*HEADER    ELECTRON TRANSPORT                      08-JAN-13   2M33              
*TITLE     SOLUTION NMR STRUCTURE OF FULL-LENGTH OXIDIZED MICROSOMAL RABBIT      
*TITLE    2 CYTOCHROME B5                                                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CYTOCHROME B5;                                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 1-104;                                        
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS;                          
*SOURCE   3 ORGANISM_COMMON: RABBIT;                                             
*SOURCE   4 ORGANISM_TAXID: 9986;                                                
*SOURCE   5 GENE: CYB5A, CYB5;                                                   
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PSC                                       
*KEYWDS    MEMBRANE PROTEIN, HEME, HADDOCK, ELECTRON TRANSPORT                   
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    23                                                                    
*AUTHOR    V.SUBRAMANIAN, S.AHUJA, N.POPOVYCH, R.HUANG, S.V.LE CLAIR, N.JAHR,    
*AUTHOR   2 R.SOONG, J.XU, K.YAMAMOTO, R.P.NANGA, S.IM, L.WASKELL, A.RAMAMOORTHY 
*REVDAT   1   06-FEB-13 2M33    0                                                


 53 GLU  HA     53 GLU  HG3     3.98            #peak     9 #SUP  0.98  #QF  0.98
 53 GLU  HA     53 GLU  HB3     2.89            #peak    10 #SUP  0.97  #QF  0.97
 53 GLU  HA     53 GLU  HB2     2.98            #peak    11 #SUP  0.99  #QF  0.99
 54 GLN  HA     54 GLN  HG2     3.80            #peak    15 #SUP  0.94  #QF  0.94
 54 GLN  HA     54 GLN  HG3     4.05            #peak    16 #SUP  0.96  #QF  0.96
  7 LYS  HA      7 LYS  QD      2.98            #peak    26 #SUP  0.84  #QF  0.84
  7 LYS  HA      7 LYS  HB3     2.80            #peak    28 #SUP  0.96  #QF  0.96
  7 LYS  HA      7 LYS  QE      4.09            #peak    30 #SUP  0.98  #QF  0.98
  9 VAL  HA      9 VAL  HB      3.00            #peak    36 #SUP  0.99  #QF  0.99
  9 VAL  HA      9 VAL  QG1     3.27            #peak    37 #SUP  0.99  #QF  0.99
 10 LYS  HA     10 LYS  HG2     3.98            #peak    41 #SUP  1.00
 10 LYS  HA     10 LYS  HG3     3.98            #peak    42 #SUP  1.00
 10 LYS  HA     11 TYR  HB2     4.43            #peak    44 #SUP  0.99  #QF  0.99
  9 VAL  HA     10 LYS  HA      4.66            #peak    45 #SUP  1.00
 10 LYS  HA     11 TYR  HA      4.42            #peak    46 #SUP  0.98  #QF  0.98
 10 LYS  HA     11 TYR  QD      4.41            #peak    47 #SUP  0.96  #QF  0.96
 10 LYS  HA     83 GLU  H       5.13            #peak    50 #SUP  0.91  #QF  0.91
 11 TYR  HA     85 HIS  HA      4.57            #peak    54 #SUP  0.95  #QF  0.95
 10 LYS  HG3    12 TYR  HA      4.83            #peak    57 #SUP  0.97  #QF  0.20
 12 TYR  HA     13 THR  QG2     5.06            #peak    57 #SUP  0.97  #QF  0.20
 13 THR  HA     13 THR  QG2     3.56            #peak    62 #SUP  0.99  #QF  0.99
 13 THR  HA     14 LEU  H       3.35            #peak    63 #SUP  0.98  #QF  0.98
 12 TYR  HA     13 THR  HA      4.44            #peak    66 #SUP  0.96  #QF  0.96
 13 THR  HA     85 HIS  H       4.47            #peak    67 #SUP  0.93  #QF  0.93
 14 LEU  HA     14 LEU  QD1     4.39            #peak    70 #SUP  0.98  #QF  0.98
 52 ARG  QG     53 GLU  HA      4.13            #peak    71 #SUP  0.79  #QF  0.79
 15 GLU  HA     15 GLU  QG      3.34            #peak    73 #SUP  0.98  #QF  0.98
 15 GLU  HA     18 LYS  QD      3.64            #peak    75 #SUP  0.26  #QF  0.26
 15 GLU  HA     19 LYS  QE      4.40            #peak    77 #SUP  0.34  #QF  0.34
 16 GLU  HA     19 LYS  QE      3.92            #peak    82 #SUP  0.92  #QF  0.92
 18 LYS  HA     18 LYS  QD      4.05            #peak    89 #SUP  0.97  #QF  0.97
 18 LYS  HA     56 GLY  HA3     3.66            #peak    92 #SUP  0.91  #QF  0.91
 18 LYS  HA     56 GLY  HA2     3.66            #peak    93 #SUP  0.90  #QF  0.90
 19 LYS  HA     19 LYS  QG      3.40            #peak    96 #SUP  0.99  #QF  0.99
 19 LYS  HA     19 LYS  QE      4.45            #peak    97 #SUP  0.93  #QF  0.93
 20 HIS  HA     21 ASN  HA      4.95            #peak   101 #SUP  0.94  #QF  0.94
 21 ASN  HA     26 THR  HA      4.35            #peak   106 #SUP  0.94  #QF  0.94
 21 ASN  HA     55 ALA  QB      3.36            #peak   111 #SUP  0.98  #QF  0.98
 21 ASN  HA     26 THR  QG2     4.50            #peak   112 #SUP  0.97  #QF  0.97
 24 LYS  HA     24 LYS  QD      3.99            #peak   122 #SUP  0.99  #QF  0.99
 24 LYS  HA     38 THR  QG2     3.93            #peak   123 #SUP  0.92  #QF  0.92
 25 SER  HA     38 THR  QG2     3.78            #peak   128 #SUP  0.97  #QF  0.97
 26 THR  HA     26 THR  QG2     3.78            #peak   130 #SUP  1.00
 26 THR  HA     27 TRP  HA      4.48            #peak   137 #SUP  0.95  #QF  0.95
 29 ILE  HA     34 VAL  HA      3.88            #peak   147 #SUP  0.97  #QF  0.97
 34 VAL  HA     34 VAL  QG1     4.00            #peak   149 #SUP  0.90  #QF  0.90
 34 VAL  HA     34 VAL  QG2     4.05            #peak   150 #SUP  0.99  #QF  0.30
 34 VAL  HA     35 TYR  H       3.39            #peak   152 #SUP  0.98  #QF  0.98
 27 TRP  HA     36 ASP  HA      3.78            #peak   158 #SUP  0.99  #QF  0.99
 27 TRP  HE1    36 ASP  HA      4.52            #peak   160 #SUP  1.00  #QF  0.97
 37 LEU  HA     40 PHE  H       3.98            #peak   164 #SUP  0.97  #QF  0.97
 38 THR  HA     41 LEU  QD1     3.42            #peak   165 #SUP  1.00
 38 THR  HA     41 LEU  HG      4.15            #peak   166 #SUP  0.98  #QF  0.98
 39 LYS  HA     39 LYS  QD      4.07            #peak   174 #SUP  0.94  #QF  0.94
 39 LYS  HA     39 LYS  QG      3.30            #peak   175 #SUP  0.72  #QF  0.72
 40 PHE  HA     43 GLU  HB3     3.92            #peak   178 #SUP  0.93  #QF  0.93
 40 PHE  HA     40 PHE  HD1     3.31            #peak   180 #SUP  0.75  #QF  0.75
 42 GLU  HA     42 GLU  HB3     3.01            #peak   190 #SUP  0.99  #QF  0.99
 42 GLU  HA     48 GLU  HB2     3.71            #peak   192 #SUP  0.89  #QF  0.89
 43 GLU  HA     43 GLU  QG      3.62            #peak   196 #SUP  0.99  #QF  0.46
 47 GLY  H      48 GLU  HA      5.02            #peak   202 #SUP  0.43  #QF  0.43
 49 GLU  HA     49 GLU  QG      3.25            #peak   207 #SUP  0.96  #QF  0.96
 49 GLU  HA     52 ARG  QB      3.74            #peak   211 #SUP  0.92  #QF  0.92
 50 VAL  HA     53 GLU  HB3     3.97            #peak   218 #SUP  0.84  #QF  0.84
 50 VAL  HA     53 GLU  HB2     4.99            #peak   222 #SUP  0.96  #QF  0.96
 51 LEU  H      52 ARG  HA      5.16            #peak   230 #SUP  0.97  #QF  0.97
 49 GLU  HA     52 ARG  HA      5.50            #peak   232 #SUP  0.99  #QF  0.99
 26 THR  QG2    52 ARG  HA      3.93            #peak   234 #SUP  0.74  #QF  0.74
 28 LEU  HB3    55 ALA  HA      5.50            #peak   237 #SUP  0.99  #QF  0.99
 52 ARG  HA     55 ALA  HA      4.97            #peak   241 #SUP  1.00  #QF  0.76
 28 LEU  HA     55 ALA  HA      4.45            #peak   242 #SUP  0.97  #QF  0.97
 54 GLN  H      55 ALA  HA      4.71            #peak   243 #SUP  0.95  #QF  0.95
 58 ASP  HA     59 ALA  HA      4.69            #peak   261 #SUP  0.98  #QF  0.98
 28 LEU  QD2    59 ALA  HA      5.50            #peak   262 #SUP  0.85  #QF  0.85
 28 LEU  QD1    59 ALA  HA      5.50            #peak   263 #SUP  0.91  #QF  0.91
 54 GLN  HB3    59 ALA  HA      4.45            #peak   264 #SUP  0.98  #QF  0.98
 54 GLN  HG3    59 ALA  HA      4.69            #peak   265 #SUP  0.98  #QF  0.98
 30 LEU  HA     60 THR  HA      4.22            #peak   268 #SUP  0.98  #QF  0.98
 60 THR  HA     62 ASN  H       4.51            #peak   269 #SUP  0.98  #QF  0.98
 61 GLU  HA     61 GLU  HG2     4.14            #peak   276 #SUP  0.96  #QF  0.96
 61 GLU  HA     64 GLU  H       3.91            #peak   285 #SUP  0.97  #QF  0.97
 60 THR  QG2    61 GLU  HA      4.09            #peak   286 #SUP  0.98  #QF  0.98
 62 ASN  HA     65 ASP  HB2     3.45            #peak   288 #SUP  0.54  #QF  0.54
 62 ASN  HA     65 ASP  HB3     5.32            #peak   289 #SUP  0.85  #QF  0.54
 65 ASP  HA     66 VAL  HA      4.84            #peak   303 #SUP  0.94  #QF  0.94
 65 ASP  HB3    66 VAL  HA      4.72            #peak   304 #SUP  0.98  #QF  0.98
 65 ASP  HB2    66 VAL  HA      5.08            #peak   305 #SUP  0.87  #QF  0.87
 73 ARG  HA     73 ARG  QG      3.96            #peak   311 #SUP  0.99  #QF  0.99
 73 ARG  HA     73 ARG  QD      4.57            #peak   316 #SUP  0.98  #QF  0.98
 73 ARG  HA     76 SER  QB      4.66            #peak   317 #SUP  0.80  #QF  0.80
 74 GLU  HA     74 GLU  HG3     3.65            #peak   319 #SUP  0.94  #QF  0.94
 73 ARG  HA     74 GLU  HA      4.89            #peak   324 #SUP  0.98  #QF  0.98
 76 SER  HA     79 PHE  QD      4.24            #peak   332 #SUP  0.71  #QF  0.71
 16 GLU  HA     19 LYS  QD      4.40            #peak   335 #SUP  0.99  #QF  0.42
 16 GLU  HA     19 LYS  QG      4.21            #peak   336 #SUP  0.99  #QF  0.52
 77 LYS  HA     80 ILE  HG22    4.70            #peak   336 #SUP  0.99  #QF  0.52
 77 LYS  HA     80 ILE  HG21    3.68            #peak   337 #SUP  0.93  #QF  0.93
 77 LYS  HA     80 ILE  QG1     5.29            #peak   340 #SUP  0.97  #QF  0.97
 78 THR  HA     78 THR  HB      2.62            #peak   341 #SUP  0.96  #QF  0.96
 78 THR  HA     78 THR  QG2     3.27            #peak   342 #SUP  1.00
 34 VAL  HA     80 ILE  HA      5.50            #peak   358 #SUP  0.87  #QF  0.67
 77 LYS  HA     80 ILE  HA      5.50            #peak   358 #SUP  0.87  #QF  0.67
 81 ILE  HA     81 ILE  HG22    3.33            #peak   361 #SUP  0.98  #QF  0.98
 10 LYS  QB     82 GLY  HA3     4.27            #peak   366 #SUP  0.95  #QF  0.95
 12 TYR  H      82 GLY  HA3     5.20            #peak   370 #SUP  1.00  #QF  0.95
 81 ILE  H      82 GLY  HA3     5.50            #peak   370 #SUP  1.00  #QF  0.95
 34 VAL  HB     82 GLY  HA3     4.76            #peak   372 #SUP  0.97  #QF  0.97
 89 ARG  HA     89 ARG  QG      3.60            #peak   375 #SUP  1.00
 41 LEU  HG     48 GLU  HB2     5.31            #peak   387 #SUP  1.00
 17 ILE  HG21   34 VAL  QG2     3.94            #peak   392 #SUP  0.58  #QF  0.58
 31 HIS  QB     60 THR  QG2     4.47            #peak   406 #SUP  0.95  #QF  0.92
 60 THR  QG2    64 GLU  HG3     5.07            #peak   406 #SUP  0.95  #QF  0.92
 60 THR  QG2    64 GLU  HG2     5.07            #peak   407 #SUP  0.94  #QF  0.94
 81 ILE  HG21   81 ILE  HD12    4.79            #peak   410 #SUP  0.45  #QF  0.45
 75 LEU  HA     78 THR  QG2     4.02            #peak   415 #SUP  0.92  #QF  0.92
 38 THR  H      41 LEU  HG      5.27            #peak   418 #SUP  0.98  #QF  0.78
 41 LEU  HG     42 GLU  H       5.50            #peak   418 #SUP  0.98  #QF  0.78
 62 ASN  HB2    64 GLU  H       5.10            #peak   428 #SUP  0.96  #QF  0.96
 77 LYS  HA     80 ILE  HB      4.56            #peak   432 #SUP  0.98  #QF  0.98
 80 ILE  HB     80 ILE  HD13    4.14            #peak   435 #SUP  1.00  #QF  0.99
 35 TYR  HA     80 ILE  HB      5.09            #peak   438 #SUP  0.94  #QF  0.94
 29 ILE  HB     58 ASP  HA      4.14            #peak   440 #SUP  0.96  #QF  0.96
 29 ILE  HB     58 ASP  H       4.33            #peak   441 #SUP  0.99  #QF  0.68
 29 ILE  HB     59 ALA  QB      5.28            #peak   443 #SUP  0.82  #QF  0.82
 41 LEU  HB3    48 GLU  HB3     4.25            #peak   449 #SUP  0.86  #QF  0.86
 41 LEU  HB3    51 LEU  QB      4.28            #peak   450 #SUP  0.30  #QF  0.30
 41 LEU  HB3    48 GLU  HB2     3.79            #peak   451 #SUP  0.93  #QF  0.83
 41 LEU  HB3    41 LEU  QD1     3.59            #peak   452 #SUP  0.80  #QF  0.80
 27 TRP  HA     28 LEU  HA      4.74            #peak   454 #SUP  0.83  #QF  0.83
 27 TRP  HA     36 ASP  HB2     4.66            #peak   455 #SUP  0.93  #QF  0.93
 47 GLY  HA2    48 GLU  HA      4.94            #peak   464 #SUP  0.94  #QF  0.94
 47 GLY  HA3    48 GLU  HA      4.94            #peak   465 #SUP  0.98  #QF  0.98
 79 PHE  HA     81 ILE  HG23    5.29            #peak   477 #SUP  0.87  #QF  0.87
 48 GLU  HA     48 GLU  QG      3.70            #peak   487 #SUP  0.96  #QF  0.96
 42 GLU  HA     48 GLU  QG      4.68            #peak   488 #SUP  0.95  #QF  0.95
 48 GLU  QG     49 GLU  HA      4.37            #peak   489 #SUP  0.98  #QF  0.98
 41 LEU  QD2    48 GLU  QG      5.14            #peak   490 #SUP  0.75  #QF  0.75
 48 GLU  QG     51 LEU  H       5.14            #peak   491 #SUP  0.89  #QF  0.89
 42 GLU  H      48 GLU  QG      5.34            #peak   492 #SUP  0.95  #QF  0.95
 48 GLU  QG     50 VAL  H       4.69            #peak   493 #SUP  0.97  #QF  0.97
 59 ALA  HA     62 ASN  HB3     4.84            #peak   503 #SUP  1.00
 59 ALA  HA     62 ASN  HB2     4.73            #peak   504 #SUP  0.99  #QF  0.99
 11 TYR  HA     83 GLU  HB3     4.98            #peak   510 #SUP  0.92  #QF  0.92
  9 VAL  HB     82 GLY  HA2     3.91            #peak   515 #SUP  0.94  #QF  0.94
  8 ASP  HA      9 VAL  HB      4.58            #peak   517 #SUP  0.98  #QF  0.98
  9 VAL  H       9 VAL  HB      3.35            #peak   518 #SUP  1.00
 69 SER  HA     70 THR  H       3.47            #peak   521 #SUP  0.99  #QF  0.99
 25 SER  HB3    26 THR  H       5.30            #peak   531 #SUP  0.99  #QF  0.99
 78 THR  HB     79 PHE  H       4.33            #peak   535 #SUP  0.99  #QF  0.99
 77 LYS  H      78 THR  HB      4.70            #peak   536 #SUP  0.91  #QF  0.91
 78 THR  HB     79 PHE  QD      5.22            #peak   537 #SUP  0.72  #QF  0.72
 75 LEU  HA     78 THR  HB      4.18            #peak   538 #SUP  0.88  #QF  0.88
 85 HIS  HA     86 PRO  HD2     3.72            #peak   539 #SUP  0.97  #QF  0.97
 31 HIS  HA     33 LYS  H       5.50            #peak   550 #SUP  0.90  #QF  0.90
 31 HIS  HA     60 THR  QG2     4.22            #peak   551 #SUP  0.96  #QF  0.96
 52 ARG  QD     53 GLU  HA      3.67            #peak   554 #SUP  0.87  #QF  0.87
 49 GLU  HA     52 ARG  QD      3.59            #peak   555 #SUP  0.98  #QF  0.98
 52 ARG  H      52 ARG  QD      4.00            #peak   556 #SUP  0.99  #QF  0.99
 52 ARG  QD     53 GLU  H       4.03            #peak   557 #SUP  1.00
 52 ARG  QB     52 ARG  QD      3.07            #peak   558 #SUP  0.97  #QF  0.97
 95 PRO  HA     96 MET  H       2.96            #peak   573 #SUP  0.66  #QF  0.66
 69 SER  HA     70 THR  HA      4.56            #peak   581 #SUP  0.95  #QF  0.95
 70 THR  HA     73 ARG  QG      4.23            #peak   582 #SUP  0.95  #QF  0.95
 70 THR  HA     73 ARG  QD      4.36            #peak   584 #SUP  0.97  #QF  0.97
 70 THR  HA     74 GLU  H       4.81            #peak   586 #SUP  0.94  #QF  0.94
 70 THR  HA     73 ARG  HA      5.50            #peak   588 #SUP  0.80  #QF  0.80
 70 THR  H      70 THR  HB      3.33            #peak   592 #SUP  0.92  #QF  0.92
 41 LEU  HB2    41 LEU  QD1     3.58            #peak   596 #SUP  0.99  #QF  0.99
 41 LEU  HB2    41 LEU  QD2     3.81            #peak   597 #SUP  1.00
 41 LEU  HB2    48 GLU  HB2     4.05            #peak   598 #SUP  1.00
 26 THR  HB     38 THR  H       4.54            #peak   602 #SUP  0.97  #QF  0.97
 70 THR  QG2    74 GLU  HG2     3.77            #peak   604 #SUP  0.97  #QF  0.97
 70 THR  QG2    74 GLU  HG3     3.77            #peak   606 #SUP  0.97  #QF  0.97
 70 THR  QG2    74 GLU  HB3     5.40            #peak   607 #SUP  0.95  #QF  0.95
 70 THR  HA     70 THR  QG2     2.93            #peak   608 #SUP  1.00  #QF  0.85
 70 THR  QG2    73 ARG  H       4.55            #peak   611 #SUP  1.00  #QF  0.99
 61 GLU  H      61 GLU  HB2     3.64            #peak   623 #SUP  0.99  #QF  0.99
133 ASP  HA    133 ASP  HB2     3.02            #peak   627 #SUP  1.00
133 ASP  HA    133 ASP  HB3     3.02            #peak   628 #SUP  0.99  #QF  0.99
132 ALA  QB    133 ASP  HA      4.32            #peak   629 #SUP  1.00
 73 ARG  H      74 GLU  HA      5.24            #peak   637 #SUP  1.00
 74 GLU  HA     76 SER  H       4.77            #peak   638 #SUP  0.99  #QF  0.99
 74 GLU  HA     77 LYS  HB2     3.60            #peak   639 #SUP  0.83  #QF  0.83
 74 GLU  HA     77 LYS  QG      4.66            #peak   640 #SUP  0.96  #QF  0.96
 34 VAL  HA     35 TYR  QD      4.04            #peak   641 #SUP  0.90  #QF  0.90
  9 VAL  HA     82 GLY  HA2     3.77            #peak   642 #SUP  0.88  #QF  0.88
  8 ASP  HA      9 VAL  HA      5.03            #peak   643 #SUP  1.00  #QF  0.99
  9 VAL  HA     81 ILE  HA      5.40            #peak   643 #SUP  1.00  #QF  0.99
 60 THR  HB     61 GLU  HB3     4.71            #peak   649 #SUP  0.91  #QF  0.91
 69 SER  HB3    71 ASP  H       4.32            #peak   654 #SUP  0.98  #QF  0.98
 82 GLY  HA2    83 GLU  HA      5.41            #peak   657 #SUP  0.89  #QF  0.68
 82 GLY  HA3    83 GLU  HA      4.63            #peak   658 #SUP  0.69  #QF  0.69
 21 ASN  H      22 HIS  HA      5.17            #peak   659 #SUP  0.98  #QF  0.98
133 ASP  H     133 ASP  HB2     3.73            #peak   663 #SUP  0.73  #QF  0.73
133 ASP  HB3   134 ASP  H       3.63            #peak   667 #SUP  0.89  #QF  0.89
 16 GLU  HB2    16 GLU  QG      2.76            #peak   694 #SUP  0.91  #QF  0.91
 16 GLU  HA     16 GLU  QG      3.68            #peak   695 #SUP  1.00
 12 TYR  QD     16 GLU  QG      3.74            #peak   698 #SUP  0.93  #QF  0.93
 41 LEU  QD2    48 GLU  HB3     5.29            #peak   724 #SUP  0.96  #QF  0.96
  9 VAL  H       9 VAL  QG2     3.97            #peak   734 #SUP  0.32  #QF  0.32
  9 VAL  QG2    83 GLU  HB2     4.28            #peak   740 #SUP  0.46  #QF  0.31
  9 VAL  QG2    83 GLU  QG      4.69            #peak   740 #SUP  0.46  #QF  0.31
  9 VAL  QG2    82 GLY  HA2     4.19            #peak   741 #SUP  0.58  #QF  0.36
  9 VAL  QG2    82 GLY  HA3     4.98            #peak   743 #SUP  0.39  #QF  0.39
  8 ASP  HA      9 VAL  QG2     5.50            #peak   744 #SUP  0.40  #QF  0.40
 54 GLN  HB3    59 ALA  QB      4.47            #peak   760 #SUP  0.96  #QF  0.96
 54 GLN  HG3    59 ALA  QB      4.78            #peak   762 #SUP  0.99  #QF  0.99
 28 LEU  QD1    59 ALA  QB      4.39            #peak   764 #SUP  0.85  #QF  0.85
 28 LEU  HB2    59 ALA  QB      5.11            #peak   765 #SUP  0.97  #QF  0.97
 30 LEU  HA     60 THR  QG2     4.53            #peak   766 #SUP  0.92  #QF  0.92
 36 ASP  HB3    81 ILE  HG22    3.97            #peak   767 #SUP  0.89  #QF  0.89
 81 ILE  HG22   81 ILE  HD12    4.05            #peak   776 #SUP  0.86  #QF  0.86
 80 ILE  HA     81 ILE  HG22    4.69            #peak   779 #SUP  0.99  #QF  0.99
 14 LEU  HA     14 LEU  QD2     4.39            #peak   783 #SUP  0.99  #QF  0.99
 42 GLU  HB3    43 GLU  H       4.52            #peak   797 #SUP  1.00
 42 GLU  HB2    43 GLU  H       4.42            #peak   799 #SUP  0.99  #QF  0.99
 12 TYR  QD     16 GLU  HB2     5.11            #peak   803 #SUP  0.77  #QF  0.77
 71 ASP  HA     74 GLU  HB2     3.94            #peak   810 #SUP  0.85  #QF  0.85
 73 ARG  QD     74 GLU  HB2     5.46            #peak   815 #SUP  0.95  #QF  0.95
 71 ASP  HA     74 GLU  HB3     5.25            #peak   820 #SUP  0.97  #QF  0.97
 74 GLU  H      74 GLU  HB3     3.65            #peak   822 #SUP  1.00
 49 GLU  HB3    50 VAL  H       4.04            #peak   825 #SUP  0.99  #QF  0.99
 42 GLU  H      42 GLU  HB2     3.79            #peak   829 #SUP  1.00
 74 GLU  HA     74 GLU  HG2     3.65            #peak   839 #SUP  0.97  #QF  0.97
 74 GLU  HG3    75 LEU  H       4.88            #peak   849 #SUP  0.89  #QF  0.89
 74 GLU  HG2    75 LEU  H       4.88            #peak   852 #SUP  0.98  #QF  0.98
 62 ASN  HB3    64 GLU  H       5.50            #peak   867 #SUP  0.95  #QF  0.78
 62 ASN  HB3    65 ASP  H       5.50            #peak   867 #SUP  0.95  #QF  0.78
 14 LEU  HA     17 ILE  HB      4.98            #peak   884 #SUP  0.83  #QF  0.83
 17 ILE  HB     18 LYS  H       4.40            #peak   887 #SUP  0.96  #QF  0.96
 21 ASN  HB3    55 ALA  QB      4.19            #peak   892 #SUP  1.00
 26 THR  QG2    55 ALA  QB      3.54            #peak   893 #SUP  0.95  #QF  0.95
 29 ILE  H      29 ILE  HG12    4.96            #peak   900 #SUP  1.00
 81 ILE  HG22   82 GLY  H       4.78            #peak   914 #SUP  0.94  #QF  0.94
 34 VAL  QG1    35 TYR  HA      5.27            #peak   917 #SUP  0.99  #QF  0.36
 34 VAL  QG1    82 GLY  HA3     5.33            #peak   917 #SUP  0.99  #QF  0.36
 34 VAL  QG1    84 LEU  HA      5.36            #peak   919 #SUP  0.90  #QF  0.90
 17 ILE  HG21   34 VAL  QG1     4.26            #peak   926 #SUP  0.97  #QF  0.92
 17 ILE  HA     34 VAL  QG1     5.19            #peak   927 #SUP  0.91  #QF  0.91
 34 VAL  QG2    84 LEU  HA      4.95            #peak   932 #SUP  0.99  #QF  0.99
 11 TYR  HA     34 VAL  QG2     4.98            #peak   933 #SUP  0.57  #QF  0.57
 38 THR  HA     38 THR  QG2     3.34            #peak   954 #SUP  1.00
 38 THR  QG2    39 LYS  HA      4.40            #peak   956 #SUP  0.99  #QF  0.96
 37 LEU  H      38 THR  QG2     4.76            #peak   959 #SUP  0.97  #QF  0.97
 26 THR  HB     38 THR  QG2     4.22            #peak   963 #SUP  0.88  #QF  0.88
103 VAL  QQG   104 ASP  H       3.80            #peak   965 #SUP  0.82  #QF  0.82
 11 TYR  HB3    86 PRO  HD3     5.21            #peak   994 #SUP  0.90  #QF  0.72
 85 HIS  HB3    86 PRO  HD3     5.44            #peak   994 #SUP  0.90  #QF  0.72
 11 TYR  HB3    86 PRO  HD2     5.21            #peak   996 #SUP  0.99  #QF  0.98
 85 HIS  HB3    86 PRO  HD2     5.44            #peak   996 #SUP  0.99  #QF  0.98
 86 PRO  HD2    88 ASP  H       5.50            #peak  1000 #SUP  0.73  #QF  0.73
 28 LEU  HB2    55 ALA  HA      5.50            #peak  1002 #SUP  0.88  #QF  0.88
 28 LEU  HB3    59 ALA  QB      5.11            #peak  1021 #SUP  0.81  #QF  0.81
 36 ASP  HB2    81 ILE  HG22    4.51            #peak  1034 #SUP  0.99  #QF  0.99
  8 ASP  HB3     9 VAL  H       3.82            #peak  1040 #SUP  0.74  #QF  0.74
 95 PRO  HD3    96 MET  H       5.50            #peak  1054 #SUP  0.99  #QF  0.99
103 VAL  HA    103 VAL  QQG     2.65            #peak  1058 #SUP  1.00
103 VAL  HA    104 ASP  H       3.13            #peak  1060 #SUP  0.79  #QF  0.79
 84 LEU  HA     89 ARG  QG      4.87            #peak  1081 #SUP  0.74  #QF  0.74
 75 LEU  HG     79 PHE  QD      4.74            #peak  1089 #SUP  0.29  #QF  0.29
 75 LEU  HG     78 THR  HB      5.50            #peak  1090 #SUP  0.84  #QF  0.84
 45 PRO  HA     46 GLY  H       3.46            #peak  1097 #SUP  0.95  #QF  0.95
 39 LYS  QG     39 LYS  QE      3.91            #peak  1103 #SUP  1.00
134 ASP  H     134 ASP  HB2     2.93            #peak  1121 #SUP  0.91  #QF  0.91
 11 TYR  QE     85 HIS  HA      4.62            #peak  1143 #SUP  1.00
 85 HIS  HA     88 ASP  H       5.02            #peak  1144 #SUP  0.99  #QF  0.99
 83 GLU  HB3    85 HIS  HA      5.50            #peak  1146 #SUP  0.95  #QF  0.41
 85 HIS  HB3    86 PRO  HA      4.96            #peak  1150 #SUP  0.89  #QF  0.89
 21 ASN  HB2    55 ALA  QB      4.61            #peak  1157 #SUP  0.92  #QF  0.92
 79 PHE  QB     79 PHE  HZ      5.41            #peak  1160 #SUP  0.97  #QF  0.97
103 VAL  H     103 VAL  HB      3.77            #peak  1179 #SUP  0.90  #QF  0.90
103 VAL  HB    104 ASP  H       4.47            #peak  1180 #SUP  0.70  #QF  0.70
 26 THR  QG2    41 LEU  QD2     3.18            #peak  1191 #SUP  0.39  #QF  0.39
 41 LEU  QD2    48 GLU  HA      3.94            #peak  1192 #SUP  0.99  #QF  0.99
 41 LEU  HA     41 LEU  QD2     3.33            #peak  1193 #SUP  0.99  #QF  0.99
 41 LEU  HB3    41 LEU  QD2     3.58            #peak  1194 #SUP  0.89  #QF  0.89
 41 LEU  QD2    51 LEU  QB      3.55            #peak  1196 #SUP  0.84  #QF  0.84
 40 PHE  H      41 LEU  QD2     4.10            #peak  1199 #SUP  1.00
 28 LEU  QD2    59 ALA  QB      4.39            #peak  1210 #SUP  0.98  #QF  0.98
 54 GLN  HB2    59 ALA  QB      5.16            #peak  1251 #SUP  1.00
 53 GLU  HG3    54 GLN  HG2     3.10            #peak  1283 #SUP  0.89  #QF  0.89
 53 GLU  H      54 GLN  HG2     4.11            #peak  1288 #SUP  0.82  #QF  0.82
 43 GLU  HB2    44 HIS  H       4.36            #peak  1297 #SUP  0.99  #QF  0.99
 34 VAL  QG2    83 GLU  HA      4.45            #peak  1312 #SUP  0.97  #QF  0.97
 33 LYS  HA     83 GLU  HA      3.78            #peak  1313 #SUP  0.91  #QF  0.91
 83 GLU  HA     83 GLU  QG      3.93            #peak  1317 #SUP  1.00
 33 LYS  QG     83 GLU  HA      4.59            #peak  1318 #SUP  0.97  #QF  0.97
 11 TYR  QE     83 GLU  HB3     4.61            #peak  1326 #SUP  0.99  #QF  0.99
 48 GLU  HB2    49 GLU  H       4.20            #peak  1334 #SUP  1.00
 48 GLU  H      48 GLU  HB2     4.13            #peak  1335 #SUP  0.97  #QF  0.97
 42 GLU  HA     48 GLU  HB3     4.37            #peak  1338 #SUP  0.95  #QF  0.95
 48 GLU  HB2    49 GLU  HA      4.91            #peak  1339 #SUP  0.96  #QF  0.96
 48 GLU  HB3    49 GLU  HA      5.50            #peak  1340 #SUP  0.97  #QF  0.97
 41 LEU  HB2    48 GLU  HB3     4.96            #peak  1342 #SUP  1.00  #QF  0.99
 42 GLU  HB2    48 GLU  HB3     5.18            #peak  1342 #SUP  1.00  #QF  0.99
 41 LEU  QD2    48 GLU  HB2     4.18            #peak  1344 #SUP  0.92  #QF  0.92
 42 GLU  HB3    48 GLU  HB3     4.26            #peak  1345 #SUP  0.97  #QF  0.97
 14 LEU  H      15 GLU  HA      5.50            #peak  1350 #SUP  0.95  #QF  0.95
 40 PHE  HA     79 PHE  QE      5.00            #peak  1356 #SUP  0.94  #QF  0.94
 27 TRP  HE3    81 ILE  HD12    4.88            #peak  1361 #SUP  0.95  #QF  0.95
 61 GLU  HB2    62 ASN  H       4.22            #peak  1362 #SUP  1.00
 53 GLU  HA     54 GLN  HG2     4.85            #peak  1389 #SUP  1.00
 29 ILE  HA     35 TYR  QD      4.21            #peak  1401 #SUP  0.97  #QF  0.97
 41 LEU  HA     48 GLU  HA      4.55            #peak  1406 #SUP  0.96  #QF  0.96
 45 PRO  HA     46 GLY  QA      4.05            #peak  1416 #SUP  0.94  #QF  0.94
 26 THR  HB     41 LEU  QD1     3.67            #peak  1421 #SUP  0.92  #QF  0.92
 26 THR  HB     38 THR  HB      3.44            #peak  1422 #SUP  0.38  #QF  0.38
 21 ASN  HA     26 THR  HB      4.86            #peak  1425 #SUP  0.76  #QF  0.76
 26 THR  HB     41 LEU  HG      4.74            #peak  1426 #SUP  0.98  #QF  0.98
 26 THR  HB     41 LEU  QD2     4.04            #peak  1427 #SUP  0.98  #QF  0.98
102 THR  H     102 THR  HB      3.73            #peak  1431 #SUP  0.89  #QF  0.77
102 THR  HB    103 VAL  H       4.21            #peak  1431 #SUP  0.89  #QF  0.77
127 TYR  HA    128 ARG  H       3.21            #peak  1448 #SUP  0.67  #QF  0.67
 11 TYR  HA     12 TYR  HA      4.55            #peak  1456 #SUP  0.83  #QF  0.83
 12 TYR  HA     16 GLU  HB2     5.50            #peak  1457 #SUP  0.74  #QF  0.74
 12 TYR  HA     34 VAL  QG2     5.41            #peak  1459 #SUP  0.67  #QF  0.67
 40 PHE  HA     44 HIS  H       4.92            #peak  1461 #SUP  0.89  #QF  0.89
 62 ASN  HA     64 GLU  H       4.43            #peak     5 #SUP  0.98  #QF  0.98
 14 LEU  H      15 GLU  H       3.34            #peak     8 #SUP  0.98  #QF  0.98
 57 GLY  HA3    58 ASP  H       3.10            #peak    12 #SUP  0.95  #QF  0.95
 57 GLY  H      58 ASP  H       4.56            #peak    13 #SUP  0.98  #QF  0.98
 58 ASP  HA     59 ALA  H       3.33            #peak    14 #SUP  0.97  #QF  0.97
 59 ALA  H      62 ASN  H       5.50            #peak    17 #SUP  0.97  #QF  0.97
 59 ALA  HA     62 ASN  H       3.78            #peak    18 #SUP  0.99  #QF  0.99
 59 ALA  HA     63 PHE  H       4.68            #peak    20 #SUP  1.00
 63 PHE  H      64 GLU  H       3.55            #peak    22 #SUP  0.98  #QF  0.98
 63 PHE  H      65 ASP  H       4.50            #peak    24 #SUP  0.94  #QF  0.94
 62 ASN  HA     65 ASP  H       3.64            #peak    25 #SUP  0.92  #QF  0.92
 64 GLU  HA     66 VAL  H       4.69            #peak    28 #SUP  0.93  #QF  0.93
 64 GLU  HA     67 GLY  H       4.35            #peak    30 #SUP  0.96  #QF  0.96
 65 ASP  HA     67 GLY  H       4.78            #peak    31 #SUP  0.94  #QF  0.94
 64 GLU  H      67 GLY  H       5.35            #peak    33 #SUP  1.00  #QF  0.30
 69 SER  H      70 THR  H       4.70            #peak    34 #SUP  0.99  #QF  0.99
 70 THR  H      70 THR  QG2     3.89            #peak    35 #SUP  0.98  #QF  0.98
 70 THR  QG2    71 ASP  H       3.90            #peak    36 #SUP  0.97  #QF  0.97
 71 ASP  H      71 ASP  HB3     3.29            #peak    37 #SUP  0.96  #QF  0.96
 71 ASP  H      71 ASP  HB2     3.29            #peak    38 #SUP  0.90  #QF  0.90
 70 THR  HB     71 ASP  H       3.18            #peak    39 #SUP  0.99  #QF  0.58
 71 ASP  H      72 ALA  H       3.49            #peak    40 #SUP  0.97  #QF  0.97
 70 THR  H      71 ASP  H       3.72            #peak    41 #SUP  0.99  #QF  0.99
 71 ASP  HB2    72 ALA  H       4.24            #peak    45 #SUP  0.89  #QF  0.89
 71 ASP  HB3    72 ALA  H       4.24            #peak    46 #SUP  0.99  #QF  0.99
 71 ASP  H      73 ARG  H       4.45            #peak    49 #SUP  0.91  #QF  0.65
 73 ARG  H      74 GLU  H       3.37            #peak    51 #SUP  0.99  #QF  0.99
 74 GLU  H      75 LEU  H       3.09            #peak    52 #SUP  0.98  #QF  0.98
 75 LEU  H      76 SER  H       3.58            #peak    56 #SUP  1.00
 76 SER  H      77 LYS  H       3.32            #peak    59 #SUP  0.98  #QF  0.98
 74 GLU  H      77 LYS  H       5.13            #peak    60 #SUP  0.98  #QF  0.98
 75 LEU  H      77 LYS  H       4.19            #peak    61 #SUP  0.93  #QF  0.93
 77 LYS  H      78 THR  H       3.07            #peak    62 #SUP  0.99  #QF  0.99
 76 SER  H      78 THR  H       4.35            #peak    63 #SUP  0.98  #QF  0.98
 78 THR  HA     79 PHE  H       3.46            #peak    67 #SUP  0.99  #QF  0.99
 78 THR  H      79 PHE  H       3.07            #peak    68 #SUP  1.00
 78 THR  HA     80 ILE  H       4.30            #peak    70 #SUP  0.96  #QF  0.96
 77 LYS  HA     80 ILE  H       3.69            #peak    71 #SUP  0.99  #QF  0.99
 74 GLU  HA     77 LYS  H       3.91            #peak    72 #SUP  0.97  #QF  0.97
 79 PHE  H      80 ILE  H       2.90            #peak    74 #SUP  0.98  #QF  0.98
 78 THR  H      80 ILE  H       4.19            #peak    75 #SUP  1.00
 81 ILE  H      82 GLY  H       2.99            #peak    77 #SUP  0.96  #QF  0.96
 82 GLY  HA2    83 GLU  H       3.17            #peak    79 #SUP  0.97  #QF  0.97
 82 GLY  H      83 GLU  H       4.48            #peak    80 #SUP  0.99  #QF  0.99
 83 GLU  H      84 LEU  H       4.60            #peak    81 #SUP  0.99  #QF  0.99
 84 LEU  H      85 HIS  H       4.77            #peak    86 #SUP  1.00
 87 ASP  H      88 ASP  H       3.19            #peak    87 #SUP  0.97  #QF  0.97
 87 ASP  HA     89 ARG  H       4.41            #peak    91 #SUP  0.91  #QF  0.91
 88 ASP  H      89 ARG  H       3.01            #peak    92 #SUP  0.98  #QF  0.98
 87 ASP  H      89 ARG  H       3.97            #peak    93 #SUP  0.98  #QF  0.98
 48 GLU  H      49 GLU  H       3.74            #peak    94 #SUP  1.00
 49 GLU  H      50 VAL  H       3.55            #peak    96 #SUP  0.99  #QF  0.99
 48 GLU  H      50 VAL  H       4.62            #peak    98 #SUP  0.99  #QF  0.99
 50 VAL  H      51 LEU  H       3.68            #peak   102 #SUP  1.00
 50 VAL  HA     52 ARG  H       4.70            #peak   104 #SUP  0.99  #QF  0.99
 51 LEU  H      52 ARG  H       3.06            #peak   106 #SUP  0.97  #QF  0.97
 50 VAL  H      52 ARG  H       4.18            #peak   107 #SUP  0.99  #QF  0.99
 53 GLU  H      53 GLU  HA      2.86            #peak   110 #SUP  0.99  #QF  0.99
 50 VAL  HA     53 GLU  H       4.07            #peak   111 #SUP  0.99  #QF  0.99
 52 ARG  H      53 GLU  H       3.18            #peak   112 #SUP  0.99  #QF  0.99
 51 LEU  H      53 GLU  H       4.04            #peak   113 #SUP  1.00
 50 VAL  H      53 GLU  H       4.95            #peak   114 #SUP  1.00
 53 GLU  H      54 GLN  H       3.06            #peak   115 #SUP  1.00
 52 ARG  H      54 GLN  H       4.06            #peak   116 #SUP  0.98  #QF  0.98
 53 GLU  HA     54 GLN  H       3.46            #peak   118 #SUP  1.00
 52 ARG  HA     54 GLN  H       3.87            #peak   119 #SUP  0.99  #QF  0.99
 54 GLN  H      55 ALA  H       2.56            #peak   121 #SUP  0.98  #QF  0.98
 53 GLU  H      55 ALA  H       4.15            #peak   122 #SUP  0.99  #QF  0.99
 52 ARG  H      55 ALA  H       4.96            #peak   123 #SUP  0.99  #QF  0.99
 54 GLN  HA     55 ALA  H       3.47            #peak   125 #SUP  0.99  #QF  0.99
 53 GLU  HA     55 ALA  H       4.18            #peak   126 #SUP  0.91  #QF  0.91
 52 ARG  HA     55 ALA  H       3.35            #peak   127 #SUP  0.98  #QF  0.98
 55 ALA  H      56 GLY  H       4.74            #peak   128 #SUP  0.99  #QF  0.99
 55 ALA  HA     56 GLY  H       3.05            #peak   130 #SUP  1.00
 55 ALA  QB     56 GLY  H       3.43            #peak   131 #SUP  1.00
 55 ALA  HA     57 GLY  H       3.59            #peak   132 #SUP  0.95  #QF  0.95
 56 GLY  H      57 GLY  H       2.86            #peak   134 #SUP  0.95  #QF  0.95
 55 ALA  H      57 GLY  H       5.18            #peak   136 #SUP  0.99  #QF  0.99
 20 HIS  HA     21 ASN  H       3.40            #peak   141 #SUP  0.99  #QF  0.99
 20 HIS  H      21 ASN  H       3.57            #peak   142 #SUP  0.98  #QF  0.98
 20 HIS  HA     22 HIS  H       3.87            #peak   145 #SUP  0.97  #QF  0.97
 21 ASN  H      22 HIS  H       3.71            #peak   146 #SUP  0.92  #QF  0.92
 21 ASN  HA     22 HIS  H       3.04            #peak   147 #SUP  0.90  #QF  0.90
 24 LYS  HA     25 SER  H       3.32            #peak   149 #SUP  0.98  #QF  0.98
 22 HIS  H      24 LYS  H       4.53            #peak   150 #SUP  0.97  #QF  0.97
 24 LYS  H      25 SER  H       3.13            #peak   153 #SUP  0.96  #QF  0.96
 22 HIS  H      25 SER  H       3.74            #peak   154 #SUP  0.99  #QF  0.99
 23 SER  H      25 SER  H       3.07            #peak   155 #SUP  0.98  #QF  0.59
 26 THR  H      38 THR  H       4.85            #peak   157 #SUP  0.89  #QF  0.89
 47 GLY  H      48 GLU  H       4.49            #peak   160 #SUP  0.95  #QF  0.95
 43 GLU  H      44 HIS  H       2.94            #peak   161 #SUP  0.99  #QF  0.99
 34 VAL  H      82 GLY  H       3.88            #peak   162 #SUP  0.99  #QF  0.99
 15 GLU  H      16 GLU  H       3.13            #peak   164 #SUP  1.00
 14 LEU  H      16 GLU  H       4.30            #peak   165 #SUP  0.99  #QF  0.99
 16 GLU  H      17 ILE  H       3.22            #peak   166 #SUP  0.99  #QF  0.99
 16 GLU  H      18 LYS  H       3.86            #peak   167 #SUP  1.00
 16 GLU  H      19 LYS  H       5.38            #peak   169 #SUP  1.00
  8 ASP  H       8 ASP  HB3     4.02            #peak   171 #SUP  0.85  #QF  0.85
  8 ASP  H       8 ASP  HB2     4.02            #peak   172 #SUP  0.82  #QF  0.82
  8 ASP  HB2     9 VAL  H       3.82            #peak   176 #SUP  0.84  #QF  0.84
  8 ASP  HA      9 VAL  H       2.40            #peak   178 #SUP  0.97  #QF  0.97
  9 VAL  H      10 LYS  H       4.08            #peak   180 #SUP  0.91  #QF  0.91
  9 VAL  HA     10 LYS  H       2.40            #peak   182 #SUP  0.94  #QF  0.94
 10 LYS  H      81 ILE  HA      5.32            #peak   183 #SUP  0.76  #QF  0.76
  7 LYS  HA      8 ASP  H       2.69            #peak   184 #SUP  0.84  #QF  0.84
 12 TYR  H      13 THR  H       4.73            #peak   187 #SUP  0.98  #QF  0.98
 72 ALA  H      74 GLU  H       4.26            #peak   188 #SUP  0.94  #QF  0.94
 66 VAL  H      67 GLY  H       3.68            #peak   191 #SUP  0.98  #QF  0.98
 42 GLU  H      44 HIS  H       4.40            #peak   192 #SUP  1.00
 12 TYR  H      83 GLU  H       3.42            #peak   193 #SUP  0.70  #QF  0.70
 38 THR  H      39 LYS  H       3.90            #peak   196 #SUP  0.99  #QF  0.99
 62 ASN  H      64 GLU  H       4.04            #peak   197 #SUP  0.99  #QF  0.99
 25 SER  H      26 THR  H       3.72            #peak   199 #SUP  0.99  #QF  0.99
 28 LEU  H      35 TYR  H       3.64            #peak   202 #SUP  0.98  #QF  0.98
 11 TYR  H      12 TYR  H       4.47            #peak   211 #SUP  1.00
 17 ILE  H      18 LYS  H       3.24            #peak   214 #SUP  0.98  #QF  0.98
 37 LEU  H      38 THR  H       3.40            #peak   215 #SUP  0.99  #QF  0.99
 41 LEU  H      43 GLU  H       3.99            #peak   216 #SUP  0.88  #QF  0.88
 42 GLU  H      43 GLU  H       2.82            #peak   217 #SUP  0.96  #QF  0.96
133 ASP  H     134 ASP  H       2.61            #peak   218 #SUP  0.89  #QF  0.89
 29 ILE  H      59 ALA  H       3.64            #peak   221 #SUP  0.99  #QF  0.99
 59 ALA  H      60 THR  H       3.51            #peak   222 #SUP  0.97  #QF  0.97
 65 ASP  H      66 VAL  H       3.33            #peak   223 #SUP  0.98  #QF  0.98
 40 PHE  H      41 LEU  H       2.91            #peak   225 #SUP  0.99  #QF  0.99
 39 LYS  H      40 PHE  H       3.33            #peak   227 #SUP  0.99  #QF  0.99
 40 PHE  H      42 GLU  H       5.10            #peak   228 #SUP  0.99  #QF  0.99
 38 THR  H      40 PHE  H       4.21            #peak   229 #SUP  0.90  #QF  0.90
 10 LYS  H      83 GLU  H       4.10            #peak   230 #SUP  0.95  #QF  0.95
 62 ASN  H      63 PHE  H       3.11            #peak   232 #SUP  0.99  #QF  0.99
 29 ILE  H      57 GLY  H       4.37            #peak   233 #SUP  1.00
 18 LYS  H      19 LYS  H       3.16            #peak   235 #SUP  1.00
 41 LEU  H      42 GLU  H       3.21            #peak   237 #SUP  0.98  #QF  0.98
 60 THR  H      61 GLU  H       3.50            #peak   239 #SUP  0.99  #QF  0.99
 19 LYS  H      20 HIS  H       2.94            #peak   240 #SUP  0.98  #QF  0.98
 60 THR  H      62 ASN  H       4.07            #peak   242 #SUP  0.77  #QF  0.77
 13 THR  H      16 GLU  H       4.20            #peak   244 #SUP  0.99  #QF  0.99
 61 GLU  H      62 ASN  H       2.84            #peak   245 #SUP  0.99  #QF  0.99
 40 PHE  H      40 PHE  HD1     3.91            #peak   247 #SUP  0.88  #QF  0.88
 21 ASN  H      22 HIS  HD2     3.41            #peak   258 #SUP  0.84  #QF  0.84
 22 HIS  H      22 HIS  HD2     3.41            #peak   259 #SUP  0.95  #QF  0.95
 19 LYS  H      21 ASN  H       4.20            #peak   260 #SUP  0.83  #QF  0.83
 11 TYR  H      11 TYR  QD      3.53            #peak   266 #SUP  0.98  #QF  0.98
 11 TYR  QD     83 GLU  H       4.18            #peak   267 #SUP  0.99  #QF  0.95
 12 TYR  QD     83 GLU  H       4.47            #peak   267 #SUP  0.99  #QF  0.95
 12 TYR  H      12 TYR  QD      3.39            #peak   268 #SUP  0.97  #QF  0.97
 12 TYR  QD     13 THR  H       3.71            #peak   269 #SUP  0.99  #QF  0.99
 12 TYR  QD     82 GLY  H       4.52            #peak   270 #SUP  0.95  #QF  0.95
 54 GLN  HE21   62 ASN  HD22    4.46            #peak   276 #SUP  0.99  #QF  0.99
 54 GLN  H      54 GLN  HE22    5.06            #peak   280 #SUP  1.00
 35 TYR  H      35 TYR  QD      3.75            #peak   281 #SUP  0.98  #QF  0.98
 35 TYR  QD     79 PHE  H       3.71            #peak   283 #SUP  0.99  #QF  0.99
 21 ASN  H      21 ASN  HD21    4.24            #peak   285 #SUP  0.91  #QF  0.91
 12 TYR  QE     83 GLU  H       5.18            #peak   288 #SUP  0.98  #QF  0.98
 12 TYR  QE     82 GLY  H       4.68            #peak   289 #SUP  0.97  #QF  0.97
 30 LEU  H      35 TYR  QE      3.34            #peak   290 #SUP  0.96  #QF  0.96
 54 GLN  HE22   62 ASN  HD21    3.89            #peak   291 #SUP  0.95  #QF  0.95
 47 GLY  HA2    49 GLU  H       4.67            #peak   296 #SUP  0.93  #QF  0.93
 27 TRP  HA     37 LEU  H       3.94            #peak   297 #SUP  0.99  #QF  0.99
 27 TRP  HA     28 LEU  H       3.12            #peak   298 #SUP  0.97  #QF  0.97
 11 TYR  HA     83 GLU  H       3.67            #peak   303 #SUP  0.97  #QF  0.97
 11 TYR  HA     12 TYR  H       2.98            #peak   304 #SUP  0.95  #QF  0.95
 40 PHE  HA     43 GLU  H       3.83            #peak   308 #SUP  0.99  #QF  0.99
 40 PHE  HA     42 GLU  H       4.68            #peak   309 #SUP  1.00
 65 ASP  H      65 ASP  HB2     3.09            #peak   310 #SUP  0.80  #QF  0.80
 65 ASP  HB2    66 VAL  H       3.69            #peak   312 #SUP  0.97  #QF  0.97
 65 ASP  HB3    66 VAL  H       3.74            #peak   313 #SUP  0.97  #QF  0.97
  7 LYS  H       7 LYS  QD      3.51            #peak   315 #SUP  0.98  #QF  0.98
  7 LYS  H       7 LYS  HB2     2.83            #peak   316 #SUP  0.79  #QF  0.79
  7 LYS  H       7 LYS  HB3     3.81            #peak   317 #SUP  1.00
  7 LYS  HB3     8 ASP  H       3.84            #peak   319 #SUP  0.97  #QF  0.97
  7 LYS  HB2     8 ASP  H       4.71            #peak   320 #SUP  0.99  #QF  0.99
  7 LYS  QD      8 ASP  H       4.84            #peak   321 #SUP  0.98  #QF  0.98
 12 TYR  HA     13 THR  H       2.85            #peak   323 #SUP  0.94  #QF  0.94
 13 THR  H      13 THR  QG2     3.37            #peak   324 #SUP  0.94  #QF  0.94
 11 TYR  HB3    12 TYR  H       4.02            #peak   325 #SUP  0.99  #QF  0.99
 11 TYR  HB2    12 TYR  H       4.67            #peak   326 #SUP  1.00
 12 TYR  H      12 TYR  HB3     3.92            #peak   327 #SUP  0.98  #QF  0.98
 12 TYR  H      12 TYR  HB2     3.92            #peak   328 #SUP  0.99  #QF  0.99
 13 THR  H      16 GLU  HB3     3.53            #peak   330 #SUP  0.96  #QF  0.96
 13 THR  H      14 LEU  H       4.68            #peak   331 #SUP  0.99  #QF  0.99
 10 LYS  H      82 GLY  HA3     4.10            #peak   332 #SUP  0.97  #QF  0.97
 13 THR  HA     15 GLU  H       4.32            #peak   335 #SUP  0.99  #QF  0.99
 13 THR  HA     16 GLU  H       4.45            #peak   336 #SUP  0.96  #QF  0.96
 13 THR  QG2    14 LEU  H       3.91            #peak   339 #SUP  0.99  #QF  0.99
  9 VAL  H       9 VAL  QG1     2.43            #peak   341 #SUP  0.68  #QF  0.68
  9 VAL  QG2    10 LYS  H       2.98            #peak   343 #SUP  0.46  #QF  0.46
 10 LYS  H      10 LYS  QB      2.71            #peak   345 #SUP  0.82  #QF  0.82
 14 LEU  HA     17 ILE  H       4.11            #peak   347 #SUP  0.97  #QF  0.97
 14 LEU  HA     18 LYS  H       4.50            #peak   350 #SUP  0.96  #QF  0.96
 15 GLU  HA     18 LYS  H       3.97            #peak   351 #SUP  0.99  #QF  0.99
 17 ILE  H      19 LYS  H       4.43            #peak   354 #SUP  0.95  #QF  0.95
 17 ILE  HA     19 LYS  H       3.90            #peak   355 #SUP  0.95  #QF  0.95
 22 HIS  H      26 THR  H       4.86            #peak   358 #SUP  0.89  #QF  0.89
 27 TRP  HB3    28 LEU  H       3.51            #peak   360 #SUP  0.94  #QF  0.94
 14 LEU  H      14 LEU  QD1     4.00            #peak   362 #SUP  0.98  #QF  0.98
 14 LEU  H      14 LEU  QD2     4.00            #peak   363 #SUP  1.00
 14 LEU  H      14 LEU  HB3     3.79            #peak   364 #SUP  0.99  #QF  0.99
 14 LEU  H      14 LEU  HB2     3.79            #peak   365 #SUP  0.99  #QF  0.99
 14 LEU  QD1    15 GLU  H       4.40            #peak   366 #SUP  0.99  #QF  0.99
 13 THR  QG2    15 GLU  H       4.10            #peak   367 #SUP  0.93  #QF  0.93
 27 TRP  H      27 TRP  HB2     3.87            #peak   370 #SUP  0.99  #QF  0.66
 27 TRP  H      56 GLY  H       4.32            #peak   371 #SUP  0.99  #QF  0.99
 27 TRP  H      28 LEU  H       4.75            #peak   372 #SUP  0.96  #QF  0.96
 27 TRP  H      55 ALA  HA      4.62            #peak   373 #SUP  0.98  #QF  0.98
 27 TRP  H      55 ALA  QB      4.01            #peak   374 #SUP  0.98  #QF  0.98
 28 LEU  H      29 ILE  H       4.57            #peak   378 #SUP  0.81  #QF  0.81
 11 TYR  H      11 TYR  HB2     3.33            #peak   379 #SUP  0.98  #QF  0.98
 12 TYR  H      84 LEU  HA      3.93            #peak   380 #SUP  0.70  #QF  0.70
 15 GLU  H      18 LYS  H       5.08            #peak   381 #SUP  0.98  #QF  0.98
 17 ILE  HA     20 HIS  H       4.12            #peak   383 #SUP  0.87  #QF  0.87
 29 ILE  H      58 ASP  HA      3.59            #peak   386 #SUP  0.90  #QF  0.90
 30 LEU  HA     31 HIS  H       3.47            #peak   388 #SUP  0.99  #QF  0.99
 34 VAL  H      83 GLU  HA      3.81            #peak   389 #SUP  1.00
 39 LYS  H      41 LEU  H       4.30            #peak   393 #SUP  0.99  #QF  0.99
 37 LEU  H      39 LYS  H       5.14            #peak   394 #SUP  0.97  #QF  0.97
 85 HIS  H      88 ASP  H       4.97            #peak   399 #SUP  1.00
 58 ASP  H      58 ASP  HB3     3.79            #peak   400 #SUP  0.98  #QF  0.98
 58 ASP  H      58 ASP  HB2     3.79            #peak   401 #SUP  0.98  #QF  0.98
 58 ASP  HB3    59 ALA  H       4.23            #peak   402 #SUP  0.99  #QF  0.99
 58 ASP  HB2    59 ALA  H       4.23            #peak   403 #SUP  0.99  #QF  0.99
 30 LEU  HA     60 THR  H       4.23            #peak   404 #SUP  1.00  #QF  0.68
 58 ASP  HA     60 THR  H       4.13            #peak   405 #SUP  0.86  #QF  0.86
 61 GLU  H      61 GLU  HG2     3.76            #peak   409 #SUP  0.98  #QF  0.98
 61 GLU  H      61 GLU  HG3     3.76            #peak   410 #SUP  0.99  #QF  0.99
 61 GLU  H      61 GLU  HB3     2.79            #peak   411 #SUP  0.70  #QF  0.70
 61 GLU  HG2    62 ASN  H       3.98            #peak   413 #SUP  0.97  #QF  0.97
 61 GLU  HG3    62 ASN  H       3.98            #peak   414 #SUP  0.97  #QF  0.97
 61 GLU  H      63 PHE  H       4.27            #peak   418 #SUP  0.94  #QF  0.94
 59 ALA  HA     61 GLU  H       4.15            #peak   419 #SUP  0.99  #QF  0.99
 79 PHE  H      79 PHE  QB      3.34            #peak   422 #SUP  1.00
 79 PHE  QB     80 ILE  H       4.09            #peak   423 #SUP  1.00
 74 GLU  H      76 SER  H       4.43            #peak   424 #SUP  0.99  #QF  0.99
 61 GLU  HA     65 ASP  H       4.71            #peak   426 #SUP  0.93  #QF  0.93
 73 ARG  HA     76 SER  H       4.14            #peak   431 #SUP  0.92  #QF  0.92
 73 ARG  HA     77 LYS  H       5.49            #peak   432 #SUP  0.99  #QF  0.99
 71 ASP  HA     74 GLU  H       3.96            #peak   433 #SUP  0.94  #QF  0.94
 73 ARG  H      73 ARG  QD      4.46            #peak   434 #SUP  0.99  #QF  0.99
 73 ARG  H      73 ARG  HB3     3.97            #peak   436 #SUP  0.99  #QF  0.99
 73 ARG  H      73 ARG  QG      4.15            #peak   437 #SUP  0.99  #QF  0.99
 73 ARG  HB3    74 GLU  H       4.24            #peak   438 #SUP  1.00
 73 ARG  HB2    74 GLU  H       4.24            #peak   439 #SUP  0.99  #QF  0.99
 74 GLU  H      74 GLU  HG2     3.32            #peak   440 #SUP  0.98  #QF  0.98
 74 GLU  H      74 GLU  HG3     3.32            #peak   441 #SUP  0.99  #QF  0.99
 74 GLU  H      74 GLU  HB2     3.18            #peak   443 #SUP  0.99  #QF  0.99
 73 ARG  QD     74 GLU  H       4.19            #peak   444 #SUP  0.97  #QF  0.97
 72 ALA  H      73 ARG  H       3.57            #peak   445 #SUP  0.91  #QF  0.91
 75 LEU  HA     77 LYS  H       4.18            #peak   446 #SUP  0.98  #QF  0.98
 75 LEU  HA     78 THR  H       4.15            #peak   448 #SUP  0.98  #QF  0.98
 77 LYS  HA     79 PHE  H       4.12            #peak   449 #SUP  0.96  #QF  0.96
 80 ILE  H      81 ILE  H       4.61            #peak   450 #SUP  0.82  #QF  0.82
 81 ILE  H      82 GLY  HA2     4.64            #peak   451 #SUP  0.96  #QF  0.96
  9 VAL  H      10 LYS  HA      4.76            #peak   455 #SUP  0.93  #QF  0.93
 22 HIS  H      26 THR  HA      3.62            #peak   457 #SUP  0.86  #QF  0.86
 25 SER  HA     26 THR  H       3.40            #peak   461 #SUP  0.98  #QF  0.98
 55 ALA  H      55 ALA  QB      2.49            #peak   464 #SUP  0.83  #QF  0.83
 18 LYS  H      20 HIS  H       4.38            #peak   466 #SUP  0.99  #QF  0.99
 17 ILE  H      17 ILE  HG13    3.22            #peak   467 #SUP  0.95  #QF  0.29
 17 ILE  HG13   18 LYS  H       3.36            #peak   468 #SUP  0.96  #QF  0.85
 17 ILE  QD1    56 GLY  H       4.37            #peak   469 #SUP  0.91  #QF  0.91
 17 ILE  QD1    57 GLY  H       3.90            #peak   470 #SUP  0.77  #QF  0.77
 16 GLU  H      17 ILE  HG13    4.20            #peak   471 #SUP  0.90  #QF  0.90
 16 GLU  HA     19 LYS  H       3.95            #peak   472 #SUP  0.99  #QF  0.99
 15 GLU  H      17 ILE  HG13    4.87            #peak   473 #SUP  0.95  #QF  0.95
 14 LEU  H      17 ILE  HG12    5.15            #peak   474 #SUP  0.85  #QF  0.74
 14 LEU  H      17 ILE  HG13    5.50            #peak   474 #SUP  0.85  #QF  0.74
 88 ASP  H      88 ASP  HB3     4.06            #peak   475 #SUP  1.00  #QF  0.29
 14 LEU  H      88 ASP  HB3     5.28            #peak   476 #SUP  0.89  #QF  0.89
 14 LEU  H      88 ASP  HB2     5.28            #peak   477 #SUP  0.95  #QF  0.95
 13 THR  H      16 GLU  HB2     3.69            #peak   478 #SUP  0.98  #QF  0.98
 15 GLU  QG     16 GLU  H       3.40            #peak   479 #SUP  0.94  #QF  0.29
 16 GLU  H      16 GLU  HB2     3.50            #peak   479 #SUP  0.94  #QF  0.29
 13 THR  H      17 ILE  HG21    4.87            #peak   480 #SUP  0.98  #QF  0.98
 84 LEU  HA     85 HIS  H       3.42            #peak   481 #SUP  0.98  #QF  0.64
 13 THR  QG2    16 GLU  H       4.51            #peak   482 #SUP  0.99  #QF  0.99
 13 THR  QG2    85 HIS  H       4.96            #peak   483 #SUP  0.93  #QF  0.93
 34 VAL  H      34 VAL  QG2     3.46            #peak   485 #SUP  0.94  #QF  0.94
 12 TYR  H      83 GLU  HB2     4.93            #peak   486 #SUP  0.93  #QF  0.93
 10 LYS  QB     12 TYR  H       5.50            #peak   487 #SUP  1.00
 16 GLU  H      16 GLU  HB3     3.11            #peak   488 #SUP  0.96  #QF  0.96
 11 TYR  HA     85 HIS  H       5.50            #peak   489 #SUP  0.97  #QF  0.97
 11 TYR  H      11 TYR  HB3     3.73            #peak   490 #SUP  1.00
 10 LYS  H      82 GLY  HA2     3.17            #peak   491 #SUP  1.00
  9 VAL  QG2    83 GLU  H       3.80            #peak   493 #SUP  0.45  #QF  0.45
 62 ASN  H      65 ASP  H       5.03            #peak   495 #SUP  0.99  #QF  0.99
 69 SER  HA     71 ASP  H       4.45            #peak   497 #SUP  0.94  #QF  0.94
 72 ALA  HA     75 LEU  H       4.11            #peak   499 #SUP  0.73  #QF  0.73
 85 HIS  H      85 HIS  HB2     3.79            #peak   500 #SUP  0.98  #QF  0.98
 85 HIS  H      85 HIS  HB3     3.80            #peak   501 #SUP  0.98  #QF  0.98
 88 ASP  H      88 ASP  HB2     4.06            #peak   502 #SUP  0.80  #QF  0.80
 12 TYR  H      85 HIS  H       4.68            #peak   503 #SUP  0.95  #QF  0.95
 85 HIS  HB2    88 ASP  H       4.17            #peak   504 #SUP  0.98  #QF  0.98
 88 ASP  HB3    89 ARG  H       4.51            #peak   505 #SUP  0.94  #QF  0.94
 85 HIS  HB3    89 ARG  H       5.02            #peak   506 #SUP  0.92  #QF  0.92
 85 HIS  HB3    88 ASP  H       4.02            #peak   507 #SUP  0.98  #QF  0.98
 40 PHE  H      40 PHE  HB2     3.21            #peak   509 #SUP  0.90  #QF  0.90
 40 PHE  HB2    41 LEU  H       4.08            #peak   510 #SUP  0.98  #QF  0.98
 40 PHE  H      40 PHE  HB3     3.72            #peak   511 #SUP  0.99  #QF  0.99
 40 PHE  HB3    41 LEU  H       4.36            #peak   512 #SUP  0.99  #QF  0.99
 41 LEU  H      41 LEU  HG      2.80            #peak   514 #SUP  0.97  #QF  0.97
 41 LEU  H      41 LEU  HB2     3.11            #peak   515 #SUP  1.00
 41 LEU  H      41 LEU  HB3     3.61            #peak   516 #SUP  0.90  #QF  0.90
 41 LEU  H      41 LEU  QD1     3.77            #peak   517 #SUP  0.99  #QF  0.99
 41 LEU  H      41 LEU  QD2     3.41            #peak   518 #SUP  1.00
 42 GLU  H      42 GLU  QG      2.77            #peak   520 #SUP  0.85  #QF  0.85
 41 LEU  HB2    42 GLU  H       2.50            #peak   521 #SUP  0.84  #QF  0.84
 42 GLU  H      42 GLU  HB3     2.80            #peak   522 #SUP  0.90  #QF  0.90
 41 LEU  HB3    42 GLU  H       3.24            #peak   523 #SUP  0.89  #QF  0.89
 41 LEU  QD1    42 GLU  H       4.34            #peak   524 #SUP  0.99  #QF  0.99
 42 GLU  QG     43 GLU  H       3.29            #peak   525 #SUP  0.82  #QF  0.82
 43 GLU  H      43 GLU  HB2     3.52            #peak   526 #SUP  0.98  #QF  0.98
 43 GLU  H      43 GLU  HB3     3.52            #peak   527 #SUP  0.88  #QF  0.88
 86 PRO  HD2    87 ASP  H       4.38            #peak   530 #SUP  0.77  #QF  0.77
 86 PRO  HD3    87 ASP  H       4.38            #peak   532 #SUP  0.90  #QF  0.90
 12 TYR  H      12 TYR  QE      5.41            #peak   534 #SUP  1.00
 13 THR  HB     14 LEU  H       3.59            #peak   535 #SUP  0.97  #QF  0.97
 48 GLU  HA     51 LEU  H       4.41            #peak   536 #SUP  0.97  #QF  0.97
 48 GLU  HA     52 ARG  H       4.66            #peak   537 #SUP  0.99  #QF  0.99
 48 GLU  H      48 GLU  QG      3.36            #peak   539 #SUP  0.92  #QF  0.92
 48 GLU  H      48 GLU  HB3     3.76            #peak   540 #SUP  0.98  #QF  0.98
 48 GLU  H      49 GLU  HB2     4.72            #peak   541 #SUP  1.00
 48 GLU  QG     49 GLU  H       3.66            #peak   542 #SUP  0.99  #QF  0.99
 48 GLU  HB3    49 GLU  H       3.90            #peak   543 #SUP  1.00
 49 GLU  H      49 GLU  HB2     3.45            #peak   544 #SUP  0.98  #QF  0.98
 49 GLU  H      49 GLU  QG      4.09            #peak   545 #SUP  1.00
 49 GLU  H      49 GLU  HB3     3.45            #peak   546 #SUP  0.99  #QF  0.99
 26 THR  H      26 THR  QG2     3.96            #peak   547 #SUP  0.99  #QF  0.99
 26 THR  QG2    27 TRP  H       3.50            #peak   548 #SUP  0.99  #QF  0.99
 26 THR  H      26 THR  HB      3.64            #peak   549 #SUP  0.93  #QF  0.93
 22 HIS  HB2    25 SER  H       3.93            #peak   550 #SUP  0.91  #QF  0.39
 24 LYS  H      24 LYS  HB2     3.90            #peak   551 #SUP  1.00
 24 LYS  H      24 LYS  HB3     3.90            #peak   552 #SUP  1.00
 24 LYS  H      24 LYS  QD      4.01            #peak   554 #SUP  0.98  #QF  0.98
 22 HIS  H      22 HIS  HB2     3.81            #peak   555 #SUP  0.99  #QF  0.99
 22 HIS  H      22 HIS  HB3     3.75            #peak   556 #SUP  0.96  #QF  0.96
 21 ASN  H      21 ASN  HB3     3.35            #peak   557 #SUP  0.83  #QF  0.83
 20 HIS  HB2    21 ASN  H       4.20            #peak   558 #SUP  0.99  #QF  0.24
 20 HIS  HB2    22 HIS  H       5.24            #peak   559 #SUP  1.00  #QF  0.73
 21 ASN  HB2    22 HIS  H       5.38            #peak   559 #SUP  1.00  #QF  0.73
 19 LYS  HA     20 HIS  H       3.47            #peak   560 #SUP  1.00  #QF  0.69
 20 HIS  H      20 HIS  HB2     3.79            #peak   561 #SUP  0.98  #QF  0.98
 20 HIS  H      20 HIS  HB3     3.79            #peak   562 #SUP  0.94  #QF  0.94
 19 LYS  H      19 LYS  QE      4.73            #peak   563 #SUP  0.99  #QF  0.99
 18 LYS  H      18 LYS  QB      3.91            #peak   569 #SUP  1.00
 18 LYS  H      18 LYS  QG      2.95            #peak   570 #SUP  0.73  #QF  0.73
 17 ILE  H      17 ILE  HB      3.79            #peak   571 #SUP  0.98  #QF  0.98
 17 ILE  H      17 ILE  HG22    3.67            #peak   572 #SUP  0.96  #QF  0.96
 16 GLU  H      16 GLU  QG      4.06            #peak   573 #SUP  0.98  #QF  0.98
 16 GLU  QG     17 ILE  H       4.56            #peak   574 #SUP  1.00
 15 GLU  H      15 GLU  QG      3.38            #peak   575 #SUP  0.97  #QF  0.97
 15 GLU  H      15 GLU  QB      2.69            #peak   576 #SUP  0.85  #QF  0.85
 10 LYS  H      10 LYS  QE      5.50            #peak   578 #SUP  0.99  #QF  0.99
 10 LYS  H      10 LYS  HG2     4.19            #peak   579 #SUP  0.99  #QF  0.99
 28 LEU  H      28 LEU  QD1     4.71            #peak   582 #SUP  1.00
 28 LEU  H      28 LEU  QD2     4.71            #peak   583 #SUP  0.77  #QF  0.77
 29 ILE  H      29 ILE  HB      3.44            #peak   585 #SUP  0.97  #QF  0.97
 29 ILE  H      29 ILE  HG22    4.49            #peak   586 #SUP  0.96  #QF  0.96
 29 ILE  H      29 ILE  HG13    4.96            #peak   588 #SUP  0.95  #QF  0.95
128 ARG  H     128 ARG  QD      5.33            #peak   589 #SUP  0.75  #QF  0.47
 29 ILE  HA     30 LEU  H       3.21            #peak   590 #SUP  0.81  #QF  0.81
 30 LEU  H      30 LEU  QD1     5.33            #peak   591 #SUP  0.96  #QF  0.96
 31 HIS  H      60 THR  HA      4.46            #peak   593 #SUP  0.94  #QF  0.94
 31 HIS  H      32 HIS  H       4.09            #peak   594 #SUP  0.88  #QF  0.88
 35 TYR  H      35 TYR  HB2     4.06            #peak   600 #SUP  1.00
 34 VAL  H      34 VAL  HB      3.69            #peak   603 #SUP  0.97  #QF  0.97
 34 VAL  H      34 VAL  QG1     4.16            #peak   604 #SUP  0.99  #QF  0.99
 36 ASP  HA     37 LEU  H       3.30            #peak   605 #SUP  0.96  #QF  0.96
 36 ASP  HB3    37 LEU  H       4.58            #peak   606 #SUP  0.96  #QF  0.96
 35 TYR  HB3    37 LEU  H       4.86            #peak   607 #SUP  0.98  #QF  0.43
 36 ASP  HB2    37 LEU  H       5.35            #peak   607 #SUP  0.98  #QF  0.43
 38 THR  H      38 THR  HB      3.63            #peak   613 #SUP  0.98  #QF  0.98
 38 THR  H      38 THR  QG2     3.55            #peak   614 #SUP  0.98  #QF  0.98
 36 ASP  HA     38 THR  H       4.01            #peak   615 #SUP  0.94  #QF  0.94
 38 THR  HB     39 LYS  H       4.01            #peak   616 #SUP  0.98  #QF  0.98
 39 LYS  H      39 LYS  HB2     3.83            #peak   617 #SUP  0.88  #QF  0.88
 39 LYS  H      39 LYS  HB3     3.83            #peak   618 #SUP  1.00
 39 LYS  H      39 LYS  QG      4.14            #peak   619 #SUP  0.99  #QF  0.99
 39 LYS  H      39 LYS  QD      4.72            #peak   620 #SUP  1.00
 50 VAL  H      50 VAL  HB      3.68            #peak   621 #SUP  0.98  #QF  0.98
 50 VAL  H      50 VAL  QG1     3.93            #peak   622 #SUP  0.97  #QF  0.97
 61 GLU  H      62 ASN  HB2     5.15            #peak   624 #SUP  0.28  #QF  0.28
 51 LEU  H      51 LEU  QB      3.86            #peak   626 #SUP  0.98  #QF  0.98
 52 ARG  H      52 ARG  QB      3.15            #peak   629 #SUP  0.99  #QF  0.99
 53 GLU  H      53 GLU  HB3     2.66            #peak   630 #SUP  0.96  #QF  0.96
 53 GLU  H      53 GLU  HB2     3.75            #peak   631 #SUP  0.97  #QF  0.97
 53 GLU  H      53 GLU  HG3     3.67            #peak   632 #SUP  1.00
 53 GLU  H      53 GLU  HG2     3.21            #peak   633 #SUP  0.99  #QF  0.99
 54 GLN  H      54 GLN  HB3     3.81            #peak   634 #SUP  0.98  #QF  0.98
 54 GLN  H      54 GLN  HB2     3.13            #peak   635 #SUP  0.98  #QF  0.98
 54 GLN  H      54 GLN  HG2     2.82            #peak   637 #SUP  0.97  #QF  0.97
 53 GLU  HB2    54 GLN  H       4.33            #peak   638 #SUP  1.00
 53 GLU  HG3    54 GLN  H       3.85            #peak   639 #SUP  1.00
 53 GLU  HG2    54 GLN  H       3.87            #peak   640 #SUP  0.99  #QF  0.99
 59 ALA  H      59 ALA  QB      3.30            #peak   643 #SUP  1.00
 60 THR  H      60 THR  HB      3.55            #peak   645 #SUP  0.94  #QF  0.94
 59 ALA  QB     60 THR  H       3.86            #peak   646 #SUP  1.00
 60 THR  H      60 THR  QG2     3.77            #peak   647 #SUP  1.00
 62 ASN  H      62 ASN  HB3     3.78            #peak   648 #SUP  1.00
 62 ASN  H      62 ASN  HB2     2.94            #peak   649 #SUP  0.96  #QF  0.96
 63 PHE  H      63 PHE  HB2     3.90            #peak   651 #SUP  0.93  #QF  0.93
 63 PHE  H      63 PHE  HB3     3.90            #peak   652 #SUP  0.96  #QF  0.96
 63 PHE  HA     65 ASP  H       4.42            #peak   655 #SUP  0.96  #QF  0.33
 64 GLU  H      64 GLU  HG2     4.13            #peak   656 #SUP  1.00  #QF  0.98
 64 GLU  H      64 GLU  HG3     4.13            #peak   657 #SUP  0.98  #QF  0.98
 64 GLU  H      64 GLU  HB2     3.78            #peak   658 #SUP  0.93  #QF  0.25
 64 GLU  H      64 GLU  HB3     3.78            #peak   659 #SUP  0.99  #QF  0.99
 64 GLU  HB3    65 ASP  H       4.15            #peak   660 #SUP  0.94  #QF  0.94
 64 GLU  HB2    65 ASP  H       4.15            #peak   661 #SUP  0.92  #QF  0.92
 60 THR  HB     61 GLU  H       3.54            #peak   662 #SUP  0.96  #QF  0.61
 60 THR  HB     62 ASN  H       4.80            #peak   664 #SUP  0.98  #QF  0.98
 59 ALA  QB     62 ASN  H       4.27            #peak   667 #SUP  1.00
 60 THR  QG2    63 PHE  H       4.83            #peak   668 #SUP  1.00
 60 THR  QG2    64 GLU  H       4.54            #peak   669 #SUP  0.99  #QF  0.99
 62 ASN  HB3    63 PHE  H       3.93            #peak   670 #SUP  1.00
 62 ASN  HB2    63 PHE  H       3.70            #peak   671 #SUP  0.99  #QF  0.99
 70 THR  QG2    74 GLU  H       4.29            #peak   672 #SUP  1.00
 75 LEU  H      75 LEU  HB2     3.46            #peak   673 #SUP  0.97  #QF  0.97
 75 LEU  H      75 LEU  HB3     3.46            #peak   674 #SUP  0.92  #QF  0.92
 76 SER  H      76 SER  QB      3.70            #peak   676 #SUP  1.00
 75 LEU  HB2    76 SER  H       4.11            #peak   677 #SUP  0.89  #QF  0.89
 77 LYS  H      77 LYS  HB3     3.27            #peak   678 #SUP  0.92  #QF  0.92
 77 LYS  H      77 LYS  HB2     2.72            #peak   679 #SUP  0.86  #QF  0.86
 76 SER  QB     77 LYS  H       3.97            #peak   680 #SUP  1.00
 76 SER  HA     77 LYS  H       3.55            #peak   682 #SUP  0.96  #QF  0.96
 78 THR  H      78 THR  HB      3.28            #peak   683 #SUP  0.99  #QF  0.99
 77 LYS  HB3    78 THR  H       3.83            #peak   684 #SUP  0.93  #QF  0.93
 77 LYS  HB2    78 THR  H       4.06            #peak   685 #SUP  0.99  #QF  0.99
 78 THR  H      78 THR  QG2     2.64            #peak   686 #SUP  0.92  #QF  0.92
 78 THR  QG2    79 PHE  H       3.45            #peak   689 #SUP  0.98  #QF  0.98
 80 ILE  H      80 ILE  HB      2.83            #peak   691 #SUP  0.96  #QF  0.96
 80 ILE  H      80 ILE  HG22    3.20            #peak   692 #SUP  0.99  #QF  0.99
 80 ILE  H      80 ILE  HG21    3.23            #peak   693 #SUP  0.99  #QF  0.99
 80 ILE  H      80 ILE  HG23    3.90            #peak   694 #SUP  1.00
 80 ILE  H      80 ILE  QG1     4.07            #peak   695 #SUP  1.00
 81 ILE  H      81 ILE  HG21    3.89            #peak   697 #SUP  0.49  #QF  0.49
 81 ILE  H      81 ILE  HG23    3.81            #peak   698 #SUP  0.98  #QF  0.98
 81 ILE  H      81 ILE  HG22    3.37            #peak   699 #SUP  0.88  #QF  0.88
 81 ILE  H      81 ILE  HD12    4.09            #peak   700 #SUP  0.98  #QF  0.98
 80 ILE  HA     81 ILE  H       3.25            #peak   701 #SUP  0.99  #QF  0.99
 80 ILE  HA     82 GLY  H       3.68            #peak   702 #SUP  0.99  #QF  0.99
 79 PHE  H      80 ILE  HA      4.79            #peak   703 #SUP  1.00
 80 ILE  HB     82 GLY  H       5.21            #peak   704 #SUP  1.00
 80 ILE  HD13   82 GLY  H       3.16            #peak   705 #SUP  0.55  #QF  0.55
 81 ILE  HG23   82 GLY  H       3.97            #peak   707 #SUP  0.94  #QF  0.94
 81 ILE  HD12   82 GLY  H       3.94            #peak   708 #SUP  0.99  #QF  0.99
 82 GLY  HA3    83 GLU  H       3.21            #peak   712 #SUP  0.99  #QF  0.99
 83 GLU  H      83 GLU  HB3     3.83            #peak   713 #SUP  0.99  #QF  0.99
 83 GLU  H      83 GLU  HB2     3.74            #peak   714 #SUP  1.00  #QF  0.98
 83 GLU  HB3    84 LEU  H       3.58            #peak   715 #SUP  0.90  #QF  0.90
 96 MET  HB3    97 GLU  H       4.18            #peak   719 #SUP  0.99  #QF  0.87
 96 MET  HB2    97 GLU  H       4.18            #peak   720 #SUP  0.92  #QF  0.78
 97 GLU  H      97 GLU  QG      4.51            #peak   720 #SUP  0.92  #QF  0.78
134 ASP  H     134 ASP  HB3     2.93            #peak   724 #SUP  0.91  #QF  0.91
133 ASP  HB2   134 ASP  H       3.63            #peak   725 #SUP  0.99  #QF  0.66
132 ALA  QB    134 ASP  H       3.23            #peak   726 #SUP  0.90  #QF  0.90
 98 THR  QG2    99 LEU  H       3.72            #peak   731 #SUP  0.88  #QF  0.88
 35 TYR  HA     36 ASP  H       3.07            #peak   732 #SUP  0.91  #QF  0.91
 27 TRP  HA     27 TRP  HE1     4.61            #peak   733 #SUP  0.90  #QF  0.90
 27 TRP  HE1    36 ASP  HB2     3.59            #peak   736 #SUP  0.96  #QF  0.96
 27 TRP  HE1    81 ILE  HG22    4.89            #peak   737 #SUP  0.91  #QF  0.91
 27 TRP  HE1    81 ILE  HD12    3.58            #peak   738 #SUP  0.86  #QF  0.86
126 MET  HB2   127 TYR  H       4.32            #peak   739 #SUP  0.98  #QF  0.98
126 MET  QG    127 TYR  H       4.30            #peak   740 #SUP  1.00
126 MET  HB3   127 TYR  H       4.32            #peak   741 #SUP  0.98  #QF  0.98
127 TYR  H     127 TYR  HB2     3.73            #peak   742 #SUP  0.88  #QF  0.88
127 TYR  H     127 TYR  HB3     3.73            #peak   743 #SUP  0.95  #QF  0.95
 10 LYS  H      12 TYR  QD      4.67            #peak   745 #SUP  0.88  #QF  0.88
 16 GLU  H      19 LYS  QE      5.48            #peak   746 #SUP  0.99  #QF  0.99
 19 LYS  QB     20 HIS  H       3.74            #peak   747 #SUP  0.98  #QF  0.98
 19 LYS  QG     20 HIS  H       4.75            #peak   749 #SUP  0.99  #QF  0.99
 18 LYS  HA     20 HIS  H       3.78            #peak   750 #SUP  0.94  #QF  0.94
 24 LYS  H      38 THR  QG2     5.14            #peak   751 #SUP  0.98  #QF  0.98
 24 LYS  QD     25 SER  H       4.27            #peak   752 #SUP  0.97  #QF  0.97
 24 LYS  HB3    25 SER  H       4.51            #peak   753 #SUP  1.00
 25 SER  H      38 THR  QG2     3.72            #peak   755 #SUP  0.98  #QF  0.98
 24 LYS  HB2    25 SER  H       4.51            #peak   757 #SUP  1.00
 26 THR  H      38 THR  QG2     3.56            #peak   759 #SUP  0.90  #QF  0.90
 20 HIS  HB2    27 TRP  H       4.60            #peak   760 #SUP  0.99  #QF  0.94
 21 ASN  HB2    27 TRP  H       5.00            #peak   760 #SUP  0.99  #QF  0.94
 20 HIS  HB3    27 TRP  H       4.60            #peak   761 #SUP  0.88  #QF  0.88
 26 THR  HA     27 TRP  H       3.08            #peak   762 #SUP  0.99  #QF  0.99
 28 LEU  H      34 VAL  QG1     3.94            #peak   763 #SUP  0.94  #QF  0.94
 28 LEU  H      35 TYR  HB2     4.15            #peak   765 #SUP  0.85  #QF  0.85
 28 LEU  H      36 ASP  HA      4.26            #peak   767 #SUP  0.84  #QF  0.84
 29 ILE  H      59 ALA  QB      3.94            #peak   768 #SUP  0.99  #QF  0.99
 28 LEU  QD1    29 ILE  H       4.62            #peak   769 #SUP  0.99  #QF  0.99
 28 LEU  QD2    29 ILE  H       4.62            #peak   770 #SUP  0.97  #QF  0.97
 33 LYS  HA     34 VAL  H       3.52            #peak   772 #SUP  0.99  #QF  0.99
 33 LYS  QG     34 VAL  H       3.87            #peak   773 #SUP  0.93  #QF  0.93
 33 LYS  QB     34 VAL  H       4.44            #peak   774 #SUP  0.95  #QF  0.75
 34 VAL  H      83 GLU  QG      4.79            #peak   774 #SUP  0.95  #QF  0.75
 34 VAL  H      80 ILE  HD13    3.87            #peak   775 #SUP  0.31  #QF  0.31
 29 ILE  HB     59 ALA  H       4.02            #peak   776 #SUP  0.97  #QF  0.97
 99 LEU  H      99 LEU  HG      3.17            #peak   777 #SUP  0.64  #QF  0.64
 34 VAL  QG1    35 TYR  H       4.00            #peak   778 #SUP  0.98  #QF  0.98
 34 VAL  QG2    35 TYR  H       4.32            #peak   779 #SUP  0.99  #QF  0.99
 29 ILE  HA     35 TYR  H       4.22            #peak   780 #SUP  0.98  #QF  0.98
 36 ASP  H      36 ASP  HB3     3.54            #peak   782 #SUP  0.85  #QF  0.85
 35 TYR  HB3    36 ASP  H       3.62            #peak   783 #SUP  0.98  #QF  0.91
 36 ASP  H      36 ASP  HB2     4.13            #peak   783 #SUP  0.98  #QF  0.91
 36 ASP  H      79 PHE  HA      3.89            #peak   785 #SUP  0.95  #QF  0.95
 36 ASP  H      80 ILE  HA      4.02            #peak   786 #SUP  0.99  #QF  0.99
 36 ASP  H      81 ILE  HG23    3.85            #peak   787 #SUP  0.98  #QF  0.98
 36 ASP  H      81 ILE  HD12    4.98            #peak   788 #SUP  1.00
 38 THR  QG2    39 LYS  H       3.84            #peak   790 #SUP  0.99  #QF  0.99
 42 GLU  H      48 GLU  HB2     4.06            #peak   791 #SUP  0.95  #QF  0.95
 42 GLU  HA     44 HIS  H       4.24            #peak   793 #SUP  0.99  #QF  0.52
 43 GLU  HB3    44 HIS  H       4.36            #peak   794 #SUP  0.98  #QF  0.98
 42 GLU  QG     44 HIS  H       5.14            #peak   796 #SUP  1.00  #QF  0.74
 43 GLU  QG     44 HIS  H       5.46            #peak   796 #SUP  1.00  #QF  0.74
 44 HIS  H      48 GLU  HB3     5.50            #peak   797 #SUP  0.89  #QF  0.89
 48 GLU  H      49 GLU  HA      4.65            #peak   798 #SUP  1.00
 49 GLU  HB2    50 VAL  H       4.04            #peak   800 #SUP  0.97  #QF  0.97
 49 GLU  QG     50 VAL  H       4.24            #peak   801 #SUP  0.92  #QF  0.92
 41 LEU  QD2    51 LEU  H       4.37            #peak   802 #SUP  1.00
 51 LEU  H      54 GLN  HG2     5.05            #peak   803 #SUP  0.78  #QF  0.78
 49 GLU  HA     52 ARG  H       3.60            #peak   805 #SUP  0.96  #QF  0.96
 52 ARG  H      52 ARG  QG      4.18            #peak   807 #SUP  1.00
 52 ARG  H      53 GLU  HG2     3.97            #peak   809 #SUP  0.84  #QF  0.84
 51 LEU  QB     52 ARG  H       3.49            #peak   810 #SUP  0.94  #QF  0.94
 48 GLU  HB2    52 ARG  H       5.19            #peak   811 #SUP  0.98  #QF  0.69
 48 GLU  QG     52 ARG  H       5.49            #peak   811 #SUP  0.98  #QF  0.69
 49 GLU  HA     53 GLU  H       3.91            #peak   817 #SUP  0.94  #QF  0.94
 52 ARG  QB     53 GLU  H       3.67            #peak   818 #SUP  0.99  #QF  0.99
 52 ARG  QG     53 GLU  H       4.10            #peak   819 #SUP  1.00
 51 LEU  HA     54 GLN  H       4.17            #peak   820 #SUP  0.99  #QF  0.99
 54 GLN  H      55 ALA  QB      3.96            #peak   821 #SUP  1.00
 54 GLN  H      59 ALA  QB      4.94            #peak   822 #SUP  0.99  #QF  0.99
 28 LEU  QD2    54 GLN  H       4.90            #peak   823 #SUP  0.99  #QF  0.99
 54 GLN  HG2    55 ALA  H       4.03            #peak   825 #SUP  0.99  #QF  0.99
 26 THR  QG2    55 ALA  H       4.00            #peak   827 #SUP  0.96  #QF  0.24
 54 GLN  HB2    55 ALA  H       4.19            #peak   827 #SUP  0.96  #QF  0.24
 28 LEU  QD2    55 ALA  H       4.83            #peak   828 #SUP  0.99  #QF  0.99
 28 LEU  QD1    55 ALA  H       4.83            #peak   829 #SUP  0.82  #QF  0.82
 55 ALA  H      59 ALA  QB      5.50            #peak   830 #SUP  0.96  #QF  0.96
 28 LEU  HA     57 GLY  H       3.55            #peak   836 #SUP  0.92  #QF  0.92
 29 ILE  H      58 ASP  H       5.10            #peak   837 #SUP  0.99  #QF  0.99
 57 GLY  HA2    58 ASP  H       3.10            #peak   838 #SUP  0.94  #QF  0.94
 61 GLU  H      64 GLU  H       5.04            #peak   840 #SUP  0.57  #QF  0.57
 65 ASP  H      67 GLY  H       4.38            #peak   845 #SUP  0.98  #QF  0.98
 69 SER  HB2    70 THR  H       4.22            #peak   847 #SUP  0.98  #QF  0.98
 70 THR  HA     72 ALA  H       4.20            #peak   848 #SUP  0.98  #QF  0.33
 69 SER  HA     72 ALA  H       4.96            #peak   849 #SUP  0.67  #QF  0.67
 70 THR  HA     73 ARG  H       3.91            #peak   850 #SUP  0.95  #QF  0.95
 74 GLU  HB2    75 LEU  H       3.85            #peak   851 #SUP  0.99  #QF  0.99
 35 TYR  HA     80 ILE  H       4.18            #peak   852 #SUP  0.98  #QF  0.98
 35 TYR  HB3    80 ILE  H       4.79            #peak   854 #SUP  0.99  #QF  0.99
 80 ILE  QG1    81 ILE  H       4.72            #peak   855 #SUP  0.99  #QF  0.96
 81 ILE  HB     82 GLY  H       4.55            #peak   856 #SUP  1.00
 34 VAL  HB     82 GLY  H       3.97            #peak   857 #SUP  0.98  #QF  0.98
 34 VAL  QG2    82 GLY  H       4.02            #peak   858 #SUP  0.99  #QF  0.99
 84 LEU  H      89 ARG  QG      4.83            #peak   859 #SUP  0.74  #QF  0.74
 89 ARG  H      89 ARG  HB3     3.54            #peak   860 #SUP  0.92  #QF  0.92
 89 ARG  H      89 ARG  QG      3.71            #peak   861 #SUP  0.92  #QF  0.92
 86 PRO  HA     89 ARG  H       3.84            #peak   862 #SUP  0.92  #QF  0.92
 21 ASN  HA     27 TRP  H       4.44            #peak   865 #SUP  1.00
 79 PHE  H      80 ILE  HG23    5.50            #peak   868 #SUP  1.00
 79 PHE  H      80 ILE  HG21    4.44            #peak   869 #SUP  0.99  #QF  0.99
 79 PHE  H      80 ILE  HG22    3.86            #peak   870 #SUP  0.97  #QF  0.97
 79 PHE  H      80 ILE  HB      4.48            #peak   871 #SUP  1.00
 35 TYR  HB3    79 PHE  H       5.12            #peak   872 #SUP  0.96  #QF  0.96
 77 LYS  HB3    79 PHE  H       5.14            #peak   873 #SUP  0.99  #QF  0.99
 76 SER  HA     79 PHE  H       4.25            #peak   874 #SUP  0.40  #QF  0.40
 47 GLY  HA3    49 GLU  H       4.67            #peak   875 #SUP  0.90  #QF  0.90
 23 SER  HA     25 SER  H       4.11            #peak   876 #SUP  0.89  #QF  0.89
 31 HIS  H      60 THR  QG2     3.64            #peak   878 #SUP  0.99  #QF  0.99
 30 LEU  HB3    31 HIS  H       4.54            #peak   879 #SUP  1.00
 97 GLU  QG     98 THR  H       4.23            #peak   881 #SUP  0.94  #QF  0.94
 97 GLU  HB3    98 THR  H       4.65            #peak   882 #SUP  0.99  #QF  0.99
 98 THR  H      98 THR  QG2     4.21            #peak   883 #SUP  1.00
 96 MET  H      96 MET  QG      4.15            #peak   886 #SUP  0.99  #QF  0.99
 95 PRO  HD2    96 MET  H       5.50            #peak   887 #SUP  1.00
 92 LEU  H      93 SER  QB      4.66            #peak   888 #SUP  0.79  #QF  0.79
105 SER  QB    106 ASN  H       4.28            #peak   889 #SUP  1.00
105 SER  HA    106 ASN  H       3.21            #peak   890 #SUP  0.73  #QF  0.73
102 THR  QG2   104 ASP  H       4.34            #peak   892 #SUP  0.79  #QF  0.79
103 VAL  H     104 ASP  H       4.41            #peak   896 #SUP  0.99  #QF  0.28
104 ASP  H     104 ASP  HB2     3.88            #peak   897 #SUP  0.93  #QF  0.93
104 ASP  H     104 ASP  HB3     3.88            #peak   898 #SUP  0.97  #QF  0.97
101 THR  QG2   102 THR  H       4.13            #peak   899 #SUP  0.96  #QF  0.76
102 THR  H     102 THR  QG2     4.49            #peak   899 #SUP  0.96  #QF  0.76
103 VAL  H     103 VAL  QQG     3.21            #peak   903 #SUP  0.99  #QF  0.99
102 THR  QG2   103 VAL  H       3.83            #peak   904 #SUP  0.94  #QF  0.94
 92 LEU  QD1    93 SER  H       4.62            #peak   907 #SUP  0.99  #QF  0.99
133 ASP  H     133 ASP  HB3     3.73            #peak   911 #SUP  0.89  #QF  0.89
132 ALA  QB    133 ASP  H       2.65            #peak   912 #SUP  0.82  #QF  0.82
133 ASP  H     133 ASP  HA      2.87            #peak   914 #SUP  0.95  #QF  0.95
101 THR  H     101 THR  QG2     4.29            #peak   920 #SUP  1.00
 30 LEU  H      30 LEU  QD2     5.33            #peak   922 #SUP  1.00
 15 GLU  QB     16 GLU  H       3.81            #peak   923 #SUP  0.98  #QF  0.98
 16 GLU  H      18 LYS  QG      3.94            #peak   924 #SUP  0.48  #QF  0.48
 35 TYR  QE     80 ILE  H       4.23            #peak   927 #SUP  0.99  #QF  0.99
 77 LYS  HB3    80 ILE  H       5.50            #peak   928 #SUP  1.00
 80 ILE  H      81 ILE  HG23    5.50            #peak   929 #SUP  0.99  #QF  0.99
 16 GLU  HB2    17 ILE  H       4.01            #peak   933 #SUP  0.90  #QF  0.90
 16 GLU  HB3    17 ILE  H       3.97            #peak   934 #SUP  0.99  #QF  0.99
 12 TYR  H      34 VAL  QG2     4.20            #peak   935 #SUP  0.86  #QF  0.86
 26 THR  QG2    38 THR  H       4.63            #peak   936 #SUP  0.86  #QF  0.86
 37 LEU  HB3    38 THR  H       4.78            #peak   938 #SUP  0.99  #QF  0.99
 37 LEU  HB2    38 THR  H       4.78            #peak   940 #SUP  0.99  #QF  0.99
 38 THR  H      39 LYS  QG      5.34            #peak   940 #SUP  0.99  #QF  0.99
 27 TRP  HA     38 THR  H       5.19            #peak   941 #SUP  0.98  #QF  0.98
 27 TRP  HD1    38 THR  H       4.56            #peak   942 #SUP  0.94  #QF  0.94
 89 ARG  H      89 ARG  HB2     3.54            #peak   947 #SUP  0.97  #QF  0.97
 39 LYS  H      41 LEU  HG      4.58            #peak   949 #SUP  0.94  #QF  0.94
 27 TRP  HD1    28 LEU  H       4.55            #peak   950 #SUP  0.99  #QF  0.99
 99 LEU  H     100 ILE  H       3.31            #peak   952 #SUP  0.21  #QF  0.21
102 THR  H     103 VAL  QQG     5.06            #peak   953 #SUP  0.76  #QF  0.76
 11 TYR  H      83 GLU  H       4.49            #peak   957 #SUP  0.99  #QF  0.99
 10 LYS  HA     11 TYR  H       2.70            #peak   958 #SUP  0.87  #QF  0.87
 10 LYS  HG3    11 TYR  H       3.67            #peak   960 #SUP  0.90  #QF  0.90
 10 LYS  HG2    11 TYR  H       4.47            #peak   961 #SUP  0.97  #QF  0.97
 12 TYR  H      85 HIS  HA      5.03            #peak   963 #SUP  0.97  #QF  0.97
 10 LYS  HA     12 TYR  H       5.50            #peak   964 #SUP  1.00  #QF  0.84
 12 TYR  H      82 GLY  HA2     5.50            #peak   964 #SUP  1.00  #QF  0.84
 10 LYS  HG2    12 TYR  H       4.82            #peak   965 #SUP  0.99  #QF  0.99
 13 THR  H      17 ILE  H       4.39            #peak   967 #SUP  0.96  #QF  0.96
 12 TYR  QE     13 THR  H       5.50            #peak   968 #SUP  0.97  #QF  0.97
 13 THR  H      13 THR  HB      3.80            #peak   969 #SUP  0.99  #QF  0.99
 13 THR  HB     16 GLU  H       3.53            #peak   974 #SUP  0.86  #QF  0.86
 12 TYR  QD     17 ILE  H       5.50            #peak   975 #SUP  0.99  #QF  0.99
 17 ILE  HG22   18 LYS  H       4.56            #peak   980 #SUP  0.95  #QF  0.95
 18 LYS  QB     19 LYS  H       4.03            #peak   981 #SUP  1.00
 17 ILE  HG13   19 LYS  H       5.04            #peak   983 #SUP  1.00  #QF  0.94
 17 ILE  QD1    19 LYS  H       5.39            #peak   983 #SUP  1.00  #QF  0.94
 20 HIS  H      27 TRP  H       5.27            #peak   985 #SUP  0.95  #QF  0.95
 20 HIS  H      21 ASN  HB3     4.80            #peak   987 #SUP  0.84  #QF  0.72
 20 HIS  H      27 TRP  HB2     5.24            #peak   987 #SUP  0.84  #QF  0.72
 18 LYS  HA     21 ASN  H       4.53            #peak   988 #SUP  0.73  #QF  0.73
 21 ASN  H      26 THR  HA      4.73            #peak   989 #SUP  0.98  #QF  0.98
 20 HIS  HB3    21 ASN  H       4.20            #peak   993 #SUP  0.98  #QF  0.98
 21 ASN  H      27 TRP  H       4.48            #peak   994 #SUP  0.99  #QF  0.99
 21 ASN  H      56 GLY  H       5.31            #peak   995 #SUP  0.86  #QF  0.86
 20 HIS  HB3    22 HIS  H       5.24            #peak   999 #SUP  0.99  #QF  0.99
 22 HIS  HB2    24 LYS  H       4.39            #peak  1001 #SUP  0.74  #QF  0.74
 22 HIS  HA     24 LYS  H       5.47            #peak  1003 #SUP  0.98  #QF  0.98
 22 HIS  HB3    25 SER  H       5.10            #peak  1004 #SUP  0.87  #QF  0.87
 23 SER  HA     26 THR  H       4.21            #peak  1005 #SUP  0.53  #QF  0.53
 22 HIS  H      27 TRP  H       4.82            #peak  1006 #SUP  1.00
 27 TRP  H      57 GLY  H       5.50            #peak  1007 #SUP  0.99  #QF  0.99
 27 TRP  H      27 TRP  HD1     4.56            #peak  1008 #SUP  0.97  #QF  0.97
 26 THR  HB     27 TRP  H       4.44            #peak  1009 #SUP  0.96  #QF  0.96
 28 LEU  HA     29 ILE  H       3.13            #peak  1012 #SUP  0.96  #QF  0.96
 29 ILE  H      60 THR  H       5.50            #peak  1013 #SUP  1.00
 29 ILE  H      35 TYR  H       5.26            #peak  1014 #SUP  0.99  #QF  0.99
 30 LEU  H      33 LYS  QB      3.90            #peak  1015 #SUP  0.99  #QF  0.39
 33 LYS  H      33 LYS  QB      4.01            #peak  1015 #SUP  0.99  #QF  0.39
 30 LEU  H      30 LEU  HG      4.67            #peak  1018 #SUP  0.92  #QF  0.92
 30 LEU  H      30 LEU  HB2     3.85            #peak  1019 #SUP  0.94  #QF  0.94
 30 LEU  H      35 TYR  QD      3.58            #peak  1020 #SUP  0.97  #QF  0.97
 32 HIS  H      33 LYS  H       3.39            #peak  1021 #SUP  0.73  #QF  0.73
 30 LEU  H      31 HIS  H       4.24            #peak  1022 #SUP  0.99  #QF  0.99
 35 TYR  H      81 ILE  HG23    5.18            #peak  1026 #SUP  0.92  #QF  0.92
 35 TYR  H      80 ILE  HA      4.76            #peak  1027 #SUP  0.90  #QF  0.90
 36 ASP  H      79 PHE  QB      4.14            #peak  1029 #SUP  0.91  #QF  0.91
 35 TYR  QD     36 ASP  H       4.34            #peak  1030 #SUP  1.00
 36 ASP  H      79 PHE  H       5.18            #peak  1031 #SUP  0.99  #QF  0.99
 37 LEU  H      38 THR  HB      4.66            #peak  1032 #SUP  0.95  #QF  0.95
 39 LYS  HB2    40 PHE  H       4.42            #peak  1033 #SUP  0.76  #QF  0.76
 38 THR  QG2    40 PHE  H       4.16            #peak  1034 #SUP  0.91  #QF  0.91
 39 LYS  HB3    40 PHE  H       4.42            #peak  1037 #SUP  0.95  #QF  0.95
 40 PHE  H      41 LEU  HG      3.67            #peak  1038 #SUP  0.98  #QF  0.98
 40 PHE  H      41 LEU  HB2     4.82            #peak  1039 #SUP  1.00
 39 LYS  HA     41 LEU  H       4.17            #peak  1040 #SUP  0.89  #QF  0.89
 38 THR  HA     41 LEU  H       4.33            #peak  1041 #SUP  0.98  #QF  0.98
 41 LEU  QD2    42 GLU  H       4.64            #peak  1044 #SUP  0.99  #QF  0.99
 48 GLU  HA     50 VAL  H       4.75            #peak  1046 #SUP  0.99  #QF  0.99
 28 LEU  QD1    54 GLN  H       4.90            #peak  1047 #SUP  0.95  #QF  0.95
 51 LEU  HA     55 ALA  H       5.18            #peak  1048 #SUP  0.99  #QF  0.99
 54 GLN  HB3    55 ALA  H       4.63            #peak  1050 #SUP  1.00
 26 THR  QG2    56 GLY  H       4.02            #peak  1051 #SUP  0.98  #QF  0.98
 28 LEU  HA     56 GLY  H       4.15            #peak  1053 #SUP  0.97  #QF  0.97
 21 ASN  HA     56 GLY  H       4.40            #peak  1054 #SUP  0.99  #QF  0.99
 29 ILE  H      56 GLY  H       5.50            #peak  1056 #SUP  1.00
 18 LYS  HA     57 GLY  H       5.48            #peak  1057 #SUP  1.00
 58 ASP  H      59 ALA  QB      5.45            #peak  1059 #SUP  0.99  #QF  0.99
 31 HIS  H      59 ALA  H       5.50            #peak  1060 #SUP  0.98  #QF  0.98
 59 ALA  QB     63 PHE  H       4.52            #peak  1069 #SUP  1.00
 30 LEU  QD2    63 PHE  H       5.23            #peak  1070 #SUP  0.99  #QF  0.99
 67 GLY  H      68 HIS  H       4.34            #peak  1072 #SUP  0.80  #QF  0.80
 69 SER  HB3    70 THR  H       4.22            #peak  1073 #SUP  0.94  #QF  0.94
 75 LEU  HB3    76 SER  H       4.11            #peak  1074 #SUP  0.97  #QF  0.97
 75 LEU  HG     76 SER  H       4.86            #peak  1075 #SUP  0.99  #QF  0.44
 76 SER  H      78 THR  QG2     4.91            #peak  1076 #SUP  0.98  #QF  0.98
 77 LYS  QG     78 THR  H       4.94            #peak  1079 #SUP  1.00
 78 THR  H      79 PHE  QB      4.65            #peak  1080 #SUP  0.95  #QF  0.95
 35 TYR  HA     81 ILE  H       3.98            #peak  1082 #SUP  0.94  #QF  0.94
 80 ILE  QG1    82 GLY  H       4.55            #peak  1084 #SUP  1.00
 80 ILE  HD12   82 GLY  H       5.25            #peak  1084 #SUP  1.00
 34 VAL  H      84 LEU  H       4.35            #peak  1085 #SUP  1.00
 33 LYS  HA     84 LEU  H       4.36            #peak  1086 #SUP  0.91  #QF  0.91
 83 GLU  QG     84 LEU  H       3.94            #peak  1088 #SUP  0.94  #QF  0.94
 34 VAL  QG2    84 LEU  H       4.09            #peak  1091 #SUP  0.98  #QF  0.98
 34 VAL  QG1    84 LEU  H       5.50            #peak  1092 #SUP  1.00
 14 LEU  H      85 HIS  H       4.98            #peak  1093 #SUP  0.97  #QF  0.97
 85 HIS  H      89 ARG  QG      5.41            #peak  1096 #SUP  0.96  #QF  0.89
 14 LEU  QD1    88 ASP  H       4.52            #peak  1101 #SUP  0.73  #QF  0.66
 88 ASP  H      89 ARG  QG      4.73            #peak  1101 #SUP  0.73  #QF  0.66
 14 LEU  QD2    88 ASP  H       4.52            #peak  1102 #SUP  0.97  #QF  0.97
 86 PRO  HD3    88 ASP  H       5.50            #peak  1103 #SUP  0.71  #QF  0.71
 88 ASP  H      89 ARG  HA      4.82            #peak  1105 #SUP  0.99  #QF  0.99
 86 PRO  HA     88 ASP  H       4.29            #peak  1106 #SUP  0.99  #QF  0.99
 21 ASN  HA     21 ASN  HD22    5.16            #peak  1110 #SUP  0.97  #QF  0.97
 21 ASN  HA     21 ASN  HD21    4.51            #peak  1111 #SUP  0.98  #QF  0.98
 21 ASN  HB3    21 ASN  HD21    3.55            #peak  1112 #SUP  0.99  #QF  0.99
 21 ASN  HB3    21 ASN  HD22    3.88            #peak  1113 #SUP  0.89  #QF  0.89
 21 ASN  HD21   55 ALA  QB      4.90            #peak  1116 #SUP  0.94  #QF  0.94
 45 PRO  QB     46 GLY  H       4.55            #peak  1119 #SUP  1.00
 45 PRO  QG     46 GLY  H       4.97            #peak  1120 #SUP  1.00
 62 ASN  HB2    62 ASN  HD22    3.66            #peak  1121 #SUP  0.85  #QF  0.85
 62 ASN  H      62 ASN  HD22    3.95            #peak  1123 #SUP  0.98  #QF  0.98
 54 GLN  HE22   62 ASN  HD22    3.52            #peak  1124 #SUP  0.97  #QF  0.97
 54 GLN  HB3    54 GLN  HE22    3.70            #peak  1125 #SUP  0.97  #QF  0.97
 54 GLN  HA     54 GLN  HE22    4.05            #peak  1126 #SUP  0.99  #QF  0.99
 54 GLN  HG2    54 GLN  HE22    3.72            #peak  1127 #SUP  1.00
 54 GLN  HE22   59 ALA  HA      4.71            #peak  1129 #SUP  0.99  #QF  0.99
 53 GLU  HG2    54 GLN  HE22    5.11            #peak  1131 #SUP  0.96  #QF  0.96
 53 GLU  HG3    54 GLN  HE22    4.41            #peak  1132 #SUP  1.00
 53 GLU  HB2    54 GLN  HE22    4.94            #peak  1133 #SUP  0.98  #QF  0.98
 54 GLN  HB2    54 GLN  HE22    5.13            #peak  1134 #SUP  1.00
 54 GLN  HE22   59 ALA  QB      4.69            #peak  1135 #SUP  0.99  #QF  0.99
 54 GLN  HA     54 GLN  HE21    3.90            #peak  1136 #SUP  0.99  #QF  0.99
 53 GLU  HG3    54 GLN  HE21    4.03            #peak  1138 #SUP  0.98  #QF  0.98
 54 GLN  HG2    54 GLN  HE21    3.08            #peak  1139 #SUP  0.97  #QF  0.97
 53 GLU  HB2    54 GLN  HE21    4.23            #peak  1140 #SUP  0.99  #QF  0.99
 54 GLN  HB3    54 GLN  HE21    3.42            #peak  1143 #SUP  0.99  #QF  0.99
 54 GLN  HE21   59 ALA  QB      4.42            #peak  1144 #SUP  1.00
 54 GLN  HB2    54 GLN  HE21    4.42            #peak  1145 #SUP  1.00
 62 ASN  HA     62 ASN  HD21    4.01            #peak  1146 #SUP  0.99  #QF  0.99
 62 ASN  HB3    62 ASN  HD21    3.50            #peak  1148 #SUP  0.98  #QF  0.98
 62 ASN  HB2    62 ASN  HD21    3.36            #peak  1149 #SUP  0.84  #QF  0.84
 62 ASN  H      62 ASN  HD21    4.17            #peak  1150 #SUP  0.98  #QF  0.98
 54 GLN  H      54 GLN  HE21    3.99            #peak  1151 #SUP  0.99  #QF  0.99
 30 LEU  QD2    31 HIS  H       5.50            #peak  1153 #SUP  0.98  #QF  0.98
 92 LEU  HB2    93 SER  H       4.57            #peak  1155 #SUP  1.00
 92 LEU  HA     93 SER  H       3.29            #peak  1156 #SUP  0.96  #QF  0.96
 92 LEU  QD2    93 SER  H       4.62            #peak  1157 #SUP  0.93  #QF  0.93
 92 LEU  HB3    93 SER  H       4.36            #peak  1158 #SUP  1.00
 92 LEU  H      93 SER  H       4.03            #peak  1160 #SUP  0.99  #QF  0.99
 92 LEU  H      92 LEU  QD2     3.92            #peak  1161 #SUP  0.91  #QF  0.91
 92 LEU  H      92 LEU  QD1     3.92            #peak  1162 #SUP  0.96  #QF  0.96
 92 LEU  H      92 LEU  HB2     3.44            #peak  1163 #SUP  0.70  #QF  0.70
 93 SER  H      93 SER  QB      3.33            #peak  1165 #SUP  0.99  #QF  0.99
 31 HIS  H      60 THR  H       4.76            #peak  1170 #SUP  0.87  #QF  0.87
 95 PRO  QG     96 MET  H       3.98            #peak  1175 #SUP  0.96  #QF  0.96
 97 GLU  H      98 THR  H       4.36            #peak  1178 #SUP  0.93  #QF  0.93
 97 GLU  HB2    98 THR  H       4.65            #peak  1183 #SUP  0.98  #QF  0.98
103 VAL  H     104 ASP  HA      4.95            #peak  1186 #SUP  0.93  #QF  0.93
 30 LEU  HB2    31 HIS  H       4.70            #peak  1191 #SUP  0.99  #QF  0.99
 36 ASP  H      81 ILE  HG22    3.60            #peak  1195 #SUP  0.97  #QF  0.97
 41 LEU  QD2    52 ARG  H       3.83            #peak  1200 #SUP  0.99  #QF  0.99
 14 LEU  QD2    15 GLU  H       4.40            #peak  1202 #SUP  0.90  #QF  0.90
 22 HIS  H      23 SER  H       4.17            #peak  1203 #SUP  0.97  #QF  0.97
 33 LYS  H      83 GLU  HA      5.01            #peak  1210 #SUP  0.61  #QF  0.61
124 ALA  H     124 ALA  QB      2.96            #peak  1216 #SUP  1.00
 35 TYR  QE     77 LYS  H       4.89            #peak  1219 #SUP  0.33  #QF  0.33
 34 VAL  HB     83 GLU  H       4.65            #peak  1222 #SUP  0.97  #QF  0.97
 96 MET  QG     97 GLU  H       4.36            #peak  1227 #SUP  0.89  #QF  0.89
102 THR  HA    104 ASP  H       4.67            #peak  1228 #SUP  0.90  #QF  0.90
 61 GLU  HB2    62 ASN  HD22    5.50            #peak  1230 #SUP  0.71  #QF  0.59
 61 GLU  HB3    62 ASN  HD22    5.50            #peak  1230 #SUP  0.71  #QF  0.59
112 ASN  HB2   112 ASN  HD21    3.79            #peak  1236 #SUP  0.99  #QF  0.99
112 ASN  HB3   112 ASN  HD22    3.79            #peak  1237 #SUP  1.00
112 ASN  HB2   112 ASN  HD22    3.79            #peak  1238 #SUP  1.00
  4 GLN  QB      4 GLN  HE22    4.12            #peak  1245 #SUP  0.99  #QF  0.99
 77 LYS  H      78 THR  QG2     4.35            #peak  1249 #SUP  0.99  #QF  0.99
 30 LEU  HG     31 HIS  H       5.50            #peak  1251 #SUP  0.79  #QF  0.79
 50 VAL  H      50 VAL  QG2     3.93            #peak  1252 #SUP  1.00
 75 LEU  H      75 LEU  HG      4.68            #peak  1255 #SUP  0.99  #QF  0.59
 98 THR  H      98 THR  HB      3.75            #peak  1257 #SUP  0.75  #QF  0.75
  6 ASP  HA      7 LYS  H       2.81            #peak  1261 #SUP  0.61  #QF  0.61
  6 ASP  H       7 LYS  H       4.28            #peak  1263 #SUP  0.98  #QF  0.98
 11 TYR  H      85 HIS  HD2     5.50            #peak  1265 #SUP  0.97  #QF  0.97
  9 VAL  QG2    11 TYR  H       4.30            #peak  1266 #SUP  0.48  #QF  0.48
 11 TYR  H      11 TYR  QE      4.80            #peak  1267 #SUP  0.96  #QF  0.96
 13 THR  H      16 GLU  QG      4.55            #peak  1268 #SUP  0.99  #QF  0.99
 15 GLU  H      16 GLU  HA      5.30            #peak  1270 #SUP  0.99  #QF  0.99
 19 LYS  QB     21 ASN  H       5.00            #peak  1272 #SUP  0.97  #QF  0.97
 52 ARG  H      55 ALA  QB      4.80            #peak  1274 #SUP  0.87  #QF  0.87
 59 ALA  H      60 THR  HB      5.22            #peak  1285 #SUP  0.98  #QF  0.98
 28 LEU  QD1    59 ALA  H       5.07            #peak  1286 #SUP  0.95  #QF  0.95
 30 LEU  QD1    63 PHE  H       5.23            #peak  1287 #SUP  0.81  #QF  0.81
 60 THR  QG2    62 ASN  H       4.86            #peak  1289 #SUP  0.98  #QF  0.98
 62 ASN  H      63 PHE  HA      5.50            #peak  1292 #SUP  0.99  #QF  0.97
 62 ASN  HD22   63 PHE  H       5.50            #peak  1294 #SUP  0.94  #QF  0.94
 65 ASP  H      66 VAL  HA      5.41            #peak  1295 #SUP  0.98  #QF  0.98
 70 THR  H      72 ALA  QB      5.46            #peak  1296 #SUP  0.55  #QF  0.55
 73 ARG  H      75 LEU  H       4.62            #peak  1302 #SUP  0.98  #QF  0.98
 27 TRP  HD1    37 LEU  H       4.18            #peak  1307 #SUP  0.39  #QF  0.39
 76 SER  H      77 LYS  HB2     4.51            #peak  1310 #SUP  0.93  #QF  0.93
 72 ALA  HA     76 SER  H       4.60            #peak  1312 #SUP  0.53  #QF  0.53
 74 GLU  HB3    77 LYS  H       5.50            #peak  1315 #SUP  0.93  #QF  0.93
 35 TYR  HA     79 PHE  H       5.28            #peak  1320 #SUP  1.00
 35 TYR  QE     79 PHE  H       4.60            #peak  1322 #SUP  0.74  #QF  0.74
 79 PHE  H      79 PHE  QD      4.50            #peak  1323 #SUP  0.62  #QF  0.62
 78 THR  QG2    80 ILE  H       4.77            #peak  1327 #SUP  0.87  #QF  0.87
 80 ILE  HG22   81 ILE  H       4.84            #peak  1329 #SUP  0.94  #QF  0.94
 80 ILE  HB     81 ILE  H       4.57            #peak  1330 #SUP  0.97  #QF  0.97
 33 LYS  QG     82 GLY  H       5.50            #peak  1332 #SUP  0.80  #QF  0.55
 80 ILE  HG22   82 GLY  H       5.50            #peak  1332 #SUP  0.80  #QF  0.55
  9 VAL  QG1    83 GLU  H       5.37            #peak  1334 #SUP  0.71  #QF  0.71
 34 VAL  QG2    85 HIS  H       5.22            #peak  1337 #SUP  0.94  #QF  0.94
 85 HIS  HB2    87 ASP  H       4.61            #peak  1340 #SUP  0.91  #QF  0.91
 93 SER  H      94 LYS  H       4.46            #peak  1347 #SUP  0.97  #QF  0.97
 17 ILE  H      18 LYS  QG      4.20            #peak  1351 #SUP  0.91  #QF  0.91
 19 LYS  H      19 LYS  QD      3.88            #peak  1355 #SUP  1.00
 19 LYS  H      19 LYS  QG      3.96            #peak  1356 #SUP  1.00
 19 LYS  H      19 LYS  QB      2.61            #peak  1357 #SUP  0.91  #QF  0.91
 16 GLU  HB3    19 LYS  H       5.50            #peak  1358 #SUP  0.98  #QF  0.98
 18 LYS  QD     19 LYS  H       3.92            #peak  1359 #SUP  0.67  #QF  0.67
 16 GLU  QG     19 LYS  H       4.66            #peak  1360 #SUP  0.92  #QF  0.92
 25 SER  HB2    26 THR  H       5.30            #peak  1367 #SUP  0.99  #QF  0.99
 28 LEU  H      34 VAL  HA      4.35            #peak  1370 #SUP  0.92  #QF  0.92
 27 TRP  HB2    28 LEU  H       4.04            #peak  1371 #SUP  0.99  #QF  0.99
 31 HIS  QB     32 HIS  H       4.49            #peak  1376 #SUP  0.96  #QF  0.96
  7 LYS  H       7 LYS  QE      4.91            #peak  1385 #SUP  0.35  #QF  0.35
 51 LEU  HA     53 GLU  H       4.77            #peak  1409 #SUP  0.99  #QF  0.99
 41 LEU  QD2    53 GLU  H       5.50            #peak  1410 #SUP  0.98  #QF  0.98
 51 LEU  QB     54 GLN  H       5.21            #peak  1411 #SUP  0.98  #QF  0.98
 52 ARG  QB     54 GLN  H       5.01            #peak  1413 #SUP  0.99  #QF  0.99
 28 LEU  H      56 GLY  H       4.91            #peak  1415 #SUP  0.97  #QF  0.97
 28 LEU  QD1    56 GLY  H       5.50            #peak  1416 #SUP  1.00
 28 LEU  QD2    56 GLY  H       5.50            #peak  1417 #SUP  0.93  #QF  0.93
 28 LEU  H      57 GLY  H       5.50            #peak  1421 #SUP  0.97  #QF  0.97
 60 THR  H      61 GLU  HA      5.47            #peak  1430 #SUP  0.82  #QF  0.82
 60 THR  QG2    61 GLU  H       3.74            #peak  1432 #SUP  1.00
 59 ALA  QB     61 GLU  H       5.02            #peak  1433 #SUP  1.00
 69 SER  HB2    71 ASP  H       4.32            #peak  1439 #SUP  0.93  #QF  0.93
 72 ALA  H      72 ALA  QB      3.66            #peak  1440 #SUP  0.99  #QF  0.99
 73 ARG  H      73 ARG  HB2     3.97            #peak  1442 #SUP  0.99  #QF  0.99
 74 GLU  H      75 LEU  HB3     5.30            #peak  1444 #SUP  0.95  #QF  0.95
 74 GLU  H      77 LYS  HB2     5.50            #peak  1445 #SUP  0.93  #QF  0.93
 88 ASP  HB2    89 ARG  H       4.51            #peak  1458 #SUP  0.70  #QF  0.70
 15 GLU  H      17 ILE  H       4.33            #peak  1459 #SUP  0.92  #QF  0.92
 15 GLU  H      16 GLU  HB3     5.06            #peak  1460 #SUP  0.97  #QF  0.97
  9 VAL  QG1    11 TYR  H       4.75            #peak  1467 #SUP  0.42  #QF  0.42
 17 ILE  QD1    20 HIS  H       5.22            #peak  1472 #SUP  0.82  #QF  0.82
 20 HIS  H      21 ASN  HD21    4.65            #peak  1473 #SUP  0.69  #QF  0.69
 54 GLN  HE22   62 ASN  HB2     4.83            #peak  1480 #SUP  0.98  #QF  0.98
 53 GLU  HG2    54 GLN  HE21    4.53            #peak  1481 #SUP  0.99  #QF  0.99
 62 ASN  HD21   63 PHE  H       4.44            #peak  1482 #SUP  0.76  #QF  0.76
 59 ALA  HA     62 ASN  HD22    4.35            #peak  1483 #SUP  0.98  #QF  0.98
 59 ALA  HA     62 ASN  HD21    4.28            #peak  1487 #SUP  0.84  #QF  0.84
 50 VAL  H      53 GLU  HB3     5.50            #peak  1491 #SUP  0.89  #QF  0.89
 21 ASN  HB2    56 GLY  H       4.65            #peak  1494 #SUP  0.97  #QF  0.97
 51 LEU  H      52 ARG  QG      5.50            #peak  1497 #SUP  0.85  #QF  0.39
 51 LEU  H      54 GLN  HG3     5.50            #peak  1497 #SUP  0.85  #QF  0.39
 51 LEU  H      52 ARG  QB      4.68            #peak  1498 #SUP  0.94  #QF  0.94
 50 VAL  HB     51 LEU  H       4.56            #peak  1499 #SUP  0.99  #QF  0.99
 98 THR  HB     99 LEU  H       3.86            #peak  1506 #SUP  0.79  #QF  0.79
 18 LYS  HA     56 GLY  H       5.02            #peak  1512 #SUP  0.87  #QF  0.87
 57 GLY  H      59 ALA  QB      5.33            #peak  1513 #SUP  0.99  #QF  0.99
 26 THR  QG2    57 GLY  H       5.50            #peak  1514 #SUP  0.96  #QF  0.84
 54 GLN  HB2    57 GLY  H       5.50            #peak  1514 #SUP  0.96  #QF  0.84
 29 ILE  HB     57 GLY  H       4.94            #peak  1515 #SUP  0.47  #QF  0.47
 57 GLY  H      58 ASP  HA      4.81            #peak  1516 #SUP  0.97  #QF  0.97
 28 LEU  QD2    59 ALA  H       5.07            #peak  1519 #SUP  0.95  #QF  0.95
 59 ALA  H      60 THR  QG2     5.50            #peak  1520 #SUP  0.98  #QF  0.98
 59 ALA  H      60 THR  HA      4.72            #peak  1521 #SUP  0.91  #QF  0.91
 61 GLU  HA     63 PHE  H       4.77            #peak  1528 #SUP  0.80  #QF  0.80
 60 THR  HB     63 PHE  H       5.50            #peak  1529 #SUP  0.78  #QF  0.78
 64 GLU  H      65 ASP  HA      5.19            #peak  1530 #SUP  0.62  #QF  0.62
 74 GLU  HB3    75 LEU  H       4.11            #peak  1533 #SUP  0.97  #QF  0.97
 78 THR  H      80 ILE  HG21    5.26            #peak  1536 #SUP  0.96  #QF  0.96
 34 VAL  QG1    81 ILE  H       4.53            #peak  1544 #SUP  0.90  #QF  0.90
 35 TYR  H      82 GLY  H       5.50            #peak  1546 #SUP  0.96  #QF  0.96
 33 LYS  HA     82 GLY  H       5.50            #peak  1547 #SUP  0.91  #QF  0.91
  9 VAL  HB     82 GLY  H       5.46            #peak  1548 #SUP  0.93  #QF  0.93
  9 VAL  QG2    82 GLY  H       4.85            #peak  1549 #SUP  0.63  #QF  0.63
 32 HIS  HA     84 LEU  H       4.95            #peak  1553 #SUP  0.49  #QF  0.49
 87 ASP  H      88 ASP  HA      5.30            #peak  1554 #SUP  0.99  #QF  0.99
127 TYR  H     127 TYR  QD      4.67            #peak  1556 #SUP  0.99  #QF  0.99
 10 LYS  HG3    12 TYR  H       5.33            #peak  1558 #SUP  0.92  #QF  0.92
  9 VAL  H      82 GLY  HA2     5.50            #peak  1559 #SUP  0.96  #QF  0.93
 10 LYS  H      82 GLY  H       4.80            #peak  1561 #SUP  0.91  #QF  0.91
 13 THR  H      17 ILE  HG22    4.79            #peak  1563 #SUP  0.97  #QF  0.97
 13 THR  H      15 GLU  H       5.50            #peak  1566 #SUP  0.97  #QF  0.97
 14 LEU  H      15 GLU  QB      5.02            #peak  1567 #SUP  0.99  #QF  0.99
 14 LEU  HA     16 GLU  H       4.56            #peak  1570 #SUP  0.99  #QF  0.99
 16 GLU  HB3    18 LYS  H       4.88            #peak  1572 #SUP  0.99  #QF  0.99
 15 GLU  QB     18 LYS  H       5.30            #peak  1574 #SUP  0.89  #QF  0.89
 18 LYS  H      19 LYS  QD      5.01            #peak  1575 #SUP  0.92  #QF  0.92
 18 LYS  H      19 LYS  QG      5.50            #peak  1576 #SUP  1.00
 24 LYS  H      25 SER  HA      5.11            #peak  1580 #SUP  0.78  #QF  0.78
 25 SER  H      26 THR  HB      4.71            #peak  1584 #SUP  0.95  #QF  0.95
 25 SER  H      38 THR  HA      5.50            #peak  1585 #SUP  0.98  #QF  0.98
 28 LEU  H      55 ALA  HA      5.50            #peak  1587 #SUP  0.99  #QF  0.99
 30 LEU  QD1    31 HIS  H       5.50            #peak  1588 #SUP  1.00
 34 VAL  H      81 ILE  H       4.80            #peak  1589 #SUP  0.86  #QF  0.86
 34 VAL  H      83 GLU  HB3     5.35            #peak  1591 #SUP  0.97  #QF  0.97
 38 THR  H      39 LYS  HA      5.45            #peak  1596 #SUP  0.99  #QF  0.99
 40 PHE  H      41 LEU  HA      4.54            #peak  1597 #SUP  0.95  #QF  0.95
 38 THR  HB     40 PHE  H       5.48            #peak  1600 #SUP  0.88  #QF  0.88
 37 LEU  HA     41 LEU  H       5.28            #peak  1603 #SUP  0.98  #QF  0.98
 42 GLU  H      48 GLU  HB3     4.34            #peak  1604 #SUP  0.98  #QF  0.98
 48 GLU  H      49 GLU  HB3     4.72            #peak  1607 #SUP  0.95  #QF  0.95
 60 THR  H      61 GLU  HB3     5.50            #peak  1614 #SUP  0.94  #QF  0.94
 66 VAL  HB     67 GLY  H       4.83            #peak  1616 #SUP  0.84  #QF  0.84
 74 GLU  H      75 LEU  HB2     5.30            #peak  1619 #SUP  0.98  #QF  0.98
 72 ALA  QB     75 LEU  H       5.43            #peak  1620 #SUP  0.99  #QF  0.72
 36 ASP  H      81 ILE  H       4.26            #peak  1627 #SUP  0.98  #QF  0.98
 34 VAL  QG1    82 GLY  H       4.40            #peak  1628 #SUP  0.99  #QF  0.99
 33 LYS  HA     83 GLU  H       5.50            #peak  1629 #SUP  0.87  #QF  0.87
 83 GLU  H      84 LEU  HA      5.37            #peak  1630 #SUP  0.91  #QF  0.91
 54 GLN  HE21   59 ALA  HA      5.50            #peak  1640 #SUP  1.00
 48 GLU  HA     48 GLU  HB2     3.00            #peak     4 #SUP  0.92  #QF  0.92
  9 VAL  HA      9 VAL  QG2     2.84            #peak     7 #SUP  0.26  #QF  0.26
 35 TYR  QE     80 ILE  HG23    5.50            #peak     8 #SUP  1.00  #QF  0.99
 35 TYR  QE     80 ILE  HD13    5.50            #peak     8 #SUP  1.00  #QF  0.99
 12 TYR  QD     17 ILE  HG21    4.04            #peak     9 #SUP  0.92  #QF  0.92
 17 ILE  HG21   27 TRP  HE3     4.22            #peak    10 #SUP  0.89  #QF  0.79
  9 VAL  QG1    11 TYR  QD      4.45            #peak    14 #SUP  0.94  #QF  0.93
  9 VAL  QG1    11 TYR  QE      3.77            #peak    15 #SUP  0.85  #QF  0.80
 12 TYR  QD     34 VAL  QG2     3.51            #peak    16 #SUP  0.87  #QF  0.87
 12 TYR  QE     34 VAL  QG2     4.84            #peak    17 #SUP  0.92  #QF  0.92
 31 HIS  HD2    60 THR  QG2     3.40            #peak    18 #SUP  0.94  #QF  0.94
  9 VAL  QG2    11 TYR  QD      3.52            #peak    19 #SUP  0.27  #QF  0.27
  9 VAL  QG2    11 TYR  QE      2.99            #peak    20 #SUP  0.27  #QF  0.27
 30 LEU  HB3    31 HIS  HD2     3.45            #peak    21 #SUP  0.91  #QF  0.91
 30 LEU  HB3    35 TYR  QE      3.55            #peak    22 #SUP  0.91  #QF  0.91
 12 TYR  QD     34 VAL  QG1     3.80            #peak    24 #SUP  0.93  #QF  0.93
 27 TRP  HZ2    34 VAL  QG1     4.55            #peak    25 #SUP  0.89  #QF  0.89
 12 TYR  QE     34 VAL  QG1     4.46            #peak    26 #SUP  0.96  #QF  0.96
 30 LEU  HG     35 TYR  QD      4.53            #peak    28 #SUP  0.97  #QF  0.97
 30 LEU  HG     35 TYR  QE      4.58            #peak    29 #SUP  0.99  #QF  0.99
 35 TYR  QE     80 ILE  QG1     4.54            #peak    30 #SUP  0.88  #QF  0.88
 30 LEU  QD2    31 HIS  HD2     4.55            #peak    32 #SUP  0.99  #QF  0.99
 30 LEU  QD2    35 TYR  QE      4.90            #peak    33 #SUP  0.99  #QF  0.99
 12 TYR  QD     81 ILE  HD12    4.65            #peak    34 #SUP  0.96  #QF  0.96
 27 TRP  HD1    81 ILE  HD12    4.70            #peak    35 #SUP  0.99  #QF  0.99
 12 TYR  QE     81 ILE  HD12    4.26            #peak    37 #SUP  1.00
 27 TRP  HH2    81 ILE  HD12    4.58            #peak    38 #SUP  0.99  #QF  0.99
 31 HIS  QB     31 HIS  HD2     3.25            #peak    42 #SUP  0.99  #QF  0.99
 40 PHE  HB2    79 PHE  QE      3.68            #peak    44 #SUP  0.95  #QF  0.95
 40 PHE  HB2    79 PHE  QD      4.16            #peak    46 #SUP  0.98  #QF  0.98
112 ASN  HB3   112 ASN  HD21    3.79            #peak    48 #SUP  0.89  #QF  0.89
 10 LYS  QE     12 TYR  QE      4.57            #peak    49 #SUP  0.92  #QF  0.92
 31 HIS  HD2    60 THR  HA      4.45            #peak    50 #SUP  0.99  #QF  0.99
 85 HIS  HB2    85 HIS  HD2     3.44            #peak    51 #SUP  0.80  #QF  0.80
 40 PHE  HB3    79 PHE  QE      4.06            #peak    58 #SUP  0.99  #QF  0.99
 40 PHE  HB3    79 PHE  QD      5.24            #peak    60 #SUP  1.00
 11 TYR  HB3    85 HIS  HD2     3.43            #peak    62 #SUP  0.38  #QF  0.38
 35 TYR  QD     79 PHE  QB      3.60            #peak    64 #SUP  0.95  #QF  0.95
 85 HIS  HD2    86 PRO  HD2     4.49            #peak    70 #SUP  0.90  #QF  0.90
 11 TYR  QD     86 PRO  HD2     3.58            #peak    71 #SUP  0.90  #QF  0.90
 11 TYR  QD     83 GLU  HB2     3.42            #peak    72 #SUP  0.90  #QF  0.90
 11 TYR  QE     83 GLU  HB2     3.23            #peak    73 #SUP  0.90  #QF  0.90
 33 LYS  QB     35 TYR  QE      3.66            #peak    74 #SUP  0.26  #QF  0.26
 27 TRP  HD1    36 ASP  HB2     3.59            #peak    80 #SUP  0.97  #QF  0.97
 12 TYR  QE     81 ILE  HB      4.34            #peak    81 #SUP  0.84  #QF  0.84
 11 TYR  QD     83 GLU  HB3     4.37            #peak    82 #SUP  0.99  #QF  0.99
 54 GLN  H      54 GLN  HG3     3.49            #peak    83 #SUP  0.31  #QF  0.31
 10 LYS  QB     12 TYR  QE      3.40            #peak    86 #SUP  0.92  #QF  0.92
 11 TYR  QD     86 PRO  HD3     3.58            #peak    87 #SUP  0.99  #QF  0.99
 85 HIS  HD2    86 PRO  HD3     4.49            #peak    89 #SUP  0.73  #QF  0.73
 75 LEU  HG     79 PHE  QE      4.90            #peak    90 #SUP  0.60  #QF  0.32
 30 LEU  HB2    35 TYR  QD      4.21            #peak    93 #SUP  0.92  #QF  0.88
 30 LEU  HB2    35 TYR  QE      3.40            #peak    94 #SUP  0.86  #QF  0.86
 30 LEU  HB2    31 HIS  HD2     3.84            #peak    95 #SUP  0.99  #QF  0.99
 13 THR  QG2    85 HIS  HD2     3.85            #peak    96 #SUP  0.68  #QF  0.68
 10 LYS  HG3    12 TYR  QE      4.50            #peak    97 #SUP  0.99  #QF  0.99
 10 LYS  HG2    12 TYR  QD      4.02            #peak    98 #SUP  0.90  #QF  0.77
 12 TYR  QD     34 VAL  HB      4.33            #peak    98 #SUP  0.90  #QF  0.77
 78 THR  QG2    79 PHE  QD      3.51            #peak    99 #SUP  0.91  #QF  0.49
 31 HIS  HE1    60 THR  QG2     3.64            #peak   101 #SUP  0.72  #QF  0.72
 12 TYR  HA     12 TYR  QD      3.35            #peak   104 #SUP  0.96  #QF  0.96
 12 TYR  HA     12 TYR  QE      4.51            #peak   105 #SUP  0.99  #QF  0.99
 27 TRP  HD1    36 ASP  HA      3.26            #peak   106 #SUP  0.97  #QF  0.97
 12 TYR  QE     81 ILE  HA      5.33            #peak   108 #SUP  0.98  #QF  0.98
 35 TYR  HA     35 TYR  QD      3.69            #peak   111 #SUP  0.96  #QF  0.96
 12 TYR  QD     82 GLY  HA3     4.01            #peak   112 #SUP  0.91  #QF  0.91
 12 TYR  QE     82 GLY  HA3     3.45            #peak   113 #SUP  0.94  #QF  0.94
 30 LEU  HA     31 HIS  HD2     3.94            #peak   114 #SUP  0.97  #QF  0.97
 62 ASN  HA     62 ASN  HD22    4.52            #peak   115 #SUP  0.50  #QF  0.50
 37 LEU  HA     79 PHE  QE      3.71            #peak   116 #SUP  0.80  #QF  0.80
 25 SER  H      26 THR  HA      4.07            #peak   117 #SUP  0.55  #QF  0.55
 35 TYR  QD     77 LYS  HA      4.91            #peak   118 #SUP  0.95  #QF  0.78
 12 TYR  QE     82 GLY  HA2     4.29            #peak   119 #SUP  0.98  #QF  0.98
 85 HIS  HA     85 HIS  HD2     3.69            #peak   123 #SUP  0.87  #QF  0.87
 31 HIS  HA     31 HIS  HD2     4.22            #peak   124 #SUP  0.87  #QF  0.87
 11 TYR  QD     85 HIS  HA      3.57            #peak   125 #SUP  0.97  #QF  0.97
 35 TYR  QD     79 PHE  HA      4.33            #peak   128 #SUP  0.96  #QF  0.96
 35 TYR  QD     80 ILE  HA      4.17            #peak   130 #SUP  0.71  #QF  0.71
 40 PHE  HD1    79 PHE  QD      4.48            #peak   132 #SUP  0.90  #QF  0.90
 40 PHE  HD1    79 PHE  QE      3.89            #peak   134 #SUP  0.97  #QF  0.97
 12 TYR  QD     27 TRP  HH2     4.18            #peak   139 #SUP  0.98  #QF  0.98
 35 TYR  QD     80 ILE  H       2.90            #peak   140 #SUP  1.00
 31 HIS  HD2    35 TYR  QE      4.79            #peak   151 #SUP  0.99  #QF  0.99
 12 TYR  QE     27 TRP  HH2     3.89            #peak   153 #SUP  0.98  #QF  0.98
 27 TRP  HA     27 TRP  HD1     3.20            #peak   154 #SUP  0.95  #QF  0.95
 12 TYR  QE     27 TRP  HZ3     4.30            #peak   157 #SUP  0.99  #QF  0.99
 11 TYR  HA     85 HIS  HD2     4.01            #peak   158 #SUP  0.91  #QF  0.91
 11 TYR  HA     11 TYR  QD      3.02            #peak   159 #SUP  0.89  #QF  0.89
 12 TYR  QD     27 TRP  HZ3     4.27            #peak   161 #SUP  0.93  #QF  0.93
 17 ILE  HG21   27 TRP  HZ3     4.06            #peak   164 #SUP  0.91  #QF  0.91
 12 TYR  QE     16 GLU  QG      4.60            #peak   172 #SUP  0.98  #QF  0.98
 10 LYS  HG2    12 TYR  QE      3.77            #peak   173 #SUP  0.80  #QF  0.80
 37 LEU  HA     40 PHE  HD1     4.43            #peak   174 #SUP  0.89  #QF  0.89
 39 LYS  QG     40 PHE  HD1     5.50            #peak   176 #SUP  0.83  #QF  0.77
 78 THR  QG2    79 PHE  QE      3.63            #peak   177 #SUP  0.83  #QF  0.28
 79 PHE  HA     79 PHE  QD      4.37            #peak   179 #SUP  0.98  #QF  0.98
 76 SER  QB     79 PHE  QD      4.51            #peak   180 #SUP  0.71  #QF  0.71
 35 TYR  HB2    79 PHE  QD      5.49            #peak   181 #SUP  0.90  #QF  0.90
 27 TRP  HD1    34 VAL  QG1     4.82            #peak   184 #SUP  0.98  #QF  0.92
 59 ALA  QB     62 ASN  HD22    5.27            #peak   184 #SUP  0.98  #QF  0.92
 27 TRP  HD1    81 ILE  HG23    5.19            #peak   185 #SUP  0.86  #QF  0.86
 27 TRP  HD1    36 ASP  HB3     4.42            #peak   186 #SUP  1.00
 27 TRP  HA     34 VAL  QG1     4.86            #peak   188 #SUP  0.93  #QF  0.93
 63 PHE  H      64 GLU  HA      5.20            #peak   189 #SUP  0.96  #QF  0.96
 12 TYR  HA     85 HIS  HD2     4.91            #peak   193 #SUP  0.91  #QF  0.91
 13 THR  HA     85 HIS  HD2     4.38            #peak   194 #SUP  0.79  #QF  0.79
 28 LEU  H      35 TYR  QD      4.87            #peak   203 #SUP  0.88  #QF  0.88
 16 GLU  QG     27 TRP  HH2     5.30            #peak   204 #SUP  0.95  #QF  0.95
 17 ILE  HG21   27 TRP  HH2     5.49            #peak   206 #SUP  0.93  #QF  0.93
 27 TRP  HH2    34 VAL  QG1     4.85            #peak   207 #SUP  0.96  #QF  0.96
 17 ILE  HA     27 TRP  HH2     5.41            #peak   208 #SUP  0.98  #QF  0.98
 12 TYR  HB2    27 TRP  HH2     5.25            #peak   209 #SUP  0.98  #QF  0.98
 30 LEU  HB3    35 TYR  QD      4.47            #peak   210 #SUP  0.95  #QF  0.95
 35 TYR  QE     80 ILE  HG21    3.75            #peak   213 #SUP  0.84  #QF  0.84
 35 TYR  QE     79 PHE  QB      4.42            #peak   215 #SUP  0.97  #QF  0.97
 78 THR  QG2    79 PHE  HZ      3.83            #peak   221 #SUP  0.86  #QF  0.86
 30 LEU  HG     31 HIS  HD2     4.96            #peak   222 #SUP  1.00
 31 HIS  HA     31 HIS  HE1     5.50            #peak   223 #SUP  0.97  #QF  0.97
 60 THR  HA     63 PHE  H       4.47            #peak   224 #SUP  0.97  #QF  0.97
  9 VAL  QG2    12 TYR  QE      5.50            #peak   226 #SUP  0.26  #QF  0.26
 12 TYR  QE     17 ILE  HG22    5.50            #peak   227 #SUP  0.95  #QF  0.95
 12 TYR  HB3    27 TRP  HH2     5.25            #peak   230 #SUP  0.92  #QF  0.92
 17 ILE  HB     27 TRP  HE3     4.54            #peak   233 #SUP  0.92  #QF  0.73
 27 TRP  HE3    34 VAL  QG1     4.72            #peak   234 #SUP  0.95  #QF  0.92
 12 TYR  QD     17 ILE  HG22    4.62            #peak   237 #SUP  0.96  #QF  0.96
 11 TYR  HA     82 GLY  HA2     5.50            #peak   243 #SUP  0.97  #QF  0.90
 10 LYS  QB     11 TYR  HA      5.26            #peak   244 #SUP  0.82  #QF  0.82
  9 VAL  QG1    11 TYR  HA      5.50            #peak   245 #SUP  0.81  #QF  0.81
  9 VAL  QG2    11 TYR  HA      4.93            #peak   246 #SUP  0.22  #QF  0.22
 11 TYR  HA     11 TYR  QE      4.30            #peak   247 #SUP  0.89  #QF  0.89
 27 TRP  HZ3    81 ILE  HD12    5.10            #peak   249 #SUP  0.99  #QF  0.99
 27 TRP  HZ3    34 VAL  QG1     4.51            #peak   250 #SUP  0.97  #QF  0.97
 17 ILE  HG22   27 TRP  HZ3     4.64            #peak   251 #SUP  0.97  #QF  0.97
 12 TYR  HB3    27 TRP  HZ3     5.03            #peak   252 #SUP  0.99  #QF  0.96
 16 GLU  HB3    27 TRP  HZ3     5.50            #peak   252 #SUP  0.99  #QF  0.96
 16 GLU  QG     27 TRP  HZ3     4.63            #peak   253 #SUP  0.91  #QF  0.91
 12 TYR  HB2    27 TRP  HZ3     5.03            #peak   254 #SUP  0.97  #QF  0.97
 17 ILE  HA     27 TRP  HZ3     4.48            #peak   255 #SUP  0.94  #QF  0.94
 12 TYR  HA     27 TRP  HZ3     5.48            #peak   256 #SUP  0.95  #QF  0.95
 17 ILE  HB     27 TRP  HZ3     5.24            #peak   257 #SUP  0.99  #QF  0.99
 41 LEU  QD1    48 GLU  HA      4.93            #peak   259 #SUP  0.93  #QF  0.93
 41 LEU  HB3    48 GLU  HA      4.37            #peak   260 #SUP  0.73  #QF  0.73
 41 LEU  HB2    48 GLU  HA      4.80            #peak   261 #SUP  0.91  #QF  0.91
 48 GLU  HA     49 GLU  HA      5.10            #peak   262 #SUP  0.94  #QF  0.94
 42 GLU  HA     48 GLU  HA      4.56            #peak   263 #SUP  0.94  #QF  0.94
 35 TYR  QD     80 ILE  QG1     5.00            #peak   269 #SUP  0.81  #QF  0.81
 81 ILE  HG23   81 ILE  HD12    3.91            #peak   289 #SUP  0.99  #QF  0.99
 34 VAL  QG1    81 ILE  HD12    3.68            #peak   290 #SUP  0.93  #QF  0.93
 36 ASP  HB2    81 ILE  HD12    3.52            #peak   292 #SUP  0.54  #QF  0.54
 36 ASP  HB3    81 ILE  HD12    4.67            #peak   293 #SUP  1.00
 81 ILE  HA     81 ILE  HD12    4.88            #peak   294 #SUP  0.99  #QF  0.99
 85 HIS  HA     86 PRO  HD3     3.72            #peak   299 #SUP  0.99  #QF  0.97
 35 TYR  HA     80 ILE  HA      3.43            #peak   300 #SUP  0.90  #QF  0.90
 40 PHE  HA     43 GLU  HB2     3.92            #peak   304 #SUP  0.98  #QF  0.98
 40 PHE  HA     43 GLU  QG      3.85            #peak   306 #SUP  0.85  #QF  0.85
 30 LEU  QD1    60 THR  HA      4.41            #peak   314 #SUP  0.96  #QF  0.96
 30 LEU  QD1    35 TYR  QE      4.90            #peak   315 #SUP  0.97  #QF  0.97
 30 LEU  QD1    31 HIS  HD2     4.55            #peak   317 #SUP  0.99  #QF  0.99
 30 LEU  HB3    30 LEU  QD1     4.16            #peak   321 #SUP  0.79  #QF  0.79
 30 LEU  QD1    59 ALA  QB      4.39            #peak   322 #SUP  0.99  #QF  0.99
 81 ILE  HB     81 ILE  HD12    4.09            #peak   328 #SUP  1.00
 34 VAL  HB     81 ILE  HD12    4.49            #peak   331 #SUP  0.90  #QF  0.90
 30 LEU  QD2    59 ALA  QB      4.39            #peak   332 #SUP  0.97  #QF  0.97
 30 LEU  HB3    30 LEU  QD2     4.16            #peak   336 #SUP  0.72  #QF  0.72
 14 LEU  HA     17 ILE  HG12    3.72            #peak   339 #SUP  0.97  #QF  0.66
 14 LEU  HA     17 ILE  HG13    4.23            #peak   339 #SUP  0.97  #QF  0.66
 30 LEU  QD2    60 THR  HA      4.41            #peak   340 #SUP  0.96  #QF  0.96
 80 ILE  HG21   80 ILE  QG1     3.40            #peak   341 #SUP  0.87  #QF  0.87
 61 GLU  HA     62 ASN  HA      4.73            #peak   348 #SUP  0.46  #QF  0.46
 36 ASP  HB3    81 ILE  HG21    4.95            #peak   361 #SUP  0.94  #QF  0.24
 60 THR  HA     60 THR  QG2     2.93            #peak   362 #SUP  0.93  #QF  0.93
 34 VAL  QG2    81 ILE  HD12    4.52            #peak   365 #SUP  0.89  #QF  0.89
 22 HIS  HA     22 HIS  HD2     3.61            #peak   373 #SUP  0.93  #QF  0.93
 20 HIS  HA     22 HIS  HD2     3.36            #peak   374 #SUP  0.70  #QF  0.70
 22 HIS  HB2    22 HIS  HD2     3.44            #peak   375 #SUP  0.87  #QF  0.87
 21 ASN  HB2    22 HIS  HD2     5.50            #peak   377 #SUP  0.81  #QF  0.74
 19 LYS  QB     22 HIS  HD2     5.03            #peak   379 #SUP  0.59  #QF  0.59
 18 LYS  HA     19 LYS  HA      4.79            #peak   389 #SUP  0.73  #QF  0.73
 52 ARG  HA     55 ALA  QB      3.23            #peak   392 #SUP  0.91  #QF  0.91
 52 ARG  HA     52 ARG  QG      3.48            #peak   393 #SUP  0.87  #QF  0.87
 52 ARG  HA     52 ARG  QD      3.88            #peak   396 #SUP  0.93  #QF  0.93
 52 ARG  QD     53 GLU  HB3     3.39            #peak   399 #SUP  0.94  #QF  0.94
 26 THR  QG2    52 ARG  QD      5.50            #peak   401 #SUP  0.78  #QF  0.78
 48 GLU  QG     52 ARG  QD      5.25            #peak   402 #SUP  0.96  #QF  0.96
 28 LEU  QD2    51 LEU  HA      4.82            #peak   404 #SUP  0.90  #QF  0.90
 28 LEU  QD1    51 LEU  HA      4.82            #peak   405 #SUP  0.89  #QF  0.89
 41 LEU  QD2    51 LEU  HA      4.38            #peak   407 #SUP  0.87  #QF  0.87
 80 ILE  HA     80 ILE  HG22    3.93            #peak   408 #SUP  0.89  #QF  0.89
 80 ILE  HA     80 ILE  HD13    3.31            #peak   411 #SUP  0.30  #QF  0.30
 80 ILE  HA     81 ILE  HG23    4.45            #peak   412 #SUP  0.87  #QF  0.87
 80 ILE  HA     80 ILE  QG1     3.91            #peak   413 #SUP  0.90  #QF  0.83
 80 ILE  HA     81 ILE  HD12    5.18            #peak   414 #SUP  0.93  #QF  0.93
 80 ILE  QG1    82 GLY  HA2     4.62            #peak   419 #SUP  0.80  #QF  0.72
 80 ILE  HD12   82 GLY  HA2     5.16            #peak   419 #SUP  0.80  #QF  0.72
 39 LYS  QD     39 LYS  QE      2.87            #peak   420 #SUP  0.98  #QF  0.98
 10 LYS  HA     10 LYS  QE      4.27            #peak   422 #SUP  0.96  #QF  0.44
 50 VAL  HA     53 GLU  HG2     3.72            #peak   423 #SUP  0.90  #QF  0.87
 10 LYS  HA     10 LYS  QB      2.87            #peak   424 #SUP  0.98  #QF  0.96
 77 LYS  HA     77 LYS  QG      3.11            #peak   424 #SUP  0.98  #QF  0.96
 28 LEU  QD1    55 ALA  HA      4.31            #peak   425 #SUP  0.91  #QF  0.91
 28 LEU  QD2    55 ALA  HA      4.31            #peak   426 #SUP  0.95  #QF  0.95
 26 THR  QG2    55 ALA  HA      3.07            #peak   427 #SUP  0.89  #QF  0.89
 53 GLU  HA     53 GLU  HG2     3.93            #peak   429 #SUP  0.99  #QF  0.99
 19 LYS  HA     19 LYS  QD      3.48            #peak   431 #SUP  0.98  #QF  0.98
 19 LYS  HA     19 LYS  QB      2.75            #peak   432 #SUP  1.00
 61 GLU  HA     61 GLU  HG3     4.14            #peak   434 #SUP  0.96  #QF  0.96
 30 LEU  HB3    60 THR  HA      4.31            #peak   438 #SUP  0.83  #QF  0.83
 59 ALA  QB     60 THR  HA      4.49            #peak   439 #SUP  0.97  #QF  0.97
 30 LEU  HG     60 THR  HA      4.80            #peak   440 #SUP  0.96  #QF  0.96
 59 ALA  QB     62 ASN  HB2     4.07            #peak   443 #SUP  0.98  #QF  0.98
 15 GLU  HA     15 GLU  QB      2.83            #peak   445 #SUP  0.95  #QF  0.95
 17 ILE  QD1    27 TRP  H       5.40            #peak   454 #SUP  0.87  #QF  0.87
 42 GLU  HA     42 GLU  QG      3.48            #peak   460 #SUP  0.95  #QF  0.95
  4 GLN  QG      4 GLN  HE21    2.83            #peak  1241
  4 GLN  QG      4 GLN  HE22    3.38            #peak  1240
  6 ASP  QB      7 LYS  HA      4.70            #peak  1410
  8 ASP  H       8 ASP  QB      3.23            #peak   171
  8 ASP  HA      8 ASP  QB      2.44            #peak    32
  8 ASP  QB      9 VAL  H       2.97            #peak   176
 11 TYR  HB3    86 PRO  QD      4.52            #peak   994
 11 TYR  QE     86 PRO  QG      3.77            #peak    92
 11 TYR  QE     86 PRO  QD      3.25            #peak    88
 12 TYR  H      12 TYR  QB      3.32            #peak   327
 12 TYR  H      14 LEU  QQD     5.44            #peak   789
 12 TYR  QB     13 THR  H       3.69            #peak   329
 12 TYR  QB     17 ILE  H       4.39            #peak   978
 12 TYR  QB     17 ILE  HG21    4.03            #peak   367
 13 THR  H      14 LEU  QQD     5.23            #peak  1269
 13 THR  HA     14 LEU  QB      5.18            #peak    68
 13 THR  HA     14 LEU  QQD     3.77            #peak   782
 14 LEU  H      14 LEU  QB      3.21            #peak   364
 14 LEU  H      14 LEU  QQD     3.45            #peak   362
 14 LEU  H      88 ASP  QB      4.60            #peak   476
 14 LEU  HA     14 LEU  QQD     3.75            #peak    70
 14 LEU  QB     15 GLU  H       3.08            #peak   368
 14 LEU  QQD    15 GLU  H       3.85            #peak   366
 14 LEU  QQD    16 GLU  H       5.27            #peak  1569
 14 LEU  QQD    17 ILE  H       5.23            #peak  1350
 14 LEU  QQD    17 ILE  HB      5.44            #peak   732
 14 LEU  QQD    17 ILE  HG12    4.09            #peak   791
 14 LEU  QQD    84 LEU  H       5.34            #peak   788
 14 LEU  QQD    84 LEU  HA      4.09            #peak   782
 14 LEU  QQD    85 HIS  H       3.42            #peak  1095
 14 LEU  QQD    88 ASP  H       3.83            #peak  1101
 14 LEU  QQD    88 ASP  QB      3.56            #peak   787
 17 ILE  QD1    56 GLY  QA      4.55            #peak   252
 18 LYS  QB     56 GLY  QA      4.37            #peak   250
 19 LYS  H      56 GLY  QA      5.34            #peak  1271
 20 HIS  H      20 HIS  QB      3.24            #peak   562
 20 HIS  H      56 GLY  QA      4.78            #peak   986
 20 HIS  QB     22 HIS  H       4.58            #peak   559
 20 HIS  QB     22 HIS  HD2     5.34            #peak   377
 20 HIS  QB     27 TRP  H       3.82            #peak   761
 21 ASN  H      25 SER  QB      5.34            #peak   529
 21 ASN  H      56 GLY  QA      4.37            #peak   991
 21 ASN  HA     56 GLY  QA      4.77            #peak   108
 21 ASN  HB2    56 GLY  QA      4.54            #peak   871
 21 ASN  HB3    56 GLY  QA      4.44            #peak  1167
 22 HIS  H      23 SER  QB      5.24            #peak   996
 22 HIS  H      25 SER  QB      4.34            #peak   530
 22 HIS  HA     23 SER  QB      4.85            #peak   657
 23 SER  QB     24 LYS  H       4.22            #peak  1000
 24 LYS  H      24 LYS  QG      3.73            #peak   553
 24 LYS  HA     24 LYS  QG      3.54            #peak   121
 24 LYS  QG     25 SER  H       3.62            #peak   754
 24 LYS  QG     38 THR  QG2     5.07            #peak   962
 25 SER  H      25 SER  QB      3.17            #peak   120
 27 TRP  H      56 GLY  QA      5.16            #peak   375
 27 TRP  HA     28 LEU  QB      5.34            #peak   456
 27 TRP  HA     28 LEU  QQD     5.44            #peak   264
 28 LEU  H      28 LEU  QB      3.69            #peak   580
 28 LEU  HA     28 LEU  QQD     4.32            #peak  1203
 28 LEU  QB     29 ILE  H       3.17            #peak   587
 28 LEU  QB     30 LEU  H       5.23            #peak  1016
 28 LEU  QB     30 LEU  QQD     4.59            #peak   324
 28 LEU  QB     35 TYR  H       4.33            #peak   781
 28 LEU  QB     35 TYR  QD      4.05            #peak    15
 28 LEU  QB     55 ALA  HA      4.62            #peak   237
 28 LEU  QB     56 GLY  H       5.17            #peak  1052
 28 LEU  QB     57 GLY  H       5.34            #peak  1011
 28 LEU  QB     59 ALA  H       4.81            #peak  1061
 28 LEU  QB     59 ALA  QB      4.29            #peak   765
 28 LEU  QQD    29 ILE  H       3.89            #peak   770
 28 LEU  QQD    30 LEU  HG      4.27            #peak   334
 28 LEU  QQD    30 LEU  QQD     3.62            #peak   325
 28 LEU  QQD    35 TYR  H       5.44            #peak   453
 28 LEU  QQD    37 LEU  H       4.59            #peak   943
 28 LEU  QQD    37 LEU  QB      4.23            #peak  1027
 28 LEU  QQD    37 LEU  QQD     3.48            #peak  1219
 28 LEU  QQD    51 LEU  HA      4.11            #peak   404
 28 LEU  QQD    51 LEU  QB      4.96            #peak  1207
 28 LEU  QQD    52 ARG  HA      5.44            #peak   397
 28 LEU  QQD    54 GLN  H       3.95            #peak   823
 28 LEU  QQD    54 GLN  HG3     4.65            #peak  1213
 28 LEU  QQD    54 GLN  HE21    5.17            #peak  1639
 28 LEU  QQD    55 ALA  H       3.90            #peak   828
 28 LEU  QQD    55 ALA  HA      3.39            #peak   426
 28 LEU  QQD    56 GLY  H       4.36            #peak  1417
 28 LEU  QQD    57 GLY  H       4.10            #peak   831
 28 LEU  QQD    58 ASP  H       5.44            #peak  1518
 28 LEU  QQD    59 ALA  H       4.31            #peak  1519
 28 LEU  QQD    59 ALA  QB      3.61            #peak  1210
 29 ILE  H      29 ILE  QG1     4.21            #peak   588
 29 ILE  H      30 LEU  QQD     5.17            #peak  1386
 29 ILE  H      58 ASP  QB      4.88            #peak  1011
 29 ILE  HA     29 ILE  QG1     3.51            #peak   464
 29 ILE  QG1    32 HIS  HA      4.98            #peak   899
 29 ILE  QG1    33 LYS  H       3.84            #peak  1017
 29 ILE  QG1    34 VAL  HA      5.03            #peak   772
 29 ILE  QG1    34 VAL  QG1     4.00            #peak   935
 29 ILE  QG1    34 VAL  QG2     3.67            #peak   397
 29 ILE  QG1    58 ASP  HA      5.07            #peak   915
 29 ILE  QG1    84 LEU  H       5.15            #peak  1551
 30 LEU  H      30 LEU  QQD     4.08            #peak   591
 30 LEU  HA     30 LEU  QQD     4.26            #peak   944
 30 LEU  QQD    31 HIS  H       3.97            #peak  1153
 30 LEU  QQD    31 HIS  HD2     3.63            #peak    32
 30 LEU  QQD    35 TYR  QD      3.74            #peak   316
 30 LEU  QQD    35 TYR  QE      3.90            #peak   315
 30 LEU  QQD    59 ALA  H       4.00            #peak  1062
 30 LEU  QQD    59 ALA  QB      3.38            #peak   332
 30 LEU  QQD    60 THR  H       3.80            #peak   946
 30 LEU  QQD    60 THR  HA      2.97            #peak   340
 30 LEU  QQD    60 THR  HB      4.25            #peak   369
 30 LEU  QQD    60 THR  QG2     3.49            #peak   335
 30 LEU  QQD    61 GLU  H       4.54            #peak  1067
 30 LEU  QQD    62 ASN  H       4.67            #peak  1288
 30 LEU  QQD    63 PHE  H       3.85            #peak  1070
 30 LEU  QQD    63 PHE  QB      4.11            #peak  1214
 30 LEU  QQD    64 GLU  H       4.45            #peak  1071
 31 HIS  HE1    64 GLU  QB      5.34            #peak    66
 32 HIS  QB     84 LEU  H       5.34            #peak  1552
 37 LEU  H      37 LEU  QB      3.33            #peak  1256
 37 LEU  H      37 LEU  QQD     3.52            #peak   610
 37 LEU  HA     37 LEU  QQD     4.02            #peak   161
 37 LEU  QB     38 THR  H       4.19            #peak   938
 37 LEU  QB     40 PHE  H       3.65            #peak  1036
 37 LEU  QB     40 PHE  HA      5.21            #peak   308
 37 LEU  QB     40 PHE  HD1     5.34            #peak   176
 37 LEU  QB     41 LEU  H       4.44            #peak  1042
 37 LEU  QB     79 PHE  QD      4.19            #peak    84
 37 LEU  QQD    38 THR  H       4.60            #peak   937
 37 LEU  QQD    79 PHE  QD      4.24            #peak   100
 39 LYS  H      39 LYS  QB      3.21            #peak   617
 39 LYS  QB     40 PHE  H       3.68            #peak  1033
 40 PHE  HA     43 GLU  QB      3.43            #peak   178
 40 PHE  HD1    43 GLU  QB      4.53            #peak  1296
 42 GLU  H      43 GLU  QB      4.81            #peak  1302
 43 GLU  H      43 GLU  QB      2.82            #peak   527
 43 GLU  H      44 HIS  QB      4.67            #peak  1045
 43 GLU  QB     44 HIS  H       3.62            #peak   794
 44 HIS  H      44 HIS  QB      3.65            #peak   249
 47 GLY  QA     48 GLU  HA      4.23            #peak   464
 47 GLY  QA     49 GLU  H       3.95            #peak   296
 48 GLU  H      49 GLU  QB      4.08            #peak   541
 48 GLU  HA     51 LEU  QQD     4.31            #peak   258
 49 GLU  H      49 GLU  QB      3.02            #peak   544
 49 GLU  H      50 VAL  QQG     4.53            #peak  1608
 49 GLU  QB     50 VAL  H       3.41            #peak   800
 50 VAL  H      50 VAL  QQG     3.27            #peak   622
 50 VAL  QQG    51 LEU  H       4.25            #peak   623
 50 VAL  QQG    52 ARG  H       5.33            #peak   842
 51 LEU  H      51 LEU  QQD     3.94            #peak   627
 51 LEU  HA     51 LEU  QQD     3.51            #peak   406
 55 ALA  HA     56 GLY  QA      4.39            #peak   240
 55 ALA  QB     56 GLY  QA      4.57            #peak   251
 56 GLY  H      57 GLY  QA      5.25            #peak    25
 56 GLY  QA     57 GLY  H       3.03            #peak   642
 60 THR  H      61 GLU  QG      4.73            #peak  1613
 60 THR  QG2    61 GLU  QG      5.29            #peak   364
 60 THR  QG2    64 GLU  QB      4.40            #peak   363
 60 THR  QG2    64 GLU  QG      4.43            #peak   406
 61 GLU  H      61 GLU  QG      3.04            #peak   409
 61 GLU  HA     61 GLU  QG      3.42            #peak   276
 61 GLU  HA     64 GLU  QB      3.77            #peak   278
 61 GLU  HA     64 GLU  QG      4.79            #peak   703
 61 GLU  QG     62 ASN  HB2     4.33            #peak   860
 61 GLU  QG     62 ASN  HB3     5.08            #peak   858
 62 ASN  H      63 PHE  QB      4.26            #peak  1068
 62 ASN  H      64 GLU  QG      5.34            #peak  1292
 62 ASN  HA     64 GLU  QG      4.74            #peak   289
 63 PHE  H      63 PHE  QB      3.22            #peak   651
 63 PHE  H      64 GLU  QG      4.57            #peak  1293
 63 PHE  QB     64 GLU  H       4.25            #peak   654
 64 GLU  H      64 GLU  QB      3.19            #peak   658
 64 GLU  H      64 GLU  QG      3.46            #peak   657
 64 GLU  HA     64 GLU  QG      3.66            #peak   293
 64 GLU  HA     67 GLY  QA      5.01            #peak   471
 64 GLU  QB     65 ASP  H       3.65            #peak   661
 64 GLU  QB     66 VAL  H       5.34            #peak  1531
 64 GLU  QG     65 ASP  H       2.84            #peak   311
 64 GLU  QG     65 ASP  HA      4.99            #peak   704
 66 VAL  HA     67 GLY  QA      4.65            #peak   470
 69 SER  QB     70 THR  H       3.39            #peak  1073
 69 SER  QB     71 ASP  H       3.63            #peak  1439
 69 SER  QB     72 ALA  H       4.73            #peak  1297
 69 SER  QB     73 ARG  H       5.30            #peak  1618
 70 THR  HA     73 ARG  QB      3.61            #peak   583
 70 THR  HB     71 ASP  QB      4.63            #peak   593
 70 THR  QG2    73 ARG  QB      4.45            #peak   605
 70 THR  QG2    74 GLU  QG      3.30            #peak   604
 71 ASP  H      71 ASP  QB      2.82            #peak    38
 71 ASP  HA     74 GLU  QG      3.74            #peak   848
 71 ASP  QB     72 ALA  H       3.38            #peak    45
 72 ALA  H      73 ARG  QB      4.78            #peak  1441
 73 ARG  H      73 ARG  QB      3.44            #peak   436
 73 ARG  H      74 GLU  QG      4.73            #peak   851
 73 ARG  QB     74 GLU  HA      4.77            #peak   206
 73 ARG  QB     74 GLU  QG      4.72            #peak   838
 74 GLU  H      74 GLU  QG      2.86            #peak   440
 74 GLU  QG     75 LEU  H       4.17            #peak   849
 75 LEU  H      75 LEU  QB      2.96            #peak   674
 75 LEU  H      75 LEU  QQD     4.92            #peak  1255
 75 LEU  QB     76 SER  H       3.46            #peak   677
 75 LEU  QQD    76 SER  H       5.06            #peak  1075
 75 LEU  QQD    78 THR  H       4.65            #peak  1537
 75 LEU  QQD    79 PHE  QE      5.00            #peak    90
 83 GLU  HA     84 LEU  QB      4.57            #peak  1311
 83 GLU  HB3    84 LEU  QB      5.06            #peak   990
 84 LEU  H      84 LEU  QB      3.57            #peak  1090
 84 LEU  QB     89 ARG  QB      5.18            #peak   990
 85 HIS  H      86 PRO  QD      4.74            #peak  1098
 85 HIS  HA     86 PRO  QG      4.59            #peak   541
 85 HIS  HA     86 PRO  QD      3.13            #peak   299
 85 HIS  HA     89 ARG  QB      5.34            #peak  1146
 85 HIS  HB2    86 PRO  QD      4.59            #peak   995
 85 HIS  HB3    86 PRO  QD      4.72            #peak   994
 85 HIS  HD2    86 PRO  QD      3.72            #peak    89
 85 HIS  HE1    86 PRO  QD      4.89            #peak   569
 86 PRO  HA     89 ARG  QB      3.31            #peak  1147
 86 PRO  QG     87 ASP  H       4.62            #peak  1632
 86 PRO  QD     87 ASP  H       3.72            #peak   532
 86 PRO  QD     88 ASP  H       4.63            #peak  1103
 86 PRO  QD     89 ARG  QB      5.14            #peak   565
 87 ASP  H      87 ASP  QB      3.47            #peak   529
 87 ASP  H      89 ARG  QB      4.81            #peak   531
 87 ASP  QB     88 ASP  H       4.08            #peak   475
 88 ASP  H      88 ASP  QB      3.30            #peak   502
 88 ASP  H      89 ARG  QB      4.13            #peak   717
 88 ASP  QB     89 ARG  H       3.86            #peak   505
 88 ASP  QB     89 ARG  QG      5.26            #peak  1082
 89 ARG  H      89 ARG  QB      2.89            #peak   860
 92 LEU  H      92 LEU  QQD     3.43            #peak  1162
 94 LYS  QB     95 PRO  QD      3.82            #peak   446
 94 LYS  QD     95 PRO  QD      4.81            #peak  1052
 95 PRO  QB     96 MET  H       3.95            #peak   885
 95 PRO  QB     97 GLU  H       4.73            #peak  1226
 96 MET  H      96 MET  QB      3.14            #peak   884
 96 MET  QB     97 GLU  H       3.67            #peak   719
 97 GLU  H      97 GLU  QB      3.19            #peak   718
 97 GLU  QB     98 THR  H       3.83            #peak  1183
 98 THR  H      99 LEU  QQD     5.44            #peak  1634
 99 LEU  H      99 LEU  QQD     3.70            #peak   730
104 ASP  H     104 ASP  QB      3.39            #peak   897
106 ASN  H     106 ASN  QB      3.49            #peak  1194
112 ASN  QB    112 ASN  QD2     2.90            #peak    48
123 VAL  QQG   124 ALA  H       4.20            #peak  1557
126 MET  H     126 MET  QB      3.11            #peak  1184
126 MET  QB    127 TYR  H       3.79            #peak   739
127 TYR  H     127 TYR  QB      3.23            #peak   742
127 TYR  QB    128 ARG  H       4.32            #peak  1207
132 ALA  HA    133 ASP  QB      4.42            #peak   672
132 ALA  QB    133 ASP  QB      3.76            #peak  1366
132 ALA  QB    134 ASP  QB      4.40            #peak  1319
133 ASP  H     133 ASP  QB      3.03            #peak   911
133 ASP  HA    133 ASP  QB      2.56            #peak   628
133 ASP  QB    134 ASP  H       2.89            #peak   725
134 ASP  H     134 ASP  QB      2.39            #peak   724
assign (resid 400 and name HAB and segid B) (resid  28 and name HD1# and segid A) 5.0 3.2 0.0
assign (resid 400 and name HBC2 and segid B) (resid  28 and name HD2# and segid A) 5.0 3.2 0.0
assign (resid 400 and name HMC1 and segid B) (resid  28 and name HD2# and segid A) 5.0 3.2 0.0
assign (resid 400 and name "FE+3" and segid B) (resid  30 and name HE and segid A) 5.0 3.2 0.0
assign (resid 400 and name "FE+3" and segid B) (resid  44 and name NE2 and segid A) 2.2 0.0 0.0
assign (resid 400 and name "FE+3" and segid B) (resid  68 and name NE2 and segid A) 2.2 0.0 0.0
assign (resid 400 and name HMC1  and segid B) (resid  30 and name HD1# and segid A) 5.0 3.2 0.0
assign (resid 400 and name HMC1  and segid B) (resid  30 and name HD2# and segid A) 5.0 3.2 0.0
assign (resid 400 and name HBB2 and segid B) (resid  30 and name HD1# and segid A) 5.0 3.2 0.0
assign (resid 400 and name HB and segid B) (resid  44 and name HD2 and segid A) 5.0 2.0 0.0
assign (resid 400 and name HD and segid B) (resid  44 and name HE1 and segid A) 5.0 2.0 0.0
assign (resid 400 and name HB and segid B) (resid  68 and name HD2 and segid A) 5.0 2.0 0.0
assign (resid 400 and name HD and segid B) (resid  68 and name HE1 and segid A) 5.0 2.0 0.0
assign (resid 400 and name HMB2 and segid B) (resid  44 and name HD2 and segid A) 5.0 2.0 0.0
assign (resid 400 and name HMA2 and segid B) (resid  44 and name HD2 and segid A) 5.0 2.0 0.0
assign (resid 400 and name HAC and segid B) (resid  44 and name HE1 and segid A) 5.0 2.0 0.0
assign (resid 400 and name HMD1 and segid B) (resid  44 and name HE1 and segid A) 5.0 2.0 0.0
assign (resid 400 and name HMB1 and segid B) (resid  68 and name HD2 and segid A) 5.0 2.0 0.0
assign (resid 400 and name HMA3 and segid B) (resid  68 and name HD2 and segid A) 5.0 2.0 0.0
assign (resid 400 and name HMC3 and segid B) (resid  68 and name HE1 and segid A) 5.0 2.0 0.0
hbond atom1=H residue1=12 atom2=O residue2=83
hbond atom1=O residue1=29 atom2=H residue2=59
hbond atom1=H residue1=29 atom2=O residue2=57
hbond atom1=O residue1=41 atom2=H residue2=44
hbond atom1=H residue1=17 atom2=O residue2=13
hbond atom1=O residue1=69 atom2=H residue2=72
hbond atom1=H residue1=16 atom2=O residue2=13
hbond atom1=O residue1=69 atom2=H residue2=73
hbond atom1=O residue1=70 atom2=H residue2=74
hbond atom1=H residue1=19 atom2=O residue2=16
hbond atom1=H residue1=56 atom2=O residue2=27
hbond atom1=O residue1=76 atom2=H residue2=79
hbond atom1=H residue1=30 atom2=O residue2=33
hbond atom1=O residue1=71 atom2=H residue2=75
hbond atom1=H residue1=35 atom2=O residue2=28
hbond atom1=O residue1=72 atom2=H residue2=76
hbond atom1=H residue1=34 atom2=O residue2=82
hbond atom1=H residue1=89 atom2=O residue2=86
hbond atom1=O residue1=40 atom2=H residue2=44
hbond atom1=H residue1=66 atom2=O residue2=63
hbond atom1=H residue1=81 atom2=O residue2=34
hbond atom1=O residue1=82 atom2=H residue2=34
hbond atom1=H residue1=54 atom2=O residue2=51
hbond atom1=H residue1=55 atom2=O residue2=52
hbond atom1=H residue1=51 atom2=O residue2=48
hbond atom1=H residue1=53 atom2=O residue2=49
hbond atom1=H residue1=62 atom2=O residue2=59
hbond atom1=H residue1=66 atom2=O residue2=63
hbond atom1=H residue1=67 atom2=O residue2=63
hbond atom1=H residue1=63 atom2=O residue2=59
hbond atom1=H residue1=57 atom2=O residue2=54
hbond atom1=H residue1=52 atom2=O residue2=48
hbond atom1=H residue1=78 atom2=O residue2=75
hbond atom1=H residue1=36 atom2=O residue2=79
hbond atom1=H residue1=83 atom2=O residue2=10
hbond atom1=H residue1=90 atom2=O residue2=86
hbond atom1=H residue1=92 atom2=O residue2=87
hbond atom1=H residue1=43 atom2=O residue2=40
hbond atom1=H residue1=77 atom2=O residue2=74


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           HT1      MET   1  18.579 -15.191  16.922
    2    H2   MET   1           HT2      MET   1  20.244 -15.132  17.217
    3    H3   MET   1           HT3      MET   1  19.527 -14.007  16.179
    4    HA   MET   1           HA       MET   1  18.877 -14.254  19.042
    5    HB2  MET   1           HB2      MET   1  20.935 -12.585  17.631
    6    HB3  MET   1           HB1      MET   1  20.174 -11.989  19.098
    7    HG2  MET   1           HG2      MET   1  22.310 -13.093  19.547
    8    HG3  MET   1           HG1      MET   1  20.962 -13.917  20.330
    9    HE1  MET   1           HE1      MET   1  23.164 -16.980  19.608
   10    HE2  MET   1           HE2      MET   1  21.916 -16.358  20.687
   11    HE3  MET   1           HE3      MET   1  23.397 -15.440  20.434
   12    H    ALA   2           HN       ALA   2  19.123 -11.714  16.534
   13    HA   ALA   2           HA       ALA   2  16.256 -11.229  16.806
   14    HB1  ALA   2           HB1      ALA   2  17.366  -9.795  18.490
   15    HB2  ALA   2           HB2      ALA   2  16.514  -8.875  17.250
   16    HB3  ALA   2           HB3      ALA   2  18.271  -9.019  17.192
   17    H    ALA   3           HN       ALA   3  17.868 -12.308  14.678
   18    HA   ALA   3           HA       ALA   3  17.174 -10.358  12.614
   19    HB1  ALA   3           HB1      ALA   3  19.533  -9.989  12.993
   20    HB2  ALA   3           HB2      ALA   3  19.294 -10.764  11.426
   21    HB3  ALA   3           HB3      ALA   3  19.858 -11.710  12.805
   22    H    GLN   4           HN       GLN   4  15.992 -11.285  11.100
   23    HA   GLN   4           HA       GLN   4  16.527 -13.985  10.208
   24    HB2  GLN   4           HB2      GLN   4  14.050 -14.584  10.492
   25    HB3  GLN   4           HB1      GLN   4  15.066 -14.638  11.925
   26    HG2  GLN   4           HG2      GLN   4  13.853 -12.037  11.558
   27    HG3  GLN   4           HG1      GLN   4  12.652 -13.324  11.648
   28   HE21  GLN   4          HE21      GLN   4  11.933 -12.503  13.648
   29   HE22  GLN   4          HE22      GLN   4  12.830 -12.773  15.102
   30    H    SER   5           HN       SER   5  16.456 -13.909   8.076
   31    HA   SER   5           HA       SER   5  15.118 -11.764   6.698
   32    HB2  SER   5           HB2      SER   5  16.322 -14.155   5.329
   33    HB3  SER   5           HB1      SER   5  16.287 -12.471   4.803
   34    HG   SER   5           HG       SER   5  17.990 -12.033   6.012
   35    H    ASP   6           HN       ASP   6  12.941 -12.255   7.361
   36    HA   ASP   6           HA       ASP   6  11.765 -14.724   6.362
   37    HB2  ASP   6           HB2      ASP   6  11.194 -13.853   8.631
   38    HB3  ASP   6           HB1      ASP   6  10.433 -12.466   7.860
   39    H    LYS   7           HN       LYS   7  11.112 -14.822   4.346
   40    HA   LYS   7           HA       LYS   7   9.932 -12.420   3.096
   41    HB2  LYS   7           HB2      LYS   7  11.236 -14.688   1.591
   42    HB3  LYS   7           HB1      LYS   7  10.822 -13.090   0.991
   43    HG2  LYS   7           HG2      LYS   7  12.915 -13.601   3.090
   44    HG3  LYS   7           HG1      LYS   7  13.258 -13.485   1.363
   45    HD2  LYS   7           HD2      LYS   7  12.533 -11.211   1.299
   46    HD3  LYS   7           HD1      LYS   7  11.894 -11.309   2.941
   47    HE2  LYS   7           HE2      LYS   7  14.139 -11.595   3.824
   48    HE3  LYS   7           HE1      LYS   7  14.804 -11.594   2.189
   49    HZ1  LYS   7           HZ1      LYS   7  13.399  -9.324   3.488
   50    HZ2  LYS   7           HZ2      LYS   7  14.032  -9.321   1.919
   51    HZ3  LYS   7           HZ3      LYS   7  15.068  -9.448   3.245
   52    H    ASP   8           HN       ASP   8   7.801 -12.641   2.874
   53    HA   ASP   8           HA       ASP   8   6.706 -15.151   1.880
   54    HB2  ASP   8           HB2      ASP   8   6.650 -14.908   4.519
   55    HB3  ASP   8           HB1      ASP   8   5.264 -13.878   4.172
   56    H    VAL   9           HN       VAL   9   4.088 -14.667   1.819
   57    HA   VAL   9           HA       VAL   9   3.568 -11.958   0.940
   58    HB   VAL   9           HB       VAL   9   4.460 -12.791  -1.112
   59   HG11  VAL   9          HG11      VAL   9   2.622 -15.160  -0.799
   60   HG12  VAL   9          HG12      VAL   9   4.385 -15.166  -0.732
   61   HG13  VAL   9          HG13      VAL   9   3.562 -14.797  -2.248
   62   HG21  VAL   9          HG21      VAL   9   2.516 -11.410  -1.398
   63   HG22  VAL   9          HG22      VAL   9   1.446 -12.799  -1.197
   64   HG23  VAL   9          HG23      VAL   9   2.491 -12.687  -2.614
   65    H    LYS  10           HN       LYS  10   1.814 -11.558   2.113
   66    HA   LYS  10           HA       LYS  10  -0.235 -13.640   2.395
   67    HB2  LYS  10           HB2      LYS  10   0.813 -12.385   4.377
   68    HB3  LYS  10           HB1      LYS  10  -0.149 -11.009   3.860
   69    HG2  LYS  10           HG2      LYS  10  -2.179 -12.155   4.285
   70    HG3  LYS  10           HG1      LYS  10  -1.345 -13.695   4.493
   71    HD2  LYS  10           HD2      LYS  10  -0.998 -11.291   6.284
   72    HD3  LYS  10           HD1      LYS  10  -2.042 -12.668   6.638
   73    HE2  LYS  10           HE2      LYS  10  -0.108 -14.153   6.606
   74    HE3  LYS  10           HE1      LYS  10   0.940 -12.793   6.212
   75    HZ1  LYS  10           HZ1      LYS  10   0.607 -11.850   8.319
   76    HZ2  LYS  10           HZ2      LYS  10   0.870 -13.494   8.610
   77    HZ3  LYS  10           HZ3      LYS  10  -0.696 -12.866   8.675
   78    H    TYR  11           HN       TYR  11  -1.983 -13.548   1.130
   79    HA   TYR  11           HA       TYR  11  -2.506 -11.193  -0.452
   80    HB2  TYR  11           HB2      TYR  11  -3.653 -13.957  -0.334
   81    HB3  TYR  11           HB1      TYR  11  -4.525 -12.685  -1.182
   82    HD1  TYR  11           HD2      TYR  11  -1.064 -14.100  -0.976
   83    HD2  TYR  11           HD1      TYR  11  -4.109 -12.428  -3.434
   84    HE1  TYR  11           HE2      TYR  11   0.347 -14.449  -2.957
   85    HE2  TYR  11           HE1      TYR  11  -2.701 -12.773  -5.418
   86    HH   TYR  11           HH       TYR  11  -0.108 -12.950  -5.811
   87    H    TYR  12           HN       TYR  12  -3.514  -9.535   0.421
   88    HA   TYR  12           HA       TYR  12  -5.539  -9.985   2.494
   89    HB2  TYR  12           HB2      TYR  12  -4.097  -7.484   1.589
   90    HB3  TYR  12           HB1      TYR  12  -5.371  -7.498   2.800
   91    HD1  TYR  12           HD2      TYR  12  -4.986  -8.832   4.927
   92    HD2  TYR  12           HD1      TYR  12  -1.866  -7.924   2.184
   93    HE1  TYR  12           HE2      TYR  12  -3.324  -9.256   6.686
   94    HE2  TYR  12           HE1      TYR  12  -0.194  -8.339   3.940
   95    HH   TYR  12           HH       TYR  12  -0.088  -8.339   6.420
   96    H    THR  13           HN       THR  13  -7.525  -8.722   2.407
   97    HA   THR  13           HA       THR  13  -8.553  -8.557  -0.314
   98    HB   THR  13           HB       THR  13 -10.565  -7.943   1.606
   99    HG1  THR  13           HG1      THR  13  -9.986  -9.099   3.275
  100   HG21  THR  13          HG21      THR  13 -11.588  -9.979   0.767
  101   HG22  THR  13          HG22      THR  13 -10.047 -10.506   0.096
  102   HG23  THR  13          HG23      THR  13 -10.856  -9.089  -0.569
  103    H    LEU  14           HN       LEU  14  -9.811  -6.681  -0.966
  104    HA   LEU  14           HA       LEU  14  -8.487  -4.264  -0.586
  105    HB2  LEU  14           HB2      LEU  14 -10.026  -4.922  -2.474
  106    HB3  LEU  14           HB1      LEU  14 -11.368  -4.549  -1.409
  107    HG   LEU  14           HG       LEU  14 -10.320  -2.214  -1.202
  108   HD11  LEU  14          HD11      LEU  14  -8.156  -2.667  -2.123
  109   HD12  LEU  14          HD12      LEU  14  -9.002  -1.539  -3.180
  110   HD13  LEU  14          HD13      LEU  14  -8.870  -3.239  -3.629
  111   HD21  LEU  14          HD21      LEU  14 -11.383  -1.477  -3.298
  112   HD22  LEU  14          HD22      LEU  14 -12.384  -2.609  -2.388
  113   HD23  LEU  14          HD23      LEU  14 -11.496  -3.164  -3.808
  114    H    GLU  15           HN       GLU  15 -11.476  -5.440   0.935
  115    HA   GLU  15           HA       GLU  15 -12.002  -3.039   2.351
  116    HB2  GLU  15           HB2      GLU  15 -13.576  -4.453   3.677
  117    HB3  GLU  15           HB1      GLU  15 -13.806  -4.542   1.939
  118    HG2  GLU  15           HG2      GLU  15 -12.046  -6.578   3.159
  119    HG3  GLU  15           HG1      GLU  15 -13.769  -6.686   3.513
  120    H    GLU  16           HN       GLU  16  -9.734  -5.528   2.936
  121    HA   GLU  16           HA       GLU  16  -9.635  -5.074   5.799
  122    HB2  GLU  16           HB2      GLU  16  -8.567  -7.052   3.942
  123    HB3  GLU  16           HB1      GLU  16  -7.385  -6.539   5.138
  124    HG2  GLU  16           HG2      GLU  16  -8.479  -8.438   6.013
  125    HG3  GLU  16           HG1      GLU  16  -9.081  -7.042   6.903
  126    H    ILE  17           HN       ILE  17  -7.640  -4.363   2.947
  127    HA   ILE  17           HA       ILE  17  -5.568  -3.159   4.506
  128    HB   ILE  17           HB       ILE  17  -4.747  -2.259   2.284
  129   HG12  ILE  17          HG12      ILE  17  -5.857  -3.888   0.432
  130   HG13  ILE  17          HG11      ILE  17  -7.269  -3.561   1.430
  131   HG21  ILE  17          HG21      ILE  17  -3.997  -4.497   1.535
  132   HG22  ILE  17          HG22      ILE  17  -5.137  -5.220   2.668
  133   HG23  ILE  17          HG23      ILE  17  -3.804  -4.235   3.269
  134   HD11  ILE  17          HD11      ILE  17  -6.906  -2.035  -0.537
  135   HD12  ILE  17          HD12      ILE  17  -5.523  -1.380   0.341
  136   HD13  ILE  17          HD13      ILE  17  -7.144  -1.250   1.022
  137    H    LYS  18           HN       LYS  18  -8.372  -1.880   2.772
  138    HA   LYS  18           HA       LYS  18  -7.557   0.853   3.136
  139    HB2  LYS  18           HB2      LYS  18  -9.677   1.461   2.163
  140    HB3  LYS  18           HB1      LYS  18  -8.987   0.135   1.237
  141    HG2  LYS  18           HG2      LYS  18 -10.649  -1.283   1.781
  142    HG3  LYS  18           HG1      LYS  18 -10.812  -0.640   3.417
  143    HD2  LYS  18           HD2      LYS  18 -12.811  -0.190   2.077
  144    HD3  LYS  18           HD1      LYS  18 -11.999   1.305   2.543
  145    HE2  LYS  18           HE2      LYS  18 -10.965   1.425   0.321
  146    HE3  LYS  18           HE1      LYS  18 -11.785  -0.068  -0.138
  147    HZ1  LYS  18           HZ1      LYS  18 -13.846   0.972  -0.139
  148    HZ2  LYS  18           HZ2      LYS  18 -12.835   2.144  -0.815
  149    HZ3  LYS  18           HZ3      LYS  18 -13.315   2.276   0.800
  150    H    LYS  19           HN       LYS  19  -8.355  -1.259   5.391
  151    HA   LYS  19           HA       LYS  19  -9.855   0.732   6.965
  152    HB2  LYS  19           HB2      LYS  19 -10.957  -1.546   6.392
  153    HB3  LYS  19           HB1      LYS  19  -9.858  -2.210   7.589
  154    HG2  LYS  19           HG2      LYS  19 -11.885  -1.828   8.715
  155    HG3  LYS  19           HG1      LYS  19 -10.805  -0.527   9.217
  156    HD2  LYS  19           HD2      LYS  19 -12.996   0.377   8.755
  157    HD3  LYS  19           HD1      LYS  19 -11.852   0.950   7.540
  158    HE2  LYS  19           HE2      LYS  19 -12.701  -0.548   5.909
  159    HE3  LYS  19           HE1      LYS  19 -13.632  -1.442   7.109
  160    HZ1  LYS  19           HZ1      LYS  19 -15.027   0.029   5.785
  161    HZ2  LYS  19           HZ2      LYS  19 -14.128   1.369   6.286
  162    HZ3  LYS  19           HZ3      LYS  19 -15.035   0.493   7.411
  163    H    HIS  20           HN       HIS  20  -6.883  -0.463   6.513
  164    HA   HIS  20           HA       HIS  20  -6.211  -0.487   9.382
  165    HB2  HIS  20           HB2      HIS  20  -5.057  -1.891   7.018
  166    HB3  HIS  20           HB1      HIS  20  -3.957  -1.428   8.310
  167    HD1  HIS  20           HD1      HIS  20  -6.900  -3.664   7.602
  168    HD2  HIS  20           HD2      HIS  20  -4.135  -2.937  10.628
  169    HE1  HIS  20           HE1      HIS  20  -7.199  -5.530   9.262
  170    HE2  HIS  20           HE2      HIS  20  -5.410  -5.159  10.997
  171    H    ASN  21           HN       ASN  21  -6.200   1.460   6.732
  172    HA   ASN  21           HA       ASN  21  -3.645   2.727   7.021
  173    HB2  ASN  21           HB2      ASN  21  -4.597   4.417   5.450
  174    HB3  ASN  21           HB1      ASN  21  -4.719   2.766   4.859
  175   HD21  ASN  21          HD21      ASN  21  -6.244   4.843   3.838
  176   HD22  ASN  21          HD22      ASN  21  -7.903   4.572   4.241
  177    H    HIS  22           HN       HIS  22  -3.861   3.008   9.390
  178    HA   HIS  22           HA       HIS  22  -5.403   5.431  10.043
  179    HB2  HIS  22           HB2      HIS  22  -4.535   3.167  11.845
  180    HB3  HIS  22           HB1      HIS  22  -5.254   4.663  12.427
  181    HD1  HIS  22           HD1      HIS  22  -7.766   4.806  12.404
  182    HD2  HIS  22           HD2      HIS  22  -6.320   1.546  10.277
  183    HE1  HIS  22           HE1      HIS  22  -9.787   3.428  11.826
  184    HE2  HIS  22           HE2      HIS  22  -8.853   1.353  10.739
  185    H    SER  23           HN       SER  23  -2.617   3.874  11.671
  186    HA   SER  23           HA       SER  23  -1.015   6.239  11.081
  187    HB2  SER  23           HB2      SER  23  -0.405   6.198  13.638
  188    HB3  SER  23           HB1      SER  23  -1.842   7.056  13.076
  189    HG   SER  23           HG       SER  23  -2.833   5.823  14.461
  190    H    LYS  24           HN       LYS  24  -1.022   3.166  12.916
  191    HA   LYS  24           HA       LYS  24   1.807   2.855  12.178
  192    HB2  LYS  24           HB2      LYS  24   1.826   1.094  13.996
  193    HB3  LYS  24           HB1      LYS  24   1.619   2.756  14.523
  194    HG2  LYS  24           HG2      LYS  24  -0.814   2.359  14.707
  195    HG3  LYS  24           HG1      LYS  24  -0.543   0.672  14.268
  196    HD2  LYS  24           HD2      LYS  24  -0.724   0.850  16.668
  197    HD3  LYS  24           HD1      LYS  24   0.938   0.436  16.241
  198    HE2  LYS  24           HE2      LYS  24   1.597   2.770  16.504
  199    HE3  LYS  24           HE1      LYS  24  -0.067   3.202  16.899
  200    HZ1  LYS  24           HZ1      LYS  24   0.183   1.524  18.775
  201    HZ2  LYS  24           HZ2      LYS  24   0.991   2.996  18.944
  202    HZ3  LYS  24           HZ3      LYS  24   1.848   1.609  18.488
  203    H    SER  25           HN       SER  25  -0.783   2.154  10.688
  204    HA   SER  25           HA       SER  25   0.185  -0.442   9.748
  205    HB2  SER  25           HB2      SER  25  -2.769   0.053  10.109
  206    HB3  SER  25           HB1      SER  25  -1.942  -1.481   9.834
  207    HG   SER  25           HG       SER  25  -0.913  -1.030  11.962
  208    H    THR  26           HN       THR  26   0.337   2.319   8.828
  209    HA   THR  26           HA       THR  26  -1.487   2.757   6.684
  210    HB   THR  26           HB       THR  26   1.240   4.007   6.904
  211    HG1  THR  26           HG1      THR  26   0.616   4.489   8.896
  212   HG21  THR  26          HG21      THR  26   0.081   5.969   6.026
  213   HG22  THR  26          HG22      THR  26  -1.449   5.092   6.060
  214   HG23  THR  26          HG23      THR  26  -0.167   4.578   4.964
  215    H    TRP  27           HN       TRP  27  -1.537   1.336   5.041
  216    HA   TRP  27           HA       TRP  27   1.023   0.551   3.822
  217    HB2  TRP  27           HB2      TRP  27  -1.613  -0.938   3.842
  218    HB3  TRP  27           HB1      TRP  27  -0.174  -1.446   2.964
  219    HD1  TRP  27           HD1      TRP  27   1.827  -0.679   5.479
  220    HE1  TRP  27           HE1      TRP  27   1.956  -2.350   7.424
  221    HE3  TRP  27           HE3      TRP  27  -2.567  -3.164   4.681
  222    HZ2  TRP  27           HZ2      TRP  27   0.380  -4.448   8.495
  223    HZ3  TRP  27           HZ3      TRP  27  -3.184  -4.990   6.207
  224    HH2  TRP  27           HH2      TRP  27  -1.741  -5.620   8.074
  225    H    LEU  28           HN       LEU  28   1.254   0.672   1.624
  226    HA   LEU  28           HA       LEU  28  -0.906   2.054   0.158
  227    HB2  LEU  28           HB2      LEU  28   2.050   2.453   0.160
  228    HB3  LEU  28           HB1      LEU  28   1.203   2.663  -1.358
  229    HG   LEU  28           HG       LEU  28  -0.300   4.183   0.387
  230   HD11  LEU  28          HD11      LEU  28   1.349   3.939   2.149
  231   HD12  LEU  28          HD12      LEU  28   1.320   5.600   1.560
  232   HD13  LEU  28          HD13      LEU  28   2.617   4.512   1.065
  233   HD21  LEU  28          HD21      LEU  28   0.856   6.103  -0.736
  234   HD22  LEU  28          HD22      LEU  28   0.237   4.874  -1.836
  235   HD23  LEU  28          HD23      LEU  28   1.958   4.935  -1.463
  236    H    ILE  29           HN       ILE  29  -1.252   1.406  -2.021
  237    HA   ILE  29           HA       ILE  29  -0.223  -1.293  -2.567
  238    HB   ILE  29           HB       ILE  29  -2.675   0.036  -3.729
  239   HG12  ILE  29          HG12      ILE  29  -2.534  -2.214  -1.720
  240   HG13  ILE  29          HG11      ILE  29  -2.832  -0.532  -1.292
  241   HG21  ILE  29          HG21      ILE  29  -3.195  -2.187  -4.610
  242   HG22  ILE  29          HG22      ILE  29  -1.665  -2.791  -3.976
  243   HG23  ILE  29          HG23      ILE  29  -1.673  -1.573  -5.250
  244   HD11  ILE  29          HD11      ILE  29  -4.554  -2.131  -3.166
  245   HD12  ILE  29          HD12      ILE  29  -4.878  -0.518  -2.529
  246   HD13  ILE  29          HD13      ILE  29  -4.881  -1.911  -1.448
  247    H    LEU  30           HN       LEU  30   1.174  -1.558  -4.125
  248    HA   LEU  30           HA       LEU  30   1.205   0.325  -6.378
  249    HB2  LEU  30           HB2      LEU  30   3.622  -0.684  -4.871
  250    HB3  LEU  30           HB1      LEU  30   3.694   0.185  -6.391
  251    HG   LEU  30           HG       LEU  30   2.523   1.348  -3.863
  252   HD11  LEU  30          HD11      LEU  30   4.622   2.580  -3.641
  253   HD12  LEU  30          HD12      LEU  30   5.292   1.691  -5.010
  254   HD13  LEU  30          HD13      LEU  30   4.881   0.839  -3.521
  255   HD21  LEU  30          HD21      LEU  30   1.722   2.380  -5.919
  256   HD22  LEU  30          HD22      LEU  30   3.381   2.604  -6.470
  257   HD23  LEU  30          HD23      LEU  30   2.800   3.475  -5.052
  258    H    HIS  31           HN       HIS  31   1.090  -0.702  -8.254
  259    HA   HIS  31           HA       HIS  31   1.105  -2.338  -9.835
  260    HB2  HIS  31           HB2      HIS  31   3.118  -3.841  -8.150
  261    HB3  HIS  31           HB1      HIS  31   2.865  -3.963  -9.882
  262    HD1  HIS  31           HD1      HIS  31   3.714  -1.869 -11.323
  263    HD2  HIS  31           HD2      HIS  31   4.972  -2.006  -7.364
  264    HE1  HIS  31           HE1      HIS  31   5.649  -0.267 -11.171
  265    HE2  HIS  31           HE2      HIS  31   6.493  -0.496  -8.806
  266    H    HIS  32           HN       HIS  32  -0.631  -2.396  -7.502
  267    HA   HIS  32           HA       HIS  32  -2.338  -3.652  -6.699
  268    HB2  HIS  32           HB2      HIS  32  -1.350  -5.594  -8.784
  269    HB3  HIS  32           HB1      HIS  32  -2.700  -5.975  -7.719
  270    HD1  HIS  32           HD1      HIS  32  -2.531  -5.315 -10.976
  271    HD2  HIS  32           HD2      HIS  32  -4.304  -3.118  -7.925
  272    HE1  HIS  32           HE1      HIS  32  -4.285  -3.906 -12.090
  273    HE2  HIS  32           HE2      HIS  32  -5.223  -2.463 -10.252
  274    H    LYS  33           HN       LYS  33   0.519  -3.804  -5.733
  275    HA   LYS  33           HA       LYS  33   0.262  -6.254  -4.116
  276    HB2  LYS  33           HB2      LYS  33   2.799  -4.738  -4.767
  277    HB3  LYS  33           HB1      LYS  33   2.682  -6.259  -3.893
  278    HG2  LYS  33           HG2      LYS  33   1.986  -7.418  -5.851
  279    HG3  LYS  33           HG1      LYS  33   1.798  -5.911  -6.746
  280    HD2  LYS  33           HD2      LYS  33   4.251  -5.528  -6.461
  281    HD3  LYS  33           HD1      LYS  33   4.366  -7.145  -5.760
  282    HE2  LYS  33           HE2      LYS  33   3.189  -6.625  -8.483
  283    HE3  LYS  33           HE1      LYS  33   4.905  -6.936  -8.233
  284    HZ1  LYS  33           HZ1      LYS  33   3.503  -8.908  -8.831
  285    HZ2  LYS  33           HZ2      LYS  33   2.789  -8.795  -7.297
  286    HZ3  LYS  33           HZ3      LYS  33   4.452  -9.089  -7.442
  287    H    VAL  34           HN       VAL  34   0.831  -6.082  -1.874
  288    HA   VAL  34           HA       VAL  34   0.202  -3.431  -0.805
  289    HB   VAL  34           HB       VAL  34   0.472  -5.963   0.807
  290   HG11  VAL  34          HG11      VAL  34  -0.925  -4.835   2.405
  291   HG12  VAL  34          HG12      VAL  34  -1.182  -3.487   1.296
  292   HG13  VAL  34          HG13      VAL  34   0.418  -3.771   1.984
  293   HG21  VAL  34          HG21      VAL  34  -1.127  -6.407  -0.979
  294   HG22  VAL  34          HG22      VAL  34  -2.013  -4.937  -0.566
  295   HG23  VAL  34          HG23      VAL  34  -1.943  -6.278   0.579
  296    H    TYR  35           HN       TYR  35   1.751  -2.151  -0.081
  297    HA   TYR  35           HA       TYR  35   4.300  -3.360   0.779
  298    HB2  TYR  35           HB2      TYR  35   3.734  -0.730  -0.592
  299    HB3  TYR  35           HB1      TYR  35   5.277  -1.088   0.177
  300    HD1  TYR  35           HD2      TYR  35   6.704  -2.908  -0.729
  301    HD2  TYR  35           HD1      TYR  35   3.172  -1.636  -2.724
  302    HE1  TYR  35           HE2      TYR  35   7.483  -3.998  -2.790
  303    HE2  TYR  35           HE1      TYR  35   3.939  -2.729  -4.790
  304    HH   TYR  35           HH       TYR  35   6.512  -4.917  -4.868
  305    H    ASP  36           HN       ASP  36   5.048  -2.906   2.763
  306    HA   ASP  36           HA       ASP  36   3.396  -1.176   4.456
  307    HB2  ASP  36           HB2      ASP  36   3.600  -3.293   5.471
  308    HB3  ASP  36           HB1      ASP  36   5.313  -3.411   5.085
  309    H    LEU  37           HN       LEU  37   4.059   0.801   4.737
  310    HA   LEU  37           HA       LEU  37   6.886   1.306   5.247
  311    HB2  LEU  37           HB2      LEU  37   6.954   3.206   3.745
  312    HB3  LEU  37           HB1      LEU  37   6.548   1.755   2.854
  313    HG   LEU  37           HG       LEU  37   4.296   3.463   3.792
  314   HD11  LEU  37          HD11      LEU  37   6.008   4.157   1.405
  315   HD12  LEU  37          HD12      LEU  37   5.937   5.072   2.911
  316   HD13  LEU  37          HD13      LEU  37   4.507   4.947   1.886
  317   HD21  LEU  37          HD21      LEU  37   3.242   2.655   1.824
  318   HD22  LEU  37          HD22      LEU  37   4.062   1.276   2.555
  319   HD23  LEU  37          HD23      LEU  37   4.772   2.082   1.156
  320    H    THR  38           HN       THR  38   4.392   1.158   6.795
  321    HA   THR  38           HA       THR  38   3.444   3.722   7.457
  322    HB   THR  38           HB       THR  38   2.385   1.464   8.008
  323    HG1  THR  38           HG1      THR  38   2.559   3.523   9.972
  324   HG21  THR  38          HG21      THR  38   4.244   1.689  10.372
  325   HG22  THR  38          HG22      THR  38   4.269   0.432   9.140
  326   HG23  THR  38          HG23      THR  38   2.898   0.561  10.238
  327    H    LYS  39           HN       LYS  39   6.389   2.169   8.208
  328    HA   LYS  39           HA       LYS  39   6.947   4.174  10.289
  329    HB2  LYS  39           HB2      LYS  39   7.887   1.353   9.928
  330    HB3  LYS  39           HB1      LYS  39   8.919   2.501  10.767
  331    HG2  LYS  39           HG2      LYS  39   6.076   1.878  11.550
  332    HG3  LYS  39           HG1      LYS  39   7.508   1.154  12.285
  333    HD2  LYS  39           HD2      LYS  39   8.236   3.256  13.131
  334    HD3  LYS  39           HD1      LYS  39   7.032   4.128  12.182
  335    HE2  LYS  39           HE2      LYS  39   5.304   2.768  13.515
  336    HE3  LYS  39           HE1      LYS  39   6.639   2.418  14.616
  337    HZ1  LYS  39           HZ1      LYS  39   6.943   4.756  14.984
  338    HZ2  LYS  39           HZ2      LYS  39   5.330   4.361  15.289
  339    HZ3  LYS  39           HZ3      LYS  39   5.749   5.150  13.852
  340    H    PHE  40           HN       PHE  40   7.122   4.136   7.263
  341    HA   PHE  40           HA       PHE  40   9.886   5.135   7.076
  342    HB2  PHE  40           HB2      PHE  40   9.569   2.965   5.878
  343    HB3  PHE  40           HB1      PHE  40   8.318   3.718   4.905
  344    HD1  PHE  40           HD1      PHE  40  11.936   3.894   5.723
  345    HD2  PHE  40           HD2      PHE  40   8.855   4.861   2.941
  346    HE1  PHE  40           HE1      PHE  40  13.633   4.591   4.081
  347    HE2  PHE  40           HE2      PHE  40  10.550   5.561   1.301
  348    HZ   PHE  40           HZ       PHE  40  12.941   5.425   1.868
  349    H    LEU  41           HN       LEU  41   6.744   5.951   7.177
  350    HA   LEU  41           HA       LEU  41   6.228   7.619   5.012
  351    HB2  LEU  41           HB2      LEU  41   5.347   8.048   7.866
  352    HB3  LEU  41           HB1      LEU  41   4.590   8.724   6.437
  353    HG   LEU  41           HG       LEU  41   4.729   5.766   7.019
  354   HD11  LEU  41          HD11      LEU  41   3.414   6.894   8.728
  355   HD12  LEU  41          HD12      LEU  41   2.381   5.951   7.653
  356   HD13  LEU  41          HD13      LEU  41   2.469   7.704   7.479
  357   HD21  LEU  41          HD21      LEU  41   3.125   7.370   5.031
  358   HD22  LEU  41          HD22      LEU  41   2.974   5.634   5.311
  359   HD23  LEU  41          HD23      LEU  41   4.475   6.295   4.662
  360    H    GLU  42           HN       GLU  42   7.725   8.404   8.131
  361    HA   GLU  42           HA       GLU  42   8.231  11.130   7.380
  362    HB2  GLU  42           HB2      GLU  42   9.547  11.152   9.537
  363    HB3  GLU  42           HB1      GLU  42   7.844  10.745   9.687
  364    HG2  GLU  42           HG2      GLU  42   8.413   8.376   9.829
  365    HG3  GLU  42           HG1      GLU  42  10.122   8.776   9.658
  366    H    GLU  43           HN       GLU  43   9.704   8.253   6.620
  367    HA   GLU  43           HA       GLU  43  12.393   9.397   6.441
  368    HB2  GLU  43           HB2      GLU  43  11.386   6.576   6.026
  369    HB3  GLU  43           HB1      GLU  43  13.058   7.071   5.809
  370    HG2  GLU  43           HG2      GLU  43  11.504   7.220   8.380
  371    HG3  GLU  43           HG1      GLU  43  12.701   5.995   7.961
  372    H    HIS  44           HN       HIS  44   9.663   9.275   4.667
  373    HA   HIS  44           HA       HIS  44  10.858   8.742   2.085
  374    HB2  HIS  44           HB2      HIS  44   8.569   7.978   2.567
  375    HB3  HIS  44           HB1      HIS  44   8.066   9.644   2.827
  376    HD1  HIS  44           HD1      HIS  44   7.092  10.772   0.817
  377    HD2  HIS  44           HD2      HIS  44   9.519   7.548  -0.195
  378    HE1  HIS  44           HE1      HIS  44   6.904  10.501  -1.690
  379    HA   PRO  45           HA       PRO  45  12.032  13.026   1.648
  380    HB2  PRO  45           HB2      PRO  45  12.849  12.836  -0.955
  381    HB3  PRO  45           HB1      PRO  45  13.839  12.334   0.418
  382    HG2  PRO  45           HG2      PRO  45  12.202  10.665  -1.422
  383    HG3  PRO  45           HG1      PRO  45  13.797  10.337  -0.717
  384    HD2  PRO  45           HD2      PRO  45  11.530   9.221   0.239
  385    HD3  PRO  45           HD1      PRO  45  12.925   9.601   1.269
  386    H    GLY  46           HN       GLY  46  10.462  14.468   1.481
  387    HA2  GLY  46           HA2      GLY  46   9.314  15.792  -0.328
  388    HA3  GLY  46           HA1      GLY  46   8.583  14.258  -0.784
  389    H    GLY  47           HN       GLY  47   8.287  13.376   1.998
  390    HA2  GLY  47           HA2      GLY  47   7.111  14.475   3.941
  391    HA3  GLY  47           HA1      GLY  47   6.034  15.144   2.725
  392    H    GLU  48           HN       GLU  48   4.889  13.820   4.702
  393    HA   GLU  48           HA       GLU  48   4.389  11.088   3.767
  394    HB2  GLU  48           HB2      GLU  48   3.312  10.755   5.959
  395    HB3  GLU  48           HB1      GLU  48   4.979  11.294   6.118
  396    HG2  GLU  48           HG2      GLU  48   4.246  13.540   6.611
  397    HG3  GLU  48           HG1      GLU  48   2.566  13.078   6.344
  398    H    GLU  49           HN       GLU  49   3.062  14.203   3.696
  399    HA   GLU  49           HA       GLU  49   0.323  13.783   3.895
  400    HB2  GLU  49           HB2      GLU  49   1.706  15.965   3.576
  401    HB3  GLU  49           HB1      GLU  49   1.455  15.669   1.862
  402    HG2  GLU  49           HG2      GLU  49  -0.246  17.152   2.534
  403    HG3  GLU  49           HG1      GLU  49  -1.012  15.576   2.347
  404    H    VAL  50           HN       VAL  50   2.451  13.402   1.106
  405    HA   VAL  50           HA       VAL  50   0.374  12.778  -0.739
  406    HB   VAL  50           HB       VAL  50   2.231  11.977  -2.206
  407   HG11  VAL  50          HG11      VAL  50   3.274  14.198  -2.470
  408   HG12  VAL  50          HG12      VAL  50   2.572  14.686  -0.925
  409   HG13  VAL  50          HG13      VAL  50   1.521  14.285  -2.285
  410   HG21  VAL  50          HG21      VAL  50   4.542  12.337  -1.495
  411   HG22  VAL  50          HG22      VAL  50   3.740  11.155  -0.460
  412   HG23  VAL  50          HG23      VAL  50   3.982  12.807   0.111
  413    H    LEU  51           HN       LEU  51   2.002  10.950   1.667
  414    HA   LEU  51           HA       LEU  51   1.471   8.402   0.366
  415    HB2  LEU  51           HB2      LEU  51   2.674   9.016   3.063
  416    HB3  LEU  51           HB1      LEU  51   2.554   7.419   2.350
  417    HG   LEU  51           HG       LEU  51   4.168   9.712   1.225
  418   HD11  LEU  51          HD11      LEU  51   5.033   7.229   2.696
  419   HD12  LEU  51          HD12      LEU  51   5.115   8.885   3.302
  420   HD13  LEU  51          HD13      LEU  51   6.110   8.396   1.929
  421   HD21  LEU  51          HD21      LEU  51   3.888   6.838   0.365
  422   HD22  LEU  51          HD22      LEU  51   5.140   7.932  -0.218
  423   HD23  LEU  51          HD23      LEU  51   3.443   8.274  -0.554
  424    H    ARG  52           HN       ARG  52   0.403  10.227   3.209
  425    HA   ARG  52           HA       ARG  52  -1.340   8.241   4.211
  426    HB2  ARG  52           HB2      ARG  52  -2.363  10.062   5.533
  427    HB3  ARG  52           HB1      ARG  52  -0.611  10.051   5.638
  428    HG2  ARG  52           HG2      ARG  52  -0.418  11.934   4.225
  429    HG3  ARG  52           HG1      ARG  52  -2.117  11.841   3.755
  430    HD2  ARG  52           HD2      ARG  52  -1.907  13.619   5.319
  431    HD3  ARG  52           HD1      ARG  52  -2.707  12.284   6.146
  432    HE   ARG  52           HE       ARG  52  -0.208  11.840   6.882
  433   HH11  ARG  52          HH11      ARG  52  -1.950  14.887   6.627
  434   HH12  ARG  52          HH12      ARG  52  -1.025  15.667   7.962
  435   HH21  ARG  52          HH21      ARG  52   1.021  12.794   8.573
  436   HH22  ARG  52          HH22      ARG  52   0.631  14.494   9.059
  437    H    GLU  53           HN       GLU  53  -1.781  10.720   1.763
  438    HA   GLU  53           HA       GLU  53  -4.637  10.414   1.698
  439    HB2  GLU  53           HB2      GLU  53  -4.626  11.951  -0.130
  440    HB3  GLU  53           HB1      GLU  53  -3.465  12.525   1.056
  441    HG2  GLU  53           HG2      GLU  53  -1.630  11.745  -0.274
  442    HG3  GLU  53           HG1      GLU  53  -2.733  10.959  -1.404
  443    H    GLN  54           HN       GLN  54  -2.057   8.621   0.493
  444    HA   GLN  54           HA       GLN  54  -3.789   7.342  -1.521
  445    HB2  GLN  54           HB2      GLN  54  -0.774   7.444  -1.320
  446    HB3  GLN  54           HB1      GLN  54  -1.647   6.439  -2.467
  447    HG2  GLN  54           HG2      GLN  54  -1.808   9.439  -2.323
  448    HG3  GLN  54           HG1      GLN  54  -0.807   8.525  -3.447
  449   HE21  GLN  54          HE21      GLN  54  -4.047   9.451  -2.594
  450   HE22  GLN  54          HE22      GLN  54  -4.793   8.967  -4.077
  451    H    ALA  55           HN       ALA  55  -3.070   7.043   1.536
  452    HA   ALA  55           HA       ALA  55  -2.120   4.369   1.779
  453    HB1  ALA  55           HB1      ALA  55  -3.578   6.074   3.793
  454    HB2  ALA  55           HB2      ALA  55  -1.831   6.032   3.553
  455    HB3  ALA  55           HB3      ALA  55  -2.677   4.596   4.133
  456    H    GLY  56           HN       GLY  56  -3.199   2.522   1.660
  457    HA2  GLY  56           HA2      GLY  56  -5.003   1.060   1.910
  458    HA3  GLY  56           HA1      GLY  56  -6.053   2.439   2.204
  459    H    GLY  57           HN       GLY  57  -4.047   2.821  -0.508
  460    HA2  GLY  57           HA2      GLY  57  -5.956   1.631  -2.366
  461    HA3  GLY  57           HA1      GLY  57  -5.773   3.379  -2.429
  462    H    ASP  58           HN       ASP  58  -5.232   2.084  -4.682
  463    HA   ASP  58           HA       ASP  58  -2.401   1.461  -4.817
  464    HB2  ASP  58           HB2      ASP  58  -3.988   0.108  -6.131
  465    HB3  ASP  58           HB1      ASP  58  -4.483   1.549  -7.012
  466    H    ALA  59           HN       ALA  59  -0.875   2.852  -5.269
  467    HA   ALA  59           HA       ALA  59  -1.629   5.418  -6.512
  468    HB1  ALA  59           HB1      ALA  59   0.276   6.399  -5.254
  469    HB2  ALA  59           HB2      ALA  59   0.475   4.853  -4.429
  470    HB3  ALA  59           HB3      ALA  59  -1.010   5.779  -4.221
  471    H    THR  60           HN       THR  60  -0.728   2.877  -7.782
  472    HA   THR  60           HA       THR  60   1.970   3.028  -8.561
  473    HB   THR  60           HB       THR  60  -0.301   1.955 -10.247
  474    HG1  THR  60           HG1      THR  60  -0.571   0.800  -8.443
  475   HG21  THR  60          HG21      THR  60   2.627   1.216 -10.084
  476   HG22  THR  60          HG22      THR  60   1.841   2.071 -11.411
  477   HG23  THR  60          HG23      THR  60   1.419   0.392 -11.072
  478    H    GLU  61           HN       GLU  61  -0.910   4.605  -9.718
  479    HA   GLU  61           HA       GLU  61  -0.037   5.597 -12.177
  480    HB2  GLU  61           HB2      GLU  61  -1.800   7.364 -11.791
  481    HB3  GLU  61           HB1      GLU  61  -2.357   5.703 -11.642
  482    HG2  GLU  61           HG2      GLU  61  -2.294   5.845  -9.238
  483    HG3  GLU  61           HG1      GLU  61  -1.592   7.458  -9.320
  484    H    ASN  62           HN       ASN  62   0.616   6.703  -8.930
  485    HA   ASN  62           HA       ASN  62   1.753   9.205  -9.906
  486    HB2  ASN  62           HB2      ASN  62   0.396   8.645  -7.616
  487    HB3  ASN  62           HB1      ASN  62   2.059   8.520  -7.051
  488   HD21  ASN  62          HD21      ASN  62  -0.218  10.526  -6.729
  489   HD22  ASN  62          HD22      ASN  62   0.551  12.050  -7.021
  490    H    PHE  63           HN       PHE  63   2.719   6.093  -8.703
  491    HA   PHE  63           HA       PHE  63   5.387   6.612  -8.045
  492    HB2  PHE  63           HB2      PHE  63   3.939   4.467  -7.746
  493    HB3  PHE  63           HB1      PHE  63   4.535   4.040  -9.346
  494    HD1  PHE  63           HD2      PHE  63   5.457   4.607  -5.839
  495    HD2  PHE  63           HD1      PHE  63   6.819   3.385  -9.682
  496    HE1  PHE  63           HE2      PHE  63   7.499   3.688  -4.817
  497    HE2  PHE  63           HE1      PHE  63   8.861   2.460  -8.669
  498    HZ   PHE  63           HZ       PHE  63   9.203   2.611  -6.234
  499    H    GLU  64           HN       GLU  64   3.905   5.671 -11.120
  500    HA   GLU  64           HA       GLU  64   6.407   5.786 -12.544
  501    HB2  GLU  64           HB2      GLU  64   4.911   5.448 -14.552
  502    HB3  GLU  64           HB1      GLU  64   4.836   4.184 -13.333
  503    HG2  GLU  64           HG2      GLU  64   2.758   5.057 -12.489
  504    HG3  GLU  64           HG1      GLU  64   2.856   6.436 -13.582
  505    H    ASP  65           HN       ASP  65   3.783   7.935 -11.829
  506    HA   ASP  65           HA       ASP  65   4.152   9.799 -13.920
  507    HB2  ASP  65           HB2      ASP  65   2.122   9.752 -12.521
  508    HB3  ASP  65           HB1      ASP  65   3.072  10.259 -11.129
  509    H    VAL  66           HN       VAL  66   5.334   9.727 -10.580
  510    HA   VAL  66           HA       VAL  66   6.936  12.067 -10.862
  511    HB   VAL  66           HB       VAL  66   7.033   9.853  -8.809
  512   HG11  VAL  66          HG11      VAL  66   9.181  11.126  -9.054
  513   HG12  VAL  66          HG12      VAL  66   8.425  11.247  -7.467
  514   HG13  VAL  66          HG13      VAL  66   8.292  12.582  -8.608
  515   HG21  VAL  66          HG21      VAL  66   4.934  11.144  -8.874
  516   HG22  VAL  66          HG22      VAL  66   5.861  12.628  -8.647
  517   HG23  VAL  66          HG23      VAL  66   5.835  11.401  -7.379
  518    H    GLY  67           HN       GLY  67   7.651   8.591 -10.888
  519    HA2  GLY  67           HA2      GLY  67   9.312   7.555 -12.191
  520    HA3  GLY  67           HA1      GLY  67  10.027   9.135 -12.490
  521    H    HIS  68           HN       HIS  68   9.979   6.366 -10.474
  522    HA   HIS  68           HA       HIS  68  11.731   7.576  -8.487
  523    HB2  HIS  68           HB2      HIS  68  10.345   4.906  -8.668
  524    HB3  HIS  68           HB1      HIS  68  11.566   5.238  -7.445
  525    HD1  HIS  68           HD1      HIS  68   8.320   6.907  -8.622
  526    HD2  HIS  68           HD2      HIS  68  10.487   6.088  -5.171
  527    HE1  HIS  68           HE1      HIS  68   6.956   7.814  -6.697
  528    H    SER  69           HN       SER  69  13.812   6.873  -8.046
  529    HA   SER  69           HA       SER  69  15.351   6.096 -10.285
  530    HB2  SER  69           HB2      SER  69  16.163   6.113  -7.366
  531    HB3  SER  69           HB1      SER  69  17.245   6.139  -8.762
  532    HG   SER  69           HG       SER  69  15.670   8.171  -7.670
  533    H    THR  70           HN       THR  70  16.807   4.223 -10.361
  534    HA   THR  70           HA       THR  70  15.438   1.807 -10.280
  535    HB   THR  70           HB       THR  70  18.426   1.888 -10.109
  536    HG1  THR  70           HG1      THR  70  16.829   2.700 -12.333
  537   HG21  THR  70          HG21      THR  70  16.432   0.300 -11.724
  538   HG22  THR  70          HG22      THR  70  17.417  -0.286 -10.386
  539   HG23  THR  70          HG23      THR  70  18.182   0.177 -11.905
  540    H    ASP  71           HN       ASP  71  17.904   3.053  -8.018
  541    HA   ASP  71           HA       ASP  71  17.857   0.822  -6.289
  542    HB2  ASP  71           HB2      ASP  71  19.681   2.482  -6.275
  543    HB3  ASP  71           HB1      ASP  71  18.569   3.689  -5.637
  544    H    ALA  72           HN       ALA  72  15.940   3.737  -6.442
  545    HA   ALA  72           HA       ALA  72  14.696   3.595  -3.935
  546    HB1  ALA  72           HB1      ALA  72  13.550   4.739  -6.472
  547    HB2  ALA  72           HB2      ALA  72  14.678   5.574  -5.410
  548    HB3  ALA  72           HB3      ALA  72  13.074   5.138  -4.822
  549    H    ARG  73           HN       ARG  73  13.595   2.392  -7.112
  550    HA   ARG  73           HA       ARG  73  11.226   1.241  -6.053
  551    HB2  ARG  73           HB2      ARG  73  11.120   0.014  -8.244
  552    HB3  ARG  73           HB1      ARG  73  11.211   1.762  -8.366
  553    HG2  ARG  73           HG2      ARG  73  12.837   1.440  -9.840
  554    HG3  ARG  73           HG1      ARG  73  13.852   0.967  -8.475
  555    HD2  ARG  73           HD2      ARG  73  13.931  -0.718 -10.233
  556    HD3  ARG  73           HD1      ARG  73  13.178  -1.363  -8.776
  557    HE   ARG  73           HE       ARG  73  11.411  -0.327 -10.848
  558   HH11  ARG  73          HH11      ARG  73  12.920  -3.137  -9.316
  559   HH12  ARG  73          HH12      ARG  73  11.639  -4.267  -9.922
  560   HH21  ARG  73          HH21      ARG  73   9.794  -1.743 -11.607
  561   HH22  ARG  73          HH22      ARG  73   9.912  -3.493 -11.192
  562    H    GLU  74           HN       GLU  74  14.503   0.110  -6.276
  563    HA   GLU  74           HA       GLU  74  13.864  -2.664  -5.887
  564    HB2  GLU  74           HB2      GLU  74  16.452  -1.122  -5.605
  565    HB3  GLU  74           HB1      GLU  74  16.327  -2.856  -5.354
  566    HG2  GLU  74           HG2      GLU  74  15.796  -1.367  -7.914
  567    HG3  GLU  74           HG1      GLU  74  17.162  -2.424  -7.558
  568    H    LEU  75           HN       LEU  75  14.313   0.105  -3.885
  569    HA   LEU  75           HA       LEU  75  14.900  -1.251  -1.451
  570    HB2  LEU  75           HB2      LEU  75  15.408   1.139  -1.849
  571    HB3  LEU  75           HB1      LEU  75  13.690   1.484  -1.869
  572    HG   LEU  75           HG       LEU  75  13.640   0.545   0.514
  573   HD11  LEU  75          HD11      LEU  75  15.708   0.571   1.743
  574   HD12  LEU  75          HD12      LEU  75  16.599   1.061   0.303
  575   HD13  LEU  75          HD13      LEU  75  15.856  -0.535   0.383
  576   HD21  LEU  75          HD21      LEU  75  14.338   2.687   1.453
  577   HD22  LEU  75          HD22      LEU  75  13.401   2.912  -0.022
  578   HD23  LEU  75          HD23      LEU  75  15.155   3.091  -0.055
  579    H    SER  76           HN       SER  76  11.946  -0.185  -3.040
  580    HA   SER  76           HA       SER  76  10.156  -0.619  -0.933
  581    HB2  SER  76           HB2      SER  76   8.786  -1.225  -3.314
  582    HB3  SER  76           HB1      SER  76   8.840   0.325  -2.479
  583    HG   SER  76           HG       SER  76  10.546  -0.598  -4.554
  584    H    LYS  77           HN       LYS  77  11.829  -2.866  -2.921
  585    HA   LYS  77           HA       LYS  77  10.011  -5.024  -2.816
  586    HB2  LYS  77           HB2      LYS  77  12.142  -4.676  -4.278
  587    HB3  LYS  77           HB1      LYS  77  12.977  -5.430  -2.927
  588    HG2  LYS  77           HG2      LYS  77  10.922  -7.160  -3.297
  589    HG3  LYS  77           HG1      LYS  77  11.208  -6.607  -4.947
  590    HD2  LYS  77           HD2      LYS  77  13.639  -7.136  -4.599
  591    HD3  LYS  77           HD1      LYS  77  13.190  -7.880  -3.065
  592    HE2  LYS  77           HE2      LYS  77  11.657  -9.384  -4.313
  593    HE3  LYS  77           HE1      LYS  77  12.276  -8.699  -5.817
  594    HZ1  LYS  77           HZ1      LYS  77  13.403 -10.750  -5.292
  595    HZ2  LYS  77           HZ2      LYS  77  13.864 -10.165  -3.779
  596    HZ3  LYS  77           HZ3      LYS  77  14.498  -9.465  -5.182
  597    H    THR  78           HN       THR  78  12.105  -3.679  -0.434
  598    HA   THR  78           HA       THR  78  12.130  -6.129   1.139
  599    HB   THR  78           HB       THR  78  14.092  -4.415   0.914
  600    HG1  THR  78           HG1      THR  78  13.530  -5.189   3.572
  601   HG21  THR  78          HG21      THR  78  12.852  -2.428   1.591
  602   HG22  THR  78          HG22      THR  78  14.158  -2.765   2.729
  603   HG23  THR  78          HG23      THR  78  12.493  -3.171   3.152
  604    H    PHE  79           HN       PHE  79   9.920  -3.815   0.574
  605    HA   PHE  79           HA       PHE  79   8.894  -3.831   3.337
  606    HB2  PHE  79           HB2      PHE  79   8.505  -1.828   1.109
  607    HB3  PHE  79           HB1      PHE  79   7.551  -1.821   2.585
  608    HD1  PHE  79           HD2      PHE  79   9.237  -2.106   4.764
  609    HD2  PHE  79           HD1      PHE  79  10.132  -0.233   1.053
  610    HE1  PHE  79           HE2      PHE  79  10.960  -0.748   5.873
  611    HE2  PHE  79           HE1      PHE  79  11.859   1.132   2.155
  612    HZ   PHE  79           HZ       PHE  79  12.272   0.878   4.569
  613    H    ILE  80           HN       ILE  80   8.536  -5.643   0.792
  614    HA   ILE  80           HA       ILE  80   5.681  -5.455   0.362
  615    HB   ILE  80           HB       ILE  80   7.092  -6.093  -1.522
  616   HG12  ILE  80          HG12      ILE  80   5.951  -8.385  -2.016
  617   HG13  ILE  80          HG11      ILE  80   5.113  -8.101  -0.494
  618   HG21  ILE  80          HG21      ILE  80   8.902  -7.207  -0.410
  619   HG22  ILE  80          HG22      ILE  80   8.187  -8.317  -1.579
  620   HG23  ILE  80          HG23      ILE  80   7.832  -8.495   0.139
  621   HD11  ILE  80          HD11      ILE  80   3.770  -7.366  -2.357
  622   HD12  ILE  80          HD12      ILE  80   5.068  -6.311  -2.907
  623   HD13  ILE  80          HD13      ILE  80   4.259  -5.984  -1.377
  624    H    ILE  81           HN       ILE  81   4.165  -6.489   1.516
  625    HA   ILE  81           HA       ILE  81   5.052  -8.753   3.180
  626    HB   ILE  81           HB       ILE  81   3.494  -8.187   4.907
  627   HG12  ILE  81          HG12      ILE  81   1.831  -7.131   3.208
  628   HG13  ILE  81          HG11      ILE  81   1.889  -6.505   4.851
  629   HG21  ILE  81          HG21      ILE  81   5.620  -7.151   5.152
  630   HG22  ILE  81          HG22      ILE  81   4.398  -5.971   5.625
  631   HG23  ILE  81          HG23      ILE  81   5.176  -5.848   4.050
  632   HD11  ILE  81          HD11      ILE  81   3.022  -5.274   2.361
  633   HD12  ILE  81          HD12      ILE  81   3.422  -4.712   3.982
  634   HD13  ILE  81          HD13      ILE  81   1.754  -4.647   3.416
  635    H    GLY  82           HN       GLY  82   2.920  -7.732   0.736
  636    HA2  GLY  82           HA2      GLY  82   1.896 -10.321   0.382
  637    HA3  GLY  82           HA1      GLY  82   0.710  -9.371   1.259
  638    H    GLU  83           HN       GLU  83  -0.521  -9.977  -0.702
  639    HA   GLU  83           HA       GLU  83  -0.255  -7.863  -2.708
  640    HB2  GLU  83           HB2      GLU  83   0.393 -10.545  -3.196
  641    HB3  GLU  83           HB1      GLU  83  -1.207 -10.330  -3.894
  642    HG2  GLU  83           HG2      GLU  83  -0.420  -8.505  -5.250
  643    HG3  GLU  83           HG1      GLU  83   1.165  -8.577  -4.482
  644    H    LEU  84           HN       LEU  84  -2.312  -7.805  -4.096
  645    HA   LEU  84           HA       LEU  84  -4.567  -7.788  -2.289
  646    HB2  LEU  84           HB2      LEU  84  -3.853  -6.538  -4.821
  647    HB3  LEU  84           HB1      LEU  84  -5.506  -7.128  -4.819
  648    HG   LEU  84           HG       LEU  84  -5.360  -4.766  -4.149
  649   HD11  LEU  84          HD11      LEU  84  -6.704  -4.906  -2.133
  650   HD12  LEU  84          HD12      LEU  84  -6.194  -6.576  -1.886
  651   HD13  LEU  84          HD13      LEU  84  -7.183  -6.154  -3.286
  652   HD21  LEU  84          HD21      LEU  84  -3.169  -4.764  -3.134
  653   HD22  LEU  84          HD22      LEU  84  -3.736  -5.828  -1.847
  654   HD23  LEU  84          HD23      LEU  84  -4.368  -4.187  -1.974
  655    H    HIS  85           HN       HIS  85  -6.476  -8.904  -2.558
  656    HA   HIS  85           HA       HIS  85  -6.325 -11.575  -3.351
  657    HB2  HIS  85           HB2      HIS  85  -8.241  -9.853  -2.138
  658    HB3  HIS  85           HB1      HIS  85  -9.047 -10.697  -3.456
  659    HD1  HIS  85           HD1      HIS  85 -10.001 -12.892  -2.840
  660    HD2  HIS  85           HD2      HIS  85  -6.822 -11.813  -0.370
  661    HE1  HIS  85           HE1      HIS  85  -9.852 -14.690  -1.090
  662    HE2  HIS  85           HE2      HIS  85  -7.804 -14.118   0.264
  663    HA   PRO  86           HA       PRO  86  -6.905 -11.543  -7.748
  664    HB2  PRO  86           HB2      PRO  86  -8.470 -13.799  -8.017
  665    HB3  PRO  86           HB1      PRO  86  -6.712 -13.823  -7.837
  666    HG2  PRO  86           HG2      PRO  86  -8.815 -14.265  -5.776
  667    HG3  PRO  86           HG1      PRO  86  -7.274 -15.110  -6.010
  668    HD2  PRO  86           HD2      PRO  86  -7.565 -13.263  -4.102
  669    HD3  PRO  86           HD1      PRO  86  -6.043 -13.431  -5.003
  670    H    ASP  87           HN       ASP  87  -9.662 -11.961  -5.620
  671    HA   ASP  87           HA       ASP  87 -11.701 -11.416  -7.505
  672    HB2  ASP  87           HB2      ASP  87 -11.902 -10.786  -4.562
  673    HB3  ASP  87           HB1      ASP  87 -13.183 -11.288  -5.659
  674    H    ASP  88           HN       ASP  88  -9.583  -9.426  -5.619
  675    HA   ASP  88           HA       ASP  88 -11.047  -6.996  -6.358
  676    HB2  ASP  88           HB2      ASP  88  -8.737  -7.384  -4.434
  677    HB3  ASP  88           HB1      ASP  88  -9.562  -5.861  -4.735
  678    H    ARG  89           HN       ARG  89  -9.171  -8.803  -8.003
  679    HA   ARG  89           HA       ARG  89  -7.437  -6.623  -8.956
  680    HB2  ARG  89           HB2      ARG  89  -6.320  -8.615  -7.749
  681    HB3  ARG  89           HB1      ARG  89  -6.702  -9.527  -9.202
  682    HG2  ARG  89           HG2      ARG  89  -5.462  -7.760 -10.500
  683    HG3  ARG  89           HG1      ARG  89  -4.908  -7.131  -8.947
  684    HD2  ARG  89           HD2      ARG  89  -4.434  -9.893 -10.049
  685    HD3  ARG  89           HD1      ARG  89  -3.244  -8.604  -9.887
  686    HE   ARG  89           HE       ARG  89  -4.520  -9.395  -7.418
  687   HH11  ARG  89          HH11      ARG  89  -1.842  -9.877  -9.643
  688   HH12  ARG  89          HH12      ARG  89  -0.785 -10.627  -8.388
  689   HH21  ARG  89          HH21      ARG  89  -3.212 -10.330  -5.785
  690   HH22  ARG  89          HH22      ARG  89  -1.536 -10.876  -6.227
  691    H    SER  90           HN       SER  90  -8.519  -9.848 -10.056
  692    HA   SER  90           HA       SER  90  -9.113  -8.632 -12.671
  693    HB2  SER  90           HB2      SER  90  -8.943 -11.518 -12.740
  694    HB3  SER  90           HB1      SER  90  -7.993 -10.326 -13.628
  695    HG   SER  90           HG       SER  90  -6.424 -10.520 -12.223
  696    H    LYS  91           HN       LYS  91 -11.043  -8.338 -10.781
  697    HA   LYS  91           HA       LYS  91 -13.207  -9.853 -11.924
  698    HB2  LYS  91           HB2      LYS  91 -12.230 -11.253  -9.997
  699    HB3  LYS  91           HB1      LYS  91 -12.904 -10.028  -8.933
  700    HG2  LYS  91           HG2      LYS  91 -15.137 -10.477  -9.877
  701    HG3  LYS  91           HG1      LYS  91 -14.430 -11.762 -10.859
  702    HD2  LYS  91           HD2      LYS  91 -14.347 -11.657  -7.844
  703    HD3  LYS  91           HD1      LYS  91 -15.507 -12.592  -8.785
  704    HE2  LYS  91           HE2      LYS  91 -12.970 -13.258  -9.784
  705    HE3  LYS  91           HE1      LYS  91 -12.820 -13.259  -8.029
  706    HZ1  LYS  91           HZ1      LYS  91 -14.872 -14.740  -9.575
  707    HZ2  LYS  91           HZ2      LYS  91 -14.685 -14.768  -7.899
  708    HZ3  LYS  91           HZ3      LYS  91 -13.483 -15.420  -8.897
  709    H    LEU  92           HN       LEU  92 -12.786  -8.158  -8.825
  710    HA   LEU  92           HA       LEU  92 -13.729  -6.298  -7.947
  711    HB2  LEU  92           HB2      LEU  92 -13.552  -5.623 -10.833
  712    HB3  LEU  92           HB1      LEU  92 -14.583  -4.612  -9.844
  713    HG   LEU  92           HG       LEU  92 -12.432  -3.570 -10.008
  714   HD11  LEU  92          HD11      LEU  92 -11.893  -3.257  -7.724
  715   HD12  LEU  92          HD12      LEU  92 -12.540  -4.835  -7.284
  716   HD13  LEU  92          HD13      LEU  92 -13.632  -3.552  -7.805
  717   HD21  LEU  92          HD21      LEU  92 -11.290  -6.166  -8.980
  718   HD22  LEU  92          HD22      LEU  92 -10.385  -4.671  -9.224
  719   HD23  LEU  92          HD23      LEU  92 -11.096  -5.505 -10.607
  720    H    SER  93           HN       SER  93 -15.355  -8.633  -8.600
  721    HA   SER  93           HA       SER  93 -17.981  -7.420  -9.050
  722    HB2  SER  93           HB2      SER  93 -17.240 -10.355  -8.947
  723    HB3  SER  93           HB1      SER  93 -18.782  -9.679  -9.472
  724    HG   SER  93           HG       SER  93 -17.498  -8.551 -11.125
  725    H    LYS  94           HN       LYS  94 -17.162  -6.590  -6.750
  726    HA   LYS  94           HA       LYS  94 -18.533  -8.267  -4.757
  727    HB2  LYS  94           HB2      LYS  94 -15.967  -6.706  -4.458
  728    HB3  LYS  94           HB1      LYS  94 -16.925  -7.220  -3.078
  729    HG2  LYS  94           HG2      LYS  94 -16.508  -9.491  -3.487
  730    HG3  LYS  94           HG1      LYS  94 -15.949  -9.175  -5.132
  731    HD2  LYS  94           HD2      LYS  94 -14.067  -9.674  -3.664
  732    HD3  LYS  94           HD1      LYS  94 -13.989  -8.005  -4.229
  733    HE2  LYS  94           HE2      LYS  94 -15.049  -7.304  -2.083
  734    HE3  LYS  94           HE1      LYS  94 -14.914  -8.971  -1.526
  735    HZ1  LYS  94           HZ1      LYS  94 -13.075  -7.515  -0.773
  736    HZ2  LYS  94           HZ2      LYS  94 -12.608  -7.307  -2.396
  737    HZ3  LYS  94           HZ3      LYS  94 -12.546  -8.840  -1.685
  738    HA   PRO  95           HA       PRO  95 -21.112  -4.608  -4.546
  739    HB2  PRO  95           HB2      PRO  95 -21.990  -5.917  -2.024
  740    HB3  PRO  95           HB1      PRO  95 -22.954  -5.354  -3.398
  741    HG2  PRO  95           HG2      PRO  95 -22.561  -7.944  -3.037
  742    HG3  PRO  95           HG1      PRO  95 -22.516  -7.239  -4.666
  743    HD2  PRO  95           HD2      PRO  95 -20.242  -8.061  -2.904
  744    HD3  PRO  95           HD1      PRO  95 -20.456  -8.291  -4.653
  745    H    MET  96           HN       MET  96 -20.618  -2.688  -3.750
  746    HA   MET  96           HA       MET  96 -18.695  -2.407  -1.631
  747    HB2  MET  96           HB2      MET  96 -18.684  -0.938  -3.615
  748    HB3  MET  96           HB1      MET  96 -20.248  -0.293  -3.137
  749    HG2  MET  96           HG2      MET  96 -19.279   0.636  -1.122
  750    HG3  MET  96           HG1      MET  96 -17.718  -0.077  -1.524
  751    HE1  MET  96           HE1      MET  96 -19.706   3.249  -4.040
  752    HE2  MET  96           HE2      MET  96 -20.473   2.482  -2.649
  753    HE3  MET  96           HE3      MET  96 -20.204   1.561  -4.128
  754    H    GLU  97           HN       GLU  97 -21.951  -1.030  -2.097
  755    HA   GLU  97           HA       GLU  97 -23.603  -0.461  -0.657
  756    HB2  GLU  97           HB2      GLU  97 -23.713  -2.818  -0.158
  757    HB3  GLU  97           HB1      GLU  97 -22.360  -2.693   0.955
  758    HG2  GLU  97           HG2      GLU  97 -23.782  -1.171   2.356
  759    HG3  GLU  97           HG1      GLU  97 -25.137  -1.601   1.310
  760    H    THR  98           HN       THR  98 -22.972   1.638  -0.196
  761    HA   THR  98           HA       THR  98 -22.350   2.157   2.531
  762    HB   THR  98           HB       THR  98 -20.064   1.654   1.626
  763    HG1  THR  98           HG1      THR  98 -19.673   2.918   3.266
  764   HG21  THR  98          HG21      THR  98 -20.650   4.096  -0.041
  765   HG22  THR  98          HG22      THR  98 -20.149   2.498  -0.588
  766   HG23  THR  98          HG23      THR  98 -19.014   3.521   0.289
  767    H    LEU  99           HN       LEU  99 -21.746   4.683   2.670
  768    HA   LEU  99           HA       LEU  99 -22.541   6.796   2.528
  769    HB2  LEU  99           HB2      LEU  99 -22.938   6.002  -0.354
  770    HB3  LEU  99           HB1      LEU  99 -23.152   7.634   0.247
  771    HG   LEU  99           HG       LEU  99 -20.568   6.074   0.323
  772   HD11  LEU  99          HD11      LEU  99 -21.219   6.717  -1.940
  773   HD12  LEU  99          HD12      LEU  99 -19.813   7.627  -1.386
  774   HD13  LEU  99          HD13      LEU  99 -21.404   8.389  -1.412
  775   HD21  LEU  99          HD21      LEU  99 -20.585   7.566   2.165
  776   HD22  LEU  99          HD22      LEU  99 -21.281   8.864   1.194
  777   HD23  LEU  99          HD23      LEU  99 -19.623   8.334   0.902
  778    H    ILE 100           HN       ILE 100 -24.315   4.838   3.458
  779    HA   ILE 100           HA       ILE 100 -26.909   5.747   2.417
  780    HB   ILE 100           HB       ILE 100 -27.801   3.788   3.809
  781   HG12  ILE 100          HG12      ILE 100 -24.901   2.942   3.636
  782   HG13  ILE 100          HG11      ILE 100 -25.707   3.457   5.115
  783   HG21  ILE 100          HG21      ILE 100 -26.056   3.240   1.413
  784   HG22  ILE 100          HG22      ILE 100 -27.733   3.782   1.381
  785   HG23  ILE 100          HG23      ILE 100 -27.337   2.186   2.017
  786   HD11  ILE 100          HD11      ILE 100 -25.463   0.968   4.739
  787   HD12  ILE 100          HD12      ILE 100 -26.687   1.141   3.481
  788   HD13  ILE 100          HD13      ILE 100 -27.075   1.554   5.151
  789    H    THR 101           HN       THR 101 -24.860   6.725   4.640
  790    HA   THR 101           HA       THR 101 -26.936   7.291   6.648
  791    HB   THR 101           HB       THR 101 -24.087   7.555   7.423
  792    HG1  THR 101           HG1      THR 101 -25.224   4.965   7.484
  793   HG21  THR 101          HG21      THR 101 -24.954   6.599   9.517
  794   HG22  THR 101          HG22      THR 101 -26.531   6.372   8.757
  795   HG23  THR 101          HG23      THR 101 -25.897   8.001   9.004
  796    H    THR 102           HN       THR 102 -27.425   9.387   6.958
  797    HA   THR 102           HA       THR 102 -25.911  11.379   5.480
  798    HB   THR 102           HB       THR 102 -27.851  12.867   6.476
  799    HG1  THR 102           HG1      THR 102 -29.496  11.770   7.289
  800   HG21  THR 102          HG21      THR 102 -27.598  12.420   4.113
  801   HG22  THR 102          HG22      THR 102 -29.285  12.175   4.568
  802   HG23  THR 102          HG23      THR 102 -28.228  10.785   4.318
  803    H    VAL 103           HN       VAL 103 -24.038  11.622   6.666
  804    HA   VAL 103           HA       VAL 103 -24.307  12.556   9.436
  805    HB   VAL 103           HB       VAL 103 -21.832  12.270   9.562
  806   HG11  VAL 103          HG11      VAL 103 -23.390   9.832   8.710
  807   HG12  VAL 103          HG12      VAL 103 -23.308  10.504  10.338
  808   HG13  VAL 103          HG13      VAL 103 -21.865   9.813   9.596
  809   HG21  VAL 103          HG21      VAL 103 -20.703  10.999   7.785
  810   HG22  VAL 103          HG22      VAL 103 -21.296  12.559   7.211
  811   HG23  VAL 103          HG23      VAL 103 -22.174  11.082   6.812
  812    H    ASP 104           HN       ASP 104 -24.813  14.081   6.881
  813    HA   ASP 104           HA       ASP 104 -22.745  16.069   6.752
  814    HB2  ASP 104           HB2      ASP 104 -24.301  17.217   5.186
  815    HB3  ASP 104           HB1      ASP 104 -23.971  15.548   4.735
  816    HHB  HEM 400           HB       HEM 400  11.215   4.958  -1.704
  817    HHC  HEM 400           HC       HEM 400   4.999   5.341  -2.786
  818    HHD  HEM 400           HD       HEM 400   5.728  11.260  -4.899
  819    HMA  HEM 400          HMA1      HEM 400  13.141   5.702  -1.093
  820   HMAA  HEM 400          HMA2      HEM 400  14.355   6.889  -1.499
  821   HMAB  HEM 400          HMA3      HEM 400  14.015   5.630  -2.659
  822    HAA  HEM 400          HAA1      HEM 400  14.449   9.315  -2.320
  823   HAAA  HEM 400          HAA2      HEM 400  13.844   9.979  -3.829
  824    HBA  HEM 400          HBA1      HEM 400  14.630   7.201  -4.155
  825   HBAA  HEM 400          HBA2      HEM 400  15.957   8.175  -3.528
  826    HMB  HEM 400          HMB1      HEM 400   9.670   2.338  -1.879
  827   HMBA  HEM 400          HMB2      HEM 400   8.734   2.547  -0.395
  828   HMBB  HEM 400          HMB3      HEM 400  10.262   3.402  -0.617
  829    HAB  HEM 400           HAB      HEM 400   6.530   2.234  -1.845
  830    HBB  HEM 400          HBB1      HEM 400   4.742   4.608  -0.878
  831   HBBA  HEM 400          HBB2      HEM 400   4.331   2.731  -0.927
  832    HMC  HEM 400          HMC1      HEM 400   2.255   7.394  -4.303
  833   HMCA  HEM 400          HMC2      HEM 400   2.674   6.936  -2.649
  834   HMCB  HEM 400          HMC3      HEM 400   3.173   5.928  -4.012
  835    HAC  HEM 400           HAC      HEM 400   3.496  10.541  -5.405
  836    HBC  HEM 400          HBC1      HEM 400   1.895   9.285  -3.028
  837   HBCA  HEM 400          HBC2      HEM 400   1.342  10.647  -4.262
  838    HMD  HEM 400          HMD1      HEM 400   6.852  13.531  -4.691
  839   HMDA  HEM 400          HMD2      HEM 400   7.044  12.968  -6.355
  840   HMDB  HEM 400          HMD3      HEM 400   8.251  14.030  -5.624
  841    HAD  HEM 400          HAD1      HEM 400  10.397  13.878  -4.614
  842   HADA  HEM 400          HAD2      HEM 400  11.635  12.641  -4.747
  843    HBD  HEM 400          HBD1      HEM 400   9.997  12.747  -7.147
  844   HBDA  HEM 400          HBD2      HEM 400  11.748  12.879  -6.978
  845    HHA  HEM 400           HA       HEM 400  12.006  10.744  -4.141
  Start of MODEL    2
    1    H1   MET   1           HT1      MET   1  20.459 -14.991  17.101
    2    H2   MET   1           HT2      MET   1  21.709 -14.384  18.062
    3    H3   MET   1           HT3      MET   1  21.391 -13.695  16.551
    4    HA   MET   1           HA       MET   1  19.624 -13.638  18.927
    5    HB2  MET   1           HB2      MET   1  21.773 -11.982  18.221
    6    HB3  MET   1           HB1      MET   1  20.338 -11.080  17.752
    7    HG2  MET   1           HG2      MET   1  19.465 -11.185  19.974
    8    HG3  MET   1           HG1      MET   1  20.750 -12.279  20.477
    9    HE1  MET   1           HE1      MET   1  23.044 -11.617  21.218
   10    HE2  MET   1           HE2      MET   1  23.837 -10.085  20.845
   11    HE3  MET   1           HE3      MET   1  23.438 -11.209  19.548
   12    H    ALA   2           HN       ALA   2  18.360 -11.219  18.050
   13    HA   ALA   2           HA       ALA   2  16.409 -12.372  16.300
   14    HB1  ALA   2           HB1      ALA   2  15.881 -10.825  18.184
   15    HB2  ALA   2           HB2      ALA   2  15.150 -10.377  16.640
   16    HB3  ALA   2           HB3      ALA   2  16.573  -9.515  17.227
   17    H    ALA   3           HN       ALA   3  17.554 -12.753  14.375
   18    HA   ALA   3           HA       ALA   3  17.735 -10.389  12.671
   19    HB1  ALA   3           HB1      ALA   3  20.005 -10.728  13.487
   20    HB2  ALA   3           HB2      ALA   3  19.898 -11.077  11.762
   21    HB3  ALA   3           HB3      ALA   3  19.966 -12.398  12.926
   22    H    GLN   4           HN       GLN   4  15.939 -11.050  11.589
   23    HA   GLN   4           HA       GLN   4  16.116 -13.612  10.145
   24    HB2  GLN   4           HB2      GLN   4  13.590 -13.327   9.909
   25    HB3  GLN   4           HB1      GLN   4  14.195 -13.717  11.512
   26    HG2  GLN   4           HG2      GLN   4  13.966 -10.850  10.964
   27    HG3  GLN   4           HG1      GLN   4  12.438 -11.727  10.949
   28   HE21  GLN   4          HE21      GLN   4  11.786 -10.613  12.817
   29   HE22  GLN   4          HE22      GLN   4  12.402 -11.026  14.378
   30    H    SER   5           HN       SER   5  15.433 -13.666   7.945
   31    HA   SER   5           HA       SER   5  15.210 -11.055   6.611
   32    HB2  SER   5           HB2      SER   5  16.955 -13.283   5.544
   33    HB3  SER   5           HB1      SER   5  16.863 -11.617   4.974
   34    HG   SER   5           HG       SER   5  17.510 -11.301   7.412
   35    H    ASP   6           HN       ASP   6  13.181 -12.949   7.255
   36    HA   ASP   6           HA       ASP   6  12.587 -14.508   4.903
   37    HB2  ASP   6           HB2      ASP   6  10.650 -13.896   7.127
   38    HB3  ASP   6           HB1      ASP   6  10.695 -15.305   6.072
   39    H    LYS   7           HN       LYS   7  10.578 -14.315   3.732
   40    HA   LYS   7           HA       LYS   7   9.254 -11.745   3.712
   41    HB2  LYS   7           HB2      LYS   7  11.189 -12.577   1.624
   42    HB3  LYS   7           HB1      LYS   7   9.682 -11.871   1.058
   43    HG2  LYS   7           HG2      LYS   7  11.509 -10.566   3.060
   44    HG3  LYS   7           HG1      LYS   7  11.540 -10.247   1.323
   45    HD2  LYS   7           HD2      LYS   7   9.577  -9.083   1.366
   46    HD3  LYS   7           HD1      LYS   7   8.920 -10.025   2.704
   47    HE2  LYS   7           HE2      LYS   7  11.175  -8.061   3.032
   48    HE3  LYS   7           HE1      LYS   7   9.481  -7.609   3.208
   49    HZ1  LYS   7           HZ1      LYS   7  10.740  -9.790   4.779
   50    HZ2  LYS   7           HZ2      LYS   7   9.246  -9.042   5.053
   51    HZ3  LYS   7           HZ3      LYS   7  10.681  -8.183   5.312
   52    H    ASP   8           HN       ASP   8   7.346 -12.696   4.112
   53    HA   ASP   8           HA       ASP   8   6.433 -14.910   2.439
   54    HB2  ASP   8           HB2      ASP   8   6.100 -14.444   5.089
   55    HB3  ASP   8           HB1      ASP   8   4.621 -13.722   4.467
   56    H    VAL   9           HN       VAL   9   4.112 -14.732   1.658
   57    HA   VAL   9           HA       VAL   9   3.471 -11.982   0.872
   58    HB   VAL   9           HB       VAL   9   4.560 -12.845  -1.067
   59   HG11  VAL   9          HG11      VAL   9   2.740 -15.240  -0.893
   60   HG12  VAL   9          HG12      VAL   9   4.481 -15.218  -0.625
   61   HG13  VAL   9          HG13      VAL   9   3.834 -14.888  -2.231
   62   HG21  VAL   9          HG21      VAL   9   2.566 -11.521  -1.499
   63   HG22  VAL   9          HG22      VAL   9   1.576 -12.981  -1.477
   64   HG23  VAL   9          HG23      VAL   9   2.782 -12.753  -2.744
   65    H    LYS  10           HN       LYS  10   1.769 -11.772   2.196
   66    HA   LYS  10           HA       LYS  10  -0.332 -13.804   2.161
   67    HB2  LYS  10           HB2      LYS  10  -0.043 -11.328   3.876
   68    HB3  LYS  10           HB1      LYS  10  -1.262 -12.579   4.071
   69    HG2  LYS  10           HG2      LYS  10   0.408 -14.192   4.690
   70    HG3  LYS  10           HG1      LYS  10   1.702 -13.050   4.323
   71    HD2  LYS  10           HD2      LYS  10   1.382 -13.120   6.711
   72    HD3  LYS  10           HD1      LYS  10   0.824 -11.563   6.100
   73    HE2  LYS  10           HE2      LYS  10  -1.469 -12.253   6.236
   74    HE3  LYS  10           HE1      LYS  10  -0.996 -13.902   6.633
   75    HZ1  LYS  10           HZ1      LYS  10  -0.194 -13.202   8.737
   76    HZ2  LYS  10           HZ2      LYS  10  -1.731 -12.520   8.553
   77    HZ3  LYS  10           HZ3      LYS  10  -0.355 -11.568   8.342
   78    H    TYR  11           HN       TYR  11  -2.214 -13.510   1.112
   79    HA   TYR  11           HA       TYR  11  -2.505 -11.075  -0.444
   80    HB2  TYR  11           HB2      TYR  11  -3.728 -13.804  -0.536
   81    HB3  TYR  11           HB1      TYR  11  -4.590 -12.462  -1.282
   82    HD1  TYR  11           HD2      TYR  11  -1.570 -14.548  -1.418
   83    HD2  TYR  11           HD1      TYR  11  -3.749 -11.398  -3.269
   84    HE1  TYR  11           HE2      TYR  11  -0.152 -14.749  -3.417
   85    HE2  TYR  11           HE1      TYR  11  -2.343 -11.592  -5.273
   86    HH   TYR  11           HH       TYR  11   0.044 -12.434  -5.768
   87    H    TYR  12           HN       TYR  12  -3.521  -9.418   0.381
   88    HA   TYR  12           HA       TYR  12  -5.575  -9.859   2.425
   89    HB2  TYR  12           HB2      TYR  12  -4.315  -7.225   1.643
   90    HB3  TYR  12           HB1      TYR  12  -5.245  -7.578   3.092
   91    HD1  TYR  12           HD2      TYR  12  -4.241  -9.125   4.829
   92    HD2  TYR  12           HD1      TYR  12  -1.987  -7.541   1.585
   93    HE1  TYR  12           HE2      TYR  12  -2.158  -9.638   6.031
   94    HE2  TYR  12           HE1      TYR  12   0.100  -8.051   2.779
   95    HH   TYR  12           HH       TYR  12   1.010  -9.117   4.531
   96    H    THR  13           HN       THR  13  -7.627  -8.989   2.227
   97    HA   THR  13           HA       THR  13  -8.519  -8.609  -0.495
   98    HB   THR  13           HB       THR  13 -10.368  -8.180   1.809
   99    HG1  THR  13           HG1      THR  13  -9.170  -9.960   2.544
  100   HG21  THR  13          HG21      THR  13 -11.855  -9.547   0.395
  101   HG22  THR  13          HG22      THR  13 -10.549  -9.742  -0.772
  102   HG23  THR  13          HG23      THR  13 -11.231  -8.143  -0.472
  103    H    LEU  14           HN       LEU  14  -9.808  -6.734  -1.155
  104    HA   LEU  14           HA       LEU  14  -8.479  -4.330  -0.809
  105    HB2  LEU  14           HB2      LEU  14 -10.009  -4.926  -2.677
  106    HB3  LEU  14           HB1      LEU  14 -11.367  -4.668  -1.601
  107    HG   LEU  14           HG       LEU  14 -10.753  -2.301  -1.378
  108   HD11  LEU  14          HD11      LEU  14  -9.046  -1.346  -2.871
  109   HD12  LEU  14          HD12      LEU  14  -8.579  -2.979  -3.357
  110   HD13  LEU  14          HD13      LEU  14  -8.356  -2.457  -1.684
  111   HD21  LEU  14          HD21      LEU  14 -11.390  -1.614  -3.617
  112   HD22  LEU  14          HD22      LEU  14 -12.319  -3.026  -3.125
  113   HD23  LEU  14          HD23      LEU  14 -10.972  -3.205  -4.246
  114    H    GLU  15           HN       GLU  15 -11.406  -5.460   0.844
  115    HA   GLU  15           HA       GLU  15 -11.816  -3.033   2.275
  116    HB2  GLU  15           HB2      GLU  15 -13.284  -4.558   3.749
  117    HB3  GLU  15           HB1      GLU  15 -13.746  -4.316   2.070
  118    HG2  GLU  15           HG2      GLU  15 -12.009  -6.635   2.673
  119    HG3  GLU  15           HG1      GLU  15 -13.681  -6.712   3.224
  120    H    GLU  16           HN       GLU  16  -9.590  -5.563   2.730
  121    HA   GLU  16           HA       GLU  16  -9.390  -5.220   5.601
  122    HB2  GLU  16           HB2      GLU  16  -7.695  -6.830   3.688
  123    HB3  GLU  16           HB1      GLU  16  -7.536  -6.849   5.439
  124    HG2  GLU  16           HG2      GLU  16  -9.888  -7.649   5.569
  125    HG3  GLU  16           HG1      GLU  16  -9.877  -7.792   3.812
  126    H    ILE  17           HN       ILE  17  -7.516  -4.357   2.721
  127    HA   ILE  17           HA       ILE  17  -5.344  -3.267   4.201
  128    HB   ILE  17           HB       ILE  17  -4.660  -2.215   2.051
  129   HG12  ILE  17          HG12      ILE  17  -6.143  -3.468   0.127
  130   HG13  ILE  17          HG11      ILE  17  -7.383  -3.046   1.304
  131   HG21  ILE  17          HG21      ILE  17  -4.162  -4.329   0.922
  132   HG22  ILE  17          HG22      ILE  17  -5.344  -5.147   1.944
  133   HG23  ILE  17          HG23      ILE  17  -3.899  -4.435   2.663
  134   HD11  ILE  17          HD11      ILE  17  -7.060  -1.351  -0.460
  135   HD12  ILE  17          HD12      ILE  17  -5.417  -1.098   0.133
  136   HD13  ILE  17          HD13      ILE  17  -6.796  -0.729   1.168
  137    H    LYS  18           HN       LYS  18  -8.313  -1.883   2.876
  138    HA   LYS  18           HA       LYS  18  -7.507   0.811   3.525
  139    HB2  LYS  18           HB2      LYS  18  -9.724   1.474   2.762
  140    HB3  LYS  18           HB1      LYS  18  -8.959   0.402   1.600
  141    HG2  LYS  18           HG2      LYS  18 -10.393  -1.353   2.071
  142    HG3  LYS  18           HG1      LYS  18 -10.833  -0.697   3.649
  143    HD2  LYS  18           HD2      LYS  18 -12.662  -0.471   2.033
  144    HD3  LYS  18           HD1      LYS  18 -12.076   1.101   2.572
  145    HE2  LYS  18           HE2      LYS  18 -10.612   0.264   0.252
  146    HE3  LYS  18           HE1      LYS  18 -12.342   0.167  -0.070
  147    HZ1  LYS  18           HZ1      LYS  18 -10.966   2.566   1.016
  148    HZ2  LYS  18           HZ2      LYS  18 -12.588   2.455   0.563
  149    HZ3  LYS  18           HZ3      LYS  18 -11.377   2.346  -0.609
  150    H    LYS  19           HN       LYS  19  -8.078  -1.537   5.511
  151    HA   LYS  19           HA       LYS  19  -9.678   0.073   7.389
  152    HB2  LYS  19           HB2      LYS  19  -9.964  -2.630   6.583
  153    HB3  LYS  19           HB1      LYS  19  -9.390  -2.651   8.243
  154    HG2  LYS  19           HG2      LYS  19 -11.717  -2.675   8.414
  155    HG3  LYS  19           HG1      LYS  19 -11.259  -1.004   8.746
  156    HD2  LYS  19           HD2      LYS  19 -11.760  -0.438   6.389
  157    HD3  LYS  19           HD1      LYS  19 -12.311  -2.095   6.137
  158    HE2  LYS  19           HE2      LYS  19 -14.041  -1.786   7.831
  159    HE3  LYS  19           HE1      LYS  19 -13.474  -0.145   8.118
  160    HZ1  LYS  19           HZ1      LYS  19 -14.742  -1.204   5.660
  161    HZ2  LYS  19           HZ2      LYS  19 -13.986   0.305   5.733
  162    HZ3  LYS  19           HZ3      LYS  19 -15.337  -0.010   6.697
  163    H    HIS  20           HN       HIS  20  -6.615  -0.726   6.616
  164    HA   HIS  20           HA       HIS  20  -5.704  -0.951   9.405
  165    HB2  HIS  20           HB2      HIS  20  -4.549  -1.839   6.793
  166    HB3  HIS  20           HB1      HIS  20  -3.459  -1.472   8.125
  167    HD1  HIS  20           HD1      HIS  20  -6.160  -3.894   7.103
  168    HD2  HIS  20           HD2      HIS  20  -3.380  -3.348  10.152
  169    HE1  HIS  20           HE1      HIS  20  -6.159  -6.037   8.418
  170    HE2  HIS  20           HE2      HIS  20  -4.527  -5.661  10.295
  171    H    ASN  21           HN       ASN  21  -6.009   1.226   6.877
  172    HA   ASN  21           HA       ASN  21  -3.631   2.756   7.275
  173    HB2  ASN  21           HB2      ASN  21  -4.799   4.478   5.889
  174    HB3  ASN  21           HB1      ASN  21  -4.726   2.890   5.136
  175   HD21  ASN  21          HD21      ASN  21  -6.511   4.877   4.351
  176   HD22  ASN  21          HD22      ASN  21  -8.118   4.347   4.715
  177    H    HIS  22           HN       HIS  22  -3.804   2.810   9.649
  178    HA   HIS  22           HA       HIS  22  -5.556   5.004  10.534
  179    HB2  HIS  22           HB2      HIS  22  -4.521   2.608  12.048
  180    HB3  HIS  22           HB1      HIS  22  -5.227   4.005  12.852
  181    HD1  HIS  22           HD1      HIS  22  -7.534   4.398  10.672
  182    HD2  HIS  22           HD2      HIS  22  -6.589   0.877  12.672
  183    HE1  HIS  22           HE1      HIS  22  -9.614   2.997  10.595
  184    HE2  HIS  22           HE2      HIS  22  -9.073   0.947  11.949
  185    H    SER  23           HN       SER  23  -2.574   3.538  11.898
  186    HA   SER  23           HA       SER  23  -1.177   6.058  11.502
  187    HB2  SER  23           HB2      SER  23  -1.305   4.986  14.308
  188    HB3  SER  23           HB1      SER  23  -0.779   6.576  13.758
  189    HG   SER  23           HG       SER  23  -3.142   6.624  12.968
  190    H    LYS  24           HN       LYS  24  -1.016   2.868  13.092
  191    HA   LYS  24           HA       LYS  24   1.842   2.789  12.390
  192    HB2  LYS  24           HB2      LYS  24   2.076   1.096  14.186
  193    HB3  LYS  24           HB1      LYS  24   1.531   2.657  14.778
  194    HG2  LYS  24           HG2      LYS  24  -0.512   0.591  14.134
  195    HG3  LYS  24           HG1      LYS  24   0.443   0.413  15.606
  196    HD2  LYS  24           HD2      LYS  24  -0.608   3.113  15.208
  197    HD3  LYS  24           HD1      LYS  24  -1.863   1.886  15.367
  198    HE2  LYS  24           HE2      LYS  24   0.426   2.236  17.297
  199    HE3  LYS  24           HE1      LYS  24  -1.176   2.939  17.519
  200    HZ1  LYS  24           HZ1      LYS  24  -2.069   0.638  17.399
  201    HZ2  LYS  24           HZ2      LYS  24  -1.088   0.929  18.742
  202    HZ3  LYS  24           HZ3      LYS  24  -0.478   0.060  17.425
  203    H    SER  25           HN       SER  25  -0.525   2.059  10.734
  204    HA   SER  25           HA       SER  25   0.510  -0.486   9.793
  205    HB2  SER  25           HB2      SER  25  -2.468  -0.252  10.211
  206    HB3  SER  25           HB1      SER  25  -1.509  -1.702   9.914
  207    HG   SER  25           HG       SER  25  -0.486  -1.091  12.037
  208    H    THR  26           HN       THR  26   0.470   2.272   8.918
  209    HA   THR  26           HA       THR  26  -1.468   2.709   6.909
  210    HB   THR  26           HB       THR  26   1.295   3.906   6.934
  211    HG1  THR  26           HG1      THR  26   0.751   4.409   8.953
  212   HG21  THR  26          HG21      THR  26   0.077   5.898   6.124
  213   HG22  THR  26          HG22      THR  26  -1.414   4.958   6.115
  214   HG23  THR  26          HG23      THR  26  -0.086   4.518   5.042
  215    H    TRP  27           HN       TRP  27  -1.689   1.248   5.332
  216    HA   TRP  27           HA       TRP  27   0.698   0.272   3.936
  217    HB2  TRP  27           HB2      TRP  27  -2.136  -0.783   4.051
  218    HB3  TRP  27           HB1      TRP  27  -0.905  -1.423   2.967
  219    HD1  TRP  27           HD1      TRP  27   1.194  -0.845   5.687
  220    HE1  TRP  27           HE1      TRP  27   1.364  -2.819   7.320
  221    HE3  TRP  27           HE3      TRP  27  -2.989  -3.410   4.257
  222    HZ2  TRP  27           HZ2      TRP  27  -0.098  -5.176   7.918
  223    HZ3  TRP  27           HZ3      TRP  27  -3.533  -5.516   5.407
  224    HH2  TRP  27           HH2      TRP  27  -2.117  -6.380   7.200
  225    H    LEU  28           HN       LEU  28   0.769   0.289   1.672
  226    HA   LEU  28           HA       LEU  28  -1.163   2.051   0.323
  227    HB2  LEU  28           HB2      LEU  28   1.501   2.716   0.952
  228    HB3  LEU  28           HB1      LEU  28   1.496   2.350  -0.760
  229    HG   LEU  28           HG       LEU  28  -0.475   4.279   0.434
  230   HD11  LEU  28          HD11      LEU  28   1.641   5.162   1.069
  231   HD12  LEU  28          HD12      LEU  28   1.105   6.056  -0.353
  232   HD13  LEU  28          HD13      LEU  28   2.332   4.799  -0.510
  233   HD21  LEU  28          HD21      LEU  28  -0.362   5.175  -1.903
  234   HD22  LEU  28          HD22      LEU  28  -1.048   3.558  -1.758
  235   HD23  LEU  28          HD23      LEU  28   0.609   3.766  -2.327
  236    H    ILE  29           HN       ILE  29  -1.678   1.441  -1.758
  237    HA   ILE  29           HA       ILE  29  -0.592  -1.146  -2.610
  238    HB   ILE  29           HB       ILE  29  -2.812   0.266  -4.045
  239   HG12  ILE  29          HG12      ILE  29  -3.256  -1.553  -1.676
  240   HG13  ILE  29          HG11      ILE  29  -3.316   0.204  -1.565
  241   HG21  ILE  29          HG21      ILE  29  -3.504  -2.015  -4.574
  242   HG22  ILE  29          HG22      ILE  29  -2.185  -2.649  -3.588
  243   HG23  ILE  29          HG23      ILE  29  -1.829  -1.729  -5.052
  244   HD11  ILE  29          HD11      ILE  29  -5.112  -1.574  -3.194
  245   HD12  ILE  29          HD12      ILE  29  -5.116   0.187  -3.273
  246   HD13  ILE  29          HD13      ILE  29  -5.544  -0.629  -1.770
  247    H    LEU  30           HN       LEU  30   1.007  -1.152  -4.002
  248    HA   LEU  30           HA       LEU  30   1.103   0.929  -6.083
  249    HB2  LEU  30           HB2      LEU  30   3.501  -0.204  -4.635
  250    HB3  LEU  30           HB1      LEU  30   3.527   1.010  -5.899
  251    HG   LEU  30           HG       LEU  30   2.209   1.428  -3.216
  252   HD11  LEU  30          HD11      LEU  30   4.591   1.081  -2.901
  253   HD12  LEU  30          HD12      LEU  30   4.174   2.779  -2.659
  254   HD13  LEU  30          HD13      LEU  30   4.946   2.264  -4.160
  255   HD21  LEU  30          HD21      LEU  30   3.033   3.385  -5.356
  256   HD22  LEU  30          HD22      LEU  30   2.213   3.759  -3.840
  257   HD23  LEU  30          HD23      LEU  30   1.385   2.820  -5.082
  258    H    HIS  31           HN       HIS  31   0.849   0.010  -7.968
  259    HA   HIS  31           HA       HIS  31   1.030  -1.405  -9.733
  260    HB2  HIS  31           HB2      HIS  31   3.448  -2.140  -8.154
  261    HB3  HIS  31           HB1      HIS  31   2.941  -3.248  -9.422
  262    HD1  HIS  31           HD1      HIS  31   3.262  -2.501 -11.849
  263    HD2  HIS  31           HD2      HIS  31   4.386   0.368  -9.054
  264    HE1  HIS  31           HE1      HIS  31   4.538  -0.758 -13.141
  265    HE2  HIS  31           HE2      HIS  31   5.281   0.926 -11.421
  266    H    HIS  32           HN       HIS  32  -0.677  -1.878  -7.482
  267    HA   HIS  32           HA       HIS  32  -2.282  -3.354  -6.876
  268    HB2  HIS  32           HB2      HIS  32  -0.994  -5.122  -8.960
  269    HB3  HIS  32           HB1      HIS  32  -2.441  -5.569  -8.063
  270    HD1  HIS  32           HD1      HIS  32  -1.527  -4.218 -11.196
  271    HD2  HIS  32           HD2      HIS  32  -4.496  -3.329  -8.420
  272    HE1  HIS  32           HE1      HIS  32  -3.284  -2.941 -12.465
  273    HE2  HIS  32           HE2      HIS  32  -4.972  -2.255 -10.727
  274    H    LYS  33           HN       LYS  33   0.570  -3.299  -5.797
  275    HA   LYS  33           HA       LYS  33   0.389  -5.810  -4.263
  276    HB2  LYS  33           HB2      LYS  33   2.880  -4.202  -4.876
  277    HB3  LYS  33           HB1      LYS  33   2.815  -5.689  -3.938
  278    HG2  LYS  33           HG2      LYS  33   2.027  -6.889  -5.929
  279    HG3  LYS  33           HG1      LYS  33   2.164  -5.399  -6.864
  280    HD2  LYS  33           HD2      LYS  33   4.591  -5.336  -6.171
  281    HD3  LYS  33           HD1      LYS  33   4.365  -6.974  -5.555
  282    HE2  LYS  33           HE2      LYS  33   3.845  -6.110  -8.399
  283    HE3  LYS  33           HE1      LYS  33   5.316  -6.904  -7.843
  284    HZ1  LYS  33           HZ1      LYS  33   2.775  -8.039  -8.491
  285    HZ2  LYS  33           HZ2      LYS  33   3.301  -8.531  -6.959
  286    HZ3  LYS  33           HZ3      LYS  33   4.277  -8.792  -8.320
  287    H    VAL  34           HN       VAL  34   0.880  -5.651  -1.989
  288    HA   VAL  34           HA       VAL  34   0.190  -3.016  -0.915
  289    HB   VAL  34           HB       VAL  34   0.259  -5.646   0.568
  290   HG11  VAL  34          HG11      VAL  34  -1.162  -4.478   2.185
  291   HG12  VAL  34          HG12      VAL  34  -1.077  -3.014   1.206
  292   HG13  VAL  34          HG13      VAL  34   0.379  -3.645   1.975
  293   HG21  VAL  34          HG21      VAL  34  -1.332  -5.759  -1.301
  294   HG22  VAL  34          HG22      VAL  34  -2.112  -4.287  -0.719
  295   HG23  VAL  34          HG23      VAL  34  -2.155  -5.754   0.259
  296    H    TYR  35           HN       TYR  35   1.695  -1.777  -0.059
  297    HA   TYR  35           HA       TYR  35   4.144  -3.047   0.990
  298    HB2  TYR  35           HB2      TYR  35   3.807  -0.374  -0.382
  299    HB3  TYR  35           HB1      TYR  35   5.290  -0.899   0.404
  300    HD1  TYR  35           HD2      TYR  35   6.585  -2.787  -0.529
  301    HD2  TYR  35           HD1      TYR  35   3.204  -1.188  -2.549
  302    HE1  TYR  35           HE2      TYR  35   7.316  -3.880  -2.605
  303    HE2  TYR  35           HE1      TYR  35   3.923  -2.281  -4.633
  304    HH   TYR  35           HH       TYR  35   7.031  -3.913  -4.870
  305    H    ASP  36           HN       ASP  36   4.728  -2.602   3.019
  306    HA   ASP  36           HA       ASP  36   3.023  -0.812   4.589
  307    HB2  ASP  36           HB2      ASP  36   3.424  -3.139   5.389
  308    HB3  ASP  36           HB1      ASP  36   5.138  -2.778   5.518
  309    H    LEU  37           HN       LEU  37   3.701   1.226   4.588
  310    HA   LEU  37           HA       LEU  37   6.547   1.732   5.124
  311    HB2  LEU  37           HB2      LEU  37   6.632   3.519   3.593
  312    HB3  LEU  37           HB1      LEU  37   5.849   2.211   2.731
  313    HG   LEU  37           HG       LEU  37   4.264   4.402   4.058
  314   HD11  LEU  37          HD11      LEU  37   5.303   4.366   1.231
  315   HD12  LEU  37          HD12      LEU  37   5.844   5.447   2.516
  316   HD13  LEU  37          HD13      LEU  37   4.188   5.547   1.916
  317   HD21  LEU  37          HD21      LEU  37   3.664   2.482   1.815
  318   HD22  LEU  37          HD22      LEU  37   2.590   3.761   2.379
  319   HD23  LEU  37          HD23      LEU  37   3.010   2.426   3.452
  320    H    THR  38           HN       THR  38   4.258   1.499   6.884
  321    HA   THR  38           HA       THR  38   3.217   3.993   7.644
  322    HB   THR  38           HB       THR  38   2.425   1.626   8.298
  323    HG1  THR  38           HG1      THR  38   2.500   3.761  10.201
  324   HG21  THR  38          HG21      THR  38   4.257   2.136  10.639
  325   HG22  THR  38          HG22      THR  38   4.582   0.964   9.358
  326   HG23  THR  38          HG23      THR  38   3.175   0.761  10.407
  327    H    LYS  39           HN       LYS  39   6.312   2.583   8.234
  328    HA   LYS  39           HA       LYS  39   6.887   4.686  10.209
  329    HB2  LYS  39           HB2      LYS  39   8.180   1.998   9.756
  330    HB3  LYS  39           HB1      LYS  39   8.906   3.244  10.762
  331    HG2  LYS  39           HG2      LYS  39   6.159   2.113  11.229
  332    HG3  LYS  39           HG1      LYS  39   7.620   1.499  12.003
  333    HD2  LYS  39           HD2      LYS  39   7.998   3.612  13.087
  334    HD3  LYS  39           HD1      LYS  39   6.673   4.357  12.191
  335    HE2  LYS  39           HE2      LYS  39   5.048   3.126  13.356
  336    HE3  LYS  39           HE1      LYS  39   6.243   2.000  13.996
  337    HZ1  LYS  39           HZ1      LYS  39   7.193   3.934  15.230
  338    HZ2  LYS  39           HZ2      LYS  39   5.653   3.458  15.736
  339    HZ3  LYS  39           HZ3      LYS  39   5.835   4.829  14.768
  340    H    PHE  40           HN       PHE  40   6.973   4.410   7.098
  341    HA   PHE  40           HA       PHE  40   9.679   5.543   6.792
  342    HB2  PHE  40           HB2      PHE  40   8.888   3.289   5.605
  343    HB3  PHE  40           HB1      PHE  40   8.227   4.433   4.443
  344    HD1  PHE  40           HD1      PHE  40  11.366   3.516   6.196
  345    HD2  PHE  40           HD2      PHE  40   9.578   5.319   2.782
  346    HE1  PHE  40           HE1      PHE  40  13.581   3.697   5.136
  347    HE2  PHE  40           HE2      PHE  40  11.786   5.502   1.714
  348    HZ   PHE  40           HZ       PHE  40  13.788   4.687   2.893
  349    H    LEU  41           HN       LEU  41   6.680   6.489   7.163
  350    HA   LEU  41           HA       LEU  41   5.963   8.028   4.954
  351    HB2  LEU  41           HB2      LEU  41   5.391   8.482   7.882
  352    HB3  LEU  41           HB1      LEU  41   4.589   9.328   6.573
  353    HG   LEU  41           HG       LEU  41   4.479   6.335   6.959
  354   HD11  LEU  41          HD11      LEU  41   3.406   7.405   8.835
  355   HD12  LEU  41          HD12      LEU  41   2.176   6.741   7.760
  356   HD13  LEU  41          HD13      LEU  41   2.508   8.474   7.758
  357   HD21  LEU  41          HD21      LEU  41   2.990   8.238   5.152
  358   HD22  LEU  41          HD22      LEU  41   2.542   6.549   5.403
  359   HD23  LEU  41          HD23      LEU  41   4.096   6.950   4.670
  360    H    GLU  42           HN       GLU  42   7.716   9.056   7.885
  361    HA   GLU  42           HA       GLU  42   8.276  11.634   6.686
  362    HB2  GLU  42           HB2      GLU  42   9.413  12.107   8.845
  363    HB3  GLU  42           HB1      GLU  42   7.733  11.627   9.025
  364    HG2  GLU  42           HG2      GLU  42   8.446   9.364   9.619
  365    HG3  GLU  42           HG1      GLU  42  10.130   9.863   9.461
  366    H    GLU  43           HN       GLU  43   9.682   8.586   6.726
  367    HA   GLU  43           HA       GLU  43  12.426   9.503   6.502
  368    HB2  GLU  43           HB2      GLU  43  11.282   6.731   6.110
  369    HB3  GLU  43           HB1      GLU  43  12.982   7.143   6.279
  370    HG2  GLU  43           HG2      GLU  43  10.926   7.641   8.412
  371    HG3  GLU  43           HG1      GLU  43  11.908   6.179   8.312
  372    H    HIS  44           HN       HIS  44   9.871   9.606   4.581
  373    HA   HIS  44           HA       HIS  44  11.256   8.847   2.115
  374    HB2  HIS  44           HB2      HIS  44   9.035   7.857   2.475
  375    HB3  HIS  44           HB1      HIS  44   8.338   9.462   2.653
  376    HD1  HIS  44           HD1      HIS  44   7.459  10.515   0.554
  377    HD2  HIS  44           HD2      HIS  44  10.074   7.368  -0.208
  378    HE1  HIS  44           HE1      HIS  44   7.367  10.111  -1.933
  379    HA   PRO  45           HA       PRO  45  12.130  13.170   1.438
  380    HB2  PRO  45           HB2      PRO  45  12.578  12.978  -1.270
  381    HB3  PRO  45           HB1      PRO  45  13.780  12.587  -0.035
  382    HG2  PRO  45           HG2      PRO  45  12.012  10.751  -1.581
  383    HG3  PRO  45           HG1      PRO  45  13.711  10.549  -1.111
  384    HD2  PRO  45           HD2      PRO  45  11.727   9.300   0.194
  385    HD3  PRO  45           HD1      PRO  45  13.180   9.884   1.035
  386    H    GLY  46           HN       GLY  46  10.741  14.790   1.190
  387    HA2  GLY  46           HA2      GLY  46   9.314  15.962  -0.474
  388    HA3  GLY  46           HA1      GLY  46   8.505  14.422  -0.707
  389    H    GLY  47           HN       GLY  47   8.330  13.640   2.002
  390    HA2  GLY  47           HA2      GLY  47   7.466  14.738   4.072
  391    HA3  GLY  47           HA1      GLY  47   6.436  15.678   3.000
  392    H    GLU  48           HN       GLU  48   5.438  14.141   5.117
  393    HA   GLU  48           HA       GLU  48   4.445  11.663   3.982
  394    HB2  GLU  48           HB2      GLU  48   3.334  11.373   6.173
  395    HB3  GLU  48           HB1      GLU  48   5.065  11.645   6.317
  396    HG2  GLU  48           HG2      GLU  48   3.248  13.987   6.508
  397    HG3  GLU  48           HG1      GLU  48   3.326  12.875   7.872
  398    H    GLU  49           HN       GLU  49   3.493  14.888   3.943
  399    HA   GLU  49           HA       GLU  49   0.721  14.795   4.223
  400    HB2  GLU  49           HB2      GLU  49   2.017  16.876   4.058
  401    HB3  GLU  49           HB1      GLU  49   2.332  16.541   2.363
  402    HG2  GLU  49           HG2      GLU  49   0.587  18.116   2.412
  403    HG3  GLU  49           HG1      GLU  49  -0.149  16.571   1.993
  404    H    VAL  50           HN       VAL  50   2.689  14.244   1.315
  405    HA   VAL  50           HA       VAL  50   0.351  13.802  -0.310
  406    HB   VAL  50           HB       VAL  50   2.008  13.134  -2.078
  407   HG11  VAL  50          HG11      VAL  50   2.867  15.431  -2.383
  408   HG12  VAL  50          HG12      VAL  50   2.368  15.811  -0.737
  409   HG13  VAL  50          HG13      VAL  50   1.158  15.398  -1.950
  410   HG21  VAL  50          HG21      VAL  50   4.371  13.632  -1.671
  411   HG22  VAL  50          HG22      VAL  50   3.797  12.343  -0.613
  412   HG23  VAL  50          HG23      VAL  50   4.010  13.976   0.019
  413    H    LEU  51           HN       LEU  51   1.875  11.939   1.946
  414    HA   LEU  51           HA       LEU  51   1.407   9.425   0.510
  415    HB2  LEU  51           HB2      LEU  51   2.863  10.021   3.080
  416    HB3  LEU  51           HB1      LEU  51   2.570   8.398   2.489
  417    HG   LEU  51           HG       LEU  51   4.122  10.471   0.940
  418   HD11  LEU  51          HD11      LEU  51   6.126   9.249   1.663
  419   HD12  LEU  51          HD12      LEU  51   5.131   8.282   2.753
  420   HD13  LEU  51          HD13      LEU  51   5.293  10.020   3.011
  421   HD21  LEU  51          HD21      LEU  51   3.942   7.473   0.652
  422   HD22  LEU  51          HD22      LEU  51   4.884   8.568  -0.363
  423   HD23  LEU  51          HD23      LEU  51   3.121   8.646  -0.374
  424    H    ARG  52           HN       ARG  52   0.492  11.203   3.419
  425    HA   ARG  52           HA       ARG  52  -1.112   9.229   4.599
  426    HB2  ARG  52           HB2      ARG  52  -2.179  11.102   5.836
  427    HB3  ARG  52           HB1      ARG  52  -0.422  11.134   5.885
  428    HG2  ARG  52           HG2      ARG  52  -0.426  13.201   5.112
  429    HG3  ARG  52           HG1      ARG  52  -1.271  12.679   3.655
  430    HD2  ARG  52           HD2      ARG  52  -2.511  14.445   4.772
  431    HD3  ARG  52           HD1      ARG  52  -3.413  12.933   4.822
  432    HE   ARG  52           HE       ARG  52  -2.825  12.718   7.138
  433   HH11  ARG  52          HH11      ARG  52  -2.035  15.840   5.669
  434   HH12  ARG  52          HH12      ARG  52  -2.039  16.694   7.263
  435   HH21  ARG  52          HH21      ARG  52  -2.824  13.783   9.154
  436   HH22  ARG  52          HH22      ARG  52  -2.476  15.554   9.200
  437    H    GLU  53           HN       GLU  53  -1.790  11.458   1.999
  438    HA   GLU  53           HA       GLU  53  -4.630  11.057   2.108
  439    HB2  GLU  53           HB2      GLU  53  -4.664  12.268  -0.049
  440    HB3  GLU  53           HB1      GLU  53  -3.801  13.129   1.215
  441    HG2  GLU  53           HG2      GLU  53  -1.685  12.526   0.276
  442    HG3  GLU  53           HG1      GLU  53  -2.468  11.476  -0.907
  443    H    GLN  54           HN       GLN  54  -2.054   9.219   0.940
  444    HA   GLN  54           HA       GLN  54  -3.804   7.764  -0.925
  445    HB2  GLN  54           HB2      GLN  54  -0.787   7.731  -0.683
  446    HB3  GLN  54           HB1      GLN  54  -1.723   6.794  -1.840
  447    HG2  GLN  54           HG2      GLN  54  -1.760   9.798  -1.716
  448    HG3  GLN  54           HG1      GLN  54  -0.664   8.877  -2.739
  449   HE21  GLN  54          HE21      GLN  54  -4.004   9.707  -2.152
  450   HE22  GLN  54          HE22      GLN  54  -4.598   9.252  -3.708
  451    H    ALA  55           HN       ALA  55  -3.129   7.723   2.168
  452    HA   ALA  55           HA       ALA  55  -2.163   5.138   2.748
  453    HB1  ALA  55           HB1      ALA  55  -3.926   6.953   4.394
  454    HB2  ALA  55           HB2      ALA  55  -2.162   6.919   4.404
  455    HB3  ALA  55           HB3      ALA  55  -3.076   5.531   4.997
  456    H    GLY  56           HN       GLY  56  -3.093   3.259   2.327
  457    HA2  GLY  56           HA2      GLY  56  -4.736   1.619   2.407
  458    HA3  GLY  56           HA1      GLY  56  -5.907   2.840   2.884
  459    H    GLY  57           HN       GLY  57  -4.103   3.767   0.185
  460    HA2  GLY  57           HA2      GLY  57  -6.198   2.773  -1.640
  461    HA3  GLY  57           HA1      GLY  57  -5.650   4.443  -1.688
  462    H    ASP  58           HN       ASP  58  -5.421   3.453  -3.998
  463    HA   ASP  58           HA       ASP  58  -2.801   2.177  -4.291
  464    HB2  ASP  58           HB2      ASP  58  -4.731   1.099  -5.437
  465    HB3  ASP  58           HB1      ASP  58  -4.983   2.575  -6.359
  466    H    ALA  59           HN       ALA  59  -1.117   3.316  -4.950
  467    HA   ALA  59           HA       ALA  59  -1.600   5.933  -6.225
  468    HB1  ALA  59           HB1      ALA  59   0.406   6.769  -5.092
  469    HB2  ALA  59           HB2      ALA  59   0.595   5.215  -4.282
  470    HB3  ALA  59           HB3      ALA  59  -0.807   6.225  -3.936
  471    H    THR  60           HN       THR  60  -1.172   3.291  -7.419
  472    HA   THR  60           HA       THR  60   1.442   2.891  -8.321
  473    HB   THR  60           HB       THR  60  -1.092   2.326  -9.877
  474    HG1  THR  60           HG1      THR  60  -1.374   1.245  -7.999
  475   HG21  THR  60          HG21      THR  60   1.637   1.028  -9.967
  476   HG22  THR  60          HG22      THR  60   0.967   2.098 -11.197
  477   HG23  THR  60          HG23      THR  60   0.224   0.526 -10.896
  478    H    GLU  61           HN       GLU  61  -1.178   4.843  -9.686
  479    HA   GLU  61           HA       GLU  61   0.120   5.625 -12.037
  480    HB2  GLU  61           HB2      GLU  61  -1.483   7.519 -12.071
  481    HB3  GLU  61           HB1      GLU  61  -2.257   5.968 -11.775
  482    HG2  GLU  61           HG2      GLU  61  -2.337   6.491  -9.371
  483    HG3  GLU  61           HG1      GLU  61  -1.606   8.059  -9.710
  484    H    ASN  62           HN       ASN  62   0.219   6.999  -8.788
  485    HA   ASN  62           HA       ASN  62   1.698   9.326  -9.529
  486    HB2  ASN  62           HB2      ASN  62   0.256   8.916  -7.418
  487    HB3  ASN  62           HB1      ASN  62   1.681   8.117  -6.770
  488   HD21  ASN  62          HD21      ASN  62   0.307  10.515  -5.874
  489   HD22  ASN  62          HD22      ASN  62   1.490  11.775  -5.883
  490    H    PHE  63           HN       PHE  63   2.518   6.168  -8.215
  491    HA   PHE  63           HA       PHE  63   5.211   6.494  -7.662
  492    HB2  PHE  63           HB2      PHE  63   3.710   4.494  -7.192
  493    HB3  PHE  63           HB1      PHE  63   4.024   3.988  -8.847
  494    HD1  PHE  63           HD1      PHE  63   6.251   3.231  -9.519
  495    HD2  PHE  63           HD2      PHE  63   5.387   4.307  -5.495
  496    HE1  PHE  63           HE1      PHE  63   8.297   2.084  -8.778
  497    HE2  PHE  63           HE2      PHE  63   7.434   3.164  -4.746
  498    HZ   PHE  63           HZ       PHE  63   8.890   2.047  -6.390
  499    H    GLU  64           HN       GLU  64   3.719   5.476 -10.726
  500    HA   GLU  64           HA       GLU  64   6.281   5.414 -12.050
  501    HB2  GLU  64           HB2      GLU  64   4.859   4.929 -14.085
  502    HB3  GLU  64           HB1      GLU  64   4.757   3.764 -12.773
  503    HG2  GLU  64           HG2      GLU  64   2.675   4.932 -12.021
  504    HG3  GLU  64           HG1      GLU  64   2.754   5.889 -13.497
  505    H    ASP  65           HN       ASP  65   3.671   7.666 -11.662
  506    HA   ASP  65           HA       ASP  65   4.139   9.313 -13.893
  507    HB2  ASP  65           HB2      ASP  65   2.146   9.377 -12.305
  508    HB3  ASP  65           HB1      ASP  65   3.177  10.293 -11.209
  509    H    VAL  66           HN       VAL  66   5.319   9.514 -10.561
  510    HA   VAL  66           HA       VAL  66   6.951  11.790 -10.988
  511    HB   VAL  66           HB       VAL  66   7.122   9.644  -8.862
  512   HG11  VAL  66          HG11      VAL  66   9.258  10.887  -9.195
  513   HG12  VAL  66          HG12      VAL  66   8.533  11.124  -7.607
  514   HG13  VAL  66          HG13      VAL  66   8.391  12.381  -8.836
  515   HG21  VAL  66          HG21      VAL  66   5.017  10.946  -8.916
  516   HG22  VAL  66          HG22      VAL  66   5.958  12.426  -8.741
  517   HG23  VAL  66          HG23      VAL  66   5.957  11.226  -7.451
  518    H    GLY  67           HN       GLY  67   7.605   8.315 -10.989
  519    HA2  GLY  67           HA2      GLY  67   9.187   7.251 -12.374
  520    HA3  GLY  67           HA1      GLY  67   9.983   8.799 -12.620
  521    H    HIS  68           HN       HIS  68   9.755   5.977 -10.668
  522    HA   HIS  68           HA       HIS  68  11.599   7.011  -8.662
  523    HB2  HIS  68           HB2      HIS  68   9.991   4.485  -8.942
  524    HB3  HIS  68           HB1      HIS  68  11.306   4.583  -7.776
  525    HD1  HIS  68           HD1      HIS  68   8.082   6.470  -8.602
  526    HD2  HIS  68           HD2      HIS  68  10.592   5.606  -5.403
  527    HE1  HIS  68           HE1      HIS  68   6.968   7.426  -6.544
  528    H    SER  69           HN       SER  69  13.690   6.360  -8.395
  529    HA   SER  69           HA       SER  69  15.056   5.380 -10.674
  530    HB2  SER  69           HB2      SER  69  16.081   5.650  -7.843
  531    HB3  SER  69           HB1      SER  69  17.058   5.545  -9.308
  532    HG   SER  69           HG       SER  69  15.464   7.663  -8.351
  533    H    THR  70           HN       THR  70  16.630   3.523 -10.519
  534    HA   THR  70           HA       THR  70  15.253   1.122 -10.275
  535    HB   THR  70           HB       THR  70  18.013   0.565 -10.024
  536    HG1  THR  70           HG1      THR  70  18.773   1.971 -11.744
  537   HG21  THR  70          HG21      THR  70  16.337   0.802 -12.524
  538   HG22  THR  70          HG22      THR  70  16.331  -0.591 -11.444
  539   HG23  THR  70          HG23      THR  70  17.798  -0.159 -12.319
  540    H    ASP  71           HN       ASP  71  17.663   2.556  -8.069
  541    HA   ASP  71           HA       ASP  71  17.674   0.472  -6.181
  542    HB2  ASP  71           HB2      ASP  71  19.422   2.084  -6.055
  543    HB3  ASP  71           HB1      ASP  71  18.280   3.419  -5.932
  544    H    ALA  72           HN       ALA  72  15.665   3.343  -6.470
  545    HA   ALA  72           HA       ALA  72  14.337   3.183  -4.011
  546    HB1  ALA  72           HB1      ALA  72  13.270   4.310  -6.590
  547    HB2  ALA  72           HB2      ALA  72  14.346   5.159  -5.482
  548    HB3  ALA  72           HB3      ALA  72  12.727   4.701  -4.959
  549    H    ARG  73           HN       ARG  73  13.364   1.929  -7.210
  550    HA   ARG  73           HA       ARG  73  10.940   0.837  -6.231
  551    HB2  ARG  73           HB2      ARG  73  10.725  -0.267  -8.379
  552    HB3  ARG  73           HB1      ARG  73  11.233   1.400  -8.590
  553    HG2  ARG  73           HG2      ARG  73  12.744   0.562  -9.992
  554    HG3  ARG  73           HG1      ARG  73  13.624   0.080  -8.540
  555    HD2  ARG  73           HD2      ARG  73  13.330  -1.747 -10.208
  556    HD3  ARG  73           HD1      ARG  73  12.674  -2.115  -8.613
  557    HE   ARG  73           HE       ARG  73  10.792  -1.029 -10.540
  558   HH11  ARG  73          HH11      ARG  73  12.189  -3.876  -9.005
  559   HH12  ARG  73          HH12      ARG  73  10.793  -4.932  -9.463
  560   HH21  ARG  73          HH21      ARG  73   9.006  -2.325 -11.112
  561   HH22  ARG  73          HH22      ARG  73   9.009  -4.068 -10.643
  562    H    GLU  74           HN       GLU  74  14.189  -0.483  -6.534
  563    HA   GLU  74           HA       GLU  74  13.376  -3.177  -5.965
  564    HB2  GLU  74           HB2      GLU  74  16.080  -1.834  -5.924
  565    HB3  GLU  74           HB1      GLU  74  15.841  -3.546  -5.606
  566    HG2  GLU  74           HG2      GLU  74  15.083  -2.140  -8.155
  567    HG3  GLU  74           HG1      GLU  74  16.546  -3.092  -7.914
  568    H    LEU  75           HN       LEU  75  14.118  -0.388  -4.093
  569    HA   LEU  75           HA       LEU  75  14.784  -1.698  -1.653
  570    HB2  LEU  75           HB2      LEU  75  15.434   0.616  -2.163
  571    HB3  LEU  75           HB1      LEU  75  13.748   1.092  -2.165
  572    HG   LEU  75           HG       LEU  75  13.769   0.200   0.291
  573   HD11  LEU  75          HD11      LEU  75  15.920   0.507   1.397
  574   HD12  LEU  75          HD12      LEU  75  16.686   0.795  -0.165
  575   HD13  LEU  75          HD13      LEU  75  15.990  -0.784   0.199
  576   HD21  LEU  75          HD21      LEU  75  14.438   2.432   1.073
  577   HD22  LEU  75          HD22      LEU  75  13.354   2.509  -0.316
  578   HD23  LEU  75          HD23      LEU  75  15.081   2.788  -0.530
  579    H    SER  76           HN       SER  76  11.814  -0.881  -3.242
  580    HA   SER  76           HA       SER  76  10.113  -0.813  -0.991
  581    HB2  SER  76           HB2      SER  76   8.294  -0.953  -2.554
  582    HB3  SER  76           HB1      SER  76   9.554   0.032  -3.300
  583    HG   SER  76           HG       SER  76  10.071  -1.621  -4.647
  584    H    LYS  77           HN       LYS  77  11.729  -3.366  -2.527
  585    HA   LYS  77           HA       LYS  77   9.939  -5.500  -2.159
  586    HB2  LYS  77           HB2      LYS  77  12.137  -5.358  -3.512
  587    HB3  LYS  77           HB1      LYS  77  12.917  -5.807  -2.002
  588    HG2  LYS  77           HG2      LYS  77  11.548  -7.841  -1.922
  589    HG3  LYS  77           HG1      LYS  77  10.829  -7.395  -3.473
  590    HD2  LYS  77           HD2      LYS  77  13.175  -7.336  -4.400
  591    HD3  LYS  77           HD1      LYS  77  13.696  -8.088  -2.891
  592    HE2  LYS  77           HE2      LYS  77  12.302  -9.996  -3.307
  593    HE3  LYS  77           HE1      LYS  77  11.608  -9.228  -4.735
  594    HZ1  LYS  77           HZ1      LYS  77  13.288 -10.816  -5.371
  595    HZ2  LYS  77           HZ2      LYS  77  14.442 -10.050  -4.396
  596    HZ3  LYS  77           HZ3      LYS  77  13.816  -9.254  -5.749
  597    H    THR  78           HN       THR  78  11.820  -3.744   0.132
  598    HA   THR  78           HA       THR  78  11.747  -5.926   2.055
  599    HB   THR  78           HB       THR  78  13.676  -4.182   1.755
  600    HG1  THR  78           HG1      THR  78  14.319  -5.126   3.530
  601   HG21  THR  78          HG21      THR  78  12.314  -2.176   2.064
  602   HG22  THR  78          HG22      THR  78  13.540  -2.308   3.326
  603   HG23  THR  78          HG23      THR  78  11.863  -2.721   3.679
  604    H    PHE  79           HN       PHE  79   9.657  -3.570   1.007
  605    HA   PHE  79           HA       PHE  79   8.341  -3.319   3.625
  606    HB2  PHE  79           HB2      PHE  79   7.964  -1.681   1.109
  607    HB3  PHE  79           HB1      PHE  79   7.092  -1.436   2.617
  608    HD1  PHE  79           HD2      PHE  79   8.886  -1.369   4.714
  609    HD2  PHE  79           HD1      PHE  79   9.577  -0.129   0.705
  610    HE1  PHE  79           HE2      PHE  79  10.674   0.130   5.490
  611    HE2  PHE  79           HE1      PHE  79  11.371   1.371   1.472
  612    HZ   PHE  79           HZ       PHE  79  11.920   1.500   3.870
  613    H    ILE  80           HN       ILE  80   8.177  -5.134   0.849
  614    HA   ILE  80           HA       ILE  80   5.335  -5.200   0.509
  615    HB   ILE  80           HB       ILE  80   6.828  -5.745  -1.362
  616   HG12  ILE  80          HG12      ILE  80   5.738  -8.090  -1.858
  617   HG13  ILE  80          HG11      ILE  80   4.812  -7.731  -0.405
  618   HG21  ILE  80          HG21      ILE  80   8.639  -6.853  -0.259
  619   HG22  ILE  80          HG22      ILE  80   7.940  -7.963  -1.439
  620   HG23  ILE  80          HG23      ILE  80   7.577  -8.156   0.277
  621   HD11  ILE  80          HD11      ILE  80   3.621  -7.065  -2.403
  622   HD12  ILE  80          HD12      ILE  80   4.963  -6.017  -2.869
  623   HD13  ILE  80          HD13      ILE  80   4.029  -5.661  -1.415
  624    H    ILE  81           HN       ILE  81   3.905  -6.264   1.682
  625    HA   ILE  81           HA       ILE  81   4.831  -8.549   3.296
  626    HB   ILE  81           HB       ILE  81   3.286  -7.998   5.056
  627   HG12  ILE  81          HG12      ILE  81   1.607  -6.893   3.446
  628   HG13  ILE  81          HG11      ILE  81   1.756  -6.223   5.065
  629   HG21  ILE  81          HG21      ILE  81   5.029  -5.697   4.219
  630   HG22  ILE  81          HG22      ILE  81   5.422  -7.018   5.316
  631   HG23  ILE  81          HG23      ILE  81   4.240  -5.802   5.790
  632   HD11  ILE  81          HD11      ILE  81   3.397  -4.558   3.962
  633   HD12  ILE  81          HD12      ILE  81   1.664  -4.352   3.724
  634   HD13  ILE  81          HD13      ILE  81   2.647  -5.080   2.453
  635    H    GLY  82           HN       GLY  82   3.080  -7.751   0.695
  636    HA2  GLY  82           HA2      GLY  82   1.914 -10.134   0.197
  637    HA3  GLY  82           HA1      GLY  82   0.718  -9.328   1.196
  638    H    GLU  83           HN       GLU  83  -0.394  -9.854  -0.963
  639    HA   GLU  83           HA       GLU  83  -0.235  -7.441  -2.634
  640    HB2  GLU  83           HB2      GLU  83  -0.573 -10.283  -3.604
  641    HB3  GLU  83           HB1      GLU  83  -0.805  -8.861  -4.608
  642    HG2  GLU  83           HG2      GLU  83   1.572  -8.248  -4.122
  643    HG3  GLU  83           HG1      GLU  83   1.745  -9.827  -3.354
  644    H    LEU  84           HN       LEU  84  -2.267  -7.378  -4.100
  645    HA   LEU  84           HA       LEU  84  -4.564  -7.569  -2.354
  646    HB2  LEU  84           HB2      LEU  84  -3.783  -5.962  -4.560
  647    HB3  LEU  84           HB1      LEU  84  -5.241  -6.811  -5.029
  648    HG   LEU  84           HG       LEU  84  -5.787  -4.635  -4.116
  649   HD11  LEU  84          HD11      LEU  84  -7.422  -5.294  -2.472
  650   HD12  LEU  84          HD12      LEU  84  -6.561  -6.800  -2.167
  651   HD13  LEU  84          HD13      LEU  84  -7.327  -6.525  -3.728
  652   HD21  LEU  84          HD21      LEU  84  -3.823  -4.359  -2.677
  653   HD22  LEU  84          HD22      LEU  84  -4.458  -5.583  -1.576
  654   HD23  LEU  84          HD23      LEU  84  -5.323  -4.062  -1.800
  655    H    HIS  85           HN       HIS  85  -6.404  -8.807  -2.768
  656    HA   HIS  85           HA       HIS  85  -6.056 -11.394  -3.712
  657    HB2  HIS  85           HB2      HIS  85  -8.434  -9.718  -3.059
  658    HB3  HIS  85           HB1      HIS  85  -8.713 -11.197  -3.970
  659    HD1  HIS  85           HD1      HIS  85  -9.906 -12.410  -2.069
  660    HD2  HIS  85           HD2      HIS  85  -6.092 -11.105  -1.061
  661    HE1  HIS  85           HE1      HIS  85  -9.370 -13.523   0.118
  662    HE2  HIS  85           HE2      HIS  85  -6.995 -12.858   0.622
  663    HA   PRO  86           HA       PRO  86  -6.144 -11.143  -8.135
  664    HB2  PRO  86           HB2      PRO  86  -7.374 -13.555  -8.666
  665    HB3  PRO  86           HB1      PRO  86  -5.654 -13.369  -8.299
  666    HG2  PRO  86           HG2      PRO  86  -7.883 -14.178  -6.491
  667    HG3  PRO  86           HG1      PRO  86  -6.230 -14.813  -6.597
  668    HD2  PRO  86           HD2      PRO  86  -6.936 -13.119  -4.655
  669    HD3  PRO  86           HD1      PRO  86  -5.328 -13.051  -5.407
  670    H    ASP  87           HN       ASP  87  -9.074 -12.120  -6.422
  671    HA   ASP  87           HA       ASP  87 -10.898 -11.635  -8.521
  672    HB2  ASP  87           HB2      ASP  87 -11.548 -11.339  -5.588
  673    HB3  ASP  87           HB1      ASP  87 -12.616 -11.847  -6.890
  674    H    ASP  88           HN       ASP  88  -9.438  -9.597  -6.100
  675    HA   ASP  88           HA       ASP  88 -11.084  -7.305  -6.811
  676    HB2  ASP  88           HB2      ASP  88  -8.975  -7.809  -4.722
  677    HB3  ASP  88           HB1      ASP  88  -9.469  -6.167  -5.113
  678    H    ARG  89           HN       ARG  89  -8.729  -8.782  -8.336
  679    HA   ARG  89           HA       ARG  89  -7.337  -6.310  -9.121
  680    HB2  ARG  89           HB2      ARG  89  -6.106  -8.423  -8.088
  681    HB3  ARG  89           HB1      ARG  89  -6.197  -8.991  -9.748
  682    HG2  ARG  89           HG2      ARG  89  -5.108  -6.858 -10.455
  683    HG3  ARG  89           HG1      ARG  89  -4.861  -6.496  -8.744
  684    HD2  ARG  89           HD2      ARG  89  -3.831  -8.947 -10.169
  685    HD3  ARG  89           HD1      ARG  89  -2.879  -7.510  -9.809
  686    HE   ARG  89           HE       ARG  89  -4.086  -8.655  -7.475
  687   HH11  ARG  89          HH11      ARG  89  -1.369  -8.847  -9.691
  688   HH12  ARG  89          HH12      ARG  89  -0.304  -9.673  -8.493
  689   HH21  ARG  89          HH21      ARG  89  -2.762  -9.687  -5.911
  690   HH22  ARG  89          HH22      ARG  89  -1.059 -10.120  -6.369
  691    H    SER  90           HN       SER  90  -8.655  -9.378 -10.352
  692    HA   SER  90           HA       SER  90  -9.191  -8.001 -12.888
  693    HB2  SER  90           HB2      SER  90  -8.021 -10.789 -12.718
  694    HB3  SER  90           HB1      SER  90  -8.391  -9.890 -14.189
  695    HG   SER  90           HG       SER  90  -6.854  -8.289 -12.899
  696    H    LYS  91           HN       LYS  91 -11.183  -8.172 -11.200
  697    HA   LYS  91           HA       LYS  91 -13.061  -9.871 -12.536
  698    HB2  LYS  91           HB2      LYS  91 -11.981 -11.373 -10.784
  699    HB3  LYS  91           HB1      LYS  91 -12.732 -10.346  -9.570
  700    HG2  LYS  91           HG2      LYS  91 -14.939 -10.901 -10.483
  701    HG3  LYS  91           HG1      LYS  91 -14.174 -11.940 -11.684
  702    HD2  LYS  91           HD2      LYS  91 -13.993 -12.306  -8.697
  703    HD3  LYS  91           HD1      LYS  91 -15.062 -13.208  -9.767
  704    HE2  LYS  91           HE2      LYS  91 -12.045 -13.204  -9.832
  705    HE3  LYS  91           HE1      LYS  91 -13.074 -14.502  -9.233
  706    HZ1  LYS  91           HZ1      LYS  91 -12.333 -15.017 -11.434
  707    HZ2  LYS  91           HZ2      LYS  91 -12.894 -13.541 -12.035
  708    HZ3  LYS  91           HZ3      LYS  91 -13.996 -14.704 -11.492
  709    H    LEU  92           HN       LEU  92 -12.717  -8.286  -9.372
  710    HA   LEU  92           HA       LEU  92 -13.898  -6.672  -8.319
  711    HB2  LEU  92           HB2      LEU  92 -13.947  -5.763 -11.170
  712    HB3  LEU  92           HB1      LEU  92 -14.854  -4.871  -9.966
  713    HG   LEU  92           HG       LEU  92 -12.760  -3.770 -10.247
  714   HD11  LEU  92          HD11      LEU  92 -11.915  -3.731  -8.048
  715   HD12  LEU  92          HD12      LEU  92 -12.438  -5.383  -7.733
  716   HD13  LEU  92          HD13      LEU  92 -13.634  -4.098  -7.910
  717   HD21  LEU  92          HD21      LEU  92 -11.420  -6.416  -9.711
  718   HD22  LEU  92          HD22      LEU  92 -10.612  -4.868  -9.968
  719   HD23  LEU  92          HD23      LEU  92 -11.529  -5.613 -11.279
  720    H    SER  93           HN       SER  93 -15.372  -8.913  -8.448
  721    HA   SER  93           HA       SER  93 -18.068  -7.964  -9.160
  722    HB2  SER  93           HB2      SER  93 -17.232 -10.842  -8.763
  723    HB3  SER  93           HB1      SER  93 -18.723 -10.246  -9.487
  724    HG   SER  93           HG       SER  93 -16.936  -9.157 -10.951
  725    H    LYS  94           HN       LYS  94 -17.842  -6.802  -7.068
  726    HA   LYS  94           HA       LYS  94 -18.902  -8.434  -4.893
  727    HB2  LYS  94           HB2      LYS  94 -16.446  -6.691  -4.695
  728    HB3  LYS  94           HB1      LYS  94 -17.392  -7.143  -3.286
  729    HG2  LYS  94           HG2      LYS  94 -16.747  -9.350  -3.390
  730    HG3  LYS  94           HG1      LYS  94 -16.359  -9.263  -5.109
  731    HD2  LYS  94           HD2      LYS  94 -14.306  -9.404  -3.856
  732    HD3  LYS  94           HD1      LYS  94 -14.441  -7.787  -4.544
  733    HE2  LYS  94           HE2      LYS  94 -15.497  -7.159  -2.276
  734    HE3  LYS  94           HE1      LYS  94 -14.785  -8.666  -1.702
  735    HZ1  LYS  94           HZ1      LYS  94 -13.204  -7.011  -1.249
  736    HZ2  LYS  94           HZ2      LYS  94 -13.401  -6.275  -2.761
  737    HZ3  LYS  94           HZ3      LYS  94 -12.621  -7.768  -2.654
  738    HA   PRO  95           HA       PRO  95 -21.510  -4.828  -4.596
  739    HB2  PRO  95           HB2      PRO  95 -22.695  -5.375  -2.221
  740    HB3  PRO  95           HB1      PRO  95 -23.096  -6.262  -3.699
  741    HG2  PRO  95           HG2      PRO  95 -21.291  -7.069  -1.457
  742    HG3  PRO  95           HG1      PRO  95 -22.486  -8.037  -2.345
  743    HD2  PRO  95           HD2      PRO  95 -19.828  -8.149  -2.867
  744    HD3  PRO  95           HD1      PRO  95 -21.067  -8.413  -4.108
  745    H    MET  96           HN       MET  96 -21.333  -2.797  -3.675
  746    HA   MET  96           HA       MET  96 -19.165  -2.483  -1.743
  747    HB2  MET  96           HB2      MET  96 -19.108  -1.131  -3.808
  748    HB3  MET  96           HB1      MET  96 -20.619  -0.365  -3.335
  749    HG2  MET  96           HG2      MET  96 -19.622   0.981  -1.831
  750    HG3  MET  96           HG1      MET  96 -18.464  -0.252  -1.338
  751    HE1  MET  96           HE1      MET  96 -17.999   2.445  -5.055
  752    HE2  MET  96           HE2      MET  96 -19.282   2.623  -3.862
  753    HE3  MET  96           HE3      MET  96 -19.254   1.214  -4.920
  754    H    GLU  97           HN       GLU  97 -22.434  -1.125  -2.220
  755    HA   GLU  97           HA       GLU  97 -24.019  -0.394  -0.776
  756    HB2  GLU  97           HB2      GLU  97 -23.875  -2.753  -0.009
  757    HB3  GLU  97           HB1      GLU  97 -22.700  -2.259   1.200
  758    HG2  GLU  97           HG2      GLU  97 -24.472  -0.668   2.065
  759    HG3  GLU  97           HG1      GLU  97 -25.606  -1.539   1.032
  760    H    THR  98           HN       THR  98 -23.460   1.746  -0.568
  761    HA   THR  98           HA       THR  98 -22.382   2.510   1.998
  762    HB   THR  98           HB       THR  98 -20.350   2.216   0.591
  763    HG1  THR  98           HG1      THR  98 -19.440   4.171   1.210
  764   HG21  THR  98          HG21      THR  98 -21.548   4.456  -1.039
  765   HG22  THR  98          HG22      THR  98 -21.250   2.806  -1.582
  766   HG23  THR  98          HG23      THR  98 -19.895   3.863  -1.191
  767    H    LEU  99           HN       LEU  99 -22.328   4.976   2.164
  768    HA   LEU  99           HA       LEU  99 -23.482   6.929   2.210
  769    HB2  LEU  99           HB2      LEU  99 -24.043   6.237  -0.672
  770    HB3  LEU  99           HB1      LEU  99 -24.289   7.811   0.058
  771    HG   LEU  99           HG       LEU  99 -21.586   6.484  -0.041
  772   HD11  LEU  99          HD11      LEU  99 -22.356   6.723  -2.322
  773   HD12  LEU  99          HD12      LEU  99 -21.119   7.933  -1.976
  774   HD13  LEU  99          HD13      LEU  99 -22.820   8.398  -2.017
  775   HD21  LEU  99          HD21      LEU  99 -21.877   8.270   1.607
  776   HD22  LEU  99          HD22      LEU  99 -22.443   9.351   0.334
  777   HD23  LEU  99          HD23      LEU  99 -20.781   8.760   0.313
  778    H    ILE 100           HN       ILE 100 -24.888   4.770   3.232
  779    HA   ILE 100           HA       ILE 100 -27.643   5.253   2.305
  780    HB   ILE 100           HB       ILE 100 -28.251   3.128   3.376
  781   HG12  ILE 100          HG12      ILE 100 -25.291   2.716   3.840
  782   HG13  ILE 100          HG11      ILE 100 -26.416   3.210   5.102
  783   HG21  ILE 100          HG21      ILE 100 -25.939   2.892   1.454
  784   HG22  ILE 100          HG22      ILE 100 -27.632   3.138   1.022
  785   HG23  ILE 100          HG23      ILE 100 -27.128   1.631   1.792
  786   HD11  ILE 100          HD11      ILE 100 -26.000   0.836   5.221
  787   HD12  ILE 100          HD12      ILE 100 -26.504   0.642   3.542
  788   HD13  ILE 100          HD13      ILE 100 -27.677   1.135   4.762
  789    H    THR 101           HN       THR 101 -25.943   6.806   4.257
  790    HA   THR 101           HA       THR 101 -27.995   7.100   6.276
  791    HB   THR 101           HB       THR 101 -25.136   6.517   7.087
  792    HG1  THR 101           HG1      THR 101 -27.287   4.902   6.677
  793   HG21  THR 101          HG21      THR 101 -25.987   6.605   9.384
  794   HG22  THR 101          HG22      THR 101 -27.584   7.047   8.782
  795   HG23  THR 101          HG23      THR 101 -26.224   8.147   8.561
  796    H    THR 102           HN       THR 102 -28.238   9.200   6.802
  797    HA   THR 102           HA       THR 102 -26.544  11.158   5.554
  798    HB   THR 102           HB       THR 102 -28.368  12.329   7.441
  799    HG1  THR 102           HG1      THR 102 -29.477  10.378   5.675
  800   HG21  THR 102          HG21      THR 102 -27.552  13.365   5.354
  801   HG22  THR 102          HG22      THR 102 -29.312  13.335   5.424
  802   HG23  THR 102          HG23      THR 102 -28.451  12.170   4.421
  803    H    VAL 103           HN       VAL 103 -24.571  11.326   6.466
  804    HA   VAL 103           HA       VAL 103 -24.404  11.600   9.393
  805    HB   VAL 103           HB       VAL 103 -21.996  11.152   9.145
  806   HG11  VAL 103          HG11      VAL 103 -23.759   9.104   7.813
  807   HG12  VAL 103          HG12      VAL 103 -23.485   9.281   9.546
  808   HG13  VAL 103          HG13      VAL 103 -22.159   8.793   8.490
  809   HG21  VAL 103          HG21      VAL 103 -21.130  10.366   6.968
  810   HG22  VAL 103          HG22      VAL 103 -21.621  12.062   6.940
  811   HG23  VAL 103          HG23      VAL 103 -22.662  10.830   6.222
  812    H    ASP 104           HN       ASP 104 -24.659  13.490   6.742
  813    HA   ASP 104           HA       ASP 104 -23.616  15.795   8.105
  814    HB2  ASP 104           HB2      ASP 104 -21.940  16.435   6.593
  815    HB3  ASP 104           HB1      ASP 104 -21.664  14.710   6.794
  816    HHB  HEM 400           HB       HEM 400  11.822   4.707  -2.095
  817    HHC  HEM 400           HC       HEM 400   5.506   4.734  -2.486
  818    HHD  HEM 400           HD       HEM 400   5.685  10.651  -4.732
  819    HMA  HEM 400          HMA1      HEM 400  13.721   5.480  -1.721
  820   HMAA  HEM 400          HMA2      HEM 400  14.789   6.818  -2.035
  821   HMAB  HEM 400          HMA3      HEM 400  14.540   5.651  -3.311
  822    HAA  HEM 400          HAA1      HEM 400  14.732   9.232  -2.926
  823   HAAA  HEM 400          HAA2      HEM 400  13.917   9.930  -4.316
  824    HBA  HEM 400          HBA1      HEM 400  14.809   7.201  -4.843
  825   HBAA  HEM 400          HBA2      HEM 400  16.141   8.261  -4.392
  826    HMB  HEM 400          HMB1      HEM 400  10.229   1.876  -2.044
  827   HMBA  HEM 400          HMB2      HEM 400   9.754   2.309  -0.396
  828   HMBB  HEM 400          HMB3      HEM 400  11.168   3.046  -1.141
  829    HAB  HEM 400           HAB      HEM 400   6.587   2.143  -2.301
  830    HBB  HEM 400          HBB1      HEM 400   7.295   2.894   0.648
  831   HBBA  HEM 400          HBB2      HEM 400   6.120   1.515   0.005
  832    HMC  HEM 400          HMC1      HEM 400   2.460   6.780  -3.498
  833   HMCA  HEM 400          HMC2      HEM 400   3.254   6.027  -2.117
  834   HMCB  HEM 400          HMC3      HEM 400   3.401   5.323  -3.730
  835    HAC  HEM 400           HAC      HEM 400   3.464   9.743  -5.090
  836    HBC  HEM 400          HBC1      HEM 400   2.222   8.713  -2.409
  837   HBCA  HEM 400          HBC2      HEM 400   1.484   9.948  -3.681
  838    HMD  HEM 400          HMD1      HEM 400   7.802  13.669  -5.106
  839   HMDA  HEM 400          HMD2      HEM 400   6.372  12.653  -4.916
  840   HMDB  HEM 400          HMD3      HEM 400   7.213  12.727  -6.464
  841    HAD  HEM 400          HAD1      HEM 400  10.081  13.609  -4.689
  842   HADA  HEM 400          HAD2      HEM 400  11.445  12.506  -4.752
  843    HBD  HEM 400          HBD1      HEM 400   9.714  12.815  -7.180
  844   HBDA  HEM 400          HBD2      HEM 400  11.425  12.408  -7.070
  845    HHA  HEM 400           HA       HEM 400  12.020  10.569  -4.453
  Start of MODEL    3
    1    H1   MET   1           HT1      MET   1  20.708 -13.037  17.284
    2    H2   MET   1           HT2      MET   1  21.317 -12.517  18.775
    3    H3   MET   1           HT3      MET   1  20.743 -11.388  17.657
    4    HA   MET   1           HA       MET   1  19.129 -13.453  19.030
    5    HB2  MET   1           HB2      MET   1  19.599 -10.539  19.541
    6    HB3  MET   1           HB1      MET   1  18.010 -11.212  19.876
    7    HG2  MET   1           HG2      MET   1  19.261 -11.262  21.894
    8    HG3  MET   1           HG1      MET   1  19.101 -12.918  21.313
    9    HE1  MET   1           HE1      MET   1  21.178 -12.372  23.539
   10    HE2  MET   1           HE2      MET   1  22.608 -13.188  22.911
   11    HE3  MET   1           HE3      MET   1  21.016 -13.928  22.725
   12    H    ALA   2           HN       ALA   2  18.619 -10.288  17.462
   13    HA   ALA   2           HA       ALA   2  16.396 -11.510  15.980
   14    HB1  ALA   2           HB1      ALA   2  15.628  -9.765  17.446
   15    HB2  ALA   2           HB2      ALA   2  15.510  -9.196  15.780
   16    HB3  ALA   2           HB3      ALA   2  16.829  -8.643  16.809
   17    H    ALA   3           HN       ALA   3  17.168 -12.114  14.040
   18    HA   ALA   3           HA       ALA   3  18.308 -10.029  12.339
   19    HB1  ALA   3           HB1      ALA   3  20.258 -11.154  13.236
   20    HB2  ALA   3           HB2      ALA   3  20.075 -11.548  11.527
   21    HB3  ALA   3           HB3      ALA   3  19.605 -12.721  12.758
   22    H    GLN   4           HN       GLN   4  15.712 -11.313  12.466
   23    HA   GLN   4           HA       GLN   4  15.464 -13.327  10.501
   24    HB2  GLN   4           HB2      GLN   4  13.087 -12.912  10.564
   25    HB3  GLN   4           HB1      GLN   4  13.717 -12.832  12.203
   26    HG2  GLN   4           HG2      GLN   4  13.591 -10.271  10.769
   27    HG3  GLN   4           HG1      GLN   4  12.038 -11.023  11.126
   28   HE21  GLN   4          HE21      GLN   4  11.481  -9.419  12.583
   29   HE22  GLN   4          HE22      GLN   4  12.216  -9.294  14.145
   30    H    SER   5           HN       SER   5  15.059 -13.251   8.343
   31    HA   SER   5           HA       SER   5  14.759 -10.672   7.020
   32    HB2  SER   5           HB2      SER   5  16.960 -12.591   6.218
   33    HB3  SER   5           HB1      SER   5  16.646 -10.987   5.554
   34    HG   SER   5           HG       SER   5  16.907 -10.656   8.135
   35    H    ASP   6           HN       ASP   6  13.014 -12.887   7.441
   36    HA   ASP   6           HA       ASP   6  12.880 -14.550   5.124
   37    HB2  ASP   6           HB2      ASP   6  11.364 -14.156   7.595
   38    HB3  ASP   6           HB1      ASP   6  10.343 -14.546   6.216
   39    H    LYS   7           HN       LYS   7  10.995 -14.590   3.674
   40    HA   LYS   7           HA       LYS   7   9.905 -11.912   3.115
   41    HB2  LYS   7           HB2      LYS   7  10.866 -13.954   1.093
   42    HB3  LYS   7           HB1      LYS   7  10.006 -12.478   0.691
   43    HG2  LYS   7           HG2      LYS   7  12.680 -12.580   2.068
   44    HG3  LYS   7           HG1      LYS   7  12.443 -12.331   0.337
   45    HD2  LYS   7           HD2      LYS   7  10.860 -10.396   1.186
   46    HD3  LYS   7           HD1      LYS   7  11.883 -10.506   2.621
   47    HE2  LYS   7           HE2      LYS   7  13.871 -10.296   1.114
   48    HE3  LYS   7           HE1      LYS   7  12.756  -9.970  -0.212
   49    HZ1  LYS   7           HZ1      LYS   7  13.064  -8.361   2.262
   50    HZ2  LYS   7           HZ2      LYS   7  11.927  -8.056   1.046
   51    HZ3  LYS   7           HZ3      LYS   7  13.580  -7.921   0.711
   52    H    ASP   8           HN       ASP   8   7.746 -11.885   2.443
   53    HA   ASP   8           HA       ASP   8   6.400 -14.467   2.193
   54    HB2  ASP   8           HB2      ASP   8   6.353 -13.279   4.611
   55    HB3  ASP   8           HB1      ASP   8   4.981 -12.468   3.862
   56    H    VAL   9           HN       VAL   9   3.902 -13.887   1.881
   57    HA   VAL   9           HA       VAL   9   3.413 -11.506   0.383
   58    HB   VAL   9           HB       VAL   9   4.594 -12.638  -1.369
   59   HG11  VAL   9          HG11      VAL   9   2.766 -14.977  -0.888
   60   HG12  VAL   9          HG12      VAL   9   4.507 -14.908  -0.609
   61   HG13  VAL   9          HG13      VAL   9   3.871 -14.824  -2.253
   62   HG21  VAL   9          HG21      VAL   9   2.540 -11.388  -1.961
   63   HG22  VAL   9          HG22      VAL   9   1.650 -12.910  -1.952
   64   HG23  VAL   9          HG23      VAL   9   2.950 -12.656  -3.117
   65    H    LYS  10           HN       LYS  10   1.942 -11.559   2.187
   66    HA   LYS  10           HA       LYS  10  -0.203 -13.503   2.170
   67    HB2  LYS  10           HB2      LYS  10   0.882 -12.214   4.198
   68    HB3  LYS  10           HB1      LYS  10  -0.288 -10.972   3.770
   69    HG2  LYS  10           HG2      LYS  10  -2.113 -12.531   4.098
   70    HG3  LYS  10           HG1      LYS  10  -0.973 -13.836   4.424
   71    HD2  LYS  10           HD2      LYS  10  -1.107 -11.316   6.064
   72    HD3  LYS  10           HD1      LYS  10  -2.026 -12.770   6.452
   73    HE2  LYS  10           HE2      LYS  10   0.960 -12.797   6.099
   74    HE3  LYS  10           HE1      LYS  10   0.201 -12.442   7.647
   75    HZ1  LYS  10           HZ1      LYS  10  -0.805 -14.594   7.668
   76    HZ2  LYS  10           HZ2      LYS  10   0.844 -14.801   7.353
   77    HZ3  LYS  10           HZ3      LYS  10  -0.279 -14.929   6.097
   78    H    TYR  11           HN       TYR  11  -1.898 -13.344   0.866
   79    HA   TYR  11           HA       TYR  11  -2.386 -10.939  -0.638
   80    HB2  TYR  11           HB2      TYR  11  -3.545 -13.701  -0.619
   81    HB3  TYR  11           HB1      TYR  11  -4.426 -12.402  -1.418
   82    HD1  TYR  11           HD2      TYR  11  -1.207 -14.247  -1.388
   83    HD2  TYR  11           HD1      TYR  11  -3.768 -11.612  -3.538
   84    HE1  TYR  11           HE2      TYR  11   0.211 -14.501  -3.383
   85    HE2  TYR  11           HE1      TYR  11  -2.360 -11.863  -5.536
   86    HH   TYR  11           HH       TYR  11   0.106 -12.453  -5.979
   87    H    TYR  12           HN       TYR  12  -3.522  -9.300   0.071
   88    HA   TYR  12           HA       TYR  12  -5.481  -9.743   2.212
   89    HB2  TYR  12           HB2      TYR  12  -3.901  -7.333   1.344
   90    HB3  TYR  12           HB1      TYR  12  -5.338  -7.166   2.347
   91    HD1  TYR  12           HD2      TYR  12  -5.376  -8.626   4.518
   92    HD2  TYR  12           HD1      TYR  12  -1.840  -7.648   2.365
   93    HE1  TYR  12           HE2      TYR  12  -4.038  -9.055   6.535
   94    HE2  TYR  12           HE1      TYR  12  -0.494  -8.078   4.375
   95    HH   TYR  12           HH       TYR  12  -1.701  -9.659   7.108
   96    H    THR  13           HN       THR  13  -7.499  -8.636   2.146
   97    HA   THR  13           HA       THR  13  -8.653  -8.599  -0.499
   98    HB   THR  13           HB       THR  13 -10.596  -7.808   1.346
   99    HG1  THR  13           HG1      THR  13 -10.163  -9.688   2.891
  100   HG21  THR  13          HG21      THR  13 -11.408 -10.133   1.085
  101   HG22  THR  13          HG22      THR  13  -9.867 -10.565   0.341
  102   HG23  THR  13          HG23      THR  13 -10.938  -9.408  -0.455
  103    H    LEU  14           HN       LEU  14 -10.000  -6.791  -1.242
  104    HA   LEU  14           HA       LEU  14  -8.649  -4.324  -1.134
  105    HB2  LEU  14           HB2      LEU  14 -10.158  -5.184  -2.981
  106    HB3  LEU  14           HB1      LEU  14 -11.517  -4.736  -1.969
  107    HG   LEU  14           HG       LEU  14 -10.466  -2.374  -1.974
  108   HD11  LEU  14          HD11      LEU  14  -9.108  -1.820  -3.874
  109   HD12  LEU  14          HD12      LEU  14  -9.181  -3.484  -4.464
  110   HD13  LEU  14          HD13      LEU  14  -8.320  -3.116  -2.968
  111   HD21  LEU  14          HD21      LEU  14 -11.624  -1.832  -4.068
  112   HD22  LEU  14          HD22      LEU  14 -12.565  -2.923  -3.052
  113   HD23  LEU  14          HD23      LEU  14 -11.706  -3.550  -4.457
  114    H    GLU  15           HN       GLU  15 -11.426  -5.583   0.595
  115    HA   GLU  15           HA       GLU  15 -12.061  -3.061   1.840
  116    HB2  GLU  15           HB2      GLU  15 -13.677  -4.410   3.166
  117    HB3  GLU  15           HB1      GLU  15 -13.867  -4.608   1.431
  118    HG2  GLU  15           HG2      GLU  15 -12.163  -6.553   2.892
  119    HG3  GLU  15           HG1      GLU  15 -13.913  -6.659   3.077
  120    H    GLU  16           HN       GLU  16  -9.533  -5.033   2.263
  121    HA   GLU  16           HA       GLU  16  -9.464  -4.749   5.185
  122    HB2  GLU  16           HB2      GLU  16  -9.108  -7.018   4.338
  123    HB3  GLU  16           HB1      GLU  16  -7.779  -6.450   3.339
  124    HG2  GLU  16           HG2      GLU  16  -7.023  -7.597   5.367
  125    HG3  GLU  16           HG1      GLU  16  -6.475  -5.924   5.292
  126    H    ILE  17           HN       ILE  17  -7.535  -4.188   2.261
  127    HA   ILE  17           HA       ILE  17  -5.346  -2.974   3.526
  128    HB   ILE  17           HB       ILE  17  -4.960  -1.885   1.251
  129   HG12  ILE  17          HG12      ILE  17  -6.881  -3.828   0.104
  130   HG13  ILE  17          HG11      ILE  17  -7.581  -2.379   0.815
  131   HG21  ILE  17          HG21      ILE  17  -4.330  -4.068   0.241
  132   HG22  ILE  17          HG22      ILE  17  -5.209  -4.875   1.540
  133   HG23  ILE  17          HG23      ILE  17  -3.802  -3.878   1.914
  134   HD11  ILE  17          HD11      ILE  17  -6.154  -1.009  -0.636
  135   HD12  ILE  17          HD12      ILE  17  -7.237  -2.062  -1.543
  136   HD13  ILE  17          HD13      ILE  17  -5.531  -2.481  -1.382
  137    H    LYS  18           HN       LYS  18  -8.303  -1.509   2.191
  138    HA   LYS  18           HA       LYS  18  -7.392   1.159   2.842
  139    HB2  LYS  18           HB2      LYS  18  -9.561   1.897   1.969
  140    HB3  LYS  18           HB1      LYS  18  -8.738   0.834   0.837
  141    HG2  LYS  18           HG2      LYS  18 -10.186  -0.967   1.331
  142    HG3  LYS  18           HG1      LYS  18 -10.857  -0.133   2.734
  143    HD2  LYS  18           HD2      LYS  18 -12.372  -0.093   0.786
  144    HD3  LYS  18           HD1      LYS  18 -11.892   1.520   1.312
  145    HE2  LYS  18           HE2      LYS  18 -10.180   1.554  -0.472
  146    HE3  LYS  18           HE1      LYS  18 -10.753  -0.022  -1.024
  147    HZ1  LYS  18           HZ1      LYS  18 -12.759   0.882  -1.728
  148    HZ2  LYS  18           HZ2      LYS  18 -11.630   2.050  -2.189
  149    HZ3  LYS  18           HZ3      LYS  18 -12.580   2.290  -0.813
  150    H    LYS  19           HN       LYS  19  -8.249  -1.152   4.818
  151    HA   LYS  19           HA       LYS  19  -9.847   0.615   6.553
  152    HB2  LYS  19           HB2      LYS  19 -10.345  -2.059   5.696
  153    HB3  LYS  19           HB1      LYS  19 -10.014  -2.093   7.421
  154    HG2  LYS  19           HG2      LYS  19 -12.348  -1.859   7.184
  155    HG3  LYS  19           HG1      LYS  19 -11.731  -0.286   7.687
  156    HD2  LYS  19           HD2      LYS  19 -12.094   0.666   5.605
  157    HD3  LYS  19           HD1      LYS  19 -12.089  -0.892   4.778
  158    HE2  LYS  19           HE2      LYS  19 -14.338   0.133   4.914
  159    HE3  LYS  19           HE1      LYS  19 -14.244  -1.444   5.692
  160    HZ1  LYS  19           HZ1      LYS  19 -15.490   0.140   7.024
  161    HZ2  LYS  19           HZ2      LYS  19 -14.152   1.172   7.094
  162    HZ3  LYS  19           HZ3      LYS  19 -14.086  -0.347   7.834
  163    H    HIS  20           HN       HIS  20  -6.927  -0.978   6.081
  164    HA   HIS  20           HA       HIS  20  -6.320  -1.247   8.912
  165    HB2  HIS  20           HB2      HIS  20  -5.521  -2.654   6.656
  166    HB3  HIS  20           HB1      HIS  20  -4.094  -1.722   7.100
  167    HD1  HIS  20           HD1      HIS  20  -6.142  -4.635   8.102
  168    HD2  HIS  20           HD2      HIS  20  -3.064  -2.328   9.711
  169    HE1  HIS  20           HE1      HIS  20  -5.241  -5.949  10.050
  170    HE2  HIS  20           HE2      HIS  20  -3.428  -4.514  11.049
  171    H    ASN  21           HN       ASN  21  -5.652   0.904   6.251
  172    HA   ASN  21           HA       ASN  21  -3.358   2.138   7.397
  173    HB2  ASN  21           HB2      ASN  21  -3.721   3.920   5.731
  174    HB3  ASN  21           HB1      ASN  21  -3.790   2.318   5.006
  175   HD21  ASN  21          HD21      ASN  21  -5.292   5.270   5.294
  176   HD22  ASN  21          HD22      ASN  21  -6.830   4.851   4.629
  177    H    HIS  22           HN       HIS  22  -3.271   3.364   9.119
  178    HA   HIS  22           HA       HIS  22  -5.413   5.264   9.686
  179    HB2  HIS  22           HB2      HIS  22  -4.483   3.121  11.600
  180    HB3  HIS  22           HB1      HIS  22  -5.280   4.588  12.152
  181    HD1  HIS  22           HD1      HIS  22  -7.826   4.834  11.585
  182    HD2  HIS  22           HD2      HIS  22  -6.141   1.214  10.438
  183    HE1  HIS  22           HE1      HIS  22  -9.763   3.320  11.070
  184    HE2  HIS  22           HE2      HIS  22  -8.716   1.195  10.207
  185    H    SER  23           HN       SER  23  -2.507   4.018  11.342
  186    HA   SER  23           HA       SER  23  -1.137   6.538  10.924
  187    HB2  SER  23           HB2      SER  23  -0.657   6.620  13.470
  188    HB3  SER  23           HB1      SER  23  -2.222   7.207  12.903
  189    HG   SER  23           HG       SER  23  -3.146   5.693  14.018
  190    H    LYS  24           HN       LYS  24  -1.002   3.663  13.006
  191    HA   LYS  24           HA       LYS  24   1.823   3.302  12.319
  192    HB2  LYS  24           HB2      LYS  24   1.821   1.683  14.197
  193    HB3  LYS  24           HB1      LYS  24   1.327   3.296  14.687
  194    HG2  LYS  24           HG2      LYS  24  -0.988   2.622  14.731
  195    HG3  LYS  24           HG1      LYS  24  -0.569   1.029  14.100
  196    HD2  LYS  24           HD2      LYS  24  -0.905   0.846  16.465
  197    HD3  LYS  24           HD1      LYS  24   0.819   0.664  16.132
  198    HE2  LYS  24           HE2      LYS  24   1.045   3.127  16.644
  199    HE3  LYS  24           HE1      LYS  24  -0.614   3.072  17.230
  200    HZ1  LYS  24           HZ1      LYS  24  -0.028   1.660  18.967
  201    HZ2  LYS  24           HZ2      LYS  24   1.232   2.786  18.918
  202    HZ3  LYS  24           HZ3      LYS  24   1.455   1.242  18.270
  203    H    SER  25           HN       SER  25  -0.572   2.665  10.633
  204    HA   SER  25           HA       SER  25   0.312   0.046   9.779
  205    HB2  SER  25           HB2      SER  25  -2.227  -0.578   9.605
  206    HB3  SER  25           HB1      SER  25  -1.385  -0.786  11.140
  207    HG   SER  25           HG       SER  25  -3.523   0.715  10.597
  208    H    THR  26           HN       THR  26   0.492   2.728   8.796
  209    HA   THR  26           HA       THR  26  -1.430   3.170   6.731
  210    HB   THR  26           HB       THR  26   1.331   4.363   7.040
  211    HG1  THR  26           HG1      THR  26   0.486   5.349   8.704
  212   HG21  THR  26          HG21      THR  26   0.428   6.227   5.745
  213   HG22  THR  26          HG22      THR  26  -1.120   5.395   5.603
  214   HG23  THR  26          HG23      THR  26   0.315   4.725   4.826
  215    H    TRP  27           HN       TRP  27  -1.580   1.606   5.232
  216    HA   TRP  27           HA       TRP  27   0.875   0.651   3.937
  217    HB2  TRP  27           HB2      TRP  27  -1.913  -0.498   4.092
  218    HB3  TRP  27           HB1      TRP  27  -0.691  -1.117   2.987
  219    HD1  TRP  27           HD1      TRP  27   1.502  -0.476   5.601
  220    HE1  TRP  27           HE1      TRP  27   1.751  -2.410   7.276
  221    HE3  TRP  27           HE3      TRP  27  -2.737  -3.077   4.431
  222    HZ2  TRP  27           HZ2      TRP  27   0.324  -4.742   7.994
  223    HZ3  TRP  27           HZ3      TRP  27  -3.224  -5.149   5.660
  224    HH2  TRP  27           HH2      TRP  27  -1.726  -5.964   7.404
  225    H    LEU  28           HN       LEU  28   1.200   0.886   1.778
  226    HA   LEU  28           HA       LEU  28  -0.839   2.410   0.289
  227    HB2  LEU  28           HB2      LEU  28   1.838   3.121   0.870
  228    HB3  LEU  28           HB1      LEU  28   1.781   2.724  -0.837
  229    HG   LEU  28           HG       LEU  28  -0.349   4.527   0.161
  230   HD11  LEU  28          HD11      LEU  28   1.528   5.439   1.363
  231   HD12  LEU  28          HD12      LEU  28   1.157   6.485  -0.006
  232   HD13  LEU  28          HD13      LEU  28   2.531   5.383  -0.084
  233   HD21  LEU  28          HD21      LEU  28   0.152   5.637  -1.998
  234   HD22  LEU  28          HD22      LEU  28  -0.274   3.933  -2.167
  235   HD23  LEU  28          HD23      LEU  28   1.414   4.437  -2.282
  236    H    ILE  29           HN       ILE  29  -1.277   1.734  -1.795
  237    HA   ILE  29           HA       ILE  29  -0.137  -0.883  -2.458
  238    HB   ILE  29           HB       ILE  29  -2.784   0.366  -3.185
  239   HG12  ILE  29          HG12      ILE  29  -3.500  -1.941  -2.196
  240   HG13  ILE  29          HG11      ILE  29  -1.885  -1.949  -1.498
  241   HG21  ILE  29          HG21      ILE  29  -3.266  -1.662  -4.487
  242   HG22  ILE  29          HG22      ILE  29  -1.603  -2.201  -4.246
  243   HG23  ILE  29          HG23      ILE  29  -1.929  -0.737  -5.172
  244   HD11  ILE  29          HD11      ILE  29  -3.952   0.197  -1.065
  245   HD12  ILE  29          HD12      ILE  29  -2.359   0.104  -0.313
  246   HD13  ILE  29          HD13      ILE  29  -3.580  -1.111   0.055
  247    H    LEU  30           HN       LEU  30   1.241  -0.995  -4.031
  248    HA   LEU  30           HA       LEU  30   1.059   0.885  -6.288
  249    HB2  LEU  30           HB2      LEU  30   3.623  -0.098  -5.017
  250    HB3  LEU  30           HB1      LEU  30   3.491   1.002  -6.377
  251    HG   LEU  30           HG       LEU  30   2.448   1.653  -3.623
  252   HD11  LEU  30          HD11      LEU  30   4.467   3.054  -3.408
  253   HD12  LEU  30          HD12      LEU  30   5.097   2.321  -4.883
  254   HD13  LEU  30          HD13      LEU  30   4.829   1.329  -3.448
  255   HD21  LEU  30          HD21      LEU  30   1.436   2.923  -5.437
  256   HD22  LEU  30          HD22      LEU  30   3.037   3.352  -6.040
  257   HD23  LEU  30          HD23      LEU  30   2.499   3.949  -4.471
  258    H    HIS  31           HN       HIS  31   0.969  -0.133  -8.189
  259    HA   HIS  31           HA       HIS  31   0.992  -1.774  -9.770
  260    HB2  HIS  31           HB2      HIS  31   3.231  -2.795  -8.021
  261    HB3  HIS  31           HB1      HIS  31   2.715  -3.650  -9.469
  262    HD1  HIS  31           HD1      HIS  31   2.970  -2.238 -11.759
  263    HD2  HIS  31           HD2      HIS  31   5.029  -0.789  -8.453
  264    HE1  HIS  31           HE1      HIS  31   4.712  -0.682 -12.680
  265    HE2  HIS  31           HE2      HIS  31   6.091  -0.018 -10.684
  266    H    HIS  32           HN       HIS  32  -0.710  -1.835  -7.428
  267    HA   HIS  32           HA       HIS  32  -2.343  -3.096  -6.509
  268    HB2  HIS  32           HB2      HIS  32  -1.527  -4.918  -8.751
  269    HB3  HIS  32           HB1      HIS  32  -2.759  -5.400  -7.591
  270    HD1  HIS  32           HD1      HIS  32  -2.701  -4.231 -10.820
  271    HD2  HIS  32           HD2      HIS  32  -4.645  -2.852  -7.414
  272    HE1  HIS  32           HE1      HIS  32  -4.631  -2.853 -11.655
  273    HE2  HIS  32           HE2      HIS  32  -5.676  -1.879  -9.581
  274    H    LYS  33           HN       LYS  33   0.505  -3.263  -5.654
  275    HA   LYS  33           HA       LYS  33   0.289  -5.752  -4.098
  276    HB2  LYS  33           HB2      LYS  33   2.820  -4.286  -4.887
  277    HB3  LYS  33           HB1      LYS  33   2.738  -5.772  -3.948
  278    HG2  LYS  33           HG2      LYS  33   1.611  -6.837  -5.925
  279    HG3  LYS  33           HG1      LYS  33   1.998  -5.379  -6.837
  280    HD2  LYS  33           HD2      LYS  33   4.372  -5.743  -6.462
  281    HD3  LYS  33           HD1      LYS  33   4.015  -7.159  -5.463
  282    HE2  LYS  33           HE2      LYS  33   2.856  -8.138  -7.475
  283    HE3  LYS  33           HE1      LYS  33   3.521  -6.807  -8.418
  284    HZ1  LYS  33           HZ1      LYS  33   4.806  -8.963  -8.426
  285    HZ2  LYS  33           HZ2      LYS  33   5.233  -8.624  -6.828
  286    HZ3  LYS  33           HZ3      LYS  33   5.694  -7.569  -8.067
  287    H    VAL  34           HN       VAL  34   0.822  -5.616  -1.872
  288    HA   VAL  34           HA       VAL  34   0.264  -2.971  -0.780
  289    HB   VAL  34           HB       VAL  34   0.464  -5.541   0.779
  290   HG11  VAL  34          HG11      VAL  34  -0.992  -4.369   2.358
  291   HG12  VAL  34          HG12      VAL  34  -0.994  -2.954   1.308
  292   HG13  VAL  34          HG13      VAL  34   0.502  -3.473   2.083
  293   HG21  VAL  34          HG21      VAL  34  -1.153  -5.835  -1.049
  294   HG22  VAL  34          HG22      VAL  34  -1.996  -4.379  -0.527
  295   HG23  VAL  34          HG23      VAL  34  -1.948  -5.790   0.523
  296    H    TYR  35           HN       TYR  35   1.792  -1.704  -0.032
  297    HA   TYR  35           HA       TYR  35   4.311  -2.914   0.912
  298    HB2  TYR  35           HB2      TYR  35   3.868  -0.268  -0.487
  299    HB3  TYR  35           HB1      TYR  35   5.393  -0.757   0.239
  300    HD1  TYR  35           HD2      TYR  35   6.717  -2.573  -0.749
  301    HD2  TYR  35           HD1      TYR  35   3.152  -1.174  -2.594
  302    HE1  TYR  35           HE2      TYR  35   7.371  -3.690  -2.840
  303    HE2  TYR  35           HE1      TYR  35   3.794  -2.282  -4.691
  304    HH   TYR  35           HH       TYR  35   6.209  -4.601  -4.878
  305    H    ASP  36           HN       ASP  36   4.918  -2.472   2.942
  306    HA   ASP  36           HA       ASP  36   3.246  -0.674   4.527
  307    HB2  ASP  36           HB2      ASP  36   3.805  -2.999   5.332
  308    HB3  ASP  36           HB1      ASP  36   5.477  -2.476   5.498
  309    H    LEU  37           HN       LEU  37   3.844   1.369   4.602
  310    HA   LEU  37           HA       LEU  37   6.693   1.990   4.981
  311    HB2  LEU  37           HB2      LEU  37   6.647   3.759   3.458
  312    HB3  LEU  37           HB1      LEU  37   5.775   2.483   2.639
  313    HG   LEU  37           HG       LEU  37   4.395   4.722   4.118
  314   HD11  LEU  37          HD11      LEU  37   5.044   4.527   1.182
  315   HD12  LEU  37          HD12      LEU  37   5.767   5.654   2.329
  316   HD13  LEU  37          HD13      LEU  37   4.049   5.768   1.944
  317   HD21  LEU  37          HD21      LEU  37   2.500   4.055   2.643
  318   HD22  LEU  37          HD22      LEU  37   2.973   2.817   3.806
  319   HD23  LEU  37          HD23      LEU  37   3.458   2.671   2.117
  320    H    THR  38           HN       THR  38   4.340   1.633   6.752
  321    HA   THR  38           HA       THR  38   3.361   4.121   7.621
  322    HB   THR  38           HB       THR  38   2.478   1.736   8.110
  323    HG1  THR  38           HG1      THR  38   2.519   3.883   9.976
  324   HG21  THR  38          HG21      THR  38   4.268   2.115  10.510
  325   HG22  THR  38          HG22      THR  38   4.519   0.916   9.242
  326   HG23  THR  38          HG23      THR  38   3.092   0.823  10.275
  327    H    LYS  39           HN       LYS  39   6.394   2.587   8.159
  328    HA   LYS  39           HA       LYS  39   6.987   4.553  10.270
  329    HB2  LYS  39           HB2      LYS  39   8.148   1.827   9.726
  330    HB3  LYS  39           HB1      LYS  39   8.966   2.999  10.748
  331    HG2  LYS  39           HG2      LYS  39   6.190   1.926  11.220
  332    HG3  LYS  39           HG1      LYS  39   7.652   1.373  12.038
  333    HD2  LYS  39           HD2      LYS  39   7.977   3.545  13.028
  334    HD3  LYS  39           HD1      LYS  39   6.629   4.209  12.108
  335    HE2  LYS  39           HE2      LYS  39   5.122   2.607  13.275
  336    HE3  LYS  39           HE1      LYS  39   6.490   2.118  14.275
  337    HZ1  LYS  39           HZ1      LYS  39   6.663   4.359  15.103
  338    HZ2  LYS  39           HZ2      LYS  39   5.093   3.787  15.351
  339    HZ3  LYS  39           HZ3      LYS  39   5.405   4.873  14.097
  340    H    PHE  40           HN       PHE  40   7.086   4.538   7.191
  341    HA   PHE  40           HA       PHE  40   9.818   5.634   6.993
  342    HB2  PHE  40           HB2      PHE  40   9.289   3.440   5.722
  343    HB3  PHE  40           HB1      PHE  40   8.333   4.457   4.653
  344    HD1  PHE  40           HD1      PHE  40  11.752   4.097   6.058
  345    HD2  PHE  40           HD2      PHE  40   9.339   5.517   2.849
  346    HE1  PHE  40           HE1      PHE  40  13.780   4.641   4.775
  347    HE2  PHE  40           HE2      PHE  40  11.363   6.062   1.562
  348    HZ   PHE  40           HZ       PHE  40  13.588   5.625   2.526
  349    H    LEU  41           HN       LEU  41   6.726   6.475   7.219
  350    HA   LEU  41           HA       LEU  41   6.134   8.130   5.052
  351    HB2  LEU  41           HB2      LEU  41   5.329   8.522   7.935
  352    HB3  LEU  41           HB1      LEU  41   4.548   9.239   6.541
  353    HG   LEU  41           HG       LEU  41   4.671   6.263   7.017
  354   HD11  LEU  41          HD11      LEU  41   3.446   7.323   8.834
  355   HD12  LEU  41          HD12      LEU  41   2.346   6.452   7.761
  356   HD13  LEU  41          HD13      LEU  41   2.463   8.210   7.668
  357   HD21  LEU  41          HD21      LEU  41   2.993   7.968   5.180
  358   HD22  LEU  41          HD22      LEU  41   2.843   6.224   5.388
  359   HD23  LEU  41          HD23      LEU  41   4.316   6.904   4.699
  360    H    GLU  42           HN       GLU  42   7.689   8.940   8.140
  361    HA   GLU  42           HA       GLU  42   8.129  11.671   7.345
  362    HB2  GLU  42           HB2      GLU  42   9.288  11.881   9.491
  363    HB3  GLU  42           HB1      GLU  42   7.718  11.112   9.687
  364    HG2  GLU  42           HG2      GLU  42   9.115   8.911   9.463
  365    HG3  GLU  42           HG1      GLU  42  10.443   9.958   9.958
  366    H    GLU  43           HN       GLU  43   9.743   8.751   6.792
  367    HA   GLU  43           HA       GLU  43  12.347  10.062   6.483
  368    HB2  GLU  43           HB2      GLU  43  11.534   7.158   6.474
  369    HB3  GLU  43           HB1      GLU  43  13.155   7.703   6.066
  370    HG2  GLU  43           HG2      GLU  43  13.165   8.846   8.337
  371    HG3  GLU  43           HG1      GLU  43  11.736   7.879   8.697
  372    H    HIS  44           HN       HIS  44   9.752   9.960   4.740
  373    HA   HIS  44           HA       HIS  44  10.898   9.038   2.232
  374    HB2  HIS  44           HB2      HIS  44   8.549   8.477   2.799
  375    HB3  HIS  44           HB1      HIS  44   8.159  10.194   2.814
  376    HD1  HIS  44           HD1      HIS  44   7.079  10.931   0.705
  377    HD2  HIS  44           HD2      HIS  44   9.719   7.765   0.086
  378    HE1  HIS  44           HE1      HIS  44   6.974  10.384  -1.760
  379    HA   PRO  45           HA       PRO  45  12.287  13.211   1.421
  380    HB2  PRO  45           HB2      PRO  45  13.311  12.759  -1.034
  381    HB3  PRO  45           HB1      PRO  45  14.109  12.193   0.441
  382    HG2  PRO  45           HG2      PRO  45  12.395  10.669  -1.468
  383    HG3  PRO  45           HG1      PRO  45  13.914  10.187  -0.687
  384    HD2  PRO  45           HD2      PRO  45  11.482   9.381   0.200
  385    HD3  PRO  45           HD1      PRO  45  12.879   9.604   1.272
  386    H    GLY  46           HN       GLY  46   9.504  12.716   1.039
  387    HA2  GLY  46           HA2      GLY  46   9.009  14.637  -1.077
  388    HA3  GLY  46           HA1      GLY  46   8.301  13.051  -1.337
  389    H    GLY  47           HN       GLY  47   8.583  14.020   1.929
  390    HA2  GLY  47           HA2      GLY  47   7.051  15.045   3.373
  391    HA3  GLY  47           HA1      GLY  47   5.957  15.258   2.013
  392    H    GLU  48           HN       GLU  48   4.872  14.446   4.339
  393    HA   GLU  48           HA       GLU  48   4.495  11.545   4.018
  394    HB2  GLU  48           HB2      GLU  48   3.536  11.702   6.377
  395    HB3  GLU  48           HB1      GLU  48   5.271  11.920   6.208
  396    HG2  GLU  48           HG2      GLU  48   5.091  14.272   6.493
  397    HG3  GLU  48           HG1      GLU  48   3.335  14.213   6.354
  398    H    GLU  49           HN       GLU  49   2.997  14.555   3.610
  399    HA   GLU  49           HA       GLU  49   0.304  13.892   4.164
  400    HB2  GLU  49           HB2      GLU  49   1.382  16.214   3.773
  401    HB3  GLU  49           HB1      GLU  49   1.106  15.887   2.070
  402    HG2  GLU  49           HG2      GLU  49  -0.691  17.218   3.000
  403    HG3  GLU  49           HG1      GLU  49  -1.278  15.631   2.500
  404    H    VAL  50           HN       VAL  50   2.221  13.796   1.191
  405    HA   VAL  50           HA       VAL  50   0.108  13.001  -0.504
  406    HB   VAL  50           HB       VAL  50   1.889  12.259  -2.077
  407   HG11  VAL  50          HG11      VAL  50   2.897  14.505  -2.377
  408   HG12  VAL  50          HG12      VAL  50   2.221  14.977  -0.818
  409   HG13  VAL  50          HG13      VAL  50   1.148  14.544  -2.149
  410   HG21  VAL  50          HG21      VAL  50   4.246  12.743  -1.476
  411   HG22  VAL  50          HG22      VAL  50   3.543  11.434  -0.527
  412   HG23  VAL  50          HG23      VAL  50   3.731  13.036   0.185
  413    H    LEU  51           HN       LEU  51   2.021  11.257   1.767
  414    HA   LEU  51           HA       LEU  51   1.451   8.672   0.590
  415    HB2  LEU  51           HB2      LEU  51   2.714   9.324   3.251
  416    HB3  LEU  51           HB1      LEU  51   2.714   7.765   2.451
  417    HG   LEU  51           HG       LEU  51   4.085  10.240   1.395
  418   HD11  LEU  51          HD11      LEU  51   5.205   7.816   2.787
  419   HD12  LEU  51          HD12      LEU  51   5.159   9.460   3.417
  420   HD13  LEU  51          HD13      LEU  51   6.159   9.082   2.016
  421   HD21  LEU  51          HD21      LEU  51   4.185   7.369   0.471
  422   HD22  LEU  51          HD22      LEU  51   5.139   8.701  -0.182
  423   HD23  LEU  51          HD23      LEU  51   3.385   8.700  -0.367
  424    H    ARG  52           HN       ARG  52   0.380  10.607   3.344
  425    HA   ARG  52           HA       ARG  52  -1.196   8.538   4.493
  426    HB2  ARG  52           HB2      ARG  52  -2.012  10.171   6.019
  427    HB3  ARG  52           HB1      ARG  52  -0.321  10.542   5.727
  428    HG2  ARG  52           HG2      ARG  52  -1.038  12.634   5.444
  429    HG3  ARG  52           HG1      ARG  52  -1.557  12.084   3.851
  430    HD2  ARG  52           HD2      ARG  52  -3.355  13.275   4.965
  431    HD3  ARG  52           HD1      ARG  52  -3.779  11.579   4.754
  432    HE   ARG  52           HE       ARG  52  -3.771  11.301   7.037
  433   HH11  ARG  52          HH11      ARG  52  -2.457  14.482   6.194
  434   HH12  ARG  52          HH12      ARG  52  -2.437  15.033   7.918
  435   HH21  ARG  52          HH21      ARG  52  -3.795  12.002   9.204
  436   HH22  ARG  52          HH22      ARG  52  -3.182  13.655   9.592
  437    H    GLU  53           HN       GLU  53  -1.793  10.824   1.942
  438    HA   GLU  53           HA       GLU  53  -4.662  10.532   2.088
  439    HB2  GLU  53           HB2      GLU  53  -4.661  11.859  -0.019
  440    HB3  GLU  53           HB1      GLU  53  -3.816  12.644   1.306
  441    HG2  GLU  53           HG2      GLU  53  -1.786  12.463   0.309
  442    HG3  GLU  53           HG1      GLU  53  -2.220  10.994  -0.565
  443    H    GLN  54           HN       GLN  54  -2.032   9.263   0.118
  444    HA   GLN  54           HA       GLN  54  -3.802   7.827  -1.645
  445    HB2  GLN  54           HB2      GLN  54  -0.806   7.871  -1.317
  446    HB3  GLN  54           HB1      GLN  54  -1.622   6.815  -2.462
  447    HG2  GLN  54           HG2      GLN  54  -1.697   9.828  -2.443
  448    HG3  GLN  54           HG1      GLN  54  -0.807   8.806  -3.568
  449   HE21  GLN  54          HE21      GLN  54  -3.801  10.241  -2.797
  450   HE22  GLN  54          HE22      GLN  54  -4.703   9.638  -4.144
  451    H    ALA  55           HN       ALA  55  -2.614   7.310   1.439
  452    HA   ALA  55           HA       ALA  55  -2.055   4.584   1.525
  453    HB1  ALA  55           HB1      ALA  55  -3.362   6.250   3.667
  454    HB2  ALA  55           HB2      ALA  55  -1.626   6.138   3.374
  455    HB3  ALA  55           HB3      ALA  55  -2.526   4.715   3.896
  456    H    GLY  56           HN       GLY  56  -3.264   2.763   1.752
  457    HA2  GLY  56           HA2      GLY  56  -5.179   1.468   2.041
  458    HA3  GLY  56           HA1      GLY  56  -6.135   2.937   2.137
  459    H    GLY  57           HN       GLY  57  -4.401   3.509  -0.503
  460    HA2  GLY  57           HA2      GLY  57  -6.139   1.946  -2.290
  461    HA3  GLY  57           HA1      GLY  57  -6.032   3.691  -2.463
  462    H    ASP  58           HN       ASP  58  -5.477   2.394  -4.643
  463    HA   ASP  58           HA       ASP  58  -2.662   1.753  -4.827
  464    HB2  ASP  58           HB2      ASP  58  -4.363   0.508  -6.148
  465    HB3  ASP  58           HB1      ASP  58  -4.745   1.991  -7.015
  466    H    ALA  59           HN       ALA  59  -1.098   3.121  -5.375
  467    HA   ALA  59           HA       ALA  59  -1.865   5.722  -6.537
  468    HB1  ALA  59           HB1      ALA  59  -1.167   5.837  -4.141
  469    HB2  ALA  59           HB2      ALA  59  -0.187   6.812  -5.235
  470    HB3  ALA  59           HB3      ALA  59   0.426   5.271  -4.637
  471    H    THR  60           HN       THR  60  -0.999   3.218  -7.839
  472    HA   THR  60           HA       THR  60   1.696   3.326  -8.621
  473    HB   THR  60           HB       THR  60  -0.566   2.329 -10.352
  474    HG1  THR  60           HG1      THR  60  -0.930   1.270  -8.487
  475   HG21  THR  60          HG21      THR  60   2.303   1.423 -10.047
  476   HG22  THR  60          HG22      THR  60   1.665   2.371 -11.389
  477   HG23  THR  60          HG23      THR  60   1.103   0.721 -11.130
  478    H    GLU  61           HN       GLU  61  -1.143   4.996  -9.785
  479    HA   GLU  61           HA       GLU  61  -0.216   5.967 -12.223
  480    HB2  GLU  61           HB2      GLU  61  -1.797   7.980 -11.528
  481    HB3  GLU  61           HB1      GLU  61  -2.447   6.408 -11.973
  482    HG2  GLU  61           HG2      GLU  61  -2.730   5.810  -9.669
  483    HG3  GLU  61           HG1      GLU  61  -1.912   7.279  -9.144
  484    H    ASN  62           HN       ASN  62   0.267   7.176  -8.952
  485    HA   ASN  62           HA       ASN  62   1.658   9.550  -9.824
  486    HB2  ASN  62           HB2      ASN  62   0.278   9.129  -7.616
  487    HB3  ASN  62           HB1      ASN  62   1.808   8.495  -7.022
  488   HD21  ASN  62          HD21      ASN  62  -0.020  11.279  -7.735
  489   HD22  ASN  62          HD22      ASN  62   1.174  12.460  -7.312
  490    H    PHE  63           HN       PHE  63   2.455   6.402  -8.491
  491    HA   PHE  63           HA       PHE  63   5.164   6.708  -7.981
  492    HB2  PHE  63           HB2      PHE  63   3.698   4.751  -7.390
  493    HB3  PHE  63           HB1      PHE  63   3.839   4.213  -9.058
  494    HD1  PHE  63           HD2      PHE  63   5.553   4.613  -5.867
  495    HD2  PHE  63           HD1      PHE  63   5.891   3.251  -9.880
  496    HE1  PHE  63           HE2      PHE  63   7.592   3.382  -5.268
  497    HE2  PHE  63           HE1      PHE  63   7.931   2.007  -9.289
  498    HZ   PHE  63           HZ       PHE  63   8.786   2.073  -6.980
  499    H    GLU  64           HN       GLU  64   3.592   5.596 -10.974
  500    HA   GLU  64           HA       GLU  64   6.042   5.329 -12.411
  501    HB2  GLU  64           HB2      GLU  64   4.578   5.015 -14.381
  502    HB3  GLU  64           HB1      GLU  64   4.116   3.994 -13.027
  503    HG2  GLU  64           HG2      GLU  64   2.350   5.631 -12.458
  504    HG3  GLU  64           HG1      GLU  64   2.774   6.537 -13.907
  505    H    ASP  65           HN       ASP  65   3.801   7.922 -11.880
  506    HA   ASP  65           HA       ASP  65   4.566   9.537 -14.094
  507    HB2  ASP  65           HB2      ASP  65   2.423   9.848 -12.948
  508    HB3  ASP  65           HB1      ASP  65   3.267  10.314 -11.474
  509    H    VAL  66           HN       VAL  66   5.468   9.511 -10.667
  510    HA   VAL  66           HA       VAL  66   7.277  11.681 -10.820
  511    HB   VAL  66           HB       VAL  66   7.118   9.400  -8.845
  512   HG11  VAL  66          HG11      VAL  66   9.380  10.458  -8.937
  513   HG12  VAL  66          HG12      VAL  66   8.556  10.664  -7.392
  514   HG13  VAL  66          HG13      VAL  66   8.620  12.000  -8.541
  515   HG21  VAL  66          HG21      VAL  66   5.149  10.886  -8.948
  516   HG22  VAL  66          HG22      VAL  66   6.200  12.266  -8.626
  517   HG23  VAL  66          HG23      VAL  66   6.003  11.002  -7.410
  518    H    GLY  67           HN       GLY  67   7.782   8.165 -10.873
  519    HA2  GLY  67           HA2      GLY  67   9.409   7.026 -12.124
  520    HA3  GLY  67           HA1      GLY  67  10.195   8.564 -12.455
  521    H    HIS  68           HN       HIS  68   9.801   5.979 -10.140
  522    HA   HIS  68           HA       HIS  68  11.704   7.079  -8.281
  523    HB2  HIS  68           HB2      HIS  68  10.235   4.460  -8.484
  524    HB3  HIS  68           HB1      HIS  68  11.527   4.682  -7.310
  525    HD1  HIS  68           HD1      HIS  68   8.486   6.822  -8.260
  526    HD2  HIS  68           HD2      HIS  68  10.415   5.229  -4.937
  527    HE1  HIS  68           HE1      HIS  68   7.201   7.625  -6.241
  528    H    SER  69           HN       SER  69  13.832   6.403  -7.969
  529    HA   SER  69           HA       SER  69  15.249   5.632 -10.276
  530    HB2  SER  69           HB2      SER  69  16.245   5.517  -7.426
  531    HB3  SER  69           HB1      SER  69  17.208   5.707  -8.892
  532    HG   SER  69           HG       SER  69  15.717   7.573  -7.475
  533    H    THR  70           HN       THR  70  16.633   3.759 -10.546
  534    HA   THR  70           HA       THR  70  15.288   1.341 -10.404
  535    HB   THR  70           HB       THR  70  18.205   1.094 -10.414
  536    HG1  THR  70           HG1      THR  70  16.932   2.704 -12.400
  537   HG21  THR  70          HG21      THR  70  16.029   0.473 -12.414
  538   HG22  THR  70          HG22      THR  70  16.752  -0.655 -11.267
  539   HG23  THR  70          HG23      THR  70  17.721   0.007 -12.584
  540    H    ASP  71           HN       ASP  71  17.757   2.655  -8.210
  541    HA   ASP  71           HA       ASP  71  17.950   0.310  -6.612
  542    HB2  ASP  71           HB2      ASP  71  19.746   1.947  -6.616
  543    HB3  ASP  71           HB1      ASP  71  18.664   3.179  -5.974
  544    H    ALA  72           HN       ALA  72  15.943   3.171  -6.504
  545    HA   ALA  72           HA       ALA  72  14.901   2.868  -3.909
  546    HB1  ALA  72           HB1      ALA  72  13.672   4.202  -6.316
  547    HB2  ALA  72           HB2      ALA  72  14.724   4.964  -5.119
  548    HB3  ALA  72           HB3      ALA  72  13.122   4.388  -4.649
  549    H    ARG  73           HN       ARG  73  13.657   1.775  -7.067
  550    HA   ARG  73           HA       ARG  73  11.315   0.611  -5.971
  551    HB2  ARG  73           HB2      ARG  73  11.096  -0.528  -8.170
  552    HB3  ARG  73           HB1      ARG  73  11.306   1.211  -8.284
  553    HG2  ARG  73           HG2      ARG  73  12.812   0.704  -9.856
  554    HG3  ARG  73           HG1      ARG  73  13.877   0.351  -8.495
  555    HD2  ARG  73           HD2      ARG  73  13.980  -1.495 -10.005
  556    HD3  ARG  73           HD1      ARG  73  13.086  -2.011  -8.577
  557    HE   ARG  73           HE       ARG  73  11.558  -1.091 -10.895
  558   HH11  ARG  73          HH11      ARG  73  12.726  -3.757  -8.886
  559   HH12  ARG  73          HH12      ARG  73  11.483  -4.905  -9.528
  560   HH21  ARG  73          HH21      ARG  73  10.007  -2.542 -11.727
  561   HH22  ARG  73          HH22      ARG  73   9.978  -4.230 -11.096
  562    H    GLU  74           HN       GLU  74  14.560  -0.444  -6.010
  563    HA   GLU  74           HA       GLU  74  13.873  -3.253  -5.736
  564    HB2  GLU  74           HB2      GLU  74  16.503  -1.775  -5.643
  565    HB3  GLU  74           HB1      GLU  74  16.367  -3.502  -5.334
  566    HG2  GLU  74           HG2      GLU  74  15.686  -2.052  -7.882
  567    HG3  GLU  74           HG1      GLU  74  17.040  -3.145  -7.607
  568    H    LEU  75           HN       LEU  75  14.304  -0.508  -3.775
  569    HA   LEU  75           HA       LEU  75  14.965  -1.923  -1.351
  570    HB2  LEU  75           HB2      LEU  75  15.653   0.428  -1.763
  571    HB3  LEU  75           HB1      LEU  75  13.966   0.907  -1.740
  572    HG   LEU  75           HG       LEU  75  13.839   0.099   0.631
  573   HD11  LEU  75          HD11      LEU  75  16.027  -0.122   1.815
  574   HD12  LEU  75          HD12      LEU  75  16.811  -0.204   0.239
  575   HD13  LEU  75          HD13      LEU  75  15.655  -1.445   0.710
  576   HD21  LEU  75          HD21      LEU  75  15.011   2.032   1.564
  577   HD22  LEU  75          HD22      LEU  75  14.113   2.458   0.108
  578   HD23  LEU  75          HD23      LEU  75  15.863   2.255   0.037
  579    H    SER  76           HN       SER  76  12.129  -0.951  -3.061
  580    HA   SER  76           HA       SER  76  10.270  -1.047  -0.935
  581    HB2  SER  76           HB2      SER  76   9.372  -1.758  -3.678
  582    HB3  SER  76           HB1      SER  76   8.700  -0.594  -2.535
  583    HG   SER  76           HG       SER  76  10.105   0.903  -3.200
  584    H    LYS  77           HN       LYS  77  11.970  -3.503  -2.567
  585    HA   LYS  77           HA       LYS  77  10.054  -5.590  -2.413
  586    HB2  LYS  77           HB2      LYS  77  12.198  -5.523  -3.809
  587    HB3  LYS  77           HB1      LYS  77  13.041  -5.983  -2.336
  588    HG2  LYS  77           HG2      LYS  77  11.582  -7.988  -2.203
  589    HG3  LYS  77           HG1      LYS  77  10.912  -7.554  -3.776
  590    HD2  LYS  77           HD2      LYS  77  12.985  -7.883  -4.852
  591    HD3  LYS  77           HD1      LYS  77  13.857  -7.925  -3.320
  592    HE2  LYS  77           HE2      LYS  77  12.586  -9.997  -2.740
  593    HE3  LYS  77           HE1      LYS  77  11.927  -9.985  -4.374
  594    HZ1  LYS  77           HZ1      LYS  77  13.864 -11.449  -4.103
  595    HZ2  LYS  77           HZ2      LYS  77  14.821 -10.103  -3.734
  596    HZ3  LYS  77           HZ3      LYS  77  14.117 -10.246  -5.266
  597    H    THR  78           HN       THR  78  11.875  -3.996  -0.029
  598    HA   THR  78           HA       THR  78  11.720  -6.249   1.822
  599    HB   THR  78           HB       THR  78  12.834  -3.499   2.386
  600    HG1  THR  78           HG1      THR  78  14.847  -5.045   1.934
  601   HG21  THR  78          HG21      THR  78  12.517  -4.835   4.373
  602   HG22  THR  78          HG22      THR  78  14.241  -4.772   4.001
  603   HG23  THR  78          HG23      THR  78  13.307  -6.220   3.618
  604    H    PHE  79           HN       PHE  79   9.855  -3.629   0.839
  605    HA   PHE  79           HA       PHE  79   8.557  -3.376   3.457
  606    HB2  PHE  79           HB2      PHE  79   8.412  -1.614   1.008
  607    HB3  PHE  79           HB1      PHE  79   7.439  -1.369   2.455
  608    HD1  PHE  79           HD2      PHE  79   9.050  -1.532   4.692
  609    HD2  PHE  79           HD1      PHE  79  10.183  -0.179   0.818
  610    HE1  PHE  79           HE2      PHE  79  10.871  -0.209   5.690
  611    HE2  PHE  79           HE1      PHE  79  12.001   1.144   1.805
  612    HZ   PHE  79           HZ       PHE  79  12.349   1.134   4.241
  613    H    ILE  80           HN       ILE  80   8.201  -5.103   0.651
  614    HA   ILE  80           HA       ILE  80   5.306  -4.951   0.565
  615    HB   ILE  80           HB       ILE  80   6.346  -5.181  -1.576
  616   HG12  ILE  80          HG12      ILE  80   5.140  -7.850  -0.837
  617   HG13  ILE  80          HG11      ILE  80   4.214  -6.400  -1.201
  618   HG21  ILE  80          HG21      ILE  80   8.458  -6.157  -0.922
  619   HG22  ILE  80          HG22      ILE  80   7.712  -7.118  -2.200
  620   HG23  ILE  80          HG23      ILE  80   7.657  -7.680  -0.529
  621   HD11  ILE  80          HD11      ILE  80   5.119  -6.391  -3.468
  622   HD12  ILE  80          HD12      ILE  80   4.287  -7.904  -3.106
  623   HD13  ILE  80          HD13      ILE  80   6.050  -7.844  -3.102
  624    H    ILE  81           HN       ILE  81   4.059  -6.106   1.849
  625    HA   ILE  81           HA       ILE  81   5.178  -8.533   3.065
  626    HB   ILE  81           HB       ILE  81   3.605  -8.311   4.860
  627   HG12  ILE  81          HG12      ILE  81   1.824  -7.215   3.287
  628   HG13  ILE  81          HG11      ILE  81   1.838  -6.805   4.995
  629   HG21  ILE  81          HG21      ILE  81   4.976  -5.694   4.279
  630   HG22  ILE  81          HG22      ILE  81   5.677  -7.095   5.089
  631   HG23  ILE  81          HG23      ILE  81   4.366  -6.197   5.855
  632   HD11  ILE  81          HD11      ILE  81   3.016  -4.731   4.493
  633   HD12  ILE  81          HD12      ILE  81   1.493  -4.842   3.612
  634   HD13  ILE  81          HD13      ILE  81   3.018  -5.140   2.780
  635    H    GLY  82           HN       GLY  82   2.912  -7.466   0.791
  636    HA2  GLY  82           HA2      GLY  82   2.065 -10.086   0.176
  637    HA3  GLY  82           HA1      GLY  82   0.809  -9.271   1.092
  638    H    GLU  83           HN       GLU  83  -0.184  -9.892  -1.097
  639    HA   GLU  83           HA       GLU  83   0.075  -7.568  -2.879
  640    HB2  GLU  83           HB2      GLU  83  -0.364 -10.458  -3.634
  641    HB3  GLU  83           HB1      GLU  83  -0.612  -9.118  -4.743
  642    HG2  GLU  83           HG2      GLU  83   1.783  -8.484  -4.326
  643    HG3  GLU  83           HG1      GLU  83   1.955 -10.027  -3.491
  644    H    LEU  84           HN       LEU  84  -1.965  -7.436  -4.333
  645    HA   LEU  84           HA       LEU  84  -4.239  -7.369  -2.558
  646    HB2  LEU  84           HB2      LEU  84  -3.407  -5.739  -4.542
  647    HB3  LEU  84           HB1      LEU  84  -4.556  -6.722  -5.430
  648    HG   LEU  84           HG       LEU  84  -5.326  -4.481  -4.336
  649   HD11  LEU  84          HD11      LEU  84  -7.576  -5.439  -3.966
  650   HD12  LEU  84          HD12      LEU  84  -6.876  -7.051  -4.100
  651   HD13  LEU  84          HD13      LEU  84  -6.840  -5.959  -5.482
  652   HD21  LEU  84          HD21      LEU  84  -4.398  -5.246  -2.077
  653   HD22  LEU  84          HD22      LEU  84  -5.816  -6.294  -1.993
  654   HD23  LEU  84          HD23      LEU  84  -6.016  -4.547  -2.101
  655    H    HIS  85           HN       HIS  85  -6.107  -8.507  -2.767
  656    HA   HIS  85           HA       HIS  85  -6.111 -11.146  -3.500
  657    HB2  HIS  85           HB2      HIS  85  -7.807  -9.680  -2.161
  658    HB3  HIS  85           HB1      HIS  85  -8.608  -9.497  -3.714
  659    HD1  HIS  85           HD1      HIS  85 -10.573 -10.941  -3.700
  660    HD2  HIS  85           HD2      HIS  85  -7.284 -12.780  -1.927
  661    HE1  HIS  85           HE1      HIS  85 -11.326 -13.273  -3.098
  662    HE2  HIS  85           HE2      HIS  85  -9.392 -14.267  -1.826
  663    HA   PRO  86           HA       PRO  86  -6.017 -11.061  -7.975
  664    HB2  PRO  86           HB2      PRO  86  -7.002 -13.612  -8.366
  665    HB3  PRO  86           HB1      PRO  86  -5.308 -13.232  -8.017
  666    HG2  PRO  86           HG2      PRO  86  -7.441 -14.168  -6.161
  667    HG3  PRO  86           HG1      PRO  86  -5.727 -14.620  -6.225
  668    HD2  PRO  86           HD2      PRO  86  -6.642 -12.901  -4.388
  669    HD3  PRO  86           HD1      PRO  86  -5.037 -12.703  -5.125
  670    H    ASP  87           HN       ASP  87  -8.870 -12.336  -6.305
  671    HA   ASP  87           HA       ASP  87 -10.634 -12.007  -8.513
  672    HB2  ASP  87           HB2      ASP  87 -11.277 -12.253  -5.562
  673    HB3  ASP  87           HB1      ASP  87 -12.421 -12.451  -6.884
  674    H    ASP  88           HN       ASP  88  -9.146  -9.788  -6.554
  675    HA   ASP  88           HA       ASP  88 -11.325  -7.828  -6.804
  676    HB2  ASP  88           HB2      ASP  88  -8.918  -7.887  -4.969
  677    HB3  ASP  88           HB1      ASP  88  -9.996  -6.504  -5.117
  678    H    ARG  89           HN       ARG  89  -8.896  -8.859  -8.564
  679    HA   ARG  89           HA       ARG  89  -7.810  -6.217  -9.230
  680    HB2  ARG  89           HB2      ARG  89  -6.911  -8.975 -10.062
  681    HB3  ARG  89           HB1      ARG  89  -6.167  -7.481 -10.610
  682    HG2  ARG  89           HG2      ARG  89  -5.668  -6.960  -8.213
  683    HG3  ARG  89           HG1      ARG  89  -6.220  -8.588  -7.814
  684    HD2  ARG  89           HD2      ARG  89  -4.532  -9.324  -9.648
  685    HD3  ARG  89           HD1      ARG  89  -3.824  -7.734  -9.379
  686    HE   ARG  89           HE       ARG  89  -4.240  -9.229  -6.963
  687   HH11  ARG  89          HH11      ARG  89  -2.052  -8.567  -9.642
  688   HH12  ARG  89          HH12      ARG  89  -0.603  -9.169  -8.754
  689   HH21  ARG  89          HH21      ARG  89  -2.439  -9.993  -5.811
  690   HH22  ARG  89          HH22      ARG  89  -0.814  -9.994  -6.611
  691    H    SER  90           HN       SER  90  -8.577  -9.114 -11.156
  692    HA   SER  90           HA       SER  90  -9.877  -7.341 -13.116
  693    HB2  SER  90           HB2      SER  90  -8.755 -10.118 -13.571
  694    HB3  SER  90           HB1      SER  90  -9.373  -9.020 -14.800
  695    HG   SER  90           HG       SER  90  -7.406  -8.328 -14.920
  696    H    LYS  91           HN       LYS  91 -11.704  -7.521 -11.500
  697    HA   LYS  91           HA       LYS  91 -13.681  -9.283 -12.504
  698    HB2  LYS  91           HB2      LYS  91 -12.262 -10.796 -10.992
  699    HB3  LYS  91           HB1      LYS  91 -12.913  -9.874  -9.645
  700    HG2  LYS  91           HG2      LYS  91 -15.195 -10.497 -10.413
  701    HG3  LYS  91           HG1      LYS  91 -14.445 -11.543 -11.618
  702    HD2  LYS  91           HD2      LYS  91 -14.025 -11.757  -8.638
  703    HD3  LYS  91           HD1      LYS  91 -15.129 -12.761  -9.581
  704    HE2  LYS  91           HE2      LYS  91 -12.156 -12.574 -10.046
  705    HE3  LYS  91           HE1      LYS  91 -12.939 -13.843  -9.110
  706    HZ1  LYS  91           HZ1      LYS  91 -12.516 -14.585 -11.342
  707    HZ2  LYS  91           HZ2      LYS  91 -13.364 -13.276 -11.992
  708    HZ3  LYS  91           HZ3      LYS  91 -14.185 -14.458 -11.107
  709    H    LEU  92           HN       LEU  92 -13.090  -8.096  -9.210
  710    HA   LEU  92           HA       LEU  92 -14.124  -6.580  -7.890
  711    HB2  LEU  92           HB2      LEU  92 -13.928  -5.348 -10.454
  712    HB3  LEU  92           HB1      LEU  92 -15.463  -4.890  -9.742
  713    HG   LEU  92           HG       LEU  92 -13.686  -3.261  -9.257
  714   HD11  LEU  92          HD11      LEU  92 -14.054  -3.081  -6.871
  715   HD12  LEU  92          HD12      LEU  92 -14.599  -4.755  -6.806
  716   HD13  LEU  92          HD13      LEU  92 -15.542  -3.554  -7.686
  717   HD21  LEU  92          HD21      LEU  92 -12.376  -5.548  -7.797
  718   HD22  LEU  92          HD22      LEU  92 -11.877  -3.860  -7.711
  719   HD23  LEU  92          HD23      LEU  92 -11.768  -4.735  -9.236
  720    H    SER  93           HN       SER  93 -15.657  -8.918  -9.115
  721    HA   SER  93           HA       SER  93 -18.380  -8.003  -9.168
  722    HB2  SER  93           HB2      SER  93 -17.524 -10.883  -8.927
  723    HB3  SER  93           HB1      SER  93 -18.959 -10.221  -9.712
  724    HG   SER  93           HG       SER  93 -17.662 -10.579 -11.390
  725    H    LYS  94           HN       LYS  94 -17.774  -6.999  -6.943
  726    HA   LYS  94           HA       LYS  94 -18.847  -8.786  -4.866
  727    HB2  LYS  94           HB2      LYS  94 -16.524  -6.868  -4.540
  728    HB3  LYS  94           HB1      LYS  94 -17.315  -7.712  -3.218
  729    HG2  LYS  94           HG2      LYS  94 -16.470  -9.792  -3.892
  730    HG3  LYS  94           HG1      LYS  94 -16.043  -9.195  -5.497
  731    HD2  LYS  94           HD2      LYS  94 -14.016  -9.397  -4.233
  732    HD3  LYS  94           HD1      LYS  94 -14.380  -7.678  -4.399
  733    HE2  LYS  94           HE2      LYS  94 -15.629  -8.120  -2.096
  734    HE3  LYS  94           HE1      LYS  94 -14.442  -9.420  -1.995
  735    HZ1  LYS  94           HZ1      LYS  94 -13.439  -7.580  -0.981
  736    HZ2  LYS  94           HZ2      LYS  94 -13.955  -6.513  -2.187
  737    HZ3  LYS  94           HZ3      LYS  94 -12.735  -7.637  -2.528
  738    HA   PRO  95           HA       PRO  95 -21.567  -5.349  -4.182
  739    HB2  PRO  95           HB2      PRO  95 -22.376  -5.845  -1.653
  740    HB3  PRO  95           HB1      PRO  95 -22.891  -6.843  -3.019
  741    HG2  PRO  95           HG2      PRO  95 -20.727  -7.370  -1.029
  742    HG3  PRO  95           HG1      PRO  95 -21.963  -8.477  -1.658
  743    HD2  PRO  95           HD2      PRO  95 -19.430  -8.467  -2.594
  744    HD3  PRO  95           HD1      PRO  95 -20.825  -8.852  -3.621
  745    H    MET  96           HN       MET  96 -21.853  -3.436  -2.791
  746    HA   MET  96           HA       MET  96 -19.409  -2.777  -1.286
  747    HB2  MET  96           HB2      MET  96 -19.342  -1.619  -3.417
  748    HB3  MET  96           HB1      MET  96 -20.959  -0.984  -3.163
  749    HG2  MET  96           HG2      MET  96 -20.165   0.336  -1.285
  750    HG3  MET  96           HG1      MET  96 -18.544  -0.329  -1.489
  751    HE1  MET  96           HE1      MET  96 -21.402   1.711  -3.242
  752    HE2  MET  96           HE2      MET  96 -20.912   0.610  -4.531
  753    HE3  MET  96           HE3      MET  96 -20.580   2.336  -4.672
  754    H    GLU  97           HN       GLU  97 -22.494  -1.107  -1.879
  755    HA   GLU  97           HA       GLU  97 -24.075  -0.250  -0.515
  756    HB2  GLU  97           HB2      GLU  97 -24.340  -2.531   0.324
  757    HB3  GLU  97           HB1      GLU  97 -23.057  -2.259   1.494
  758    HG2  GLU  97           HG2      GLU  97 -24.435  -0.439   2.486
  759    HG3  GLU  97           HG1      GLU  97 -25.743  -0.910   1.402
  760    H    THR  98           HN       THR  98 -23.517   1.822  -0.175
  761    HA   THR  98           HA       THR  98 -22.341   2.489   2.369
  762    HB   THR  98           HB       THR  98 -20.350   2.150   0.901
  763    HG1  THR  98           HG1      THR  98 -19.494   4.354   1.345
  764   HG21  THR  98          HG21      THR  98 -21.513   4.483  -0.624
  765   HG22  THR  98          HG22      THR  98 -21.265   2.846  -1.231
  766   HG23  THR  98          HG23      THR  98 -19.876   3.856  -0.827
  767    H    LEU  99           HN       LEU  99 -22.295   4.855   2.723
  768    HA   LEU  99           HA       LEU  99 -23.319   6.868   2.853
  769    HB2  LEU  99           HB2      LEU  99 -23.831   6.435  -0.088
  770    HB3  LEU  99           HB1      LEU  99 -23.984   7.963   0.759
  771    HG   LEU  99           HG       LEU  99 -21.421   6.412   0.369
  772   HD11  LEU  99          HD11      LEU  99 -22.307   7.495  -1.668
  773   HD12  LEU  99          HD12      LEU  99 -20.780   8.188  -1.124
  774   HD13  LEU  99          HD13      LEU  99 -22.294   9.038  -0.818
  775   HD21  LEU  99          HD21      LEU  99 -21.321   7.560   2.461
  776   HD22  LEU  99          HD22      LEU  99 -21.979   9.029   1.743
  777   HD23  LEU  99          HD23      LEU  99 -20.367   8.472   1.292
  778    H    ILE 100           HN       ILE 100 -24.865   4.660   3.593
  779    HA   ILE 100           HA       ILE 100 -27.555   5.316   2.616
  780    HB   ILE 100           HB       ILE 100 -28.211   3.208   3.888
  781   HG12  ILE 100          HG12      ILE 100 -25.218   2.753   3.787
  782   HG13  ILE 100          HG11      ILE 100 -26.134   3.092   5.252
  783   HG21  ILE 100          HG21      ILE 100 -26.336   2.990   1.537
  784   HG22  ILE 100          HG22      ILE 100 -28.070   3.308   1.467
  785   HG23  ILE 100          HG23      ILE 100 -27.481   1.754   2.054
  786   HD11  ILE 100          HD11      ILE 100 -25.616   0.716   4.983
  787   HD12  ILE 100          HD12      ILE 100 -26.532   0.693   3.478
  788   HD13  ILE 100          HD13      ILE 100 -27.351   1.021   5.004
  789    H    THR 101           HN       THR 101 -25.640   6.419   4.933
  790    HA   THR 101           HA       THR 101 -27.902   6.919   6.731
  791    HB   THR 101           HB       THR 101 -25.151   6.298   7.801
  792    HG1  THR 101           HG1      THR 101 -27.329   4.587   7.227
  793   HG21  THR 101          HG21      THR 101 -26.282   6.087   9.921
  794   HG22  THR 101          HG22      THR 101 -27.852   6.313   9.148
  795   HG23  THR 101          HG23      THR 101 -26.695   7.645   9.208
  796    H    THR 102           HN       THR 102 -28.096   9.021   7.255
  797    HA   THR 102           HA       THR 102 -26.314  10.967   6.191
  798    HB   THR 102           HB       THR 102 -28.253  11.733   8.316
  799    HG1  THR 102           HG1      THR 102 -30.009  11.385   6.938
  800   HG21  THR 102          HG21      THR 102 -27.107  13.476   7.127
  801   HG22  THR 102          HG22      THR 102 -28.792  13.478   6.606
  802   HG23  THR 102          HG23      THR 102 -27.549  12.774   5.572
  803    H    VAL 103           HN       VAL 103 -24.321  11.094   7.046
  804    HA   VAL 103           HA       VAL 103 -23.934  10.858   9.922
  805    HB   VAL 103           HB       VAL 103 -21.517  11.002   9.395
  806   HG11  VAL 103          HG11      VAL 103 -23.050   8.976   7.777
  807   HG12  VAL 103          HG12      VAL 103 -22.629   8.845   9.485
  808   HG13  VAL 103          HG13      VAL 103 -21.358   8.841   8.259
  809   HG21  VAL 103          HG21      VAL 103 -20.750  10.971   7.090
  810   HG22  VAL 103          HG22      VAL 103 -21.690  12.433   7.404
  811   HG23  VAL 103          HG23      VAL 103 -22.415  11.092   6.517
  812    H    ASP 104           HN       ASP 104 -24.671  13.285   7.803
  813    HA   ASP 104           HA       ASP 104 -23.006  15.403   8.690
  814    HB2  ASP 104           HB2      ASP 104 -25.793  15.709   7.569
  815    HB3  ASP 104           HB1      ASP 104 -24.462  16.859   7.477
  816    HHB  HEM 400           HB       HEM 400  11.352   4.717  -1.417
  817    HHC  HEM 400           HC       HEM 400   5.109   5.085  -2.346
  818    HHD  HEM 400           HD       HEM 400   5.824  10.876  -4.811
  819    HMA  HEM 400          HMA1      HEM 400  13.264   5.465  -0.887
  820   HMAA  HEM 400          HMA2      HEM 400  14.475   6.631  -1.343
  821   HMAB  HEM 400          HMA3      HEM 400  14.149   5.312  -2.440
  822    HAA  HEM 400          HAA1      HEM 400  14.494   9.221  -2.477
  823   HAAA  HEM 400          HAA2      HEM 400  13.984   9.402  -4.146
  824    HBA  HEM 400          HBA1      HEM 400  14.868   6.692  -3.680
  825   HBAA  HEM 400          HBA2      HEM 400  16.112   7.833  -3.180
  826    HMB  HEM 400          HMB1      HEM 400   9.278   1.885  -1.279
  827   HMBA  HEM 400          HMB2      HEM 400   9.290   2.723   0.278
  828   HMBB  HEM 400          HMB3      HEM 400  10.602   2.963  -0.880
  829    HAB  HEM 400           HAB      HEM 400   5.809   2.659  -1.999
  830    HBB  HEM 400          HBB1      HEM 400   7.046   2.675   0.870
  831   HBBA  HEM 400          HBB2      HEM 400   5.602   1.609   0.182
  832    HMC  HEM 400          HMC1      HEM 400   2.264   7.370  -3.292
  833   HMCA  HEM 400          HMC2      HEM 400   3.111   6.169  -2.312
  834   HMCB  HEM 400          HMC3      HEM 400   2.985   5.970  -4.062
  835    HAC  HEM 400           HAC      HEM 400   3.507   9.979  -5.359
  836    HBC  HEM 400          HBC1      HEM 400   2.204   9.462  -2.562
  837   HBCA  HEM 400          HBC2      HEM 400   1.546  10.530  -4.016
  838    HMD  HEM 400          HMD1      HEM 400   7.287  13.363  -4.714
  839   HMDA  HEM 400          HMD2      HEM 400   6.861  12.425  -6.148
  840   HMDB  HEM 400          HMD3      HEM 400   8.340  13.386  -6.116
  841    HAD  HEM 400          HAD1      HEM 400  10.321  13.426  -5.439
  842   HADA  HEM 400          HAD2      HEM 400  11.529  12.563  -4.502
  843    HBD  HEM 400          HBD1      HEM 400  10.962  11.287  -7.085
  844   HBDA  HEM 400          HBD2      HEM 400  12.509  11.715  -6.353
  845    HHA  HEM 400           HA       HEM 400  12.114  10.328  -4.232
  Start of MODEL    4
    1    H1   MET   1           HT1      MET   1  20.418 -14.352  16.558
    2    H2   MET   1           HT2      MET   1  21.610 -14.355  17.755
    3    H3   MET   1           HT3      MET   1  21.249 -12.928  16.925
    4    HA   MET   1           HA       MET   1  19.539 -14.383  18.838
    5    HB2  MET   1           HB2      MET   1  21.127 -11.873  18.897
    6    HB3  MET   1           HB1      MET   1  19.578 -11.864  19.723
    7    HG2  MET   1           HG2      MET   1  20.263 -13.730  21.096
    8    HG3  MET   1           HG1      MET   1  21.793 -13.834  20.225
    9    HE1  MET   1           HE1      MET   1  21.559 -13.567  23.483
   10    HE2  MET   1           HE2      MET   1  22.949 -12.504  23.707
   11    HE3  MET   1           HE3      MET   1  23.024 -13.818  22.534
   12    H    ALA   2           HN       ALA   2  19.552 -11.151  17.313
   13    HA   ALA   2           HA       ALA   2  16.733 -11.621  16.600
   14    HB1  ALA   2           HB1      ALA   2  17.012  -9.974  18.406
   15    HB2  ALA   2           HB2      ALA   2  16.317  -9.255  16.954
   16    HB3  ALA   2           HB3      ALA   2  18.018  -8.993  17.339
   17    H    ALA   3           HN       ALA   3  17.411 -12.431  14.534
   18    HA   ALA   3           HA       ALA   3  17.628 -10.338  12.565
   19    HB1  ALA   3           HB1      ALA   3  20.002 -10.737  13.191
   20    HB2  ALA   3           HB2      ALA   3  19.650 -11.102  11.501
   21    HB3  ALA   3           HB3      ALA   3  19.816 -12.412  12.671
   22    H    GLN   4           HN       GLN   4  15.881 -10.971  11.433
   23    HA   GLN   4           HA       GLN   4  15.961 -13.639  10.228
   24    HB2  GLN   4           HB2      GLN   4  13.523 -13.917  10.611
   25    HB3  GLN   4           HB1      GLN   4  14.466 -13.929  12.093
   26    HG2  GLN   4           HG2      GLN   4  13.757 -11.725  12.655
   27    HG3  GLN   4           HG1      GLN   4  13.018 -11.500  11.070
   28   HE21  GLN   4          HE21      GLN   4  11.006 -11.041  11.944
   29   HE22  GLN   4          HE22      GLN   4  10.015 -12.261  12.666
   30    H    SER   5           HN       SER   5  14.899 -13.799   8.226
   31    HA   SER   5           HA       SER   5  13.947 -11.278   7.059
   32    HB2  SER   5           HB2      SER   5  15.741 -13.137   5.508
   33    HB3  SER   5           HB1      SER   5  15.338 -11.452   5.165
   34    HG   SER   5           HG       SER   5  16.500 -10.941   7.145
   35    H    ASP   6           HN       ASP   6  11.908 -12.417   7.535
   36    HA   ASP   6           HA       ASP   6  11.276 -14.756   5.968
   37    HB2  ASP   6           HB2      ASP   6   9.691 -13.017   7.852
   38    HB3  ASP   6           HB1      ASP   6   8.929 -14.284   6.896
   39    H    LYS   7           HN       LYS   7  10.283 -14.819   4.064
   40    HA   LYS   7           HA       LYS   7   9.245 -12.294   2.971
   41    HB2  LYS   7           HB2      LYS   7  10.787 -14.485   1.569
   42    HB3  LYS   7           HB1      LYS   7   9.898 -13.232   0.711
   43    HG2  LYS   7           HG2      LYS   7  12.073 -12.650   2.706
   44    HG3  LYS   7           HG1      LYS   7  12.357 -12.820   0.972
   45    HD2  LYS   7           HD2      LYS   7  10.926 -10.944   0.501
   46    HD3  LYS   7           HD1      LYS   7  10.428 -10.844   2.190
   47    HE2  LYS   7           HE2      LYS   7  12.449  -9.973   2.878
   48    HE3  LYS   7           HE1      LYS   7  13.317 -10.634   1.493
   49    HZ1  LYS   7           HZ1      LYS   7  13.020  -8.202   1.400
   50    HZ2  LYS   7           HZ2      LYS   7  11.342  -8.425   1.324
   51    HZ3  LYS   7           HZ3      LYS   7  12.331  -9.002   0.078
   52    H    ASP   8           HN       ASP   8   7.209 -12.884   3.803
   53    HA   ASP   8           HA       ASP   8   5.881 -15.087   2.364
   54    HB2  ASP   8           HB2      ASP   8   6.046 -15.110   4.951
   55    HB3  ASP   8           HB1      ASP   8   4.837 -13.833   4.896
   56    H    VAL   9           HN       VAL   9   4.475 -14.465   0.862
   57    HA   VAL   9           HA       VAL   9   3.512 -11.703   0.918
   58    HB   VAL   9           HB       VAL   9   4.567 -12.219  -1.151
   59   HG11  VAL   9          HG11      VAL   9   2.795 -14.650  -1.329
   60   HG12  VAL   9          HG12      VAL   9   4.542 -14.627  -1.090
   61   HG13  VAL   9          HG13      VAL   9   3.854 -14.070  -2.614
   62   HG21  VAL   9          HG21      VAL   9   2.619 -10.852  -1.436
   63   HG22  VAL   9          HG22      VAL   9   1.572 -12.270  -1.489
   64   HG23  VAL   9          HG23      VAL   9   2.720 -11.971  -2.796
   65    H    LYS  10           HN       LYS  10   1.876 -11.855   2.416
   66    HA   LYS  10           HA       LYS  10  -0.198 -13.839   2.109
   67    HB2  LYS  10           HB2      LYS  10   0.452 -13.126   4.350
   68    HB3  LYS  10           HB1      LYS  10   0.007 -11.467   3.971
   69    HG2  LYS  10           HG2      LYS  10  -2.173 -11.837   4.314
   70    HG3  LYS  10           HG1      LYS  10  -2.126 -13.420   3.538
   71    HD2  LYS  10           HD2      LYS  10  -0.994 -12.916   6.278
   72    HD3  LYS  10           HD1      LYS  10  -2.673 -13.386   6.011
   73    HE2  LYS  10           HE2      LYS  10  -0.214 -14.954   5.236
   74    HE3  LYS  10           HE1      LYS  10  -1.349 -15.342   6.527
   75    HZ1  LYS  10           HZ1      LYS  10  -1.759 -15.503   3.605
   76    HZ2  LYS  10           HZ2      LYS  10  -3.077 -15.407   4.661
   77    HZ3  LYS  10           HZ3      LYS  10  -1.997 -16.702   4.777
   78    H    TYR  11           HN       TYR  11  -2.077 -13.603   1.078
   79    HA   TYR  11           HA       TYR  11  -2.488 -11.184  -0.458
   80    HB2  TYR  11           HB2      TYR  11  -3.622 -13.949  -0.491
   81    HB3  TYR  11           HB1      TYR  11  -4.531 -12.649  -1.255
   82    HD1  TYR  11           HD2      TYR  11  -1.193 -14.288  -1.231
   83    HD2  TYR  11           HD1      TYR  11  -3.991 -11.954  -3.419
   84    HE1  TYR  11           HE2      TYR  11   0.218 -14.485  -3.233
   85    HE2  TYR  11           HE1      TYR  11  -2.588 -12.146  -5.426
   86    HH   TYR  11           HH       TYR  11  -0.081 -12.536  -5.877
   87    H    TYR  12           HN       TYR  12  -3.643  -9.556   0.262
   88    HA   TYR  12           HA       TYR  12  -5.667 -10.027   2.348
   89    HB2  TYR  12           HB2      TYR  12  -4.251  -7.470   1.556
   90    HB3  TYR  12           HB1      TYR  12  -5.449  -7.609   2.833
   91    HD1  TYR  12           HD2      TYR  12  -4.839  -9.547   4.615
   92    HD2  TYR  12           HD1      TYR  12  -2.048  -7.429   2.204
   93    HE1  TYR  12           HE2      TYR  12  -3.059 -10.067   6.228
   94    HE2  TYR  12           HE1      TYR  12  -0.258  -7.940   3.812
   95    HH   TYR  12           HH       TYR  12  -0.506 -10.283   6.167
   96    H    THR  13           HN       THR  13  -7.688  -8.865   2.194
   97    HA   THR  13           HA       THR  13  -8.595  -8.686  -0.571
   98    HB   THR  13           HB       THR  13 -10.491  -8.152   1.652
   99    HG1  THR  13           HG1      THR  13  -9.364  -9.785   2.655
  100   HG21  THR  13          HG21      THR  13 -11.917  -9.649   0.352
  101   HG22  THR  13          HG22      THR  13 -10.566 -10.033  -0.716
  102   HG23  THR  13          HG23      THR  13 -11.229  -8.398  -0.686
  103    H    LEU  14           HN       LEU  14  -9.944  -6.866  -1.272
  104    HA   LEU  14           HA       LEU  14  -8.692  -4.405  -1.043
  105    HB2  LEU  14           HB2      LEU  14 -10.225  -5.069  -2.853
  106    HB3  LEU  14           HB1      LEU  14 -11.574  -4.939  -1.741
  107    HG   LEU  14           HG       LEU  14 -10.889  -2.486  -1.461
  108   HD11  LEU  14          HD11      LEU  14  -9.647  -1.491  -3.281
  109   HD12  LEU  14          HD12      LEU  14  -9.434  -3.072  -4.035
  110   HD13  LEU  14          HD13      LEU  14  -8.664  -2.721  -2.488
  111   HD21  LEU  14          HD21      LEU  14 -12.100  -1.836  -3.503
  112   HD22  LEU  14          HD22      LEU  14 -12.890  -3.157  -2.644
  113   HD23  LEU  14          HD23      LEU  14 -11.952  -3.489  -4.098
  114    H    GLU  15           HN       GLU  15 -11.613  -5.529   0.627
  115    HA   GLU  15           HA       GLU  15 -12.095  -3.105   2.008
  116    HB2  GLU  15           HB2      GLU  15 -13.629  -4.482   3.400
  117    HB3  GLU  15           HB1      GLU  15 -13.888  -4.667   1.673
  118    HG2  GLU  15           HG2      GLU  15 -12.059  -6.608   2.945
  119    HG3  GLU  15           HG1      GLU  15 -13.763  -6.725   3.376
  120    H    GLU  16           HN       GLU  16  -9.623  -5.304   2.464
  121    HA   GLU  16           HA       GLU  16  -9.481  -4.837   5.352
  122    HB2  GLU  16           HB2      GLU  16  -8.232  -6.829   3.504
  123    HB3  GLU  16           HB1      GLU  16  -7.456  -6.471   5.043
  124    HG2  GLU  16           HG2      GLU  16  -9.075  -7.475   6.257
  125    HG3  GLU  16           HG1      GLU  16 -10.350  -7.041   5.121
  126    H    ILE  17           HN       ILE  17  -7.644  -4.303   2.374
  127    HA   ILE  17           HA       ILE  17  -5.412  -3.137   3.720
  128    HB   ILE  17           HB       ILE  17  -4.819  -2.248   1.418
  129   HG12  ILE  17          HG12      ILE  17  -6.251  -3.985  -0.207
  130   HG13  ILE  17          HG11      ILE  17  -7.477  -3.327   0.873
  131   HG21  ILE  17          HG21      ILE  17  -4.200  -4.511   0.596
  132   HG22  ILE  17          HG22      ILE  17  -5.201  -5.199   1.875
  133   HG23  ILE  17          HG23      ILE  17  -3.791  -4.223   2.287
  134   HD11  ILE  17          HD11      ILE  17  -7.186  -2.073  -1.248
  135   HD12  ILE  17          HD12      ILE  17  -5.563  -1.644  -0.714
  136   HD13  ILE  17          HD13      ILE  17  -6.964  -1.101   0.204
  137    H    LYS  18           HN       LYS  18  -8.343  -1.834   2.241
  138    HA   LYS  18           HA       LYS  18  -7.487   0.897   2.616
  139    HB2  LYS  18           HB2      LYS  18  -9.654   1.532   1.759
  140    HB3  LYS  18           HB1      LYS  18  -8.991   0.253   0.756
  141    HG2  LYS  18           HG2      LYS  18 -10.512  -1.317   1.516
  142    HG3  LYS  18           HG1      LYS  18 -10.870  -0.408   2.985
  143    HD2  LYS  18           HD2      LYS  18 -12.740  -0.262   1.456
  144    HD3  LYS  18           HD1      LYS  18 -11.978   1.319   1.617
  145    HE2  LYS  18           HE2      LYS  18 -10.654   0.652  -0.487
  146    HE3  LYS  18           HE1      LYS  18 -11.879  -0.598  -0.686
  147    HZ1  LYS  18           HZ1      LYS  18 -12.255   2.340  -0.692
  148    HZ2  LYS  18           HZ2      LYS  18 -13.546   1.266  -0.530
  149    HZ3  LYS  18           HZ3      LYS  18 -12.601   1.242  -1.933
  150    H    LYS  19           HN       LYS  19  -8.333  -1.354   4.757
  151    HA   LYS  19           HA       LYS  19  -9.676   0.574   6.532
  152    HB2  LYS  19           HB2      LYS  19 -10.849  -1.662   5.745
  153    HB3  LYS  19           HB1      LYS  19  -9.855  -2.372   7.007
  154    HG2  LYS  19           HG2      LYS  19 -11.956  -1.903   7.970
  155    HG3  LYS  19           HG1      LYS  19 -10.835  -0.689   8.591
  156    HD2  LYS  19           HD2      LYS  19 -12.673   0.598   8.035
  157    HD3  LYS  19           HD1      LYS  19 -11.688   0.734   6.580
  158    HE2  LYS  19           HE2      LYS  19 -13.950   0.322   5.913
  159    HE3  LYS  19           HE1      LYS  19 -13.013  -1.140   5.598
  160    HZ1  LYS  19           HZ1      LYS  19 -13.859  -1.795   7.946
  161    HZ2  LYS  19           HZ2      LYS  19 -14.871  -1.979   6.610
  162    HZ3  LYS  19           HZ3      LYS  19 -15.070  -0.655   7.643
  163    H    HIS  20           HN       HIS  20  -6.853   0.244   6.069
  164    HA   HIS  20           HA       HIS  20  -6.038  -0.376   8.823
  165    HB2  HIS  20           HB2      HIS  20  -5.017  -1.561   6.312
  166    HB3  HIS  20           HB1      HIS  20  -3.788  -1.039   7.456
  167    HD1  HIS  20           HD1      HIS  20  -6.458  -3.593   6.941
  168    HD2  HIS  20           HD2      HIS  20  -3.662  -2.528   9.829
  169    HE1  HIS  20           HE1      HIS  20  -6.364  -5.529   8.544
  170    HE2  HIS  20           HE2      HIS  20  -4.493  -4.958  10.131
  171    H    ASN  21           HN       ASN  21  -6.228   1.803   6.371
  172    HA   ASN  21           HA       ASN  21  -3.710   3.141   6.648
  173    HB2  ASN  21           HB2      ASN  21  -4.747   4.860   5.198
  174    HB3  ASN  21           HB1      ASN  21  -4.885   3.240   4.529
  175   HD21  ASN  21          HD21      ASN  21  -6.466   5.501   3.833
  176   HD22  ASN  21          HD22      ASN  21  -8.106   5.140   4.243
  177    H    HIS  22           HN       HIS  22  -4.243   3.057   9.137
  178    HA   HIS  22           HA       HIS  22  -5.663   5.522   9.868
  179    HB2  HIS  22           HB2      HIS  22  -5.166   2.958  11.310
  180    HB3  HIS  22           HB1      HIS  22  -5.375   4.430  12.251
  181    HD1  HIS  22           HD1      HIS  22  -7.631   3.577  13.201
  182    HD2  HIS  22           HD2      HIS  22  -7.558   3.962   9.065
  183    HE1  HIS  22           HE1      HIS  22 -10.027   3.410  12.465
  184    HE2  HIS  22           HE2      HIS  22  -9.973   3.822   9.981
  185    H    SER  23           HN       SER  23  -3.074   3.825  11.643
  186    HA   SER  23           HA       SER  23  -1.437   6.249  11.349
  187    HB2  SER  23           HB2      SER  23  -0.800   5.870  13.817
  188    HB3  SER  23           HB1      SER  23  -2.380   6.578  13.479
  189    HG   SER  23           HG       SER  23  -3.275   4.921  14.392
  190    H    LYS  24           HN       LYS  24  -1.006   3.277  13.245
  191    HA   LYS  24           HA       LYS  24   1.670   2.993  12.146
  192    HB2  LYS  24           HB2      LYS  24   1.889   1.192  13.867
  193    HB3  LYS  24           HB1      LYS  24   1.494   2.774  14.522
  194    HG2  LYS  24           HG2      LYS  24  -0.981   1.704  14.193
  195    HG3  LYS  24           HG1      LYS  24  -0.027   0.271  14.575
  196    HD2  LYS  24           HD2      LYS  24  -0.142   2.807  16.216
  197    HD3  LYS  24           HD1      LYS  24  -0.966   1.292  16.597
  198    HE2  LYS  24           HE2      LYS  24   1.109   0.162  16.919
  199    HE3  LYS  24           HE1      LYS  24   2.021   1.526  16.278
  200    HZ1  LYS  24           HZ1      LYS  24   1.248   2.844  18.175
  201    HZ2  LYS  24           HZ2      LYS  24   2.151   1.500  18.662
  202    HZ3  LYS  24           HZ3      LYS  24   0.470   1.483  18.808
  203    H    SER  25           HN       SER  25  -0.533   2.446  10.364
  204    HA   SER  25           HA       SER  25   0.313  -0.179   9.479
  205    HB2  SER  25           HB2      SER  25  -2.630   0.406   9.908
  206    HB3  SER  25           HB1      SER  25  -1.935  -1.091   9.284
  207    HG   SER  25           HG       SER  25  -0.714  -0.848  11.492
  208    H    THR  26           HN       THR  26   0.676   2.505   8.595
  209    HA   THR  26           HA       THR  26  -1.092   3.144   6.464
  210    HB   THR  26           HB       THR  26   1.755   4.087   6.824
  211    HG1  THR  26           HG1      THR  26   0.812   4.680   8.696
  212   HG21  THR  26          HG21      THR  26   0.960   6.090   5.650
  213   HG22  THR  26          HG22      THR  26  -0.635   5.356   5.476
  214   HG23  THR  26          HG23      THR  26   0.754   4.648   4.652
  215    H    TRP  27           HN       TRP  27  -1.322   1.453   5.073
  216    HA   TRP  27           HA       TRP  27   1.065   0.416   3.731
  217    HB2  TRP  27           HB2      TRP  27  -1.781  -0.608   3.824
  218    HB3  TRP  27           HB1      TRP  27  -0.512  -1.331   2.847
  219    HD1  TRP  27           HD1      TRP  27   1.484  -0.635   5.618
  220    HE1  TRP  27           HE1      TRP  27   1.517  -2.509   7.376
  221    HE3  TRP  27           HE3      TRP  27  -2.719  -3.175   4.175
  222    HZ2  TRP  27           HZ2      TRP  27  -0.032  -4.767   8.065
  223    HZ3  TRP  27           HZ3      TRP  27  -3.370  -5.183   5.441
  224    HH2  TRP  27           HH2      TRP  27  -2.052  -5.959   7.343
  225    H    LEU  28           HN       LEU  28   1.414   0.722   1.593
  226    HA   LEU  28           HA       LEU  28  -0.596   2.304   0.120
  227    HB2  LEU  28           HB2      LEU  28   2.173   2.822   0.626
  228    HB3  LEU  28           HB1      LEU  28   1.954   2.571  -1.094
  229    HG   LEU  28           HG       LEU  28   0.222   4.505   0.426
  230   HD11  LEU  28          HD11      LEU  28   2.461   5.236   0.880
  231   HD12  LEU  28          HD12      LEU  28   1.777   6.275  -0.372
  232   HD13  LEU  28          HD13      LEU  28   2.924   5.007  -0.808
  233   HD21  LEU  28          HD21      LEU  28  -0.589   3.925  -1.753
  234   HD22  LEU  28          HD22      LEU  28   1.006   4.169  -2.465
  235   HD23  LEU  28          HD23      LEU  28   0.103   5.546  -1.836
  236    H    ILE  29           HN       ILE  29  -1.205   1.583  -1.866
  237    HA   ILE  29           HA       ILE  29  -0.157  -1.039  -2.637
  238    HB   ILE  29           HB       ILE  29  -2.729   0.373  -3.349
  239   HG12  ILE  29          HG12      ILE  29  -3.564  -1.932  -2.408
  240   HG13  ILE  29          HG11      ILE  29  -1.971  -1.992  -1.666
  241   HG21  ILE  29          HG21      ILE  29  -3.325  -1.522  -4.731
  242   HG22  ILE  29          HG22      ILE  29  -1.769  -2.285  -4.403
  243   HG23  ILE  29          HG23      ILE  29  -1.838  -0.786  -5.333
  244   HD11  ILE  29          HD11      ILE  29  -2.440   0.158  -0.563
  245   HD12  ILE  29          HD12      ILE  29  -3.570  -1.113  -0.103
  246   HD13  ILE  29          HD13      ILE  29  -4.061   0.129  -1.253
  247    H    LEU  30           HN       LEU  30   1.263  -1.153  -4.182
  248    HA   LEU  30           HA       LEU  30   1.128   0.731  -6.437
  249    HB2  LEU  30           HB2      LEU  30   3.700  -0.199  -5.152
  250    HB3  LEU  30           HB1      LEU  30   3.541   0.924  -6.486
  251    HG   LEU  30           HG       LEU  30   2.451   1.517  -3.741
  252   HD11  LEU  30          HD11      LEU  30   4.481   2.851  -3.379
  253   HD12  LEU  30          HD12      LEU  30   5.156   2.213  -4.879
  254   HD13  LEU  30          HD13      LEU  30   4.837   1.130  -3.523
  255   HD21  LEU  30          HD21      LEU  30   3.167   3.276  -6.084
  256   HD22  LEU  30          HD22      LEU  30   2.534   3.824  -4.531
  257   HD23  LEU  30          HD23      LEU  30   1.536   2.826  -5.589
  258    H    HIS  31           HN       HIS  31   0.842  -0.377  -8.247
  259    HA   HIS  31           HA       HIS  31   0.901  -2.005  -9.828
  260    HB2  HIS  31           HB2      HIS  31   3.490  -2.359  -8.442
  261    HB3  HIS  31           HB1      HIS  31   2.938  -3.731  -9.392
  262    HD1  HIS  31           HD1      HIS  31   2.027  -2.763 -11.947
  263    HD2  HIS  31           HD2      HIS  31   5.066  -0.775  -9.921
  264    HE1  HIS  31           HE1      HIS  31   3.257  -1.441 -13.698
  265    HE2  HIS  31           HE2      HIS  31   5.170  -0.356 -12.473
  266    H    HIS  32           HN       HIS  32  -0.728  -2.360  -7.577
  267    HA   HIS  32           HA       HIS  32  -2.159  -3.884  -6.704
  268    HB2  HIS  32           HB2      HIS  32  -0.761  -5.850  -8.528
  269    HB3  HIS  32           HB1      HIS  32  -2.244  -6.177  -7.635
  270    HD1  HIS  32           HD1      HIS  32  -1.235  -5.367 -10.897
  271    HD2  HIS  32           HD2      HIS  32  -4.251  -3.966  -8.405
  272    HE1  HIS  32           HE1      HIS  32  -2.943  -4.335 -12.418
  273    HE2  HIS  32           HE2      HIS  32  -4.656  -3.325 -10.877
  274    H    LYS  33           HN       LYS  33   0.844  -3.597  -5.862
  275    HA   LYS  33           HA       LYS  33   0.901  -5.947  -4.092
  276    HB2  LYS  33           HB2      LYS  33   3.210  -4.085  -4.620
  277    HB3  LYS  33           HB1      LYS  33   3.256  -5.701  -3.933
  278    HG2  LYS  33           HG2      LYS  33   2.144  -5.562  -6.641
  279    HG3  LYS  33           HG1      LYS  33   3.839  -5.090  -6.513
  280    HD2  LYS  33           HD2      LYS  33   4.339  -7.197  -5.383
  281    HD3  LYS  33           HD1      LYS  33   2.645  -7.666  -5.503
  282    HE2  LYS  33           HE2      LYS  33   2.781  -7.655  -7.922
  283    HE3  LYS  33           HE1      LYS  33   4.447  -7.084  -7.846
  284    HZ1  LYS  33           HZ1      LYS  33   5.096  -9.126  -6.797
  285    HZ2  LYS  33           HZ2      LYS  33   4.283  -9.483  -8.235
  286    HZ3  LYS  33           HZ3      LYS  33   3.494  -9.672  -6.749
  287    H    VAL  34           HN       VAL  34   1.103  -5.665  -1.877
  288    HA   VAL  34           HA       VAL  34   0.404  -2.985  -0.917
  289    HB   VAL  34           HB       VAL  34   0.459  -5.529   0.714
  290   HG11  VAL  34          HG11      VAL  34  -1.079  -4.333   2.168
  291   HG12  VAL  34          HG12      VAL  34  -1.039  -2.937   1.091
  292   HG13  VAL  34          HG13      VAL  34   0.416  -3.419   1.965
  293   HG21  VAL  34          HG21      VAL  34  -1.019  -5.799  -1.252
  294   HG22  VAL  34          HG22      VAL  34  -1.907  -4.363  -0.746
  295   HG23  VAL  34          HG23      VAL  34  -1.902  -5.800   0.275
  296    H    TYR  35           HN       TYR  35   1.960  -1.717  -0.164
  297    HA   TYR  35           HA       TYR  35   4.393  -2.969   0.942
  298    HB2  TYR  35           HB2      TYR  35   4.070  -0.254  -0.361
  299    HB3  TYR  35           HB1      TYR  35   5.565  -0.883   0.317
  300    HD1  TYR  35           HD2      TYR  35   6.797  -2.649  -0.811
  301    HD2  TYR  35           HD1      TYR  35   3.239  -1.048  -2.489
  302    HE1  TYR  35           HE2      TYR  35   7.364  -3.671  -2.972
  303    HE2  TYR  35           HE1      TYR  35   3.794  -2.066  -4.653
  304    HH   TYR  35           HH       TYR  35   5.547  -2.964  -5.865
  305    H    ASP  36           HN       ASP  36   4.891  -2.593   3.005
  306    HA   ASP  36           HA       ASP  36   3.251  -0.695   4.508
  307    HB2  ASP  36           HB2      ASP  36   3.328  -2.820   5.576
  308    HB3  ASP  36           HB1      ASP  36   5.073  -2.951   5.357
  309    H    LEU  37           HN       LEU  37   4.011   1.279   4.507
  310    HA   LEU  37           HA       LEU  37   6.881   1.685   5.022
  311    HB2  LEU  37           HB2      LEU  37   6.987   3.478   3.527
  312    HB3  LEU  37           HB1      LEU  37   6.046   2.279   2.666
  313    HG   LEU  37           HG       LEU  37   4.668   4.436   4.226
  314   HD11  LEU  37          HD11      LEU  37   5.876   4.665   1.483
  315   HD12  LEU  37          HD12      LEU  37   6.176   5.688   2.889
  316   HD13  LEU  37          HD13      LEU  37   4.606   5.730   2.083
  317   HD21  LEU  37          HD21      LEU  37   2.921   4.079   2.572
  318   HD22  LEU  37          HD22      LEU  37   3.343   2.564   3.366
  319   HD23  LEU  37          HD23      LEU  37   3.930   2.900   1.738
  320    H    THR  38           HN       THR  38   4.491   1.467   6.755
  321    HA   THR  38           HA       THR  38   3.638   3.963   7.670
  322    HB   THR  38           HB       THR  38   2.797   1.536   8.211
  323    HG1  THR  38           HG1      THR  38   2.735   3.743  10.016
  324   HG21  THR  38          HG21      THR  38   4.551   2.107  10.608
  325   HG22  THR  38          HG22      THR  38   4.810   0.817   9.432
  326   HG23  THR  38          HG23      THR  38   3.380   0.795  10.468
  327    H    LYS  39           HN       LYS  39   6.651   2.363   8.154
  328    HA   LYS  39           HA       LYS  39   7.367   4.303  10.247
  329    HB2  LYS  39           HB2      LYS  39   8.064   1.480   9.784
  330    HB3  LYS  39           HB1      LYS  39   9.429   2.501  10.218
  331    HG2  LYS  39           HG2      LYS  39   6.876   2.275  11.798
  332    HG3  LYS  39           HG1      LYS  39   8.372   1.410  12.154
  333    HD2  LYS  39           HD2      LYS  39   9.524   3.590  12.394
  334    HD3  LYS  39           HD1      LYS  39   7.979   4.403  12.151
  335    HE2  LYS  39           HE2      LYS  39   7.079   3.408  14.144
  336    HE3  LYS  39           HE1      LYS  39   8.524   2.415  14.348
  337    HZ1  LYS  39           HZ1      LYS  39   9.815   4.431  14.681
  338    HZ2  LYS  39           HZ2      LYS  39   8.563   4.330  15.813
  339    HZ3  LYS  39           HZ3      LYS  39   8.428   5.381  14.492
  340    H    PHE  40           HN       PHE  40   7.384   4.261   7.119
  341    HA   PHE  40           HA       PHE  40  10.134   5.291   6.831
  342    HB2  PHE  40           HB2      PHE  40   9.787   3.251   5.525
  343    HB3  PHE  40           HB1      PHE  40   8.362   3.948   4.773
  344    HD1  PHE  40           HD1      PHE  40  12.010   4.580   5.169
  345    HD2  PHE  40           HD2      PHE  40   8.564   4.941   2.708
  346    HE1  PHE  40           HE1      PHE  40  13.415   5.435   3.338
  347    HE2  PHE  40           HE2      PHE  40   9.956   5.795   0.871
  348    HZ   PHE  40           HZ       PHE  40  12.388   6.041   1.185
  349    H    LEU  41           HN       LEU  41   6.912   6.102   6.965
  350    HA   LEU  41           HA       LEU  41   6.483   7.990   4.980
  351    HB2  LEU  41           HB2      LEU  41   5.561   8.206   7.843
  352    HB3  LEU  41           HB1      LEU  41   4.834   8.980   6.449
  353    HG   LEU  41           HG       LEU  41   4.967   5.985   6.723
  354   HD11  LEU  41          HD11      LEU  41   3.789   6.841   8.667
  355   HD12  LEU  41          HD12      LEU  41   2.658   6.085   7.542
  356   HD13  LEU  41          HD13      LEU  41   2.773   7.843   7.628
  357   HD21  LEU  41          HD21      LEU  41   3.157   7.792   5.126
  358   HD22  LEU  41          HD22      LEU  41   3.164   6.029   5.110
  359   HD23  LEU  41          HD23      LEU  41   4.549   6.922   4.485
  360    H    GLU  42           HN       GLU  42   7.949   8.438   8.167
  361    HA   GLU  42           HA       GLU  42   8.406  11.240   7.796
  362    HB2  GLU  42           HB2      GLU  42   9.693  11.017   9.932
  363    HB3  GLU  42           HB1      GLU  42   8.030  10.454  10.020
  364    HG2  GLU  42           HG2      GLU  42   8.676   8.202  10.049
  365    HG3  GLU  42           HG1      GLU  42  10.312   8.576   9.508
  366    H    GLU  43           HN       GLU  43   9.933   8.609   6.495
  367    HA   GLU  43           HA       GLU  43  12.528  10.003   6.411
  368    HB2  GLU  43           HB2      GLU  43  11.926   7.055   6.111
  369    HB3  GLU  43           HB1      GLU  43  13.507   7.777   5.837
  370    HG2  GLU  43           HG2      GLU  43  13.159   8.689   8.272
  371    HG3  GLU  43           HG1      GLU  43  12.039   7.331   8.383
  372    H    HIS  44           HN       HIS  44   9.904   9.965   4.748
  373    HA   HIS  44           HA       HIS  44  10.934   9.217   2.137
  374    HB2  HIS  44           HB2      HIS  44   8.569   8.728   2.857
  375    HB3  HIS  44           HB1      HIS  44   8.262  10.459   2.820
  376    HD1  HIS  44           HD1      HIS  44   7.251  11.236   0.690
  377    HD2  HIS  44           HD2      HIS  44   9.543   7.799   0.175
  378    HE1  HIS  44           HE1      HIS  44   7.082  10.622  -1.756
  379    HA   PRO  45           HA       PRO  45  12.540  13.339   1.566
  380    HB2  PRO  45           HB2      PRO  45  13.188  13.069  -1.063
  381    HB3  PRO  45           HB1      PRO  45  14.155  12.385   0.251
  382    HG2  PRO  45           HG2      PRO  45  12.145  11.033  -1.498
  383    HG3  PRO  45           HG1      PRO  45  13.733  10.454  -0.952
  384    HD2  PRO  45           HD2      PRO  45  11.438   9.640   0.197
  385    HD3  PRO  45           HD1      PRO  45  12.944   9.830   1.116
  386    H    GLY  46           HN       GLY  46   9.922  11.969  -0.255
  387    HA2  GLY  46           HA2      GLY  46   9.309  14.522  -1.532
  388    HA3  GLY  46           HA1      GLY  46   8.496  12.993  -1.828
  389    H    GLY  47           HN       GLY  47   8.958  13.727   1.464
  390    HA2  GLY  47           HA2      GLY  47   7.571  14.760   3.033
  391    HA3  GLY  47           HA1      GLY  47   6.459  15.180   1.736
  392    H    GLU  48           HN       GLU  48   5.512  14.237   4.124
  393    HA   GLU  48           HA       GLU  48   4.881  11.407   3.727
  394    HB2  GLU  48           HB2      GLU  48   4.015  11.487   6.004
  395    HB3  GLU  48           HB1      GLU  48   5.646  12.145   5.944
  396    HG2  GLU  48           HG2      GLU  48   4.378  14.420   5.662
  397    HG3  GLU  48           HG1      GLU  48   3.058  13.528   6.414
  398    H    GLU  49           HN       GLU  49   3.501  14.532   3.384
  399    HA   GLU  49           HA       GLU  49   0.800  14.124   3.783
  400    HB2  GLU  49           HB2      GLU  49   1.826  16.309   3.331
  401    HB3  GLU  49           HB1      GLU  49   2.103  15.835   1.662
  402    HG2  GLU  49           HG2      GLU  49   0.168  17.279   1.849
  403    HG3  GLU  49           HG1      GLU  49  -0.296  15.673   1.294
  404    H    VAL  50           HN       VAL  50   2.583  13.712   0.722
  405    HA   VAL  50           HA       VAL  50   0.360  12.835  -0.770
  406    HB   VAL  50           HB       VAL  50   2.026  11.989  -2.414
  407   HG11  VAL  50          HG11      VAL  50   2.947  14.184  -2.966
  408   HG12  VAL  50          HG12      VAL  50   2.562  14.760  -1.342
  409   HG13  VAL  50          HG13      VAL  50   1.264  14.311  -2.452
  410   HG21  VAL  50          HG21      VAL  50   4.422  12.480  -1.993
  411   HG22  VAL  50          HG22      VAL  50   3.772  11.239  -0.921
  412   HG23  VAL  50          HG23      VAL  50   4.017  12.880  -0.322
  413    H    LEU  51           HN       LEU  51   2.227  11.208   1.579
  414    HA   LEU  51           HA       LEU  51   1.705   8.565   0.497
  415    HB2  LEU  51           HB2      LEU  51   2.926   9.312   3.147
  416    HB3  LEU  51           HB1      LEU  51   2.952   7.731   2.392
  417    HG   LEU  51           HG       LEU  51   4.328  10.189   1.306
  418   HD11  LEU  51          HD11      LEU  51   6.388   9.143   2.036
  419   HD12  LEU  51          HD12      LEU  51   5.489   7.775   2.693
  420   HD13  LEU  51          HD13      LEU  51   5.306   9.373   3.411
  421   HD21  LEU  51          HD21      LEU  51   4.426   7.300   0.432
  422   HD22  LEU  51          HD22      LEU  51   5.424   8.603  -0.211
  423   HD23  LEU  51          HD23      LEU  51   3.678   8.631  -0.451
  424    H    ARG  52           HN       ARG  52   0.791  10.451   3.376
  425    HA   ARG  52           HA       ARG  52  -0.874   8.436   4.448
  426    HB2  ARG  52           HB2      ARG  52  -1.843  10.328   5.837
  427    HB3  ARG  52           HB1      ARG  52  -0.121  10.028   5.999
  428    HG2  ARG  52           HG2      ARG  52  -0.214  12.323   5.910
  429    HG3  ARG  52           HG1      ARG  52   0.123  11.908   4.231
  430    HD2  ARG  52           HD2      ARG  52  -1.592  13.624   4.369
  431    HD3  ARG  52           HD1      ARG  52  -2.248  12.135   3.694
  432    HE   ARG  52           HE       ARG  52  -3.022  11.773   6.138
  433   HH11  ARG  52          HH11      ARG  52  -2.824  14.852   4.433
  434   HH12  ARG  52          HH12      ARG  52  -4.177  15.585   5.386
  435   HH21  ARG  52          HH21      ARG  52  -4.737  12.659   7.353
  436   HH22  ARG  52          HH22      ARG  52  -5.249  14.357   7.019
  437    H    GLU  53           HN       GLU  53  -1.494  10.899   2.041
  438    HA   GLU  53           HA       GLU  53  -4.342  10.683   2.295
  439    HB2  GLU  53           HB2      GLU  53  -4.471  12.079   0.308
  440    HB3  GLU  53           HB1      GLU  53  -3.319  12.742   1.456
  441    HG2  GLU  53           HG2      GLU  53  -1.498  12.224   0.138
  442    HG3  GLU  53           HG1      GLU  53  -2.371  10.989  -0.766
  443    H    GLN  54           HN       GLN  54  -1.873   9.111   0.381
  444    HA   GLN  54           HA       GLN  54  -3.901   7.736  -1.205
  445    HB2  GLN  54           HB2      GLN  54  -0.887   7.758  -1.383
  446    HB3  GLN  54           HB1      GLN  54  -1.918   6.766  -2.406
  447    HG2  GLN  54           HG2      GLN  54  -1.811   9.767  -2.288
  448    HG3  GLN  54           HG1      GLN  54  -1.319   8.726  -3.621
  449   HE21  GLN  54          HE21      GLN  54  -3.353  10.927  -3.322
  450   HE22  GLN  54          HE22      GLN  54  -4.822  10.236  -3.935
  451    H    ALA  55           HN       ALA  55  -2.714   7.351   1.748
  452    HA   ALA  55           HA       ALA  55  -1.873   4.672   1.880
  453    HB1  ALA  55           HB1      ALA  55  -3.273   6.317   3.987
  454    HB2  ALA  55           HB2      ALA  55  -1.533   6.249   3.714
  455    HB3  ALA  55           HB3      ALA  55  -2.397   4.813   4.264
  456    H    GLY  56           HN       GLY  56  -2.960   2.804   1.765
  457    HA2  GLY  56           HA2      GLY  56  -4.754   1.325   1.945
  458    HA3  GLY  56           HA1      GLY  56  -5.798   2.674   2.377
  459    H    GLY  57           HN       GLY  57  -4.096   3.605  -0.259
  460    HA2  GLY  57           HA2      GLY  57  -6.141   2.578  -2.113
  461    HA3  GLY  57           HA1      GLY  57  -5.620   4.255  -2.130
  462    H    ASP  58           HN       ASP  58  -5.357   3.397  -4.447
  463    HA   ASP  58           HA       ASP  58  -2.745   2.107  -4.808
  464    HB2  ASP  58           HB2      ASP  58  -4.480   0.998  -6.029
  465    HB3  ASP  58           HB1      ASP  58  -5.086   2.522  -6.670
  466    H    ALA  59           HN       ALA  59  -1.045   3.297  -5.322
  467    HA   ALA  59           HA       ALA  59  -1.513   5.915  -6.601
  468    HB1  ALA  59           HB1      ALA  59   0.406   6.803  -5.358
  469    HB2  ALA  59           HB2      ALA  59   0.575   5.259  -4.523
  470    HB3  ALA  59           HB3      ALA  59  -0.868   6.242  -4.274
  471    H    THR  60           HN       THR  60  -0.922   3.303  -7.801
  472    HA   THR  60           HA       THR  60   1.772   3.086  -8.548
  473    HB   THR  60           HB       THR  60  -0.633   2.219 -10.166
  474    HG1  THR  60           HG1      THR  60  -0.870   1.207  -8.229
  475   HG21  THR  60          HG21      THR  60   2.221   1.224 -10.113
  476   HG22  THR  60          HG22      THR  60   1.445   2.105 -11.430
  477   HG23  THR  60          HG23      THR  60   0.899   0.480 -11.012
  478    H    GLU  61           HN       GLU  61  -0.814   5.085  -9.782
  479    HA   GLU  61           HA       GLU  61   0.451   5.759 -12.238
  480    HB2  GLU  61           HB2      GLU  61  -1.191   7.897 -11.726
  481    HB3  GLU  61           HB1      GLU  61  -1.665   6.431 -12.562
  482    HG2  GLU  61           HG2      GLU  61  -3.331   6.754 -10.991
  483    HG3  GLU  61           HG1      GLU  61  -2.297   5.533 -10.257
  484    H    ASN  62           HN       ASN  62   0.305   7.286  -9.054
  485    HA   ASN  62           HA       ASN  62   1.839   9.568  -9.749
  486    HB2  ASN  62           HB2      ASN  62   0.429   8.792  -7.529
  487    HB3  ASN  62           HB1      ASN  62   2.089   8.639  -6.968
  488   HD21  ASN  62          HD21      ASN  62  -0.460  10.737  -7.686
  489   HD22  ASN  62          HD22      ASN  62   0.360  12.229  -7.385
  490    H    PHE  63           HN       PHE  63   2.626   6.375  -8.574
  491    HA   PHE  63           HA       PHE  63   5.288   6.677  -7.864
  492    HB2  PHE  63           HB2      PHE  63   4.124   4.633  -7.386
  493    HB3  PHE  63           HB1      PHE  63   3.811   4.337  -9.088
  494    HD1  PHE  63           HD2      PHE  63   6.476   4.463  -6.531
  495    HD2  PHE  63           HD1      PHE  63   5.332   3.136 -10.407
  496    HE1  PHE  63           HE2      PHE  63   8.506   3.081  -6.653
  497    HE2  PHE  63           HE1      PHE  63   7.356   1.746 -10.536
  498    HZ   PHE  63           HZ       PHE  63   8.947   1.719  -8.658
  499    H    GLU  64           HN       GLU  64   3.966   5.765 -11.057
  500    HA   GLU  64           HA       GLU  64   6.562   5.897 -12.290
  501    HB2  GLU  64           HB2      GLU  64   5.380   5.436 -14.386
  502    HB3  GLU  64           HB1      GLU  64   4.891   4.317 -13.123
  503    HG2  GLU  64           HG2      GLU  64   2.838   5.557 -12.785
  504    HG3  GLU  64           HG1      GLU  64   3.334   6.742 -13.992
  505    H    ASP  65           HN       ASP  65   3.950   8.085 -11.740
  506    HA   ASP  65           HA       ASP  65   4.437   9.967 -13.780
  507    HB2  ASP  65           HB2      ASP  65   2.382   9.954 -12.422
  508    HB3  ASP  65           HB1      ASP  65   3.317  10.414 -11.004
  509    H    VAL  66           HN       VAL  66   5.589   9.745 -10.444
  510    HA   VAL  66           HA       VAL  66   7.249  12.066 -10.602
  511    HB   VAL  66           HB       VAL  66   7.266   9.770  -8.634
  512   HG11  VAL  66          HG11      VAL  66   9.427  11.082  -8.846
  513   HG12  VAL  66          HG12      VAL  66   8.695  11.022  -7.243
  514   HG13  VAL  66          HG13      VAL  66   8.527  12.471  -8.235
  515   HG21  VAL  66          HG21      VAL  66   5.187  11.125  -8.708
  516   HG22  VAL  66          HG22      VAL  66   6.149  12.555  -8.335
  517   HG23  VAL  66          HG23      VAL  66   6.041  11.235  -7.171
  518    H    GLY  67           HN       GLY  67   7.888   8.566 -10.640
  519    HA2  GLY  67           HA2      GLY  67   9.504   7.518 -12.002
  520    HA3  GLY  67           HA1      GLY  67  10.307   9.068 -12.205
  521    H    HIS  68           HN       HIS  68  10.058   6.211 -10.312
  522    HA   HIS  68           HA       HIS  68  11.909   7.230  -8.296
  523    HB2  HIS  68           HB2      HIS  68  10.273   4.708  -8.523
  524    HB3  HIS  68           HB1      HIS  68  11.538   4.886  -7.313
  525    HD1  HIS  68           HD1      HIS  68   8.356   6.728  -8.368
  526    HD2  HIS  68           HD2      HIS  68  10.692   5.956  -5.011
  527    HE1  HIS  68           HE1      HIS  68   7.140   7.758  -6.407
  528    H    SER  69           HN       SER  69  13.974   6.415  -7.994
  529    HA   SER  69           HA       SER  69  15.325   5.461 -10.284
  530    HB2  SER  69           HB2      SER  69  17.229   5.115  -8.638
  531    HB3  SER  69           HB1      SER  69  16.559   6.743  -8.698
  532    HG   SER  69           HG       SER  69  15.552   6.423  -6.780
  533    H    THR  70           HN       THR  70  16.582   3.437 -10.412
  534    HA   THR  70           HA       THR  70  14.944   1.186 -10.129
  535    HB   THR  70           HB       THR  70  17.931   0.951 -10.324
  536    HG1  THR  70           HG1      THR  70  17.000   1.177 -12.758
  537   HG21  THR  70          HG21      THR  70  15.741  -0.481 -11.825
  538   HG22  THR  70          HG22      THR  70  16.382  -1.047 -10.283
  539   HG23  THR  70          HG23      THR  70  17.438  -0.940 -11.690
  540    H    ASP  71           HN       ASP  71  17.441   2.531  -8.060
  541    HA   ASP  71           HA       ASP  71  17.611   0.277  -6.325
  542    HB2  ASP  71           HB2      ASP  71  19.422   1.920  -6.470
  543    HB3  ASP  71           HB1      ASP  71  18.355   3.170  -5.836
  544    H    ALA  72           HN       ALA  72  15.725   3.259  -6.322
  545    HA   ALA  72           HA       ALA  72  14.623   3.009  -3.741
  546    HB1  ALA  72           HB1      ALA  72  13.530   4.402  -6.179
  547    HB2  ALA  72           HB2      ALA  72  14.568   5.107  -4.941
  548    HB3  ALA  72           HB3      ALA  72  12.924   4.608  -4.536
  549    H    ARG  73           HN       ARG  73  13.385   1.982  -6.925
  550    HA   ARG  73           HA       ARG  73  10.963   0.942  -5.893
  551    HB2  ARG  73           HB2      ARG  73  10.826  -0.300  -8.077
  552    HB3  ARG  73           HB1      ARG  73  11.001   1.443  -8.209
  553    HG2  ARG  73           HG2      ARG  73  12.706   1.122  -9.574
  554    HG3  ARG  73           HG1      ARG  73  13.602   0.393  -8.241
  555    HD2  ARG  73           HD2      ARG  73  13.579  -1.132 -10.101
  556    HD3  ARG  73           HD1      ARG  73  12.591  -1.789  -8.800
  557    HE   ARG  73           HE       ARG  73  11.248  -0.303 -10.929
  558   HH11  ARG  73          HH11      ARG  73  12.058  -3.400  -9.437
  559   HH12  ARG  73          HH12      ARG  73  10.721  -4.272 -10.286
  560   HH21  ARG  73          HH21      ARG  73   9.572  -1.374 -12.028
  561   HH22  ARG  73          HH22      ARG  73   9.342  -3.143 -11.751
  562    H    GLU  74           HN       GLU  74  14.149  -0.473  -6.365
  563    HA   GLU  74           HA       GLU  74  13.297  -3.141  -5.786
  564    HB2  GLU  74           HB2      GLU  74  16.032  -1.858  -5.842
  565    HB3  GLU  74           HB1      GLU  74  15.778  -3.559  -5.477
  566    HG2  GLU  74           HG2      GLU  74  15.126  -2.135  -8.045
  567    HG3  GLU  74           HG1      GLU  74  16.383  -3.341  -7.777
  568    H    LEU  75           HN       LEU  75  14.170  -0.381  -3.915
  569    HA   LEU  75           HA       LEU  75  14.840  -1.707  -1.496
  570    HB2  LEU  75           HB2      LEU  75  15.478   0.599  -1.826
  571    HB3  LEU  75           HB1      LEU  75  13.807   1.074  -2.054
  572    HG   LEU  75           HG       LEU  75  13.448   0.280   0.370
  573   HD11  LEU  75          HD11      LEU  75  15.413   0.361   1.795
  574   HD12  LEU  75          HD12      LEU  75  16.442   0.602   0.385
  575   HD13  LEU  75          HD13      LEU  75  15.569  -0.915   0.588
  576   HD21  LEU  75          HD21      LEU  75  14.102   2.438   1.243
  577   HD22  LEU  75          HD22      LEU  75  13.429   2.630  -0.373
  578   HD23  LEU  75          HD23      LEU  75  15.172   2.702  -0.132
  579    H    SER  76           HN       SER  76  11.887  -0.886  -3.081
  580    HA   SER  76           HA       SER  76  10.165  -1.049  -0.833
  581    HB2  SER  76           HB2      SER  76   9.528  -1.416  -3.768
  582    HB3  SER  76           HB1      SER  76   8.357  -1.110  -2.483
  583    HG   SER  76           HG       SER  76  10.507   0.651  -3.067
  584    H    LYS  77           HN       LYS  77  11.898  -3.396  -2.496
  585    HA   LYS  77           HA       LYS  77  10.086  -5.569  -2.451
  586    HB2  LYS  77           HB2      LYS  77  12.339  -5.324  -3.692
  587    HB3  LYS  77           HB1      LYS  77  13.066  -5.858  -2.185
  588    HG2  LYS  77           HG2      LYS  77  11.710  -7.916  -2.296
  589    HG3  LYS  77           HG1      LYS  77  11.089  -7.388  -3.863
  590    HD2  LYS  77           HD2      LYS  77  13.488  -7.264  -4.640
  591    HD3  LYS  77           HD1      LYS  77  13.932  -8.069  -3.134
  592    HE2  LYS  77           HE2      LYS  77  12.458  -9.953  -3.740
  593    HE3  LYS  77           HE1      LYS  77  12.090  -9.152  -5.267
  594    HZ1  LYS  77           HZ1      LYS  77  13.810 -10.815  -5.547
  595    HZ2  LYS  77           HZ2      LYS  77  14.777 -10.061  -4.386
  596    HZ3  LYS  77           HZ3      LYS  77  14.441  -9.274  -5.846
  597    H    THR  78           HN       THR  78  11.786  -3.954   0.028
  598    HA   THR  78           HA       THR  78  11.520  -6.235   1.845
  599    HB   THR  78           HB       THR  78  13.675  -4.826   1.683
  600    HG1  THR  78           HG1      THR  78  12.386  -5.350   4.176
  601   HG21  THR  78          HG21      THR  78  12.599  -2.618   1.781
  602   HG22  THR  78          HG22      THR  78  13.767  -2.835   3.087
  603   HG23  THR  78          HG23      THR  78  12.038  -2.971   3.416
  604    H    PHE  79           HN       PHE  79   9.654  -3.741   0.799
  605    HA   PHE  79           HA       PHE  79   8.445  -3.268   3.437
  606    HB2  PHE  79           HB2      PHE  79   8.230  -1.724   0.850
  607    HB3  PHE  79           HB1      PHE  79   7.222  -1.396   2.253
  608    HD1  PHE  79           HD2      PHE  79   9.180  -1.696   4.452
  609    HD2  PHE  79           HD1      PHE  79   9.556   0.163   0.640
  610    HE1  PHE  79           HE2      PHE  79  10.926  -0.216   5.349
  611    HE2  PHE  79           HE1      PHE  79  11.300   1.648   1.535
  612    HZ   PHE  79           HZ       PHE  79  11.988   1.460   3.894
  613    H    ILE  80           HN       ILE  80   7.938  -4.868   0.447
  614    HA   ILE  80           HA       ILE  80   5.094  -4.905   0.500
  615    HB   ILE  80           HB       ILE  80   6.119  -5.342  -1.601
  616   HG12  ILE  80          HG12      ILE  80   5.004  -7.952  -0.551
  617   HG13  ILE  80          HG11      ILE  80   4.044  -6.595  -1.128
  618   HG21  ILE  80          HG21      ILE  80   8.272  -6.143  -0.913
  619   HG22  ILE  80          HG22      ILE  80   7.548  -7.329  -2.001
  620   HG23  ILE  80          HG23      ILE  80   7.562  -7.622  -0.261
  621   HD11  ILE  80          HD11      ILE  80   4.201  -8.334  -2.803
  622   HD12  ILE  80          HD12      ILE  80   5.960  -8.227  -2.772
  623   HD13  ILE  80          HD13      ILE  80   5.006  -6.863  -3.350
  624    H    ILE  81           HN       ILE  81   3.805  -5.989   1.794
  625    HA   ILE  81           HA       ILE  81   4.902  -8.324   3.215
  626    HB   ILE  81           HB       ILE  81   3.430  -7.917   5.055
  627   HG12  ILE  81          HG12      ILE  81   1.609  -6.923   3.493
  628   HG13  ILE  81          HG11      ILE  81   1.709  -6.354   5.154
  629   HG21  ILE  81          HG21      ILE  81   4.826  -5.381   4.236
  630   HG22  ILE  81          HG22      ILE  81   5.520  -6.730   5.138
  631   HG23  ILE  81          HG23      ILE  81   4.249  -5.743   5.863
  632   HD11  ILE  81          HD11      ILE  81   3.012  -4.397   4.313
  633   HD12  ILE  81          HD12      ILE  81   1.348  -4.481   3.740
  634   HD13  ILE  81          HD13      ILE  81   2.673  -4.950   2.675
  635    H    GLY  82           HN       GLY  82   2.885  -7.523   0.752
  636    HA2  GLY  82           HA2      GLY  82   1.828 -10.061   0.445
  637    HA3  GLY  82           HA1      GLY  82   0.626  -9.137   1.329
  638    H    GLU  83           HN       GLU  83  -0.513  -9.845  -0.698
  639    HA   GLU  83           HA       GLU  83  -0.348  -7.693  -2.690
  640    HB2  GLU  83           HB2      GLU  83  -0.087 -10.602  -3.111
  641    HB3  GLU  83           HB1      GLU  83  -1.195  -9.786  -4.202
  642    HG2  GLU  83           HG2      GLU  83   0.603  -8.239  -4.836
  643    HG3  GLU  83           HG1      GLU  83   1.709  -9.118  -3.780
  644    H    LEU  84           HN       LEU  84  -2.366  -7.718  -4.086
  645    HA   LEU  84           HA       LEU  84  -4.671  -7.828  -2.336
  646    HB2  LEU  84           HB2      LEU  84  -3.901  -6.389  -4.722
  647    HB3  LEU  84           HB1      LEU  84  -5.482  -7.115  -4.931
  648    HG   LEU  84           HG       LEU  84  -5.668  -4.827  -4.136
  649   HD11  LEU  84          HD11      LEU  84  -7.144  -5.207  -2.259
  650   HD12  LEU  84          HD12      LEU  84  -6.435  -6.800  -1.994
  651   HD13  LEU  84          HD13      LEU  84  -7.354  -6.478  -3.464
  652   HD21  LEU  84          HD21      LEU  84  -3.527  -4.701  -2.951
  653   HD22  LEU  84          HD22      LEU  84  -4.163  -5.772  -1.703
  654   HD23  LEU  84          HD23      LEU  84  -4.871  -4.175  -1.937
  655    H    HIS  85           HN       HIS  85  -6.539  -9.039  -2.716
  656    HA   HIS  85           HA       HIS  85  -6.220 -11.665  -3.627
  657    HB2  HIS  85           HB2      HIS  85  -8.622  -9.971  -3.009
  658    HB3  HIS  85           HB1      HIS  85  -8.844 -11.561  -3.727
  659    HD1  HIS  85           HD1      HIS  85 -10.088 -12.133  -1.431
  660    HD2  HIS  85           HD2      HIS  85  -6.005 -11.430  -1.141
  661    HE1  HIS  85           HE1      HIS  85  -9.404 -13.033   0.814
  662    HE2  HIS  85           HE2      HIS  85  -6.975 -12.410   1.045
  663    HA   PRO  86           HA       PRO  86  -6.514 -11.410  -8.043
  664    HB2  PRO  86           HB2      PRO  86  -7.855 -13.766  -8.544
  665    HB3  PRO  86           HB1      PRO  86  -6.120 -13.654  -8.232
  666    HG2  PRO  86           HG2      PRO  86  -8.313 -14.400  -6.363
  667    HG3  PRO  86           HG1      PRO  86  -6.686 -15.084  -6.517
  668    HD2  PRO  86           HD2      PRO  86  -7.300 -13.374  -4.548
  669    HD3  PRO  86           HD1      PRO  86  -5.698 -13.379  -5.314
  670    H    ASP  87           HN       ASP  87  -9.386 -12.209  -6.170
  671    HA   ASP  87           HA       ASP  87 -11.300 -11.677  -8.197
  672    HB2  ASP  87           HB2      ASP  87 -12.000 -11.235  -5.327
  673    HB3  ASP  87           HB1      ASP  87 -12.911 -12.057  -6.587
  674    H    ASP  88           HN       ASP  88  -9.512  -9.687  -5.998
  675    HA   ASP  88           HA       ASP  88 -11.172  -7.351  -6.580
  676    HB2  ASP  88           HB2      ASP  88  -8.972  -7.900  -4.596
  677    HB3  ASP  88           HB1      ASP  88  -9.488  -6.256  -4.948
  678    H    ARG  89           HN       ARG  89  -8.879  -8.925  -8.131
  679    HA   ARG  89           HA       ARG  89  -7.400  -6.523  -8.947
  680    HB2  ARG  89           HB2      ARG  89  -6.163  -8.552  -8.016
  681    HB3  ARG  89           HB1      ARG  89  -6.589  -9.366  -9.515
  682    HG2  ARG  89           HG2      ARG  89  -5.419  -7.587 -10.769
  683    HG3  ARG  89           HG1      ARG  89  -4.922  -6.875  -9.233
  684    HD2  ARG  89           HD2      ARG  89  -4.196  -9.598 -10.298
  685    HD3  ARG  89           HD1      ARG  89  -3.122  -8.219 -10.085
  686    HE   ARG  89           HE       ARG  89  -4.416  -9.155  -7.671
  687   HH11  ARG  89          HH11      ARG  89  -1.564  -9.323  -9.750
  688   HH12  ARG  89          HH12      ARG  89  -0.532 -10.042  -8.456
  689   HH21  ARG  89          HH21      ARG  89  -3.120 -10.049  -6.002
  690   HH22  ARG  89          HH22      ARG  89  -1.379 -10.423  -6.363
  691    H    SER  90           HN       SER  90  -8.684  -9.557 -10.358
  692    HA   SER  90           HA       SER  90  -9.176  -8.022 -12.825
  693    HB2  SER  90           HB2      SER  90  -8.907 -10.368 -13.922
  694    HB3  SER  90           HB1      SER  90  -7.461  -9.486 -13.422
  695    HG   SER  90           HG       SER  90  -8.589 -11.800 -12.387
  696    H    LYS  91           HN       LYS  91 -11.080  -8.431 -10.629
  697    HA   LYS  91           HA       LYS  91 -13.177  -9.688 -12.240
  698    HB2  LYS  91           HB2      LYS  91 -12.247 -11.314 -10.504
  699    HB3  LYS  91           HB1      LYS  91 -12.952 -10.262  -9.287
  700    HG2  LYS  91           HG2      LYS  91 -15.152 -10.587 -10.563
  701    HG3  LYS  91           HG1      LYS  91 -14.330 -11.930 -11.358
  702    HD2  LYS  91           HD2      LYS  91 -14.402 -11.685  -8.368
  703    HD3  LYS  91           HD1      LYS  91 -15.728 -12.426  -9.261
  704    HE2  LYS  91           HE2      LYS  91 -12.875 -13.309  -9.598
  705    HE3  LYS  91           HE1      LYS  91 -13.921 -13.977  -8.347
  706    HZ1  LYS  91           HZ1      LYS  91 -13.979 -15.382 -10.274
  707    HZ2  LYS  91           HZ2      LYS  91 -14.391 -14.085 -11.280
  708    HZ3  LYS  91           HZ3      LYS  91 -15.485 -14.630 -10.110
  709    H    LEU  92           HN       LEU  92 -12.840  -8.292  -8.989
  710    HA   LEU  92           HA       LEU  92 -13.783  -6.523  -7.954
  711    HB2  LEU  92           HB2      LEU  92 -14.047  -5.661 -10.803
  712    HB3  LEU  92           HB1      LEU  92 -14.835  -4.732  -9.544
  713    HG   LEU  92           HG       LEU  92 -12.775  -3.657  -9.965
  714   HD11  LEU  92          HD11      LEU  92 -11.697  -3.687  -7.869
  715   HD12  LEU  92          HD12      LEU  92 -12.192  -5.351  -7.558
  716   HD13  LEU  92          HD13      LEU  92 -13.395  -4.060  -7.563
  717   HD21  LEU  92          HD21      LEU  92 -11.408  -6.323  -9.662
  718   HD22  LEU  92          HD22      LEU  92 -10.626  -4.774  -9.973
  719   HD23  LEU  92          HD23      LEU  92 -11.694  -5.479 -11.186
  720    H    SER  93           HN       SER  93 -15.406  -8.924  -8.928
  721    HA   SER  93           HA       SER  93 -18.087  -7.828  -9.013
  722    HB2  SER  93           HB2      SER  93 -17.326 -10.746  -8.840
  723    HB3  SER  93           HB1      SER  93 -18.828 -10.054  -9.451
  724    HG   SER  93           HG       SER  93 -17.921  -9.829 -11.324
  725    H    LYS  94           HN       LYS  94 -17.756  -6.802  -6.880
  726    HA   LYS  94           HA       LYS  94 -18.731  -8.564  -4.772
  727    HB2  LYS  94           HB2      LYS  94 -16.188  -6.958  -4.640
  728    HB3  LYS  94           HB1      LYS  94 -17.116  -7.268  -3.180
  729    HG2  LYS  94           HG2      LYS  94 -16.712  -9.549  -3.248
  730    HG3  LYS  94           HG1      LYS  94 -16.319  -9.527  -4.968
  731    HD2  LYS  94           HD2      LYS  94 -14.272  -9.823  -3.810
  732    HD3  LYS  94           HD1      LYS  94 -14.291  -8.153  -4.371
  733    HE2  LYS  94           HE2      LYS  94 -15.484  -8.116  -1.840
  734    HE3  LYS  94           HE1      LYS  94 -14.091  -9.185  -1.693
  735    HZ1  LYS  94           HZ1      LYS  94 -13.252  -7.075  -1.233
  736    HZ2  LYS  94           HZ2      LYS  94 -14.147  -6.342  -2.468
  737    HZ3  LYS  94           HZ3      LYS  94 -12.823  -7.320  -2.864
  738    HA   PRO  95           HA       PRO  95 -21.350  -5.006  -4.296
  739    HB2  PRO  95           HB2      PRO  95 -22.559  -5.716  -1.972
  740    HB3  PRO  95           HB1      PRO  95 -22.951  -6.465  -3.525
  741    HG2  PRO  95           HG2      PRO  95 -21.208  -7.491  -1.333
  742    HG3  PRO  95           HG1      PRO  95 -22.379  -8.364  -2.343
  743    HD2  PRO  95           HD2      PRO  95 -19.703  -8.442  -2.785
  744    HD3  PRO  95           HD1      PRO  95 -20.907  -8.605  -4.078
  745    H    MET  96           HN       MET  96 -21.173  -3.035  -3.307
  746    HA   MET  96           HA       MET  96 -19.184  -2.832  -1.166
  747    HB2  MET  96           HB2      MET  96 -18.744  -1.445  -3.118
  748    HB3  MET  96           HB1      MET  96 -20.325  -0.687  -2.966
  749    HG2  MET  96           HG2      MET  96 -19.715   0.489  -1.051
  750    HG3  MET  96           HG1      MET  96 -18.339  -0.563  -0.732
  751    HE1  MET  96           HE1      MET  96 -19.806   2.214  -3.067
  752    HE2  MET  96           HE2      MET  96 -19.298   1.004  -4.245
  753    HE3  MET  96           HE3      MET  96 -18.451   2.548  -4.143
  754    H    GLU  97           HN       GLU  97 -22.172  -1.064  -2.007
  755    HA   GLU  97           HA       GLU  97 -23.918  -0.326  -0.769
  756    HB2  GLU  97           HB2      GLU  97 -24.216  -2.656  -0.129
  757    HB3  GLU  97           HB1      GLU  97 -23.025  -2.484   1.152
  758    HG2  GLU  97           HG2      GLU  97 -25.097  -0.515   1.453
  759    HG3  GLU  97           HG1      GLU  97 -25.796  -2.130   1.322
  760    H    THR  98           HN       THR  98 -23.711   1.690  -0.046
  761    HA   THR  98           HA       THR  98 -22.661   2.216   2.558
  762    HB   THR  98           HB       THR  98 -20.561   2.067   1.218
  763    HG1  THR  98           HG1      THR  98 -19.686   3.914   2.135
  764   HG21  THR  98          HG21      THR  98 -21.509   2.982  -0.890
  765   HG22  THR  98          HG22      THR  98 -20.003   3.756  -0.403
  766   HG23  THR  98          HG23      THR  98 -21.541   4.575  -0.141
  767    H    LEU  99           HN       LEU  99 -22.469   4.753   2.818
  768    HA   LEU  99           HA       LEU  99 -23.571   6.733   2.956
  769    HB2  LEU  99           HB2      LEU  99 -24.351   6.056   0.117
  770    HB3  LEU  99           HB1      LEU  99 -24.625   7.613   0.873
  771    HG   LEU  99           HG       LEU  99 -21.871   6.427   0.590
  772   HD11  LEU  99          HD11      LEU  99 -22.805   6.611  -1.634
  773   HD12  LEU  99          HD12      LEU  99 -21.599   7.870  -1.378
  774   HD13  LEU  99          HD13      LEU  99 -23.314   8.267  -1.308
  775   HD21  LEU  99          HD21      LEU  99 -22.023   8.177   2.233
  776   HD22  LEU  99          HD22      LEU  99 -22.895   9.214   1.106
  777   HD23  LEU  99          HD23      LEU  99 -21.207   8.805   0.803
  778    H    ILE 100           HN       ILE 100 -24.888   4.350   3.855
  779    HA   ILE 100           HA       ILE 100 -27.669   4.553   3.148
  780    HB   ILE 100           HB       ILE 100 -27.916   2.920   5.128
  781   HG12  ILE 100          HG12      ILE 100 -24.930   2.675   4.695
  782   HG13  ILE 100          HG11      ILE 100 -25.649   3.493   6.078
  783   HG21  ILE 100          HG21      ILE 100 -26.317   2.190   2.679
  784   HG22  ILE 100          HG22      ILE 100 -28.073   2.251   2.807
  785   HG23  ILE 100          HG23      ILE 100 -27.166   1.046   3.718
  786   HD11  ILE 100          HD11      ILE 100 -24.954   1.228   6.628
  787   HD12  ILE 100          HD12      ILE 100 -26.012   0.594   5.367
  788   HD13  ILE 100          HD13      ILE 100 -26.702   1.411   6.770
  789    H    THR 101           HN       THR 101 -25.745   5.291   6.055
  790    HA   THR 101           HA       THR 101 -28.072   6.462   7.337
  791    HB   THR 101           HB       THR 101 -25.362   6.688   8.552
  792    HG1  THR 101           HG1      THR 101 -25.101   4.582   8.781
  793   HG21  THR 101          HG21      THR 101 -26.646   6.082  10.585
  794   HG22  THR 101          HG22      THR 101 -28.100   5.956   9.595
  795   HG23  THR 101          HG23      THR 101 -27.286   7.511   9.774
  796    H    THR 102           HN       THR 102 -28.292   8.626   7.867
  797    HA   THR 102           HA       THR 102 -27.013  10.486   6.112
  798    HB   THR 102           HB       THR 102 -28.458  11.767   8.250
  799    HG1  THR 102           HG1      THR 102 -29.982   9.788   6.874
  800   HG21  THR 102          HG21      THR 102 -28.199  12.657   5.981
  801   HG22  THR 102          HG22      THR 102 -29.902  12.490   6.406
  802   HG23  THR 102          HG23      THR 102 -29.138  11.311   5.340
  803    H    VAL 103           HN       VAL 103 -25.095  11.402   6.478
  804    HA   VAL 103           HA       VAL 103 -24.050  11.489   9.214
  805    HB   VAL 103           HB       VAL 103 -21.875  12.031   8.164
  806   HG11  VAL 103          HG11      VAL 103 -23.202   9.580   7.011
  807   HG12  VAL 103          HG12      VAL 103 -22.495   9.701   8.621
  808   HG13  VAL 103          HG13      VAL 103 -21.466   9.831   7.194
  809   HG21  VAL 103          HG21      VAL 103 -21.572  11.966   5.774
  810   HG22  VAL 103          HG22      VAL 103 -22.819  13.157   6.148
  811   HG23  VAL 103          HG23      VAL 103 -23.270  11.570   5.529
  812    H    ASP 104           HN       ASP 104 -25.690  13.393   7.102
  813    HA   ASP 104           HA       ASP 104 -24.536  15.910   8.083
  814    HB2  ASP 104           HB2      ASP 104 -25.801  16.959   6.220
  815    HB3  ASP 104           HB1      ASP 104 -24.649  15.756   5.647
  816    HHB  HEM 400           HB       HEM 400  11.596   5.012  -1.708
  817    HHC  HEM 400           HC       HEM 400   5.325   5.159  -2.487
  818    HHD  HEM 400           HD       HEM 400   5.741  11.069  -4.728
  819    HMA  HEM 400          HMA1      HEM 400  13.914   5.424  -2.660
  820   HMAA  HEM 400          HMA2      HEM 400  13.769   6.168  -1.072
  821   HMAB  HEM 400          HMA3      HEM 400  14.850   6.867  -2.269
  822    HAA  HEM 400          HAA1      HEM 400  14.698   9.419  -2.677
  823   HAAA  HEM 400          HAA2      HEM 400  13.941  10.017  -4.145
  824    HBA  HEM 400          HBA1      HEM 400  14.869   7.205  -4.254
  825   HBAA  HEM 400          HBA2      HEM 400  16.133   8.427  -4.139
  826    HMB  HEM 400          HMB1      HEM 400   9.846   2.188  -1.725
  827   HMBA  HEM 400          HMB2      HEM 400   9.452   2.726  -0.086
  828   HMBB  HEM 400          HMB3      HEM 400  10.888   3.337  -0.907
  829    HAB  HEM 400           HAB      HEM 400   7.021   2.111  -1.774
  830    HBB  HEM 400          HBB1      HEM 400   5.259   4.302  -0.402
  831   HBBA  HEM 400          HBB2      HEM 400   4.925   2.418  -0.563
  832    HMC  HEM 400          HMC1      HEM 400   2.403   7.185  -3.822
  833   HMCA  HEM 400          HMC2      HEM 400   3.007   6.570  -2.279
  834   HMCB  HEM 400          HMC3      HEM 400   3.375   5.725  -3.786
  835    HAC  HEM 400           HAC      HEM 400   3.559  10.180  -5.276
  836    HBC  HEM 400          HBC1      HEM 400   2.016   9.096  -2.783
  837   HBCA  HEM 400          HBC2      HEM 400   1.411  10.317  -4.135
  838    HMD  HEM 400          HMD1      HEM 400   7.273  13.740  -4.530
  839   HMDA  HEM 400          HMD2      HEM 400   6.562  12.727  -5.787
  840   HMDB  HEM 400          HMD3      HEM 400   8.040  13.638  -6.098
  841    HAD  HEM 400          HAD1      HEM 400  10.070  13.865  -5.335
  842   HADA  HEM 400          HAD2      HEM 400  11.286  13.107  -4.320
  843    HBD  HEM 400          HBD1      HEM 400  10.822  12.099  -7.114
  844   HBDA  HEM 400          HBD2      HEM 400  12.271  11.982  -6.115
  845    HHA  HEM 400           HA       HEM 400  12.058  10.781  -4.257
  Start of MODEL    5
    1    H1   MET   1           HT1      MET   1  19.063 -14.888  15.823
    2    H2   MET   1           HT2      MET   1  20.389 -15.383  16.737
    3    H3   MET   1           HT3      MET   1  20.285 -13.781  16.198
    4    HA   MET   1           HA       MET   1  18.507 -15.109  18.159
    5    HB2  MET   1           HB2      MET   1  20.783 -14.484  18.978
    6    HB3  MET   1           HB1      MET   1  20.443 -12.814  18.538
    7    HG2  MET   1           HG2      MET   1  18.509 -12.866  20.102
    8    HG3  MET   1           HG1      MET   1  19.034 -14.466  20.623
    9    HE1  MET   1           HE1      MET   1  18.595 -12.020  22.637
   10    HE2  MET   1           HE2      MET   1  20.006 -12.220  23.674
   11    HE3  MET   1           HE3      MET   1  19.106 -13.633  23.124
   12    H    ALA   2           HN       ALA   2  19.381 -11.911  16.815
   13    HA   ALA   2           HA       ALA   2  16.516 -11.224  16.891
   14    HB1  ALA   2           HB1      ALA   2  17.789 -10.109  18.707
   15    HB2  ALA   2           HB2      ALA   2  17.047  -8.981  17.572
   16    HB3  ALA   2           HB3      ALA   2  18.777  -9.317  17.480
   17    H    ALA   3           HN       ALA   3  17.666 -12.314  14.652
   18    HA   ALA   3           HA       ALA   3  17.427 -10.092  12.786
   19    HB1  ALA   3           HB1      ALA   3  19.844 -10.309  13.200
   20    HB2  ALA   3           HB2      ALA   3  19.411 -10.689  11.533
   21    HB3  ALA   3           HB3      ALA   3  19.768 -11.989  12.669
   22    H    GLN   4           HN       GLN   4  15.629 -10.799  11.800
   23    HA   GLN   4           HA       GLN   4  15.636 -13.544  10.730
   24    HB2  GLN   4           HB2      GLN   4  13.183 -13.475  10.821
   25    HB3  GLN   4           HB1      GLN   4  13.885 -13.217  12.413
   26    HG2  GLN   4           HG2      GLN   4  13.570 -10.780  12.100
   27    HG3  GLN   4           HG1      GLN   4  12.738 -11.125  10.584
   28   HE21  GLN   4          HE21      GLN   4  10.779 -10.338  11.180
   29   HE22  GLN   4          HE22      GLN   4   9.792 -11.051  12.408
   30    H    SER   5           HN       SER   5  14.820 -13.836   8.597
   31    HA   SER   5           HA       SER   5  14.393 -11.390   7.039
   32    HB2  SER   5           HB2      SER   5  16.265 -13.597   6.160
   33    HB3  SER   5           HB1      SER   5  15.961 -12.074   5.328
   34    HG   SER   5           HG       SER   5  16.686 -11.343   7.692
   35    H    ASP   6           HN       ASP   6  12.351 -12.902   7.821
   36    HA   ASP   6           HA       ASP   6  11.730 -14.989   5.946
   37    HB2  ASP   6           HB2      ASP   6  10.285 -13.661   8.206
   38    HB3  ASP   6           HB1      ASP   6   9.375 -14.629   7.050
   39    H    LYS   7           HN       LYS   7  10.838 -14.762   4.011
   40    HA   LYS   7           HA       LYS   7   9.468 -12.227   3.395
   41    HB2  LYS   7           HB2      LYS   7  11.260 -13.876   1.603
   42    HB3  LYS   7           HB1      LYS   7  10.261 -12.548   1.035
   43    HG2  LYS   7           HG2      LYS   7  12.556 -12.382   2.974
   44    HG3  LYS   7           HG1      LYS   7  12.514 -11.782   1.316
   45    HD2  LYS   7           HD2      LYS   7  10.602 -10.298   2.034
   46    HD3  LYS   7           HD1      LYS   7  10.975 -10.765   3.694
   47    HE2  LYS   7           HE2      LYS   7  13.390 -10.023   3.062
   48    HE3  LYS   7           HE1      LYS   7  12.581  -9.131   1.774
   49    HZ1  LYS   7           HZ1      LYS   7  12.396  -8.759   4.686
   50    HZ2  LYS   7           HZ2      LYS   7  11.106  -8.288   3.699
   51    HZ3  LYS   7           HZ3      LYS   7  12.633  -7.600   3.472
   52    H    ASP   8           HN       ASP   8   7.424 -12.993   3.751
   53    HA   ASP   8           HA       ASP   8   6.516 -15.174   1.988
   54    HB2  ASP   8           HB2      ASP   8   6.373 -15.569   4.513
   55    HB3  ASP   8           HB1      ASP   8   5.133 -14.317   4.538
   56    H    VAL   9           HN       VAL   9   4.076 -14.916   1.480
   57    HA   VAL   9           HA       VAL   9   3.436 -12.070   1.111
   58    HB   VAL   9           HB       VAL   9   4.339 -12.746  -1.008
   59   HG11  VAL   9          HG11      VAL   9   2.360 -15.023  -1.012
   60   HG12  VAL   9          HG12      VAL   9   4.099 -15.173  -0.763
   61   HG13  VAL   9          HG13      VAL   9   3.479 -14.605  -2.312
   62   HG21  VAL   9          HG21      VAL   9   2.489 -11.272  -1.225
   63   HG22  VAL   9          HG22      VAL   9   1.333 -12.592  -1.037
   64   HG23  VAL   9          HG23      VAL   9   2.334 -12.495  -2.487
   65    H    LYS  10           HN       LYS  10   1.644 -11.715   2.211
   66    HA   LYS  10           HA       LYS  10  -0.385 -13.821   2.387
   67    HB2  LYS  10           HB2      LYS  10   0.596 -12.417   4.388
   68    HB3  LYS  10           HB1      LYS  10  -0.571 -11.218   3.852
   69    HG2  LYS  10           HG2      LYS  10  -2.383 -12.779   4.178
   70    HG3  LYS  10           HG1      LYS  10  -1.242 -14.052   4.614
   71    HD2  LYS  10           HD2      LYS  10  -0.474 -12.499   6.481
   72    HD3  LYS  10           HD1      LYS  10  -1.919 -11.547   6.132
   73    HE2  LYS  10           HE2      LYS  10  -1.887 -14.471   6.872
   74    HE3  LYS  10           HE1      LYS  10  -2.262 -13.147   7.974
   75    HZ1  LYS  10           HZ1      LYS  10  -3.795 -13.839   5.528
   76    HZ2  LYS  10           HZ2      LYS  10  -4.155 -12.581   6.598
   77    HZ3  LYS  10           HZ3      LYS  10  -4.265 -14.183   7.115
   78    H    TYR  11           HN       TYR  11  -2.357 -13.628   1.432
   79    HA   TYR  11           HA       TYR  11  -2.694 -11.337  -0.338
   80    HB2  TYR  11           HB2      TYR  11  -3.812 -14.098  -0.257
   81    HB3  TYR  11           HB1      TYR  11  -4.750 -12.840  -1.057
   82    HD1  TYR  11           HD2      TYR  11  -1.305 -14.288  -0.989
   83    HD2  TYR  11           HD1      TYR  11  -4.313 -12.336  -3.278
   84    HE1  TYR  11           HE2      TYR  11   0.076 -14.534  -3.009
   85    HE2  TYR  11           HE1      TYR  11  -2.939 -12.578  -5.298
   86    HH   TYR  11           HH       TYR  11  -0.192 -12.839  -5.628
   87    H    TYR  12           HN       TYR  12  -3.684  -9.642   0.447
   88    HA   TYR  12           HA       TYR  12  -5.747  -9.970   2.499
   89    HB2  TYR  12           HB2      TYR  12  -4.402  -7.456   1.478
   90    HB3  TYR  12           HB1      TYR  12  -5.523  -7.548   2.834
   91    HD1  TYR  12           HD2      TYR  12  -4.836  -8.951   4.854
   92    HD2  TYR  12           HD1      TYR  12  -2.110  -7.783   1.807
   93    HE1  TYR  12           HE2      TYR  12  -2.955  -9.362   6.390
   94    HE2  TYR  12           HE1      TYR  12  -0.223  -8.187   3.329
   95    HH   TYR  12           HH       TYR  12   0.223  -8.310   5.724
   96    H    THR  13           HN       THR  13  -7.701  -8.597   2.316
   97    HA   THR  13           HA       THR  13  -8.748  -8.744  -0.398
   98    HB   THR  13           HB       THR  13 -10.729  -7.856   1.434
   99    HG1  THR  13           HG1      THR  13  -9.990 -10.246   2.518
  100   HG21  THR  13          HG21      THR  13 -11.743 -10.027   0.916
  101   HG22  THR  13          HG22      THR  13 -10.214 -10.587   0.237
  102   HG23  THR  13          HG23      THR  13 -11.097  -9.269  -0.537
  103    H    LEU  14           HN       LEU  14 -10.137  -6.951  -1.188
  104    HA   LEU  14           HA       LEU  14  -8.767  -4.501  -1.170
  105    HB2  LEU  14           HB2      LEU  14 -10.348  -5.387  -2.929
  106    HB3  LEU  14           HB1      LEU  14 -11.665  -4.890  -1.885
  107    HG   LEU  14           HG       LEU  14 -10.718  -2.545  -2.002
  108   HD11  LEU  14          HD11      LEU  14  -9.278  -2.055  -3.933
  109   HD12  LEU  14          HD12      LEU  14  -9.096  -3.785  -4.215
  110   HD13  LEU  14          HD13      LEU  14  -8.476  -3.062  -2.731
  111   HD21  LEU  14          HD21      LEU  14 -11.686  -2.108  -4.210
  112   HD22  LEU  14          HD22      LEU  14 -12.690  -3.201  -3.255
  113   HD23  LEU  14          HD23      LEU  14 -11.675  -3.839  -4.552
  114    H    GLU  15           HN       GLU  15 -11.527  -5.634   0.696
  115    HA   GLU  15           HA       GLU  15 -11.958  -3.041   1.912
  116    HB2  GLU  15           HB2      GLU  15 -13.631  -4.283   3.309
  117    HB3  GLU  15           HB1      GLU  15 -13.908  -4.386   1.579
  118    HG2  GLU  15           HG2      GLU  15 -12.326  -6.538   2.867
  119    HG3  GLU  15           HG1      GLU  15 -14.067  -6.499   3.145
  120    H    GLU  16           HN       GLU  16  -9.549  -5.117   2.279
  121    HA   GLU  16           HA       GLU  16  -9.430  -4.944   5.206
  122    HB2  GLU  16           HB2      GLU  16  -9.087  -7.172   4.226
  123    HB3  GLU  16           HB1      GLU  16  -7.749  -6.551   3.269
  124    HG2  GLU  16           HG2      GLU  16  -7.039  -7.817   5.265
  125    HG3  GLU  16           HG1      GLU  16  -6.441  -6.158   5.237
  126    H    ILE  17           HN       ILE  17  -7.452  -4.362   2.319
  127    HA   ILE  17           HA       ILE  17  -5.292  -3.144   3.621
  128    HB   ILE  17           HB       ILE  17  -4.883  -2.055   1.331
  129   HG12  ILE  17          HG12      ILE  17  -6.208  -3.653  -0.387
  130   HG13  ILE  17          HG11      ILE  17  -7.433  -3.507   0.864
  131   HG21  ILE  17          HG21      ILE  17  -4.126  -4.199   0.382
  132   HG22  ILE  17          HG22      ILE  17  -5.063  -5.052   1.611
  133   HG23  ILE  17          HG23      ILE  17  -3.708  -4.027   2.087
  134   HD11  ILE  17          HD11      ILE  17  -7.735  -1.853  -0.895
  135   HD12  ILE  17          HD12      ILE  17  -6.122  -1.213  -0.573
  136   HD13  ILE  17          HD13      ILE  17  -7.382  -1.092   0.655
  137    H    LYS  18           HN       LYS  18  -8.378  -1.825   2.629
  138    HA   LYS  18           HA       LYS  18  -7.455   0.892   3.170
  139    HB2  LYS  18           HB2      LYS  18  -9.655   1.606   2.342
  140    HB3  LYS  18           HB1      LYS  18  -8.811   0.595   1.179
  141    HG2  LYS  18           HG2      LYS  18 -10.212  -1.252   1.623
  142    HG3  LYS  18           HG1      LYS  18 -10.885  -0.487   3.064
  143    HD2  LYS  18           HD2      LYS  18 -12.478  -0.383   1.236
  144    HD3  LYS  18           HD1      LYS  18 -11.914   1.238   1.645
  145    HE2  LYS  18           HE2      LYS  18 -10.326  -0.100  -0.421
  146    HE3  LYS  18           HE1      LYS  18 -12.004   0.186  -0.877
  147    HZ1  LYS  18           HZ1      LYS  18 -10.032   2.215   0.016
  148    HZ2  LYS  18           HZ2      LYS  18 -11.673   2.532  -0.222
  149    HZ3  LYS  18           HZ3      LYS  18 -10.710   2.060  -1.526
  150    H    LYS  19           HN       LYS  19  -8.135  -1.413   5.153
  151    HA   LYS  19           HA       LYS  19  -9.751   0.286   6.939
  152    HB2  LYS  19           HB2      LYS  19 -10.101  -2.489   6.173
  153    HB3  LYS  19           HB1      LYS  19  -9.926  -2.326   7.914
  154    HG2  LYS  19           HG2      LYS  19 -12.248  -2.237   7.383
  155    HG3  LYS  19           HG1      LYS  19 -11.738  -0.622   7.873
  156    HD2  LYS  19           HD2      LYS  19 -11.634   0.089   5.566
  157    HD3  LYS  19           HD1      LYS  19 -11.986  -1.548   5.014
  158    HE2  LYS  19           HE2      LYS  19 -13.991  -0.262   4.865
  159    HE3  LYS  19           HE1      LYS  19 -14.170  -1.409   6.191
  160    HZ1  LYS  19           HZ1      LYS  19 -14.989   0.740   6.836
  161    HZ2  LYS  19           HZ2      LYS  19 -13.521   1.476   6.438
  162    HZ3  LYS  19           HZ3      LYS  19 -13.597   0.394   7.729
  163    H    HIS  20           HN       HIS  20  -6.853  -1.405   6.415
  164    HA   HIS  20           HA       HIS  20  -6.122  -1.583   9.210
  165    HB2  HIS  20           HB2      HIS  20  -5.296  -2.844   6.821
  166    HB3  HIS  20           HB1      HIS  20  -3.899  -1.960   7.427
  167    HD1  HIS  20           HD1      HIS  20  -5.993  -4.960   8.066
  168    HD2  HIS  20           HD2      HIS  20  -2.992  -2.812  10.001
  169    HE1  HIS  20           HE1      HIS  20  -5.131  -6.468   9.884
  170    HE2  HIS  20           HE2      HIS  20  -3.202  -5.221  10.915
  171    H    ASN  21           HN       ASN  21  -5.649   0.573   6.514
  172    HA   ASN  21           HA       ASN  21  -3.388   1.937   7.566
  173    HB2  ASN  21           HB2      ASN  21  -3.794   3.617   5.859
  174    HB3  ASN  21           HB1      ASN  21  -3.972   2.009   5.167
  175   HD21  ASN  21          HD21      ASN  21  -5.481   5.017   5.806
  176   HD22  ASN  21          HD22      ASN  21  -7.013   4.640   5.099
  177    H    HIS  22           HN       HIS  22  -3.279   3.276   9.188
  178    HA   HIS  22           HA       HIS  22  -5.464   5.097   9.771
  179    HB2  HIS  22           HB2      HIS  22  -4.457   3.057  11.761
  180    HB3  HIS  22           HB1      HIS  22  -5.328   4.507  12.240
  181    HD1  HIS  22           HD1      HIS  22  -7.833   4.691  11.159
  182    HD2  HIS  22           HD2      HIS  22  -6.042   0.940  11.171
  183    HE1  HIS  22           HE1      HIS  22  -9.696   3.052  10.769
  184    HE2  HIS  22           HE2      HIS  22  -8.548   0.820  10.547
  185    H    SER  23           HN       SER  23  -2.681   3.990  11.654
  186    HA   SER  23           HA       SER  23  -1.203   6.411  11.009
  187    HB2  SER  23           HB2      SER  23  -0.809   6.579  13.624
  188    HB3  SER  23           HB1      SER  23  -2.215   7.334  12.877
  189    HG   SER  23           HG       SER  23  -3.454   6.036  13.957
  190    H    LYS  24           HN       LYS  24  -1.300   3.506  13.045
  191    HA   LYS  24           HA       LYS  24   1.600   3.183  12.700
  192    HB2  LYS  24           HB2      LYS  24   1.467   1.640  14.584
  193    HB3  LYS  24           HB1      LYS  24   0.745   3.188  15.002
  194    HG2  LYS  24           HG2      LYS  24  -1.490   2.172  14.471
  195    HG3  LYS  24           HG1      LYS  24  -0.668   0.615  14.347
  196    HD2  LYS  24           HD2      LYS  24   0.145   0.899  16.655
  197    HD3  LYS  24           HD1      LYS  24  -0.749   2.416  16.763
  198    HE2  LYS  24           HE2      LYS  24  -2.830   1.116  16.256
  199    HE3  LYS  24           HE1      LYS  24  -1.873  -0.356  16.407
  200    HZ1  LYS  24           HZ1      LYS  24  -1.260   0.548  18.692
  201    HZ2  LYS  24           HZ2      LYS  24  -2.823  -0.059  18.492
  202    HZ3  LYS  24           HZ3      LYS  24  -2.561   1.612  18.498
  203    H    SER  25           HN       SER  25  -0.688   2.414  10.778
  204    HA   SER  25           HA       SER  25   0.463  -0.114   9.986
  205    HB2  SER  25           HB2      SER  25  -2.512   0.030  10.552
  206    HB3  SER  25           HB1      SER  25  -1.616  -1.368   9.963
  207    HG   SER  25           HG       SER  25  -0.366  -0.772  12.116
  208    H    THR  26           HN       THR  26   0.538   2.390   8.817
  209    HA   THR  26           HA       THR  26  -1.471   2.705   6.806
  210    HB   THR  26           HB       THR  26   1.281   3.937   6.785
  211    HG1  THR  26           HG1      THR  26   0.706   4.720   8.678
  212   HG21  THR  26          HG21      THR  26   0.136   5.797   5.693
  213   HG22  THR  26          HG22      THR  26  -1.404   4.947   5.834
  214   HG23  THR  26          HG23      THR  26  -0.129   4.299   4.800
  215    H    TRP  27           HN       TRP  27  -1.672   1.320   5.168
  216    HA   TRP  27           HA       TRP  27   0.748   0.182   3.946
  217    HB2  TRP  27           HB2      TRP  27  -2.097  -0.817   4.066
  218    HB3  TRP  27           HB1      TRP  27  -0.918  -1.476   2.939
  219    HD1  TRP  27           HD1      TRP  27   1.321  -1.037   5.570
  220    HE1  TRP  27           HE1      TRP  27   1.443  -3.044   7.174
  221    HE3  TRP  27           HE3      TRP  27  -3.064  -3.344   4.309
  222    HZ2  TRP  27           HZ2      TRP  27  -0.117  -5.304   7.820
  223    HZ3  TRP  27           HZ3      TRP  27  -3.674  -5.427   5.468
  224    HH2  TRP  27           HH2      TRP  27  -2.229  -6.385   7.187
  225    H    LEU  28           HN       LEU  28   1.068   0.318   1.761
  226    HA   LEU  28           HA       LEU  28  -0.846   1.969   0.246
  227    HB2  LEU  28           HB2      LEU  28   1.735   2.690   0.978
  228    HB3  LEU  28           HB1      LEU  28   1.909   2.149  -0.680
  229    HG   LEU  28           HG       LEU  28  -0.235   4.122   0.018
  230   HD11  LEU  28          HD11      LEU  28   1.743   5.082   1.006
  231   HD12  LEU  28          HD12      LEU  28   1.368   5.935  -0.493
  232   HD13  LEU  28          HD13      LEU  28   2.674   4.751  -0.456
  233   HD21  LEU  28          HD21      LEU  28   0.179   4.847  -2.295
  234   HD22  LEU  28          HD22      LEU  28  -0.257   3.140  -2.203
  235   HD23  LEU  28          HD23      LEU  28   1.425   3.608  -2.448
  236    H    ILE  29           HN       ILE  29  -1.183   1.391  -1.905
  237    HA   ILE  29           HA       ILE  29  -0.148  -1.272  -2.602
  238    HB   ILE  29           HB       ILE  29  -2.607   0.157  -3.619
  239   HG12  ILE  29          HG12      ILE  29  -2.351  -2.294  -1.869
  240   HG13  ILE  29          HG11      ILE  29  -2.768  -0.682  -1.294
  241   HG21  ILE  29          HG21      ILE  29  -3.129  -1.838  -4.852
  242   HG22  ILE  29          HG22      ILE  29  -1.702  -2.658  -4.210
  243   HG23  ILE  29          HG23      ILE  29  -1.513  -1.290  -5.313
  244   HD11  ILE  29          HD11      ILE  29  -4.379  -2.168  -3.344
  245   HD12  ILE  29          HD12      ILE  29  -4.827  -0.709  -2.460
  246   HD13  ILE  29          HD13      ILE  29  -4.689  -2.251  -1.612
  247    H    LEU  30           HN       LEU  30   1.312  -1.404  -4.124
  248    HA   LEU  30           HA       LEU  30   1.326   0.589  -6.289
  249    HB2  LEU  30           HB2      LEU  30   3.713  -0.479  -4.775
  250    HB3  LEU  30           HB1      LEU  30   3.833   0.395  -6.288
  251    HG   LEU  30           HG       LEU  30   2.587   1.551  -3.800
  252   HD11  LEU  30          HD11      LEU  30   4.687   2.812  -3.555
  253   HD12  LEU  30          HD12      LEU  30   5.402   1.848  -4.850
  254   HD13  LEU  30          HD13      LEU  30   4.913   1.074  -3.341
  255   HD21  LEU  30          HD21      LEU  30   3.515   2.789  -6.390
  256   HD22  LEU  30          HD22      LEU  30   2.922   3.680  -4.989
  257   HD23  LEU  30          HD23      LEU  30   1.846   2.593  -5.861
  258    H    HIS  31           HN       HIS  31   1.025  -0.376  -8.164
  259    HA   HIS  31           HA       HIS  31   0.962  -1.918  -9.822
  260    HB2  HIS  31           HB2      HIS  31   3.499  -2.521  -8.446
  261    HB3  HIS  31           HB1      HIS  31   2.839  -3.857  -9.384
  262    HD1  HIS  31           HD1      HIS  31   2.462  -3.362 -11.981
  263    HD2  HIS  31           HD2      HIS  31   4.709  -0.539  -9.922
  264    HE1  HIS  31           HE1      HIS  31   3.597  -1.989 -13.747
  265    HE2  HIS  31           HE2      HIS  31   4.754  -0.149 -12.487
  266    H    HIS  32           HN       HIS  32  -0.598  -2.163  -7.469
  267    HA   HIS  32           HA       HIS  32  -2.158  -3.508  -6.565
  268    HB2  HIS  32           HB2      HIS  32  -1.318  -5.315  -8.824
  269    HB3  HIS  32           HB1      HIS  32  -2.619  -5.725  -7.711
  270    HD1  HIS  32           HD1      HIS  32  -2.928  -5.167 -10.833
  271    HD2  HIS  32           HD2      HIS  32  -3.826  -2.523  -7.751
  272    HE1  HIS  32           HE1      HIS  32  -4.614  -3.567 -11.784
  273    HE2  HIS  32           HE2      HIS  32  -5.020  -1.883  -9.957
  274    H    LYS  33           HN       LYS  33   0.600  -3.537  -5.617
  275    HA   LYS  33           HA       LYS  33   0.566  -6.138  -4.224
  276    HB2  LYS  33           HB2      LYS  33   3.021  -4.431  -4.663
  277    HB3  LYS  33           HB1      LYS  33   2.959  -6.078  -4.063
  278    HG2  LYS  33           HG2      LYS  33   1.862  -5.628  -6.763
  279    HG3  LYS  33           HG1      LYS  33   3.606  -5.446  -6.577
  280    HD2  LYS  33           HD2      LYS  33   3.583  -7.706  -5.433
  281    HD3  LYS  33           HD1      LYS  33   1.917  -7.869  -5.985
  282    HE2  LYS  33           HE2      LYS  33   2.658  -7.605  -8.301
  283    HE3  LYS  33           HE1      LYS  33   4.322  -7.431  -7.750
  284    HZ1  LYS  33           HZ1      LYS  33   2.923  -9.838  -6.883
  285    HZ2  LYS  33           HZ2      LYS  33   4.526  -9.630  -7.387
  286    HZ3  LYS  33           HZ3      LYS  33   3.292  -9.734  -8.532
  287    H    VAL  34           HN       VAL  34   1.030  -6.057  -1.959
  288    HA   VAL  34           HA       VAL  34   0.319  -3.483  -0.771
  289    HB   VAL  34           HB       VAL  34   0.614  -6.104   0.694
  290   HG11  VAL  34          HG11      VAL  34  -0.826  -5.068   2.343
  291   HG12  VAL  34          HG12      VAL  34  -0.992  -3.629   1.334
  292   HG13  VAL  34          HG13      VAL  34   0.573  -4.034   2.041
  293   HG21  VAL  34          HG21      VAL  34  -0.984  -6.458  -1.088
  294   HG22  VAL  34          HG22      VAL  34  -1.836  -4.976  -0.655
  295   HG23  VAL  34          HG23      VAL  34  -1.832  -6.345   0.455
  296    H    TYR  35           HN       TYR  35   1.835  -2.173  -0.065
  297    HA   TYR  35           HA       TYR  35   4.355  -3.333   0.935
  298    HB2  TYR  35           HB2      TYR  35   3.885  -0.688  -0.461
  299    HB3  TYR  35           HB1      TYR  35   5.414  -1.172   0.266
  300    HD1  TYR  35           HD2      TYR  35   6.690  -3.065  -0.714
  301    HD2  TYR  35           HD1      TYR  35   3.235  -1.479  -2.607
  302    HE1  TYR  35           HE2      TYR  35   7.356  -4.151  -2.813
  303    HE2  TYR  35           HE1      TYR  35   3.892  -2.560  -4.718
  304    HH   TYR  35           HH       TYR  35   5.669  -3.538  -5.816
  305    H    ASP  36           HN       ASP  36   4.936  -2.851   2.962
  306    HA   ASP  36           HA       ASP  36   3.225  -1.036   4.492
  307    HB2  ASP  36           HB2      ASP  36   3.404  -3.041   5.673
  308    HB3  ASP  36           HB1      ASP  36   5.093  -3.270   5.233
  309    H    LEU  37           HN       LEU  37   3.857   0.930   4.948
  310    HA   LEU  37           HA       LEU  37   6.685   1.509   5.340
  311    HB2  LEU  37           HB2      LEU  37   6.796   3.285   3.793
  312    HB3  LEU  37           HB1      LEU  37   6.077   1.946   2.922
  313    HG   LEU  37           HG       LEU  37   4.389   4.111   4.147
  314   HD11  LEU  37          HD11      LEU  37   5.582   4.062   1.379
  315   HD12  LEU  37          HD12      LEU  37   6.006   5.185   2.670
  316   HD13  LEU  37          HD13      LEU  37   4.388   5.216   1.969
  317   HD21  LEU  37          HD21      LEU  37   2.734   3.365   2.595
  318   HD22  LEU  37          HD22      LEU  37   3.362   1.946   3.434
  319   HD23  LEU  37          HD23      LEU  37   3.889   2.304   1.790
  320    H    THR  38           HN       THR  38   4.272   1.291   7.006
  321    HA   THR  38           HA       THR  38   3.291   3.839   7.692
  322    HB   THR  38           HB       THR  38   2.338   1.537   8.320
  323    HG1  THR  38           HG1      THR  38   2.435   3.528  10.372
  324   HG21  THR  38          HG21      THR  38   4.185   1.933  10.683
  325   HG22  THR  38          HG22      THR  38   4.342   0.676   9.457
  326   HG23  THR  38          HG23      THR  38   2.940   0.692  10.525
  327    H    LYS  39           HN       LYS  39   6.260   2.267   8.449
  328    HA   LYS  39           HA       LYS  39   6.867   4.319  10.461
  329    HB2  LYS  39           HB2      LYS  39   7.995   1.570   9.970
  330    HB3  LYS  39           HB1      LYS  39   8.891   2.764  10.899
  331    HG2  LYS  39           HG2      LYS  39   6.120   1.793  11.564
  332    HG3  LYS  39           HG1      LYS  39   7.608   1.210  12.310
  333    HD2  LYS  39           HD2      LYS  39   8.059   3.359  13.254
  334    HD3  LYS  39           HD1      LYS  39   6.745   4.100  12.341
  335    HE2  LYS  39           HE2      LYS  39   5.162   2.599  13.572
  336    HE3  LYS  39           HE1      LYS  39   6.522   2.108  14.581
  337    HZ1  LYS  39           HZ1      LYS  39   6.806   4.432  15.229
  338    HZ2  LYS  39           HZ2      LYS  39   5.276   3.853  15.645
  339    HZ3  LYS  39           HZ3      LYS  39   5.459   4.864  14.300
  340    H    PHE  40           HN       PHE  40   6.933   4.245   7.383
  341    HA   PHE  40           HA       PHE  40   9.650   5.350   7.126
  342    HB2  PHE  40           HB2      PHE  40   8.673   3.140   5.790
  343    HB3  PHE  40           HB1      PHE  40   8.410   4.441   4.633
  344    HD1  PHE  40           HD1      PHE  40  11.039   2.986   6.829
  345    HD2  PHE  40           HD2      PHE  40  10.136   5.113   3.254
  346    HE1  PHE  40           HE1      PHE  40  13.405   2.857   6.156
  347    HE2  PHE  40           HE2      PHE  40  12.498   4.989   2.576
  348    HZ   PHE  40           HZ       PHE  40  14.136   3.861   4.026
  349    H    LEU  41           HN       LEU  41   6.550   6.169   7.388
  350    HA   LEU  41           HA       LEU  41   5.941   7.825   5.225
  351    HB2  LEU  41           HB2      LEU  41   5.169   8.222   8.113
  352    HB3  LEU  41           HB1      LEU  41   4.376   8.947   6.727
  353    HG   LEU  41           HG       LEU  41   4.488   5.974   7.236
  354   HD11  LEU  41          HD11      LEU  41   2.266   7.930   7.799
  355   HD12  LEU  41          HD12      LEU  41   3.234   7.079   9.004
  356   HD13  LEU  41          HD13      LEU  41   2.160   6.175   7.938
  357   HD21  LEU  41          HD21      LEU  41   2.876   7.643   5.315
  358   HD22  LEU  41          HD22      LEU  41   2.674   5.913   5.579
  359   HD23  LEU  41          HD23      LEU  41   4.179   6.531   4.903
  360    H    GLU  42           HN       GLU  42   7.692   8.519   8.202
  361    HA   GLU  42           HA       GLU  42   8.149  11.276   7.436
  362    HB2  GLU  42           HB2      GLU  42   9.471  11.315   9.588
  363    HB3  GLU  42           HB1      GLU  42   7.762  10.936   9.755
  364    HG2  GLU  42           HG2      GLU  42   8.566   8.469   9.660
  365    HG3  GLU  42           HG1      GLU  42  10.136   9.153  10.076
  366    H    GLU  43           HN       GLU  43   9.517   8.365   6.683
  367    HA   GLU  43           HA       GLU  43  12.245   9.417   6.454
  368    HB2  GLU  43           HB2      GLU  43  11.101   6.635   6.180
  369    HB3  GLU  43           HB1      GLU  43  12.769   7.029   5.794
  370    HG2  GLU  43           HG2      GLU  43  11.483   7.419   8.485
  371    HG3  GLU  43           HG1      GLU  43  12.498   6.050   8.033
  372    H    HIS  44           HN       HIS  44   9.484   9.367   4.732
  373    HA   HIS  44           HA       HIS  44  10.672   8.799   2.139
  374    HB2  HIS  44           HB2      HIS  44   8.445   7.893   2.649
  375    HB3  HIS  44           HB1      HIS  44   7.834   9.526   2.897
  376    HD1  HIS  44           HD1      HIS  44   6.976  10.730   0.827
  377    HD2  HIS  44           HD2      HIS  44   9.205   7.330  -0.050
  378    HE1  HIS  44           HE1      HIS  44   6.769  10.367  -1.666
  379    HA   PRO  45           HA       PRO  45  11.384  13.195   1.662
  380    HB2  PRO  45           HB2      PRO  45  12.651  13.080  -0.706
  381    HB3  PRO  45           HB1      PRO  45  13.433  12.555   0.793
  382    HG2  PRO  45           HG2      PRO  45  12.157  10.900  -1.337
  383    HG3  PRO  45           HG1      PRO  45  13.666  10.614  -0.448
  384    HD2  PRO  45           HD2      PRO  45  11.299   9.391   0.159
  385    HD3  PRO  45           HD1      PRO  45  12.587   9.690   1.342
  386    H    GLY  46           HN       GLY  46  10.124  14.753   0.786
  387    HA2  GLY  46           HA2      GLY  46   9.077  15.658  -1.248
  388    HA3  GLY  46           HA1      GLY  46   8.475  14.035  -1.562
  389    H    GLY  47           HN       GLY  47   7.941  13.772   1.410
  390    HA2  GLY  47           HA2      GLY  47   6.377  15.297   2.765
  391    HA3  GLY  47           HA1      GLY  47   5.369  15.188   1.332
  392    H    GLU  48           HN       GLU  48   4.393  14.460   3.756
  393    HA   GLU  48           HA       GLU  48   4.316  11.518   3.631
  394    HB2  GLU  48           HB2      GLU  48   3.435  11.722   6.011
  395    HB3  GLU  48           HB1      GLU  48   5.131  12.122   5.767
  396    HG2  GLU  48           HG2      GLU  48   4.706  14.445   5.939
  397    HG3  GLU  48           HG1      GLU  48   2.965  14.206   5.830
  398    H    GLU  49           HN       GLU  49   2.528  14.434   3.359
  399    HA   GLU  49           HA       GLU  49  -0.076  13.563   3.920
  400    HB2  GLU  49           HB2      GLU  49   0.772  15.945   3.499
  401    HB3  GLU  49           HB1      GLU  49   0.630  15.577   1.786
  402    HG2  GLU  49           HG2      GLU  49  -1.364  16.632   2.236
  403    HG3  GLU  49           HG1      GLU  49  -1.807  14.931   2.378
  404    H    VAL  50           HN       VAL  50   1.827  13.515   0.959
  405    HA   VAL  50           HA       VAL  50  -0.188  12.544  -0.749
  406    HB   VAL  50           HB       VAL  50   1.708  11.861  -2.248
  407   HG11  VAL  50          HG11      VAL  50   2.481  14.183  -2.639
  408   HG12  VAL  50          HG12      VAL  50   1.738  14.656  -1.112
  409   HG13  VAL  50          HG13      VAL  50   0.734  14.064  -2.434
  410   HG21  VAL  50          HG21      VAL  50   3.387  11.285  -0.622
  411   HG22  VAL  50          HG22      VAL  50   3.356  12.915   0.052
  412   HG23  VAL  50          HG23      VAL  50   3.981  12.646  -1.576
  413    H    LEU  51           HN       LEU  51   1.583  10.967   1.701
  414    HA   LEU  51           HA       LEU  51   1.332   8.341   0.478
  415    HB2  LEU  51           HB2      LEU  51   2.365   9.122   3.206
  416    HB3  LEU  51           HB1      LEU  51   2.445   7.518   2.501
  417    HG   LEU  51           HG       LEU  51   3.875   9.970   1.469
  418   HD11  LEU  51          HD11      LEU  51   4.946   7.499   2.810
  419   HD12  LEU  51          HD12      LEU  51   4.763   9.073   3.583
  420   HD13  LEU  51          HD13      LEU  51   5.884   8.873   2.236
  421   HD21  LEU  51          HD21      LEU  51   3.779   7.128   0.485
  422   HD22  LEU  51          HD22      LEU  51   5.055   8.263   0.039
  423   HD23  LEU  51          HD23      LEU  51   3.378   8.599  -0.404
  424    H    ARG  52           HN       ARG  52   0.054  10.089   3.310
  425    HA   ARG  52           HA       ARG  52  -1.549   7.916   4.177
  426    HB2  ARG  52           HB2      ARG  52  -2.762   9.701   5.534
  427    HB3  ARG  52           HB1      ARG  52  -1.055   9.459   5.858
  428    HG2  ARG  52           HG2      ARG  52  -1.254  11.748   5.867
  429    HG3  ARG  52           HG1      ARG  52  -0.706  11.431   4.224
  430    HD2  ARG  52           HD2      ARG  52  -2.561  13.091   4.412
  431    HD3  ARG  52           HD1      ARG  52  -2.899  11.726   3.354
  432    HE   ARG  52           HE       ARG  52  -4.122  10.802   5.394
  433   HH11  ARG  52          HH11      ARG  52  -3.751  14.261   4.808
  434   HH12  ARG  52          HH12      ARG  52  -5.383  14.647   5.493
  435   HH21  ARG  52          HH21      ARG  52  -6.161  11.268   6.285
  436   HH22  ARG  52          HH22      ARG  52  -6.715  12.984   6.323
  437    H    GLU  53           HN       GLU  53  -2.062  10.323   1.736
  438    HA   GLU  53           HA       GLU  53  -4.931   9.888   1.718
  439    HB2  GLU  53           HB2      GLU  53  -4.997  11.442  -0.144
  440    HB3  GLU  53           HB1      GLU  53  -4.033  12.107   1.165
  441    HG2  GLU  53           HG2      GLU  53  -2.037  11.796   0.017
  442    HG3  GLU  53           HG1      GLU  53  -2.760  10.654  -1.116
  443    H    GLN  54           HN       GLN  54  -2.221   8.352   0.467
  444    HA   GLN  54           HA       GLN  54  -3.788   7.066  -1.661
  445    HB2  GLN  54           HB2      GLN  54  -0.802   7.181  -1.186
  446    HB3  GLN  54           HB1      GLN  54  -1.558   6.189  -2.425
  447    HG2  GLN  54           HG2      GLN  54  -1.798   9.184  -2.253
  448    HG3  GLN  54           HG1      GLN  54  -0.640   8.324  -3.266
  449   HE21  GLN  54          HE21      GLN  54  -3.992   9.101  -2.771
  450   HE22  GLN  54          HE22      GLN  54  -4.539   8.636  -4.343
  451    H    ALA  55           HN       ALA  55  -3.110   6.725   1.472
  452    HA   ALA  55           HA       ALA  55  -2.314   4.018   1.715
  453    HB1  ALA  55           HB1      ALA  55  -3.826   5.731   3.689
  454    HB2  ALA  55           HB2      ALA  55  -2.071   5.667   3.523
  455    HB3  ALA  55           HB3      ALA  55  -2.960   4.236   4.045
  456    H    GLY  56           HN       GLY  56  -3.451   2.213   1.503
  457    HA2  GLY  56           HA2      GLY  56  -5.308   0.804   1.513
  458    HA3  GLY  56           HA1      GLY  56  -6.321   2.191   1.897
  459    H    GLY  57           HN       GLY  57  -4.202   2.711  -0.684
  460    HA2  GLY  57           HA2      GLY  57  -6.122   1.822  -2.699
  461    HA3  GLY  57           HA1      GLY  57  -5.751   3.539  -2.620
  462    H    ASP  58           HN       ASP  58  -5.251   2.382  -4.939
  463    HA   ASP  58           HA       ASP  58  -2.471   1.509  -5.011
  464    HB2  ASP  58           HB2      ASP  58  -4.164   0.318  -6.392
  465    HB3  ASP  58           HB1      ASP  58  -4.437   1.804  -7.295
  466    H    ALA  59           HN       ALA  59  -0.817   2.756  -5.604
  467    HA   ALA  59           HA       ALA  59  -1.461   5.434  -6.663
  468    HB1  ALA  59           HB1      ALA  59   0.520   6.270  -5.471
  469    HB2  ALA  59           HB2      ALA  59   0.765   4.668  -4.779
  470    HB3  ALA  59           HB3      ALA  59  -0.682   5.589  -4.376
  471    H    THR  60           HN       THR  60  -0.693   2.837  -8.035
  472    HA   THR  60           HA       THR  60   1.946   2.988  -8.994
  473    HB   THR  60           HB       THR  60  -0.366   1.961 -10.625
  474    HG1  THR  60           HG1      THR  60  -0.714   0.943  -8.740
  475   HG21  THR  60          HG21      THR  60   1.950   2.033 -11.592
  476   HG22  THR  60          HG22      THR  60   1.227   0.425 -11.516
  477   HG23  THR  60          HG23      THR  60   2.441   0.904 -10.328
  478    H    GLU  61           HN       GLU  61  -1.050   4.394 -10.170
  479    HA   GLU  61           HA       GLU  61  -0.086   5.432 -12.592
  480    HB2  GLU  61           HB2      GLU  61  -2.081   7.003 -12.351
  481    HB3  GLU  61           HB1      GLU  61  -2.423   5.279 -12.340
  482    HG2  GLU  61           HG2      GLU  61  -2.361   5.458  -9.796
  483    HG3  GLU  61           HG1      GLU  61  -2.437   7.201 -10.042
  484    H    ASN  62           HN       ASN  62   0.453   6.454  -9.369
  485    HA   ASN  62           HA       ASN  62   1.304   9.123 -10.250
  486    HB2  ASN  62           HB2      ASN  62  -0.243   8.854  -8.257
  487    HB3  ASN  62           HB1      ASN  62   1.110   8.116  -7.409
  488   HD21  ASN  62          HD21      ASN  62   1.087   9.762  -5.874
  489   HD22  ASN  62          HD22      ASN  62   1.684  11.347  -6.218
  490    H    PHE  63           HN       PHE  63   2.403   6.170  -8.735
  491    HA   PHE  63           HA       PHE  63   4.989   6.877  -7.976
  492    HB2  PHE  63           HB2      PHE  63   3.776   4.752  -7.414
  493    HB3  PHE  63           HB1      PHE  63   4.067   4.202  -9.058
  494    HD1  PHE  63           HD2      PHE  63   5.631   4.976  -5.823
  495    HD2  PHE  63           HD1      PHE  63   6.191   3.362  -9.722
  496    HE1  PHE  63           HE2      PHE  63   7.786   4.017  -5.115
  497    HE2  PHE  63           HE1      PHE  63   8.338   2.397  -9.022
  498    HZ   PHE  63           HZ       PHE  63   9.143   2.725  -6.718
  499    H    GLU  64           HN       GLU  64   3.797   5.580 -11.056
  500    HA   GLU  64           HA       GLU  64   6.430   5.787 -12.256
  501    HB2  GLU  64           HB2      GLU  64   3.848   5.062 -13.628
  502    HB3  GLU  64           HB1      GLU  64   5.486   4.690 -14.149
  503    HG2  GLU  64           HG2      GLU  64   5.758   3.226 -12.193
  504    HG3  GLU  64           HG1      GLU  64   4.094   3.567 -11.725
  505    H    ASP  65           HN       ASP  65   4.024   7.942 -11.657
  506    HA   ASP  65           HA       ASP  65   4.189   9.383 -14.173
  507    HB2  ASP  65           HB2      ASP  65   2.068   9.188 -12.755
  508    HB3  ASP  65           HB1      ASP  65   2.827  10.336 -11.656
  509    H    VAL  66           HN       VAL  66   5.088   9.855 -10.780
  510    HA   VAL  66           HA       VAL  66   6.433  12.335 -11.314
  511    HB   VAL  66           HB       VAL  66   6.599  10.554  -8.872
  512   HG11  VAL  66          HG11      VAL  66   8.481  12.100  -9.025
  513   HG12  VAL  66          HG12      VAL  66   7.393  12.563  -7.719
  514   HG13  VAL  66          HG13      VAL  66   7.368  13.449  -9.242
  515   HG21  VAL  66          HG21      VAL  66   4.321  11.262  -9.258
  516   HG22  VAL  66          HG22      VAL  66   4.844  12.934  -9.461
  517   HG23  VAL  66          HG23      VAL  66   4.991  12.149  -7.889
  518    H    GLY  67           HN       GLY  67   7.362   8.954 -11.047
  519    HA2  GLY  67           HA2      GLY  67   9.267   8.041 -12.120
  520    HA3  GLY  67           HA1      GLY  67   9.987   9.645 -12.148
  521    H    HIS  68           HN       HIS  68  10.767   6.868 -11.073
  522    HA   HIS  68           HA       HIS  68  11.761   7.862  -8.498
  523    HB2  HIS  68           HB2      HIS  68  10.248   5.349  -9.041
  524    HB3  HIS  68           HB1      HIS  68  11.537   5.300  -7.845
  525    HD1  HIS  68           HD1      HIS  68   8.236   7.101  -8.492
  526    HD2  HIS  68           HD2      HIS  68  10.915   6.291  -5.412
  527    HE1  HIS  68           HE1      HIS  68   7.124   7.875  -6.357
  528    H    SER  69           HN       SER  69  13.720   6.837  -7.773
  529    HA   SER  69           HA       SER  69  15.524   6.341  -9.932
  530    HB2  SER  69           HB2      SER  69  16.957   5.769  -7.693
  531    HB3  SER  69           HB1      SER  69  16.719   7.399  -8.320
  532    HG   SER  69           HG       SER  69  15.533   7.856  -6.647
  533    H    THR  70           HN       THR  70  16.931   4.463 -10.072
  534    HA   THR  70           HA       THR  70  15.513   2.045 -10.154
  535    HB   THR  70           HB       THR  70  18.491   2.017 -10.071
  536    HG1  THR  70           HG1      THR  70  18.456   2.898 -12.247
  537   HG21  THR  70          HG21      THR  70  16.528   0.877 -12.063
  538   HG22  THR  70          HG22      THR  70  17.096   0.015 -10.635
  539   HG23  THR  70          HG23      THR  70  18.237   0.474 -11.897
  540    H    ASP  71           HN       ASP  71  17.575   3.454  -7.701
  541    HA   ASP  71           HA       ASP  71  17.814   1.004  -6.200
  542    HB2  ASP  71           HB2      ASP  71  19.518   2.884  -6.202
  543    HB3  ASP  71           HB1      ASP  71  18.387   3.802  -5.215
  544    H    ALA  72           HN       ALA  72  15.664   3.720  -6.333
  545    HA   ALA  72           HA       ALA  72  14.475   3.442  -3.779
  546    HB1  ALA  72           HB1      ALA  72  13.272   4.621  -6.283
  547    HB2  ALA  72           HB2      ALA  72  14.276   5.491  -5.125
  548    HB3  ALA  72           HB3      ALA  72  12.702   4.866  -4.633
  549    H    ARG  73           HN       ARG  73  13.565   2.222  -6.992
  550    HA   ARG  73           HA       ARG  73  11.202   0.931  -6.132
  551    HB2  ARG  73           HB2      ARG  73  11.414  -0.364  -8.290
  552    HB3  ARG  73           HB1      ARG  73  11.400   1.384  -8.454
  553    HG2  ARG  73           HG2      ARG  73  13.202   1.139  -9.731
  554    HG3  ARG  73           HG1      ARG  73  14.083   0.794  -8.242
  555    HD2  ARG  73           HD2      ARG  73  14.618  -1.006  -9.616
  556    HD3  ARG  73           HD1      ARG  73  13.319  -1.636  -8.603
  557    HE   ARG  73           HE       ARG  73  12.509  -0.514 -11.158
  558   HH11  ARG  73          HH11      ARG  73  13.340  -3.389  -9.294
  559   HH12  ARG  73          HH12      ARG  73  12.540  -4.507 -10.475
  560   HH21  ARG  73          HH21      ARG  73  11.500  -1.899 -12.669
  561   HH22  ARG  73          HH22      ARG  73  11.511  -3.677 -12.350
  562    H    GLU  74           HN       GLU  74  14.533   0.029  -5.941
  563    HA   GLU  74           HA       GLU  74  13.924  -2.764  -5.432
  564    HB2  GLU  74           HB2      GLU  74  16.503  -1.204  -5.490
  565    HB3  GLU  74           HB1      GLU  74  16.424  -2.891  -5.000
  566    HG2  GLU  74           HG2      GLU  74  15.778  -1.724  -7.692
  567    HG3  GLU  74           HG1      GLU  74  17.069  -2.850  -7.276
  568    H    LEU  75           HN       LEU  75  14.059   0.117  -3.706
  569    HA   LEU  75           HA       LEU  75  14.895  -0.980  -1.179
  570    HB2  LEU  75           HB2      LEU  75  15.221   1.409  -1.817
  571    HB3  LEU  75           HB1      LEU  75  13.479   1.622  -1.780
  572    HG   LEU  75           HG       LEU  75  13.579   0.924   0.663
  573   HD11  LEU  75          HD11      LEU  75  15.756   1.267   1.767
  574   HD12  LEU  75          HD12      LEU  75  16.516   1.372   0.177
  575   HD13  LEU  75          HD13      LEU  75  15.742  -0.128   0.690
  576   HD21  LEU  75          HD21      LEU  75  14.331   3.152   1.394
  577   HD22  LEU  75          HD22      LEU  75  13.237   3.223   0.013
  578   HD23  LEU  75          HD23      LEU  75  14.970   3.443  -0.223
  579    H    SER  76           HN       SER  76  11.895  -0.171  -2.813
  580    HA   SER  76           HA       SER  76  10.179  -0.740  -0.619
  581    HB2  SER  76           HB2      SER  76   8.595  -1.017  -2.824
  582    HB3  SER  76           HB1      SER  76   8.999   0.532  -2.081
  583    HG   SER  76           HG       SER  76   9.844  -0.555  -4.473
  584    H    LYS  77           HN       LYS  77  11.987  -2.721  -2.626
  585    HA   LYS  77           HA       LYS  77  10.288  -4.910  -3.065
  586    HB2  LYS  77           HB2      LYS  77  12.573  -4.414  -4.086
  587    HB3  LYS  77           HB1      LYS  77  13.256  -5.104  -2.622
  588    HG2  LYS  77           HG2      LYS  77  12.187  -7.225  -3.081
  589    HG3  LYS  77           HG1      LYS  77  11.394  -6.540  -4.502
  590    HD2  LYS  77           HD2      LYS  77  13.624  -6.089  -5.473
  591    HD3  LYS  77           HD1      LYS  77  14.360  -6.888  -4.085
  592    HE2  LYS  77           HE2      LYS  77  13.431  -8.981  -4.682
  593    HE3  LYS  77           HE1      LYS  77  12.345  -8.244  -5.859
  594    HZ1  LYS  77           HZ1      LYS  77  14.245  -9.340  -6.904
  595    HZ2  LYS  77           HZ2      LYS  77  15.307  -8.313  -6.077
  596    HZ3  LYS  77           HZ3      LYS  77  14.237  -7.676  -7.222
  597    H    THR  78           HN       THR  78  12.005  -3.873  -0.226
  598    HA   THR  78           HA       THR  78  11.532  -6.444   1.084
  599    HB   THR  78           HB       THR  78  13.746  -5.223   1.301
  600    HG1  THR  78           HG1      THR  78  13.556  -5.462   3.804
  601   HG21  THR  78          HG21      THR  78  12.872  -2.958   1.577
  602   HG22  THR  78          HG22      THR  78  13.885  -3.415   2.942
  603   HG23  THR  78          HG23      THR  78  12.131  -3.423   3.110
  604    H    PHE  79           HN       PHE  79   9.805  -3.719   0.507
  605    HA   PHE  79           HA       PHE  79   8.607  -3.521   3.161
  606    HB2  PHE  79           HB2      PHE  79   8.182  -1.914   0.641
  607    HB3  PHE  79           HB1      PHE  79   7.263  -1.665   2.119
  608    HD1  PHE  79           HD1      PHE  79   9.774  -2.218   3.933
  609    HD2  PHE  79           HD2      PHE  79   9.012   0.327   0.610
  610    HE1  PHE  79           HE1      PHE  79  11.508  -0.672   4.728
  611    HE2  PHE  79           HE2      PHE  79  10.750   1.878   1.396
  612    HZ   PHE  79           HZ       PHE  79  12.002   1.380   3.459
  613    H    ILE  80           HN       ILE  80   8.131  -5.300   0.350
  614    HA   ILE  80           HA       ILE  80   5.264  -5.334   0.394
  615    HB   ILE  80           HB       ILE  80   6.345  -5.806  -1.704
  616   HG12  ILE  80          HG12      ILE  80   5.176  -8.422  -0.750
  617   HG13  ILE  80          HG11      ILE  80   4.191  -7.000  -1.075
  618   HG21  ILE  80          HG21      ILE  80   8.439  -6.704  -1.076
  619   HG22  ILE  80          HG22      ILE  80   7.620  -7.962  -2.002
  620   HG23  ILE  80          HG23      ILE  80   7.687  -8.064  -0.243
  621   HD11  ILE  80          HD11      ILE  80   4.164  -8.526  -2.957
  622   HD12  ILE  80          HD12      ILE  80   5.923  -8.450  -3.065
  623   HD13  ILE  80          HD13      ILE  80   4.957  -7.013  -3.398
  624    H    ILE  81           HN       ILE  81   4.007  -6.421   1.720
  625    HA   ILE  81           HA       ILE  81   5.144  -8.729   3.158
  626    HB   ILE  81           HB       ILE  81   3.769  -8.263   5.057
  627   HG12  ILE  81          HG12      ILE  81   1.871  -7.291   3.586
  628   HG13  ILE  81          HG11      ILE  81   2.083  -6.658   5.210
  629   HG21  ILE  81          HG21      ILE  81   5.143  -5.753   4.117
  630   HG22  ILE  81          HG22      ILE  81   5.868  -7.089   5.015
  631   HG23  ILE  81          HG23      ILE  81   4.639  -6.077   5.778
  632   HD11  ILE  81          HD11      ILE  81   3.335  -4.745   4.232
  633   HD12  ILE  81          HD12      ILE  81   1.649  -4.845   3.725
  634   HD13  ILE  81          HD13      ILE  81   2.930  -5.364   2.631
  635    H    GLY  82           HN       GLY  82   2.944  -7.800   0.847
  636    HA2  GLY  82           HA2      GLY  82   1.820 -10.365   0.626
  637    HA3  GLY  82           HA1      GLY  82   0.673  -9.318   1.447
  638    H    GLU  83           HN       GLU  83  -0.514 -10.043  -0.539
  639    HA   GLU  83           HA       GLU  83  -0.187  -8.005  -2.624
  640    HB2  GLU  83           HB2      GLU  83  -0.359 -10.971  -2.969
  641    HB3  GLU  83           HB1      GLU  83  -1.073  -9.925  -4.187
  642    HG2  GLU  83           HG2      GLU  83   1.173  -8.786  -4.326
  643    HG3  GLU  83           HG1      GLU  83   1.800 -10.117  -3.356
  644    H    LEU  84           HN       LEU  84  -2.199  -8.048  -4.082
  645    HA   LEU  84           HA       LEU  84  -4.526  -7.863  -2.355
  646    HB2  LEU  84           HB2      LEU  84  -3.788  -6.881  -5.065
  647    HB3  LEU  84           HB1      LEU  84  -5.489  -7.143  -4.744
  648    HG   LEU  84           HG       LEU  84  -4.982  -4.832  -4.354
  649   HD11  LEU  84          HD11      LEU  84  -5.848  -4.548  -2.185
  650   HD12  LEU  84          HD12      LEU  84  -5.173  -6.076  -1.628
  651   HD13  LEU  84          HD13      LEU  84  -6.514  -6.071  -2.771
  652   HD21  LEU  84          HD21      LEU  84  -2.597  -4.982  -4.000
  653   HD22  LEU  84          HD22      LEU  84  -2.848  -5.820  -2.471
  654   HD23  LEU  84          HD23      LEU  84  -3.346  -4.138  -2.647
  655    H    HIS  85           HN       HIS  85  -6.418  -9.009  -2.653
  656    HA   HIS  85           HA       HIS  85  -6.243 -11.672  -3.460
  657    HB2  HIS  85           HB2      HIS  85  -8.261  -9.931  -2.393
  658    HB3  HIS  85           HB1      HIS  85  -8.953 -10.869  -3.710
  659    HD1  HIS  85           HD1      HIS  85  -9.687 -13.188  -3.172
  660    HD2  HIS  85           HD2      HIS  85  -7.048 -11.650  -0.330
  661    HE1  HIS  85           HE1      HIS  85  -9.626 -14.872  -1.299
  662    HE2  HIS  85           HE2      HIS  85  -8.075 -13.899   0.431
  663    HA   PRO  86           HA       PRO  86  -6.396 -11.449  -7.890
  664    HB2  PRO  86           HB2      PRO  86  -7.678 -13.885  -8.309
  665    HB3  PRO  86           HB1      PRO  86  -5.933 -13.672  -8.122
  666    HG2  PRO  86           HG2      PRO  86  -7.944 -14.543  -6.119
  667    HG3  PRO  86           HG1      PRO  86  -6.263 -15.069  -6.334
  668    HD2  PRO  86           HD2      PRO  86  -6.974 -13.387  -4.368
  669    HD3  PRO  86           HD1      PRO  86  -5.406 -13.253  -5.193
  670    H    ASP  87           HN       ASP  87  -9.236 -12.395  -6.043
  671    HA   ASP  87           HA       ASP  87 -11.178 -11.933  -8.031
  672    HB2  ASP  87           HB2      ASP  87 -11.778 -11.464  -5.129
  673    HB3  ASP  87           HB1      ASP  87 -12.758 -12.260  -6.357
  674    H    ASP  88           HN       ASP  88  -9.539  -9.875  -5.760
  675    HA   ASP  88           HA       ASP  88 -11.167  -7.558  -6.491
  676    HB2  ASP  88           HB2      ASP  88  -8.996  -7.965  -4.422
  677    HB3  ASP  88           HB1      ASP  88  -9.714  -6.396  -4.769
  678    H    ARG  89           HN       ARG  89  -8.943  -9.116  -8.034
  679    HA   ARG  89           HA       ARG  89  -7.276  -6.786  -8.702
  680    HB2  ARG  89           HB2      ARG  89  -6.176  -8.904  -7.822
  681    HB3  ARG  89           HB1      ARG  89  -6.653  -9.667  -9.332
  682    HG2  ARG  89           HG2      ARG  89  -5.353  -7.961 -10.559
  683    HG3  ARG  89           HG1      ARG  89  -4.812  -7.306  -9.011
  684    HD2  ARG  89           HD2      ARG  89  -4.327 -10.098 -10.037
  685    HD3  ARG  89           HD1      ARG  89  -3.137  -8.806  -9.939
  686    HE   ARG  89           HE       ARG  89  -4.413  -9.587  -7.448
  687   HH11  ARG  89          HH11      ARG  89  -1.634  -9.817  -9.587
  688   HH12  ARG  89          HH12      ARG  89  -0.547 -10.448  -8.292
  689   HH21  ARG  89          HH21      ARG  89  -3.067 -10.375  -5.773
  690   HH22  ARG  89          HH22      ARG  89  -1.335 -10.763  -6.166
  691    H    SER  90           HN       SER  90  -8.686  -9.689 -10.292
  692    HA   SER  90           HA       SER  90  -9.005  -8.007 -12.697
  693    HB2  SER  90           HB2      SER  90  -8.494 -10.989 -12.594
  694    HB3  SER  90           HB1      SER  90  -8.673 -10.017 -14.056
  695    HG   SER  90           HG       SER  90  -6.832  -8.756 -13.123
  696    H    LYS  91           HN       LYS  91 -10.898  -8.889 -10.360
  697    HA   LYS  91           HA       LYS  91 -13.065  -9.703 -12.184
  698    HB2  LYS  91           HB2      LYS  91 -12.874 -10.466  -9.268
  699    HB3  LYS  91           HB1      LYS  91 -14.107 -10.976 -10.413
  700    HG2  LYS  91           HG2      LYS  91 -12.311 -12.111 -11.723
  701    HG3  LYS  91           HG1      LYS  91 -11.194 -11.732 -10.413
  702    HD2  LYS  91           HD2      LYS  91 -12.947 -12.904  -8.905
  703    HD3  LYS  91           HD1      LYS  91 -13.550 -13.584 -10.416
  704    HE2  LYS  91           HE2      LYS  91 -10.737 -13.835  -9.351
  705    HE3  LYS  91           HE1      LYS  91 -11.967 -15.097  -9.338
  706    HZ1  LYS  91           HZ1      LYS  91 -12.001 -14.944 -11.794
  707    HZ2  LYS  91           HZ2      LYS  91 -10.519 -15.464 -11.170
  708    HZ3  LYS  91           HZ3      LYS  91 -10.690 -13.874 -11.721
  709    H    LEU  92           HN       LEU  92 -12.615  -8.349  -8.920
  710    HA   LEU  92           HA       LEU  92 -13.536  -6.580  -7.846
  711    HB2  LEU  92           HB2      LEU  92 -13.906  -5.657 -10.683
  712    HB3  LEU  92           HB1      LEU  92 -14.471  -4.703  -9.327
  713    HG   LEU  92           HG       LEU  92 -12.408  -3.760  -9.850
  714   HD11  LEU  92          HD11      LEU  92 -10.984  -4.169  -7.985
  715   HD12  LEU  92          HD12      LEU  92 -11.674  -5.772  -7.738
  716   HD13  LEU  92          HD13      LEU  92 -12.654  -4.336  -7.443
  717   HD21  LEU  92          HD21      LEU  92 -11.341  -6.556 -10.167
  718   HD22  LEU  92          HD22      LEU  92 -10.349  -5.102 -10.209
  719   HD23  LEU  92          HD23      LEU  92 -11.590  -5.355 -11.431
  720    H    SER  93           HN       SER  93 -15.163  -8.932  -8.704
  721    HA   SER  93           HA       SER  93 -17.834  -7.863  -9.005
  722    HB2  SER  93           HB2      SER  93 -17.132 -10.753  -8.524
  723    HB3  SER  93           HB1      SER  93 -18.508 -10.088  -9.400
  724    HG   SER  93           HG       SER  93 -16.704  -9.172 -10.811
  725    H    LYS  94           HN       LYS  94 -17.314  -6.714  -6.824
  726    HA   LYS  94           HA       LYS  94 -18.678  -8.243  -4.753
  727    HB2  LYS  94           HB2      LYS  94 -15.898  -7.160  -4.546
  728    HB3  LYS  94           HB1      LYS  94 -16.923  -7.146  -3.119
  729    HG2  LYS  94           HG2      LYS  94 -17.032  -9.465  -3.012
  730    HG3  LYS  94           HG1      LYS  94 -16.566  -9.660  -4.702
  731    HD2  LYS  94           HD2      LYS  94 -14.695 -10.310  -3.391
  732    HD3  LYS  94           HD1      LYS  94 -14.311  -8.732  -4.076
  733    HE2  LYS  94           HE2      LYS  94 -15.606  -8.300  -1.598
  734    HE3  LYS  94           HE1      LYS  94 -14.372  -9.530  -1.343
  735    HZ1  LYS  94           HZ1      LYS  94 -13.259  -7.531  -1.011
  736    HZ2  LYS  94           HZ2      LYS  94 -14.039  -6.763  -2.302
  737    HZ3  LYS  94           HZ3      LYS  94 -12.853  -7.926  -2.616
  738    HA   PRO  95           HA       PRO  95 -20.710  -4.304  -4.458
  739    HB2  PRO  95           HB2      PRO  95 -22.211  -4.815  -2.264
  740    HB3  PRO  95           HB1      PRO  95 -22.569  -5.523  -3.845
  741    HG2  PRO  95           HG2      PRO  95 -21.178  -6.751  -1.507
  742    HG3  PRO  95           HG1      PRO  95 -22.388  -7.457  -2.600
  743    HD2  PRO  95           HD2      PRO  95 -19.724  -7.939  -2.833
  744    HD3  PRO  95           HD1      PRO  95 -20.839  -7.942  -4.215
  745    H    MET  96           HN       MET  96 -20.975  -2.508  -2.912
  746    HA   MET  96           HA       MET  96 -18.989  -2.556  -0.742
  747    HB2  MET  96           HB2      MET  96 -18.061  -1.364  -2.686
  748    HB3  MET  96           HB1      MET  96 -19.436  -0.270  -2.663
  749    HG2  MET  96           HG2      MET  96 -18.771   0.488  -0.423
  750    HG3  MET  96           HG1      MET  96 -17.365  -0.570  -0.502
  751    HE1  MET  96           HE1      MET  96 -19.204   2.472  -2.032
  752    HE2  MET  96           HE2      MET  96 -18.856   1.592  -3.520
  753    HE3  MET  96           HE3      MET  96 -18.037   3.117  -3.188
  754    H    GLU  97           HN       GLU  97 -21.467  -0.349  -2.065
  755    HA   GLU  97           HA       GLU  97 -23.195   0.774  -1.132
  756    HB2  GLU  97           HB2      GLU  97 -23.024  -1.534   0.788
  757    HB3  GLU  97           HB1      GLU  97 -24.215  -0.258   0.984
  758    HG2  GLU  97           HG2      GLU  97 -25.028  -0.754  -1.318
  759    HG3  GLU  97           HG1      GLU  97 -23.928  -2.132  -1.348
  760    H    THR  98           HN       THR  98 -22.545   2.734  -0.530
  761    HA   THR  98           HA       THR  98 -21.696   3.064   2.246
  762    HB   THR  98           HB       THR  98 -19.691   3.064   0.621
  763    HG1  THR  98           HG1      THR  98 -19.563   3.826   2.759
  764   HG21  THR  98          HG21      THR  98 -20.725   5.854   0.076
  765   HG22  THR  98          HG22      THR  98 -20.733   4.528  -1.087
  766   HG23  THR  98          HG23      THR  98 -19.200   5.166  -0.490
  767    H    LEU  99           HN       LEU  99 -21.577   5.600   2.671
  768    HA   LEU  99           HA       LEU  99 -22.820   7.456   3.054
  769    HB2  LEU  99           HB2      LEU  99 -22.638   7.149   0.176
  770    HB3  LEU  99           HB1      LEU  99 -24.098   8.001   0.637
  771    HG   LEU  99           HG       LEU  99 -21.308   8.807   1.470
  772   HD11  LEU  99          HD11      LEU  99 -21.599   9.081  -0.923
  773   HD12  LEU  99          HD12      LEU  99 -21.597  10.653  -0.121
  774   HD13  LEU  99          HD13      LEU  99 -23.118   9.938  -0.658
  775   HD21  LEU  99          HD21      LEU  99 -22.914   9.542   3.089
  776   HD22  LEU  99          HD22      LEU  99 -24.001  10.114   1.826
  777   HD23  LEU  99          HD23      LEU  99 -22.462  10.928   2.099
  778    H    ILE 100           HN       ILE 100 -24.111   5.585   4.178
  779    HA   ILE 100           HA       ILE 100 -26.799   5.340   3.064
  780    HB   ILE 100           HB       ILE 100 -27.203   3.739   4.917
  781   HG12  ILE 100          HG12      ILE 100 -24.237   3.864   5.465
  782   HG13  ILE 100          HG11      ILE 100 -25.393   4.810   6.398
  783   HG21  ILE 100          HG21      ILE 100 -24.853   3.234   3.106
  784   HG22  ILE 100          HG22      ILE 100 -26.551   2.859   2.805
  785   HG23  ILE 100          HG23      ILE 100 -25.660   1.977   4.046
  786   HD11  ILE 100          HD11      ILE 100 -24.785   2.727   7.523
  787   HD12  ILE 100          HD12      ILE 100 -25.399   1.807   6.148
  788   HD13  ILE 100          HD13      ILE 100 -26.502   2.776   7.125
  789    H    THR 101           HN       THR 101 -25.086   6.725   5.789
  790    HA   THR 101           HA       THR 101 -27.583   8.057   6.606
  791    HB   THR 101           HB       THR 101 -25.899   8.216   8.799
  792    HG1  THR 101           HG1      THR 101 -24.950   6.263   9.057
  793   HG21  THR 101          HG21      THR 101 -27.455   6.632   9.839
  794   HG22  THR 101          HG22      THR 101 -28.054   6.172   8.243
  795   HG23  THR 101          HG23      THR 101 -28.314   7.810   8.843
  796    H    THR 102           HN       THR 102 -27.379  10.220   7.381
  797    HA   THR 102           HA       THR 102 -25.669  11.852   5.875
  798    HB   THR 102           HB       THR 102 -26.578  13.311   8.117
  799    HG1  THR 102           HG1      THR 102 -28.506  12.494   8.578
  800   HG21  THR 102          HG21      THR 102 -26.483  14.109   5.803
  801   HG22  THR 102          HG22      THR 102 -28.100  14.320   6.478
  802   HG23  THR 102          HG23      THR 102 -27.774  12.993   5.360
  803    H    VAL 103           HN       VAL 103 -23.600  12.318   6.194
  804    HA   VAL 103           HA       VAL 103 -22.481  12.024   8.900
  805    HB   VAL 103           HB       VAL 103 -20.254  11.863   7.698
  806   HG11  VAL 103          HG11      VAL 103 -22.296   9.707   7.172
  807   HG12  VAL 103          HG12      VAL 103 -21.361   9.920   8.653
  808   HG13  VAL 103          HG13      VAL 103 -20.544   9.498   7.148
  809   HG21  VAL 103          HG21      VAL 103 -20.287  11.187   5.350
  810   HG22  VAL 103          HG22      VAL 103 -20.953  12.806   5.554
  811   HG23  VAL 103          HG23      VAL 103 -22.030  11.436   5.294
  812    H    ASP 104           HN       ASP 104 -23.822  14.342   7.459
  813    HA   ASP 104           HA       ASP 104 -21.804  16.337   8.160
  814    HB2  ASP 104           HB2      ASP 104 -22.006  17.556   6.177
  815    HB3  ASP 104           HB1      ASP 104 -22.013  15.895   5.594
  816    HHB  HEM 400           HB       HEM 400  11.786   5.145  -1.970
  817    HHC  HEM 400           HC       HEM 400   5.500   4.820  -2.615
  818    HHD  HEM 400           HD       HEM 400   5.409  10.819  -4.660
  819    HMA  HEM 400          HMA1      HEM 400  14.079   5.852  -2.973
  820   HMAA  HEM 400          HMA2      HEM 400  13.821   6.363  -1.307
  821   HMAB  HEM 400          HMA3      HEM 400  14.851   7.314  -2.371
  822    HAA  HEM 400          HAA1      HEM 400  14.336  10.007  -2.525
  823   HAAA  HEM 400          HAA2      HEM 400  13.668  10.496  -4.073
  824    HBA  HEM 400          HBA1      HEM 400  14.709   8.059  -4.720
  825   HBAA  HEM 400          HBA2      HEM 400  15.840   8.590  -3.475
  826    HMB  HEM 400          HMB1      HEM 400  10.607   2.395  -2.214
  827   HMBA  HEM 400          HMB2      HEM 400   9.710   2.345  -0.690
  828   HMBB  HEM 400          HMB3      HEM 400  11.094   3.422  -0.878
  829    HAB  HEM 400           HAB      HEM 400   6.644   2.344  -2.482
  830    HBB  HEM 400          HBB1      HEM 400   7.512   2.777   0.489
  831   HBBA  HEM 400          HBB2      HEM 400   6.343   1.438  -0.240
  832    HMC  HEM 400          HMC1      HEM 400   2.362   6.800  -3.349
  833   HMCA  HEM 400          HMC2      HEM 400   3.366   5.670  -2.440
  834   HMCB  HEM 400          HMC3      HEM 400   3.234   5.540  -4.194
  835    HAC  HEM 400           HAC      HEM 400   3.248   9.739  -5.193
  836    HBC  HEM 400          HBC1      HEM 400   2.038   8.735  -2.491
  837   HBCA  HEM 400          HBC2      HEM 400   1.256   9.905  -3.798
  838    HMD  HEM 400          HMD1      HEM 400   6.159  12.583  -5.819
  839   HMDA  HEM 400          HMD2      HEM 400   7.531  13.696  -5.850
  840   HMDB  HEM 400          HMD3      HEM 400   6.571  13.497  -4.381
  841    HAD  HEM 400          HAD1      HEM 400   9.496  13.996  -5.124
  842   HADA  HEM 400          HAD2      HEM 400  10.796  13.260  -4.200
  843    HBD  HEM 400          HBD1      HEM 400  10.552  12.026  -6.818
  844   HBDA  HEM 400          HBD2      HEM 400  11.951  12.789  -6.063
  845    HHA  HEM 400           HA       HEM 400  11.717  11.083  -4.157
  Start of MODEL    6
    1    H1   MET   1           HT1      MET   1  21.031 -13.141  16.937
    2    H2   MET   1           HT2      MET   1  22.002 -13.330  18.305
    3    H3   MET   1           HT3      MET   1  21.197 -11.867  18.034
    4    HA   MET   1           HA       MET   1  19.926 -14.478  18.597
    5    HB2  MET   1           HB2      MET   1  21.022 -13.457  20.558
    6    HB3  MET   1           HB1      MET   1  20.118 -11.974  20.285
    7    HG2  MET   1           HG2      MET   1  18.041 -13.534  20.478
    8    HG3  MET   1           HG1      MET   1  19.170 -14.608  21.302
    9    HE1  MET   1           HE1      MET   1  20.471 -13.940  23.547
   10    HE2  MET   1           HE2      MET   1  20.346 -12.351  24.295
   11    HE3  MET   1           HE3      MET   1  21.100 -12.519  22.714
   12    H    ALA   2           HN       ALA   2  19.453 -10.977  18.105
   13    HA   ALA   2           HA       ALA   2  16.632 -11.528  17.498
   14    HB1  ALA   2           HB1      ALA   2  17.010  -9.859  19.223
   15    HB2  ALA   2           HB2      ALA   2  16.278  -9.122  17.799
   16    HB3  ALA   2           HB3      ALA   2  17.998  -8.915  18.110
   17    H    ALA   3           HN       ALA   3  17.989 -12.441  15.488
   18    HA   ALA   3           HA       ALA   3  17.678 -10.394  13.408
   19    HB1  ALA   3           HB1      ALA   3  19.664 -11.266  12.245
   20    HB2  ALA   3           HB2      ALA   3  19.987 -12.322  13.619
   21    HB3  ALA   3           HB3      ALA   3  20.058 -10.573  13.818
   22    H    GLN   4           HN       GLN   4  16.593 -11.060  11.653
   23    HA   GLN   4           HA       GLN   4  16.404 -13.863  10.971
   24    HB2  GLN   4           HB2      GLN   4  13.889 -13.778  10.924
   25    HB3  GLN   4           HB1      GLN   4  14.598 -13.795  12.531
   26    HG2  GLN   4           HG2      GLN   4  14.271 -11.375  12.700
   27    HG3  GLN   4           HG1      GLN   4  13.545 -11.367  11.092
   28   HE21  GLN   4          HE21      GLN   4  12.441 -10.603  13.695
   29   HE22  GLN   4          HE22      GLN   4  11.018 -11.563  13.911
   30    H    SER   5           HN       SER   5  15.151 -14.143   8.916
   31    HA   SER   5           HA       SER   5  14.739 -11.785   7.299
   32    HB2  SER   5           HB2      SER   5  16.817 -13.815   6.436
   33    HB3  SER   5           HB1      SER   5  16.339 -12.359   5.565
   34    HG   SER   5           HG       SER   5  17.050 -11.648   8.025
   35    H    ASP   6           HN       ASP   6  12.692 -12.346   6.767
   36    HA   ASP   6           HA       ASP   6  12.373 -14.708   5.090
   37    HB2  ASP   6           HB2      ASP   6  11.795 -15.403   7.425
   38    HB3  ASP   6           HB1      ASP   6  10.517 -14.190   7.420
   39    H    LYS   7           HN       LYS   7  10.999 -14.393   3.440
   40    HA   LYS   7           HA       LYS   7   9.397 -11.916   3.457
   41    HB2  LYS   7           HB2      LYS   7  10.468 -13.230   0.962
   42    HB3  LYS   7           HB1      LYS   7   9.854 -11.596   1.153
   43    HG2  LYS   7           HG2      LYS   7  12.386 -12.581   2.445
   44    HG3  LYS   7           HG1      LYS   7  12.332 -11.778   0.873
   45    HD2  LYS   7           HD2      LYS   7  11.463  -9.774   1.866
   46    HD3  LYS   7           HD1      LYS   7  11.261 -10.570   3.427
   47    HE2  LYS   7           HE2      LYS   7  13.589 -10.700   3.779
   48    HE3  LYS   7           HE1      LYS   7  13.944 -10.324   2.093
   49    HZ1  LYS   7           HZ1      LYS   7  14.347  -8.451   3.609
   50    HZ2  LYS   7           HZ2      LYS   7  12.707  -8.432   4.023
   51    HZ3  LYS   7           HZ3      LYS   7  13.183  -8.086   2.438
   52    H    ASP   8           HN       ASP   8   7.437 -12.798   4.060
   53    HA   ASP   8           HA       ASP   8   6.434 -15.046   2.452
   54    HB2  ASP   8           HB2      ASP   8   6.440 -15.430   4.883
   55    HB3  ASP   8           HB1      ASP   8   5.432 -14.005   5.111
   56    H    VAL   9           HN       VAL   9   5.081 -14.574   0.886
   57    HA   VAL   9           HA       VAL   9   3.756 -11.990   0.849
   58    HB   VAL   9           HB       VAL   9   4.784 -12.596  -1.218
   59   HG11  VAL   9          HG11      VAL   9   3.178 -15.141  -1.134
   60   HG12  VAL   9          HG12      VAL   9   4.924 -14.988  -0.958
   61   HG13  VAL   9          HG13      VAL   9   4.158 -14.601  -2.496
   62   HG21  VAL   9          HG21      VAL   9   2.875 -11.386  -1.721
   63   HG22  VAL   9          HG22      VAL   9   1.795 -12.692  -1.236
   64   HG23  VAL   9          HG23      VAL   9   2.706 -12.815  -2.742
   65    H    LYS  10           HN       LYS  10   1.870 -11.771   1.805
   66    HA   LYS  10           HA       LYS  10   0.051 -14.076   1.949
   67    HB2  LYS  10           HB2      LYS  10   0.944 -12.361   3.919
   68    HB3  LYS  10           HB1      LYS  10  -0.646 -11.716   3.530
   69    HG2  LYS  10           HG2      LYS  10  -1.710 -13.737   4.105
   70    HG3  LYS  10           HG1      LYS  10  -0.179 -14.614   4.151
   71    HD2  LYS  10           HD2      LYS  10  -0.736 -12.302   5.981
   72    HD3  LYS  10           HD1      LYS  10  -1.223 -13.948   6.387
   73    HE2  LYS  10           HE2      LYS  10   1.600 -13.123   5.709
   74    HE3  LYS  10           HE1      LYS  10   0.974 -13.268   7.349
   75    HZ1  LYS  10           HZ1      LYS  10   0.353 -15.632   6.048
   76    HZ2  LYS  10           HZ2      LYS  10   1.494 -15.401   7.272
   77    HZ3  LYS  10           HZ3      LYS  10   1.967 -15.290   5.647
   78    H    TYR  11           HN       TYR  11  -2.174 -13.783   1.451
   79    HA   TYR  11           HA       TYR  11  -2.608 -11.536  -0.386
   80    HB2  TYR  11           HB2      TYR  11  -3.672 -14.340  -0.350
   81    HB3  TYR  11           HB1      TYR  11  -4.558 -13.067  -1.187
   82    HD1  TYR  11           HD2      TYR  11  -1.217 -14.688  -0.989
   83    HD2  TYR  11           HD1      TYR  11  -3.930 -12.418  -3.346
   84    HE1  TYR  11           HE2      TYR  11   0.278 -14.923  -2.923
   85    HE2  TYR  11           HE1      TYR  11  -2.439 -12.638  -5.288
   86    HH   TYR  11           HH       TYR  11   0.017 -13.052  -5.693
   87    H    TYR  12           HN       TYR  12  -3.798  -9.961   0.295
   88    HA   TYR  12           HA       TYR  12  -5.758 -10.464   2.431
   89    HB2  TYR  12           HB2      TYR  12  -4.437  -7.863   1.612
   90    HB3  TYR  12           HB1      TYR  12  -5.574  -8.063   2.943
   91    HD1  TYR  12           HD2      TYR  12  -4.883  -9.335   4.970
   92    HD2  TYR  12           HD1      TYR  12  -2.138  -8.435   1.845
   93    HE1  TYR  12           HE2      TYR  12  -3.008  -9.833   6.482
   94    HE2  TYR  12           HE1      TYR  12  -0.254  -8.929   3.348
   95    HH   TYR  12           HH       TYR  12  -0.791 -10.116   6.651
   96    H    THR  13           HN       THR  13  -7.689  -8.995   2.350
   97    HA   THR  13           HA       THR  13  -8.749  -8.968  -0.371
   98    HB   THR  13           HB       THR  13 -10.851  -8.333   1.267
   99    HG1  THR  13           HG1      THR  13 -10.499  -9.079   3.231
  100   HG21  THR  13          HG21      THR  13 -11.514 -10.686   1.028
  101   HG22  THR  13          HG22      THR  13  -9.869 -11.104   0.556
  102   HG23  THR  13          HG23      THR  13 -10.840 -10.058  -0.476
  103    H    LEU  14           HN       LEU  14 -10.105  -7.147  -1.037
  104    HA   LEU  14           HA       LEU  14  -8.821  -4.675  -0.781
  105    HB2  LEU  14           HB2      LEU  14 -10.267  -5.310  -2.672
  106    HB3  LEU  14           HB1      LEU  14 -11.667  -5.227  -1.619
  107    HG   LEU  14           HG       LEU  14 -11.126  -2.783  -1.267
  108   HD11  LEU  14          HD11      LEU  14  -8.800  -2.831  -1.972
  109   HD12  LEU  14          HD12      LEU  14  -9.731  -1.698  -2.951
  110   HD13  LEU  14          HD13      LEU  14  -9.291  -3.275  -3.606
  111   HD21  LEU  14          HD21      LEU  14 -12.113  -2.112  -3.413
  112   HD22  LEU  14          HD22      LEU  14 -12.928  -3.512  -2.719
  113   HD23  LEU  14          HD23      LEU  14 -11.794  -3.723  -4.054
  114    H    GLU  15           HN       GLU  15 -11.633  -6.003   0.877
  115    HA   GLU  15           HA       GLU  15 -12.216  -3.590   2.312
  116    HB2  GLU  15           HB2      GLU  15 -13.704  -5.153   3.671
  117    HB3  GLU  15           HB1      GLU  15 -14.064  -5.003   1.958
  118    HG2  GLU  15           HG2      GLU  15 -12.276  -7.212   2.835
  119    HG3  GLU  15           HG1      GLU  15 -14.002  -7.339   3.169
  120    H    GLU  16           HN       GLU  16  -9.710  -5.699   2.607
  121    HA   GLU  16           HA       GLU  16  -9.547  -5.519   5.531
  122    HB2  GLU  16           HB2      GLU  16  -9.084  -7.721   4.790
  123    HB3  GLU  16           HB1      GLU  16  -8.084  -7.157   3.464
  124    HG2  GLU  16           HG2      GLU  16  -6.668  -8.122   5.113
  125    HG3  GLU  16           HG1      GLU  16  -6.412  -6.379   5.127
  126    H    ILE  17           HN       ILE  17  -7.649  -4.788   2.612
  127    HA   ILE  17           HA       ILE  17  -5.534  -3.511   3.966
  128    HB   ILE  17           HB       ILE  17  -5.073  -2.433   1.695
  129   HG12  ILE  17          HG12      ILE  17  -6.317  -4.067  -0.064
  130   HG13  ILE  17          HG11      ILE  17  -7.599  -3.884   1.128
  131   HG21  ILE  17          HG21      ILE  17  -4.268  -4.568   0.763
  132   HG22  ILE  17          HG22      ILE  17  -5.218  -5.429   1.976
  133   HG23  ILE  17          HG23      ILE  17  -3.892  -4.379   2.476
  134   HD11  ILE  17          HD11      ILE  17  -8.045  -1.807   0.477
  135   HD12  ILE  17          HD12      ILE  17  -7.107  -2.201  -0.962
  136   HD13  ILE  17          HD13      ILE  17  -6.340  -1.365   0.390
  137    H    LYS  18           HN       LYS  18  -8.544  -2.193   2.603
  138    HA   LYS  18           HA       LYS  18  -7.704   0.501   3.282
  139    HB2  LYS  18           HB2      LYS  18  -9.733   1.260   2.256
  140    HB3  LYS  18           HB1      LYS  18  -8.999   0.051   1.216
  141    HG2  LYS  18           HG2      LYS  18 -10.643  -1.527   1.681
  142    HG3  LYS  18           HG1      LYS  18 -11.151  -0.698   3.154
  143    HD2  LYS  18           HD2      LYS  18 -12.803  -0.370   1.404
  144    HD3  LYS  18           HD1      LYS  18 -12.017   1.161   1.789
  145    HE2  LYS  18           HE2      LYS  18 -10.447   0.630  -0.164
  146    HE3  LYS  18           HE1      LYS  18 -11.630  -0.591  -0.622
  147    HZ1  LYS  18           HZ1      LYS  18 -12.048   1.436  -1.809
  148    HZ2  LYS  18           HZ2      LYS  18 -12.110   2.326  -0.374
  149    HZ3  LYS  18           HZ3      LYS  18 -13.307   1.184  -0.709
  150    H    LYS  19           HN       LYS  19  -8.445  -1.810   5.211
  151    HA   LYS  19           HA       LYS  19 -10.065  -0.114   6.990
  152    HB2  LYS  19           HB2      LYS  19 -11.184  -2.250   6.078
  153    HB3  LYS  19           HB1      LYS  19 -10.054  -3.126   7.102
  154    HG2  LYS  19           HG2      LYS  19 -12.003  -2.973   8.370
  155    HG3  LYS  19           HG1      LYS  19 -10.956  -1.714   9.023
  156    HD2  LYS  19           HD2      LYS  19 -13.021  -0.651   8.823
  157    HD3  LYS  19           HD1      LYS  19 -12.164  -0.157   7.361
  158    HE2  LYS  19           HE2      LYS  19 -14.393  -0.759   6.743
  159    HE3  LYS  19           HE1      LYS  19 -13.302  -2.010   6.149
  160    HZ1  LYS  19           HZ1      LYS  19 -13.911  -3.402   8.005
  161    HZ2  LYS  19           HZ2      LYS  19 -15.304  -2.926   7.180
  162    HZ3  LYS  19           HZ3      LYS  19 -14.897  -2.189   8.644
  163    H    HIS  20           HN       HIS  20  -7.122  -1.402   6.384
  164    HA   HIS  20           HA       HIS  20  -6.437  -1.687   9.229
  165    HB2  HIS  20           HB2      HIS  20  -5.909  -3.406   7.154
  166    HB3  HIS  20           HB1      HIS  20  -4.411  -2.488   7.261
  167    HD1  HIS  20           HD1      HIS  20  -5.725  -5.507   8.424
  168    HD2  HIS  20           HD2      HIS  20  -3.693  -2.381  10.284
  169    HE1  HIS  20           HE1      HIS  20  -4.728  -6.486  10.520
  170    HE2  HIS  20           HE2      HIS  20  -3.508  -4.583  11.634
  171    H    ASN  21           HN       ASN  21  -6.252   0.410   6.635
  172    HA   ASN  21           HA       ASN  21  -3.659   1.503   6.979
  173    HB2  ASN  21           HB2      ASN  21  -4.585   3.454   5.692
  174    HB3  ASN  21           HB1      ASN  21  -4.782   1.896   4.903
  175   HD21  ASN  21          HD21      ASN  21  -6.251   4.285   4.375
  176   HD22  ASN  21          HD22      ASN  21  -7.911   3.947   4.721
  177    H    HIS  22           HN       HIS  22  -3.080   2.170   8.938
  178    HA   HIS  22           HA       HIS  22  -4.571   4.390  10.114
  179    HB2  HIS  22           HB2      HIS  22  -3.931   1.798  11.507
  180    HB3  HIS  22           HB1      HIS  22  -4.142   3.290  12.416
  181    HD1  HIS  22           HD1      HIS  22  -6.565   4.460  12.117
  182    HD2  HIS  22           HD2      HIS  22  -6.259   0.500  10.881
  183    HE1  HIS  22           HE1      HIS  22  -8.927   3.628  11.919
  184    HE2  HIS  22           HE2      HIS  22  -8.726   1.232  11.173
  185    H    SER  23           HN       SER  23  -3.115   4.729  12.406
  186    HA   SER  23           HA       SER  23  -0.899   6.153  11.553
  187    HB2  SER  23           HB2      SER  23  -0.349   5.707  14.178
  188    HB3  SER  23           HB1      SER  23  -1.505   6.906  13.596
  189    HG   SER  23           HG       SER  23  -2.880   5.811  14.754
  190    H    LYS  24           HN       LYS  24  -0.896   3.047  13.321
  191    HA   LYS  24           HA       LYS  24   1.898   2.690  12.492
  192    HB2  LYS  24           HB2      LYS  24   1.931   0.884  14.234
  193    HB3  LYS  24           HB1      LYS  24   1.659   2.505  14.851
  194    HG2  LYS  24           HG2      LYS  24  -0.876   1.394  14.331
  195    HG3  LYS  24           HG1      LYS  24   0.068   0.171  15.186
  196    HD2  LYS  24           HD2      LYS  24   0.689   1.996  16.827
  197    HD3  LYS  24           HD1      LYS  24  -0.542   2.988  16.049
  198    HE2  LYS  24           HE2      LYS  24  -2.254   1.401  16.628
  199    HE3  LYS  24           HE1      LYS  24  -1.052   0.285  17.272
  200    HZ1  LYS  24           HZ1      LYS  24  -1.641   2.987  18.353
  201    HZ2  LYS  24           HZ2      LYS  24  -0.521   1.887  18.986
  202    HZ3  LYS  24           HZ3      LYS  24  -2.172   1.525  19.022
  203    H    SER  25           HN       SER  25  -0.397   2.242  10.743
  204    HA   SER  25           HA       SER  25   0.379  -0.363   9.782
  205    HB2  SER  25           HB2      SER  25  -2.531   0.158  10.438
  206    HB3  SER  25           HB1      SER  25  -1.871  -1.305   9.715
  207    HG   SER  25           HG       SER  25  -0.515  -0.890  11.935
  208    H    THR  26           HN       THR  26   0.801   2.170   8.790
  209    HA   THR  26           HA       THR  26  -1.167   2.894   6.849
  210    HB   THR  26           HB       THR  26   1.610   3.842   6.484
  211    HG1  THR  26           HG1      THR  26   0.097   4.515   8.822
  212   HG21  THR  26          HG21      THR  26   0.464   6.019   6.387
  213   HG22  THR  26          HG22      THR  26  -1.054   5.232   6.811
  214   HG23  THR  26          HG23      THR  26  -0.261   4.849   5.286
  215    H    TRP  27           HN       TRP  27  -1.459   0.951   5.672
  216    HA   TRP  27           HA       TRP  27   0.778  -0.068   4.114
  217    HB2  TRP  27           HB2      TRP  27  -2.079  -0.971   4.466
  218    HB3  TRP  27           HB1      TRP  27  -0.986  -1.715   3.305
  219    HD1  TRP  27           HD1      TRP  27   1.181  -0.980   6.088
  220    HE1  TRP  27           HE1      TRP  27   1.437  -2.985   7.673
  221    HE3  TRP  27           HE3      TRP  27  -2.770  -3.803   4.468
  222    HZ2  TRP  27           HZ2      TRP  27   0.140  -5.440   8.170
  223    HZ3  TRP  27           HZ3      TRP  27  -3.189  -5.969   5.554
  224    HH2  TRP  27           HH2      TRP  27  -1.762  -6.771   7.367
  225    H    LEU  28           HN       LEU  28   1.033   0.220   1.984
  226    HA   LEU  28           HA       LEU  28  -1.005   1.810   0.569
  227    HB2  LEU  28           HB2      LEU  28   1.586   2.580   1.193
  228    HB3  LEU  28           HB1      LEU  28   1.701   2.056  -0.473
  229    HG   LEU  28           HG       LEU  28  -0.424   4.002   0.365
  230   HD11  LEU  28          HD11      LEU  28   1.110   5.821  -0.252
  231   HD12  LEU  28          HD12      LEU  28   2.423   4.653  -0.393
  232   HD13  LEU  28          HD13      LEU  28   1.666   4.942   1.174
  233   HD21  LEU  28          HD21      LEU  28  -0.067   4.742  -2.004
  234   HD22  LEU  28          HD22      LEU  28  -0.708   3.108  -1.821
  235   HD23  LEU  28          HD23      LEU  28   0.997   3.349  -2.211
  236    H    ILE  29           HN       ILE  29  -1.358   1.288  -1.616
  237    HA   ILE  29           HA       ILE  29  -0.346  -1.366  -2.358
  238    HB   ILE  29           HB       ILE  29  -2.740   0.105  -3.462
  239   HG12  ILE  29          HG12      ILE  29  -2.667  -2.274  -1.600
  240   HG13  ILE  29          HG11      ILE  29  -2.963  -0.619  -1.076
  241   HG21  ILE  29          HG21      ILE  29  -3.303  -2.066  -4.475
  242   HG22  ILE  29          HG22      ILE  29  -1.770  -2.716  -3.890
  243   HG23  ILE  29          HG23      ILE  29  -1.780  -1.415  -5.084
  244   HD11  ILE  29          HD11      ILE  29  -4.955  -0.561  -2.531
  245   HD12  ILE  29          HD12      ILE  29  -5.045  -1.796  -1.277
  246   HD13  ILE  29          HD13      ILE  29  -4.670  -2.254  -2.937
  247    H    LEU  30           HN       LEU  30   1.164  -1.478  -3.813
  248    HA   LEU  30           HA       LEU  30   1.284   0.532  -5.954
  249    HB2  LEU  30           HB2      LEU  30   3.605  -0.620  -4.397
  250    HB3  LEU  30           HB1      LEU  30   3.775   0.335  -5.858
  251    HG   LEU  30           HG       LEU  30   2.458   1.376  -3.351
  252   HD11  LEU  30          HD11      LEU  30   4.590   2.622  -3.019
  253   HD12  LEU  30          HD12      LEU  30   5.323   1.599  -4.253
  254   HD13  LEU  30          HD13      LEU  30   4.717   0.886  -2.759
  255   HD21  LEU  30          HD21      LEU  30   3.503   2.730  -5.837
  256   HD22  LEU  30          HD22      LEU  30   2.899   3.562  -4.404
  257   HD23  LEU  30          HD23      LEU  30   1.814   2.555  -5.361
  258    H    HIS  31           HN       HIS  31   1.006  -0.437  -7.838
  259    HA   HIS  31           HA       HIS  31   1.073  -1.945  -9.535
  260    HB2  HIS  31           HB2      HIS  31   3.334  -3.044  -7.870
  261    HB3  HIS  31           HB1      HIS  31   2.773  -3.894  -9.303
  262    HD1  HIS  31           HD1      HIS  31   3.779  -3.190 -11.466
  263    HD2  HIS  31           HD2      HIS  31   4.280  -0.330  -8.483
  264    HE1  HIS  31           HE1      HIS  31   5.274  -1.425 -12.457
  265    HE2  HIS  31           HE2      HIS  31   5.520   0.321 -10.663
  266    H    HIS  32           HN       HIS  32  -0.689  -2.129  -7.280
  267    HA   HIS  32           HA       HIS  32  -2.397  -3.413  -6.551
  268    HB2  HIS  32           HB2      HIS  32  -1.417  -5.381  -8.628
  269    HB3  HIS  32           HB1      HIS  32  -2.915  -5.553  -7.720
  270    HD1  HIS  32           HD1      HIS  32  -2.274  -4.949 -10.928
  271    HD2  HIS  32           HD2      HIS  32  -4.068  -2.496  -8.094
  272    HE1  HIS  32           HE1      HIS  32  -3.663  -3.311 -12.234
  273    HE2  HIS  32           HE2      HIS  32  -4.599  -1.738 -10.511
  274    H    LYS  33           HN       LYS  33   0.373  -3.604  -5.474
  275    HA   LYS  33           HA       LYS  33   0.041  -6.115  -3.976
  276    HB2  LYS  33           HB2      LYS  33   2.626  -4.712  -4.682
  277    HB3  LYS  33           HB1      LYS  33   2.492  -6.168  -3.704
  278    HG2  LYS  33           HG2      LYS  33   1.553  -7.354  -5.638
  279    HG3  LYS  33           HG1      LYS  33   1.744  -5.895  -6.609
  280    HD2  LYS  33           HD2      LYS  33   4.175  -5.959  -6.172
  281    HD3  LYS  33           HD1      LYS  33   3.956  -7.464  -5.277
  282    HE2  LYS  33           HE2      LYS  33   3.061  -8.518  -7.302
  283    HE3  LYS  33           HE1      LYS  33   3.311  -7.014  -8.188
  284    HZ1  LYS  33           HZ1      LYS  33   5.698  -7.210  -7.678
  285    HZ2  LYS  33           HZ2      LYS  33   5.124  -8.495  -8.613
  286    HZ3  LYS  33           HZ3      LYS  33   5.411  -8.715  -6.961
  287    H    VAL  34           HN       VAL  34   0.685  -6.017  -1.728
  288    HA   VAL  34           HA       VAL  34   0.113  -3.368  -0.616
  289    HB   VAL  34           HB       VAL  34   0.291  -5.825   1.079
  290   HG11  VAL  34          HG11      VAL  34  -1.319  -4.691   2.435
  291   HG12  VAL  34          HG12      VAL  34  -1.598  -3.476   1.186
  292   HG13  VAL  34          HG13      VAL  34  -0.048  -3.536   2.028
  293   HG21  VAL  34          HG21      VAL  34  -1.061  -6.502  -0.844
  294   HG22  VAL  34          HG22      VAL  34  -2.104  -5.097  -0.604
  295   HG23  VAL  34          HG23      VAL  34  -2.038  -6.368   0.620
  296    H    TYR  35           HN       TYR  35   1.603  -2.178   0.355
  297    HA   TYR  35           HA       TYR  35   4.110  -3.479   1.211
  298    HB2  TYR  35           HB2      TYR  35   3.711  -0.773  -0.074
  299    HB3  TYR  35           HB1      TYR  35   5.217  -1.275   0.690
  300    HD1  TYR  35           HD1      TYR  35   2.969  -1.797  -2.171
  301    HD2  TYR  35           HD2      TYR  35   6.675  -2.875  -0.385
  302    HE1  TYR  35           HE1      TYR  35   3.673  -2.843  -4.278
  303    HE2  TYR  35           HE2      TYR  35   7.392  -3.923  -2.495
  304    HH   TYR  35           HH       TYR  35   5.740  -3.446  -5.426
  305    H    ASP  36           HN       ASP  36   4.838  -3.047   3.222
  306    HA   ASP  36           HA       ASP  36   3.160  -1.352   4.936
  307    HB2  ASP  36           HB2      ASP  36   3.539  -3.677   5.670
  308    HB3  ASP  36           HB1      ASP  36   5.275  -3.400   5.657
  309    H    LEU  37           HN       LEU  37   3.874   0.687   4.695
  310    HA   LEU  37           HA       LEU  37   6.709   1.194   5.314
  311    HB2  LEU  37           HB2      LEU  37   6.805   2.957   3.730
  312    HB3  LEU  37           HB1      LEU  37   6.080   1.600   2.897
  313    HG   LEU  37           HG       LEU  37   4.340   3.708   4.124
  314   HD11  LEU  37          HD11      LEU  37   5.655   3.845   1.415
  315   HD12  LEU  37          HD12      LEU  37   5.964   4.920   2.777
  316   HD13  LEU  37          HD13      LEU  37   4.382   4.918   1.996
  317   HD21  LEU  37          HD21      LEU  37   3.879   2.243   1.565
  318   HD22  LEU  37          HD22      LEU  37   2.712   2.918   2.700
  319   HD23  LEU  37          HD23      LEU  37   3.584   1.442   3.106
  320    H    THR  38           HN       THR  38   4.377   1.032   7.025
  321    HA   THR  38           HA       THR  38   3.258   3.470   7.707
  322    HB   THR  38           HB       THR  38   2.524   1.229   8.524
  323    HG1  THR  38           HG1      THR  38   2.210   3.509   9.611
  324   HG21  THR  38          HG21      THR  38   4.780   1.579  10.495
  325   HG22  THR  38          HG22      THR  38   4.683   0.341   9.243
  326   HG23  THR  38          HG23      THR  38   3.527   0.343  10.576
  327    H    LYS  39           HN       LYS  39   6.456   2.258   8.512
  328    HA   LYS  39           HA       LYS  39   6.843   4.629  10.209
  329    HB2  LYS  39           HB2      LYS  39   8.157   1.927  10.239
  330    HB3  LYS  39           HB1      LYS  39   8.943   3.320  10.971
  331    HG2  LYS  39           HG2      LYS  39   6.187   2.355  11.697
  332    HG3  LYS  39           HG1      LYS  39   7.657   1.925  12.569
  333    HD2  LYS  39           HD2      LYS  39   8.044   4.220  13.163
  334    HD3  LYS  39           HD1      LYS  39   6.713   4.757  12.141
  335    HE2  LYS  39           HE2      LYS  39   5.147   3.493  13.571
  336    HE3  LYS  39           HE1      LYS  39   6.494   3.054  14.619
  337    HZ1  LYS  39           HZ1      LYS  39   6.778   5.271  15.284
  338    HZ2  LYS  39           HZ2      LYS  39   5.106   5.026  15.324
  339    HZ3  LYS  39           HZ3      LYS  39   5.803   5.872  14.042
  340    H    PHE  40           HN       PHE  40   6.999   4.261   7.216
  341    HA   PHE  40           HA       PHE  40   9.731   5.314   6.867
  342    HB2  PHE  40           HB2      PHE  40   9.350   3.083   5.802
  343    HB3  PHE  40           HB1      PHE  40   8.093   3.810   4.814
  344    HD1  PHE  40           HD1      PHE  40  11.703   4.179   5.637
  345    HD2  PHE  40           HD2      PHE  40   8.628   4.630   2.729
  346    HE1  PHE  40           HE1      PHE  40  13.392   4.777   3.956
  347    HE2  PHE  40           HE2      PHE  40  10.312   5.237   1.040
  348    HZ   PHE  40           HZ       PHE  40  12.697   5.308   1.652
  349    H    LEU  41           HN       LEU  41   6.583   6.159   7.002
  350    HA   LEU  41           HA       LEU  41   6.151   7.750   4.728
  351    HB2  LEU  41           HB2      LEU  41   5.093   8.400   7.470
  352    HB3  LEU  41           HB1      LEU  41   4.362   8.760   5.919
  353    HG   LEU  41           HG       LEU  41   4.715   5.941   6.919
  354   HD11  LEU  41          HD11      LEU  41   3.376   7.200   8.532
  355   HD12  LEU  41          HD12      LEU  41   2.402   6.020   7.657
  356   HD13  LEU  41          HD13      LEU  41   2.311   7.729   7.231
  357   HD21  LEU  41          HD21      LEU  41   2.914   7.161   4.832
  358   HD22  LEU  41          HD22      LEU  41   2.952   5.461   5.299
  359   HD23  LEU  41          HD23      LEU  41   4.356   6.193   4.520
  360    H    GLU  42           HN       GLU  42   7.585   8.486   7.862
  361    HA   GLU  42           HA       GLU  42   8.016  11.251   7.218
  362    HB2  GLU  42           HB2      GLU  42   9.146  11.336   9.383
  363    HB3  GLU  42           HB1      GLU  42   7.581  10.546   9.506
  364    HG2  GLU  42           HG2      GLU  42   8.756   8.356   9.399
  365    HG3  GLU  42           HG1      GLU  42  10.285   9.230   9.479
  366    H    GLU  43           HN       GLU  43   9.707   8.354   6.641
  367    HA   GLU  43           HA       GLU  43  12.288   9.698   6.366
  368    HB2  GLU  43           HB2      GLU  43  11.563   6.766   6.109
  369    HB3  GLU  43           HB1      GLU  43  13.190   7.426   5.993
  370    HG2  GLU  43           HG2      GLU  43  12.949   8.279   8.312
  371    HG3  GLU  43           HG1      GLU  43  11.398   7.450   8.408
  372    H    HIS  44           HN       HIS  44   9.742   9.740   4.593
  373    HA   HIS  44           HA       HIS  44  10.914   8.903   2.057
  374    HB2  HIS  44           HB2      HIS  44   8.604   8.243   2.514
  375    HB3  HIS  44           HB1      HIS  44   8.158   9.930   2.741
  376    HD1  HIS  44           HD1      HIS  44   6.956  10.823   0.747
  377    HD2  HIS  44           HD2      HIS  44   9.785   7.950  -0.276
  378    HE1  HIS  44           HE1      HIS  44   6.832  10.563  -1.768
  379    HA   PRO  45           HA       PRO  45  12.245  13.162   1.516
  380    HB2  PRO  45           HB2      PRO  45  13.445  12.788  -0.891
  381    HB3  PRO  45           HB1      PRO  45  14.194  12.310   0.640
  382    HG2  PRO  45           HG2      PRO  45  12.735  10.623  -1.345
  383    HG3  PRO  45           HG1      PRO  45  14.229  10.273  -0.451
  384    HD2  PRO  45           HD2      PRO  45  11.833   9.272   0.292
  385    HD3  PRO  45           HD1      PRO  45  13.109   9.673   1.459
  386    H    GLY  46           HN       GLY  46   9.944  13.687   1.323
  387    HA2  GLY  46           HA2      GLY  46   9.336  15.150  -0.936
  388    HA3  GLY  46           HA1      GLY  46   8.601  13.571  -1.185
  389    H    GLY  47           HN       GLY  47   8.258  13.304   1.796
  390    HA2  GLY  47           HA2      GLY  47   6.959  14.782   3.363
  391    HA3  GLY  47           HA1      GLY  47   5.905  15.079   1.990
  392    H    GLU  48           HN       GLU  48   5.132  14.027   4.528
  393    HA   GLU  48           HA       GLU  48   4.565  11.205   3.994
  394    HB2  GLU  48           HB2      GLU  48   3.695  11.203   6.335
  395    HB3  GLU  48           HB1      GLU  48   5.390  11.653   6.214
  396    HG2  GLU  48           HG2      GLU  48   4.708  14.035   6.366
  397    HG3  GLU  48           HG1      GLU  48   3.052  13.501   6.643
  398    H    GLU  49           HN       GLU  49   3.151  14.292   3.822
  399    HA   GLU  49           HA       GLU  49   0.453  13.811   4.283
  400    HB2  GLU  49           HB2      GLU  49   1.977  15.946   3.408
  401    HB3  GLU  49           HB1      GLU  49   0.952  15.598   2.024
  402    HG2  GLU  49           HG2      GLU  49  -0.420  17.025   3.099
  403    HG3  GLU  49           HG1      GLU  49  -0.910  15.541   3.911
  404    H    VAL  50           HN       VAL  50   2.281  13.546   1.256
  405    HA   VAL  50           HA       VAL  50   0.094  12.752  -0.343
  406    HB   VAL  50           HB       VAL  50   1.812  12.000  -1.981
  407   HG11  VAL  50          HG11      VAL  50   2.769  14.231  -2.367
  408   HG12  VAL  50          HG12      VAL  50   2.245  14.719  -0.757
  409   HG13  VAL  50          HG13      VAL  50   1.050  14.299  -1.983
  410   HG21  VAL  50          HG21      VAL  50   4.183  12.423  -1.490
  411   HG22  VAL  50          HG22      VAL  50   3.506  11.192  -0.424
  412   HG23  VAL  50          HG23      VAL  50   3.759  12.833   0.171
  413    H    LEU  51           HN       LEU  51   2.023  10.996   1.895
  414    HA   LEU  51           HA       LEU  51   1.417   8.426   0.673
  415    HB2  LEU  51           HB2      LEU  51   2.910   9.115   3.199
  416    HB3  LEU  51           HB1      LEU  51   2.718   7.495   2.561
  417    HG   LEU  51           HG       LEU  51   4.181   9.751   1.188
  418   HD11  LEU  51          HD11      LEU  51   5.405   8.995   3.110
  419   HD12  LEU  51          HD12      LEU  51   6.182   8.384   1.652
  420   HD13  LEU  51          HD13      LEU  51   5.189   7.311   2.637
  421   HD21  LEU  51          HD21      LEU  51   4.965   7.935  -0.324
  422   HD22  LEU  51          HD22      LEU  51   3.244   8.290  -0.462
  423   HD23  LEU  51          HD23      LEU  51   3.781   6.862   0.424
  424    H    ARG  52           HN       ARG  52   0.592  10.254   3.594
  425    HA   ARG  52           HA       ARG  52  -0.887   8.233   4.853
  426    HB2  ARG  52           HB2      ARG  52  -1.707   9.905   6.327
  427    HB3  ARG  52           HB1      ARG  52  -0.060  10.350   5.913
  428    HG2  ARG  52           HG2      ARG  52  -0.841  12.369   5.431
  429    HG3  ARG  52           HG1      ARG  52  -1.610  11.645   4.015
  430    HD2  ARG  52           HD2      ARG  52  -3.338  12.782   5.129
  431    HD3  ARG  52           HD1      ARG  52  -3.560  11.088   5.565
  432    HE   ARG  52           HE       ARG  52  -3.119  11.628   7.746
  433   HH11  ARG  52          HH11      ARG  52  -2.125  14.262   5.645
  434   HH12  ARG  52          HH12      ARG  52  -1.667  15.343   7.012
  435   HH21  ARG  52          HH21      ARG  52  -2.592  12.968   9.519
  436   HH22  ARG  52          HH22      ARG  52  -1.957  14.626   9.195
  437    H    GLU  53           HN       GLU  53  -1.812  10.442   2.287
  438    HA   GLU  53           HA       GLU  53  -4.617   9.755   2.647
  439    HB2  GLU  53           HB2      GLU  53  -5.041  11.325   0.805
  440    HB3  GLU  53           HB1      GLU  53  -4.137  12.055   2.122
  441    HG2  GLU  53           HG2      GLU  53  -2.124  12.005   0.877
  442    HG3  GLU  53           HG1      GLU  53  -2.851  10.999  -0.380
  443    H    GLN  54           HN       GLN  54  -2.046   8.314   1.182
  444    HA   GLN  54           HA       GLN  54  -3.716   7.151  -0.945
  445    HB2  GLN  54           HB2      GLN  54  -0.714   7.240  -0.605
  446    HB3  GLN  54           HB1      GLN  54  -1.521   6.262  -1.822
  447    HG2  GLN  54           HG2      GLN  54  -1.757   9.253  -1.595
  448    HG3  GLN  54           HG1      GLN  54  -0.667   8.406  -2.691
  449   HE21  GLN  54          HE21      GLN  54  -2.853  10.249  -3.289
  450   HE22  GLN  54          HE22      GLN  54  -3.932   9.380  -4.324
  451    H    ALA  55           HN       ALA  55  -2.902   6.692   2.131
  452    HA   ALA  55           HA       ALA  55  -2.112   3.982   2.268
  453    HB1  ALA  55           HB1      ALA  55  -3.594   5.569   4.360
  454    HB2  ALA  55           HB2      ALA  55  -1.851   5.647   4.100
  455    HB3  ALA  55           HB3      ALA  55  -2.598   4.134   4.612
  456    H    GLY  56           HN       GLY  56  -3.266   2.215   1.906
  457    HA2  GLY  56           HA2      GLY  56  -5.138   0.805   2.060
  458    HA3  GLY  56           HA1      GLY  56  -6.139   2.205   2.421
  459    H    GLY  57           HN       GLY  57  -4.213   2.997  -0.129
  460    HA2  GLY  57           HA2      GLY  57  -6.132   1.976  -2.115
  461    HA3  GLY  57           HA1      GLY  57  -5.709   3.680  -2.066
  462    H    ASP  58           HN       ASP  58  -5.287   2.602  -4.397
  463    HA   ASP  58           HA       ASP  58  -2.529   1.631  -4.533
  464    HB2  ASP  58           HB2      ASP  58  -4.279   0.415  -5.824
  465    HB3  ASP  58           HB1      ASP  58  -4.590   1.882  -6.744
  466    H    ALA  59           HN       ALA  59  -0.926   2.974  -4.945
  467    HA   ALA  59           HA       ALA  59  -1.576   5.575  -6.181
  468    HB1  ALA  59           HB1      ALA  59   0.330   6.514  -4.980
  469    HB2  ALA  59           HB2      ALA  59   0.665   4.937  -4.264
  470    HB3  ALA  59           HB3      ALA  59  -0.827   5.788  -3.865
  471    H    THR  60           HN       THR  60  -0.818   2.968  -7.458
  472    HA   THR  60           HA       THR  60   1.826   3.024  -8.383
  473    HB   THR  60           HB       THR  60  -0.556   2.048  -9.969
  474    HG1  THR  60           HG1      THR  60  -0.809   0.910  -8.155
  475   HG21  THR  60          HG21      THR  60   1.071   0.404 -10.834
  476   HG22  THR  60          HG22      THR  60   2.343   1.201  -9.910
  477   HG23  THR  60          HG23      THR  60   1.529   2.063 -11.215
  478    H    GLU  61           HN       GLU  61  -1.053   4.702  -9.453
  479    HA   GLU  61           HA       GLU  61  -0.179   5.644 -11.926
  480    HB2  GLU  61           HB2      GLU  61  -1.862   7.459 -11.592
  481    HB3  GLU  61           HB1      GLU  61  -2.491   5.840 -11.337
  482    HG2  GLU  61           HG2      GLU  61  -2.513   6.128  -8.986
  483    HG3  GLU  61           HG1      GLU  61  -1.581   7.619  -9.094
  484    H    ASN  62           HN       ASN  62   0.147   7.106  -8.702
  485    HA   ASN  62           HA       ASN  62   1.512   9.424  -9.688
  486    HB2  ASN  62           HB2      ASN  62   0.150   9.190  -7.501
  487    HB3  ASN  62           HB1      ASN  62   1.610   8.464  -6.834
  488   HD21  ASN  62          HD21      ASN  62   0.155  11.355  -8.090
  489   HD22  ASN  62          HD22      ASN  62   1.350  12.457  -7.502
  490    H    PHE  63           HN       PHE  63   2.437   6.322  -8.383
  491    HA   PHE  63           HA       PHE  63   5.123   6.776  -7.814
  492    HB2  PHE  63           HB2      PHE  63   3.652   4.695  -7.384
  493    HB3  PHE  63           HB1      PHE  63   4.125   4.196  -9.000
  494    HD1  PHE  63           HD2      PHE  63   5.262   4.758  -5.570
  495    HD2  PHE  63           HD1      PHE  63   6.376   3.475  -9.471
  496    HE1  PHE  63           HE2      PHE  63   7.313   3.759  -4.650
  497    HE2  PHE  63           HE1      PHE  63   8.430   2.472  -8.559
  498    HZ   PHE  63           HZ       PHE  63   8.900   2.616  -6.146
  499    H    GLU  64           HN       GLU  64   3.607   5.769 -10.875
  500    HA   GLU  64           HA       GLU  64   6.169   5.868 -12.232
  501    HB2  GLU  64           HB2      GLU  64   4.858   5.213 -14.244
  502    HB3  GLU  64           HB1      GLU  64   4.692   4.099 -12.897
  503    HG2  GLU  64           HG2      GLU  64   2.524   5.112 -12.341
  504    HG3  GLU  64           HG1      GLU  64   2.692   6.191 -13.725
  505    H    ASP  65           HN       ASP  65   3.446   7.909 -11.709
  506    HA   ASP  65           HA       ASP  65   3.617   9.616 -13.929
  507    HB2  ASP  65           HB2      ASP  65   1.751   9.610 -12.274
  508    HB3  ASP  65           HB1      ASP  65   2.827  10.358 -11.099
  509    H    VAL  66           HN       VAL  66   5.065   9.881 -10.703
  510    HA   VAL  66           HA       VAL  66   6.621  12.188 -11.391
  511    HB   VAL  66           HB       VAL  66   6.989  10.328  -9.033
  512   HG11  VAL  66          HG11      VAL  66   8.873  11.844  -9.489
  513   HG12  VAL  66          HG12      VAL  66   8.068  12.213  -7.968
  514   HG13  VAL  66          HG13      VAL  66   7.773  13.219  -9.383
  515   HG21  VAL  66          HG21      VAL  66   4.687  11.192  -9.163
  516   HG22  VAL  66          HG22      VAL  66   5.321  12.836  -9.198
  517   HG23  VAL  66          HG23      VAL  66   5.564  11.827  -7.773
  518    H    GLY  67           HN       GLY  67   7.366   8.767 -10.801
  519    HA2  GLY  67           HA2      GLY  67   8.920   7.572 -12.185
  520    HA3  GLY  67           HA1      GLY  67   9.766   9.086 -12.478
  521    H    HIS  68           HN       HIS  68   9.983   6.239 -10.900
  522    HA   HIS  68           HA       HIS  68  11.526   7.410  -8.689
  523    HB2  HIS  68           HB2      HIS  68   9.929   4.875  -8.880
  524    HB3  HIS  68           HB1      HIS  68  11.224   5.031  -7.697
  525    HD1  HIS  68           HD1      HIS  68   7.873   6.573  -8.583
  526    HD2  HIS  68           HD2      HIS  68  10.639   6.496  -5.480
  527    HE1  HIS  68           HE1      HIS  68   6.768   7.714  -6.615
  528    H    SER  69           HN       SER  69  13.485   6.383  -8.081
  529    HA   SER  69           HA       SER  69  15.120   5.685 -10.281
  530    HB2  SER  69           HB2      SER  69  16.559   4.985  -8.042
  531    HB3  SER  69           HB1      SER  69  16.496   6.604  -8.738
  532    HG   SER  69           HG       SER  69  15.288   7.273  -7.132
  533    H    THR  70           HN       THR  70  16.464   3.697 -10.374
  534    HA   THR  70           HA       THR  70  14.831   1.390 -10.417
  535    HB   THR  70           HB       THR  70  17.766   0.996 -10.421
  536    HG1  THR  70           HG1      THR  70  16.408   2.750 -12.208
  537   HG21  THR  70          HG21      THR  70  15.608   0.312 -12.425
  538   HG22  THR  70          HG22      THR  70  16.124  -0.738 -11.108
  539   HG23  THR  70          HG23      THR  70  17.253  -0.320 -12.394
  540    H    ASP  71           HN       ASP  71  17.066   2.698  -8.075
  541    HA   ASP  71           HA       ASP  71  17.241   0.306  -6.500
  542    HB2  ASP  71           HB2      ASP  71  19.001   2.067  -6.489
  543    HB3  ASP  71           HB1      ASP  71  17.862   3.159  -5.705
  544    H    ALA  72           HN       ALA  72  15.261   3.203  -6.499
  545    HA   ALA  72           HA       ALA  72  14.093   3.041  -3.991
  546    HB1  ALA  72           HB1      ALA  72  12.814   3.979  -6.549
  547    HB2  ALA  72           HB2      ALA  72  13.833   4.950  -5.484
  548    HB3  ALA  72           HB3      ALA  72  12.272   4.359  -4.915
  549    H    ARG  73           HN       ARG  73  13.062   1.468  -7.008
  550    HA   ARG  73           HA       ARG  73  10.749   0.284  -5.845
  551    HB2  ARG  73           HB2      ARG  73  10.754  -1.139  -7.928
  552    HB3  ARG  73           HB1      ARG  73  10.701   0.597  -8.190
  553    HG2  ARG  73           HG2      ARG  73  12.381   0.320  -9.606
  554    HG3  ARG  73           HG1      ARG  73  13.403  -0.005  -8.206
  555    HD2  ARG  73           HD2      ARG  73  13.730  -1.817  -9.676
  556    HD3  ARG  73           HD1      ARG  73  12.672  -2.417  -8.404
  557    HE   ARG  73           HE       ARG  73  11.197  -1.425 -10.635
  558   HH11  ARG  73          HH11      ARG  73  13.047  -4.172  -9.431
  559   HH12  ARG  73          HH12      ARG  73  12.206  -5.345 -10.525
  560   HH21  ARG  73          HH21      ARG  73  10.099  -2.886 -12.008
  561   HH22  ARG  73          HH22      ARG  73  10.565  -4.627 -11.964
  562    H    GLU  74           HN       GLU  74  14.085  -0.602  -5.900
  563    HA   GLU  74           HA       GLU  74  13.585  -3.378  -5.246
  564    HB2  GLU  74           HB2      GLU  74  16.121  -1.728  -5.333
  565    HB3  GLU  74           HB1      GLU  74  16.084  -3.428  -4.887
  566    HG2  GLU  74           HG2      GLU  74  15.262  -2.261  -7.538
  567    HG3  GLU  74           HG1      GLU  74  16.742  -3.156  -7.198
  568    H    LEU  75           HN       LEU  75  14.315  -0.370  -3.655
  569    HA   LEU  75           HA       LEU  75  14.891  -1.459  -1.094
  570    HB2  LEU  75           HB2      LEU  75  15.652   0.756  -1.745
  571    HB3  LEU  75           HB1      LEU  75  13.997   1.305  -1.914
  572    HG   LEU  75           HG       LEU  75  13.689   0.905   0.545
  573   HD11  LEU  75          HD11      LEU  75  15.730   0.731   1.919
  574   HD12  LEU  75          HD12      LEU  75  16.678   0.502   0.449
  575   HD13  LEU  75          HD13      LEU  75  15.467  -0.691   0.911
  576   HD21  LEU  75          HD21      LEU  75  14.833   2.941   1.209
  577   HD22  LEU  75          HD22      LEU  75  14.140   3.124  -0.403
  578   HD23  LEU  75          HD23      LEU  75  15.871   2.842  -0.216
  579    H    SER  76           HN       SER  76  11.968  -0.238  -2.646
  580    HA   SER  76           HA       SER  76  10.334  -0.415  -0.324
  581    HB2  SER  76           HB2      SER  76   8.497  -0.480  -2.247
  582    HB3  SER  76           HB1      SER  76   9.366   1.001  -1.853
  583    HG   SER  76           HG       SER  76  10.578   0.797  -3.641
  584    H    LYS  77           HN       LYS  77  11.477  -2.697  -2.616
  585    HA   LYS  77           HA       LYS  77   9.423  -4.640  -2.373
  586    HB2  LYS  77           HB2      LYS  77  11.330  -4.417  -4.142
  587    HB3  LYS  77           HB1      LYS  77  12.265  -5.364  -2.992
  588    HG2  LYS  77           HG2      LYS  77  10.424  -7.069  -3.049
  589    HG3  LYS  77           HG1      LYS  77   9.732  -6.160  -4.396
  590    HD2  LYS  77           HD2      LYS  77  11.814  -6.457  -5.654
  591    HD3  LYS  77           HD1      LYS  77  12.488  -7.382  -4.308
  592    HE2  LYS  77           HE2      LYS  77  10.644  -9.003  -4.550
  593    HE3  LYS  77           HE1      LYS  77  10.071  -8.108  -5.956
  594    HZ1  LYS  77           HZ1      LYS  77  12.741  -9.380  -5.724
  595    HZ2  LYS  77           HZ2      LYS  77  12.126  -8.590  -7.085
  596    HZ3  LYS  77           HZ3      LYS  77  11.425 -10.033  -6.560
  597    H    THR  78           HN       THR  78  11.499  -3.531  -0.071
  598    HA   THR  78           HA       THR  78  11.831  -6.112   1.242
  599    HB   THR  78           HB       THR  78  13.562  -4.043   1.082
  600    HG1  THR  78           HG1      THR  78  13.674  -5.440   3.489
  601   HG21  THR  78          HG21      THR  78  12.163  -2.558   2.459
  602   HG22  THR  78          HG22      THR  78  13.714  -2.904   3.230
  603   HG23  THR  78          HG23      THR  78  12.250  -3.722   3.780
  604    H    PHE  79           HN       PHE  79   9.568  -3.724   1.015
  605    HA   PHE  79           HA       PHE  79   8.566  -4.145   3.756
  606    HB2  PHE  79           HB2      PHE  79   7.917  -1.943   1.784
  607    HB3  PHE  79           HB1      PHE  79   7.218  -2.103   3.392
  608    HD1  PHE  79           HD2      PHE  79   9.195  -2.448   5.257
  609    HD2  PHE  79           HD1      PHE  79   9.507  -0.323   1.588
  610    HE1  PHE  79           HE2      PHE  79  11.040  -1.113   6.194
  611    HE2  PHE  79           HE1      PHE  79  11.351   1.015   2.514
  612    HZ   PHE  79           HZ       PHE  79  12.119   0.623   4.819
  613    H    ILE  80           HN       ILE  80   8.269  -5.691   1.073
  614    HA   ILE  80           HA       ILE  80   5.451  -5.530   0.523
  615    HB   ILE  80           HB       ILE  80   6.954  -6.125  -1.290
  616   HG12  ILE  80          HG12      ILE  80   5.894  -8.466  -1.848
  617   HG13  ILE  80          HG11      ILE  80   4.939  -8.152  -0.403
  618   HG21  ILE  80          HG21      ILE  80   8.717  -7.217  -0.060
  619   HG22  ILE  80          HG22      ILE  80   8.134  -8.279  -1.341
  620   HG23  ILE  80          HG23      ILE  80   7.648  -8.563   0.331
  621   HD11  ILE  80          HD11      ILE  80   3.728  -7.449  -2.350
  622   HD12  ILE  80          HD12      ILE  80   5.079  -6.440  -2.869
  623   HD13  ILE  80          HD13      ILE  80   4.185  -6.035  -1.404
  624    H    ILE  81           HN       ILE  81   3.913  -6.438   1.713
  625    HA   ILE  81           HA       ILE  81   4.646  -8.733   3.406
  626    HB   ILE  81           HB       ILE  81   2.731  -8.227   4.810
  627   HG12  ILE  81          HG12      ILE  81   1.755  -6.856   2.586
  628   HG13  ILE  81          HG11      ILE  81   1.005  -6.946   4.172
  629   HG21  ILE  81          HG21      ILE  81   4.464  -5.808   4.335
  630   HG22  ILE  81          HG22      ILE  81   4.853  -7.191   5.359
  631   HG23  ILE  81          HG23      ILE  81   3.517  -6.123   5.791
  632   HD11  ILE  81          HD11      ILE  81   2.054  -4.876   4.823
  633   HD12  ILE  81          HD12      ILE  81   1.165  -4.660   3.318
  634   HD13  ILE  81          HD13      ILE  81   2.922  -4.800   3.290
  635    H    GLY  82           HN       GLY  82   2.894  -7.862   0.634
  636    HA2  GLY  82           HA2      GLY  82   2.184 -10.373  -0.119
  637    HA3  GLY  82           HA1      GLY  82   0.852  -9.865   0.905
  638    H    GLU  83           HN       GLU  83  -0.321 -10.259  -1.125
  639    HA   GLU  83           HA       GLU  83  -0.360  -7.828  -2.779
  640    HB2  GLU  83           HB2      GLU  83  -0.910 -10.612  -3.812
  641    HB3  GLU  83           HB1      GLU  83  -0.853  -9.130  -4.750
  642    HG2  GLU  83           HG2      GLU  83   1.555  -8.950  -4.252
  643    HG3  GLU  83           HG1      GLU  83   1.460 -10.490  -3.395
  644    H    LEU  84           HN       LEU  84  -2.490  -7.941  -4.162
  645    HA   LEU  84           HA       LEU  84  -4.667  -8.139  -2.252
  646    HB2  LEU  84           HB2      LEU  84  -4.123  -6.649  -4.704
  647    HB3  LEU  84           HB1      LEU  84  -5.731  -7.342  -4.696
  648    HG   LEU  84           HG       LEU  84  -5.762  -5.052  -3.869
  649   HD11  LEU  84          HD11      LEU  84  -6.976  -5.415  -1.810
  650   HD12  LEU  84          HD12      LEU  84  -6.274  -7.023  -1.649
  651   HD13  LEU  84          HD13      LEU  84  -7.373  -6.672  -2.982
  652   HD21  LEU  84          HD21      LEU  84  -3.475  -4.987  -2.985
  653   HD22  LEU  84          HD22      LEU  84  -3.969  -6.035  -1.655
  654   HD23  LEU  84          HD23      LEU  84  -4.660  -4.419  -1.809
  655    H    HIS  85           HN       HIS  85  -6.613  -9.287  -2.701
  656    HA   HIS  85           HA       HIS  85  -6.293 -11.902  -3.632
  657    HB2  HIS  85           HB2      HIS  85  -8.303 -10.437  -2.352
  658    HB3  HIS  85           HB1      HIS  85  -9.041 -10.977  -3.852
  659    HD1  HIS  85           HD1      HIS  85 -10.005 -13.291  -3.818
  660    HD2  HIS  85           HD2      HIS  85  -7.160 -12.697  -0.828
  661    HE1  HIS  85           HE1      HIS  85 -10.008 -15.390  -2.439
  662    HE2  HIS  85           HE2      HIS  85  -8.407 -14.943  -0.548
  663    HA   PRO  86           HA       PRO  86  -6.530 -11.689  -8.047
  664    HB2  PRO  86           HB2      PRO  86  -8.180 -13.891  -8.486
  665    HB3  PRO  86           HB1      PRO  86  -6.421 -13.947  -8.316
  666    HG2  PRO  86           HG2      PRO  86  -8.526 -14.514  -6.294
  667    HG3  PRO  86           HG1      PRO  86  -6.955 -15.304  -6.540
  668    HD2  PRO  86           HD2      PRO  86  -7.321 -13.566  -4.542
  669    HD3  PRO  86           HD1      PRO  86  -5.788 -13.634  -5.435
  670    H    ASP  87           HN       ASP  87  -9.484 -12.179  -6.207
  671    HA   ASP  87           HA       ASP  87 -11.314 -11.442  -8.237
  672    HB2  ASP  87           HB2      ASP  87 -11.723 -11.141  -5.258
  673    HB3  ASP  87           HB1      ASP  87 -12.961 -11.364  -6.489
  674    H    ASP  88           HN       ASP  88  -9.336  -9.662  -6.034
  675    HA   ASP  88           HA       ASP  88 -10.694  -7.142  -6.672
  676    HB2  ASP  88           HB2      ASP  88  -8.560  -7.786  -4.613
  677    HB3  ASP  88           HB1      ASP  88  -9.243  -6.185  -4.879
  678    H    ARG  89           HN       ARG  89  -8.855  -8.826  -8.393
  679    HA   ARG  89           HA       ARG  89  -7.024  -6.649  -9.130
  680    HB2  ARG  89           HB2      ARG  89  -5.936  -8.646  -7.923
  681    HB3  ARG  89           HB1      ARG  89  -6.264  -9.548  -9.394
  682    HG2  ARG  89           HG2      ARG  89  -4.949  -7.805 -10.638
  683    HG3  ARG  89           HG1      ARG  89  -4.492  -7.134  -9.073
  684    HD2  ARG  89           HD2      ARG  89  -3.875  -9.886 -10.136
  685    HD3  ARG  89           HD1      ARG  89  -2.733  -8.584  -9.815
  686    HE   ARG  89           HE       ARG  89  -4.245  -9.478  -7.517
  687   HH11  ARG  89          HH11      ARG  89  -1.268  -9.744  -9.397
  688   HH12  ARG  89          HH12      ARG  89  -0.374 -10.559  -8.055
  689   HH21  ARG  89          HH21      ARG  89  -3.114 -10.504  -5.797
  690   HH22  ARG  89          HH22      ARG  89  -1.380 -10.974  -6.072
  691    H    SER  90           HN       SER  90  -8.648  -9.628 -10.182
  692    HA   SER  90           HA       SER  90  -8.882  -8.443 -12.864
  693    HB2  SER  90           HB2      SER  90  -8.466 -11.387 -12.319
  694    HB3  SER  90           HB1      SER  90  -8.450 -10.573 -13.884
  695    HG   SER  90           HG       SER  90  -6.622  -9.339 -12.987
  696    H    LYS  91           HN       LYS  91 -10.879  -7.925 -11.267
  697    HA   LYS  91           HA       LYS  91 -13.102  -9.229 -12.425
  698    HB2  LYS  91           HB2      LYS  91 -12.373 -10.947 -10.704
  699    HB3  LYS  91           HB1      LYS  91 -12.767  -9.762  -9.467
  700    HG2  LYS  91           HG2      LYS  91 -15.098  -9.707 -10.398
  701    HG3  LYS  91           HG1      LYS  91 -14.646 -11.082 -11.405
  702    HD2  LYS  91           HD2      LYS  91 -14.277 -11.132  -8.427
  703    HD3  LYS  91           HD1      LYS  91 -15.820 -11.553  -9.171
  704    HE2  LYS  91           HE2      LYS  91 -14.651 -13.264 -10.526
  705    HE3  LYS  91           HE1      LYS  91 -13.159 -12.883  -9.667
  706    HZ1  LYS  91           HZ1      LYS  91 -13.919 -13.826  -7.737
  707    HZ2  LYS  91           HZ2      LYS  91 -14.648 -14.838  -8.885
  708    HZ3  LYS  91           HZ3      LYS  91 -15.555 -13.623  -8.135
  709    H    LEU  92           HN       LEU  92 -12.521  -7.872  -9.187
  710    HA   LEU  92           HA       LEU  92 -13.261  -6.022  -8.125
  711    HB2  LEU  92           HB2      LEU  92 -12.739  -5.157 -10.833
  712    HB3  LEU  92           HB1      LEU  92 -14.047  -4.226 -10.128
  713    HG   LEU  92           HG       LEU  92 -11.910  -3.109  -9.802
  714   HD11  LEU  92          HD11      LEU  92 -12.011  -2.789  -7.384
  715   HD12  LEU  92          HD12      LEU  92 -13.023  -4.225  -7.233
  716   HD13  LEU  92          HD13      LEU  92 -13.620  -2.810  -8.103
  717   HD21  LEU  92          HD21      LEU  92 -11.099  -5.566  -8.254
  718   HD22  LEU  92          HD22      LEU  92 -10.163  -4.081  -8.409
  719   HD23  LEU  92          HD23      LEU  92 -10.467  -5.082  -9.826
  720    H    SER  93           HN       SER  93 -15.193  -8.067  -9.427
  721    HA   SER  93           HA       SER  93 -17.642  -6.500  -9.469
  722    HB2  SER  93           HB2      SER  93 -17.446  -9.487  -9.790
  723    HB3  SER  93           HB1      SER  93 -18.679  -8.397 -10.417
  724    HG   SER  93           HG       SER  93 -16.702  -7.446 -11.572
  725    H    LYS  94           HN       LYS  94 -17.308  -5.945  -7.182
  726    HA   LYS  94           HA       LYS  94 -18.538  -7.965  -5.448
  727    HB2  LYS  94           HB2      LYS  94 -16.057  -6.344  -4.879
  728    HB3  LYS  94           HB1      LYS  94 -17.042  -7.012  -3.584
  729    HG2  LYS  94           HG2      LYS  94 -16.537  -9.217  -4.173
  730    HG3  LYS  94           HG1      LYS  94 -15.970  -8.750  -5.778
  731    HD2  LYS  94           HD2      LYS  94 -14.074  -9.307  -4.398
  732    HD3  LYS  94           HD1      LYS  94 -14.067  -7.573  -4.720
  733    HE2  LYS  94           HE2      LYS  94 -15.036  -7.155  -2.521
  734    HE3  LYS  94           HE1      LYS  94 -15.077  -8.889  -2.200
  735    HZ1  LYS  94           HZ1      LYS  94 -13.145  -7.672  -1.218
  736    HZ2  LYS  94           HZ2      LYS  94 -12.580  -7.399  -2.801
  737    HZ3  LYS  94           HZ3      LYS  94 -12.724  -8.978  -2.211
  738    HA   PRO  95           HA       PRO  95 -21.254  -4.630  -4.428
  739    HB2  PRO  95           HB2      PRO  95 -22.075  -5.418  -1.955
  740    HB3  PRO  95           HB1      PRO  95 -22.636  -6.187  -3.445
  741    HG2  PRO  95           HG2      PRO  95 -20.529  -7.103  -1.543
  742    HG3  PRO  95           HG1      PRO  95 -21.776  -8.047  -2.383
  743    HD2  PRO  95           HD2      PRO  95 -19.212  -7.972  -3.222
  744    HD3  PRO  95           HD1      PRO  95 -20.583  -8.151  -4.336
  745    H    MET  96           HN       MET  96 -20.714  -2.637  -3.825
  746    HA   MET  96           HA       MET  96 -18.699  -2.275  -1.744
  747    HB2  MET  96           HB2      MET  96 -18.443  -1.127  -3.953
  748    HB3  MET  96           HB1      MET  96 -19.896  -0.203  -3.593
  749    HG2  MET  96           HG2      MET  96 -18.793   0.734  -1.613
  750    HG3  MET  96           HG1      MET  96 -17.325  -0.149  -2.027
  751    HE1  MET  96           HE1      MET  96 -19.929   2.417  -3.133
  752    HE2  MET  96           HE2      MET  96 -19.718   1.698  -4.729
  753    HE3  MET  96           HE3      MET  96 -19.144   3.336  -4.417
  754    H    GLU  97           HN       GLU  97 -21.648  -0.497  -2.660
  755    HA   GLU  97           HA       GLU  97 -23.362   0.390  -1.472
  756    HB2  GLU  97           HB2      GLU  97 -23.157  -2.007  -0.369
  757    HB3  GLU  97           HB1      GLU  97 -22.622  -1.075   1.021
  758    HG2  GLU  97           HG2      GLU  97 -24.942  -1.428   1.273
  759    HG3  GLU  97           HG1      GLU  97 -24.730   0.262   0.818
  760    H    THR  98           HN       THR  98 -23.421   2.405  -0.716
  761    HA   THR  98           HA       THR  98 -22.074   3.271   1.621
  762    HB   THR  98           HB       THR  98 -20.118   3.152   0.078
  763    HG1  THR  98           HG1      THR  98 -19.300   4.989   0.889
  764   HG21  THR  98          HG21      THR  98 -21.545   5.353  -1.427
  765   HG22  THR  98          HG22      THR  98 -21.280   3.711  -2.013
  766   HG23  THR  98          HG23      THR  98 -19.906   4.778  -1.735
  767    H    LEU  99           HN       LEU  99 -22.052   5.838   1.588
  768    HA   LEU  99           HA       LEU  99 -23.312   7.716   1.717
  769    HB2  LEU  99           HB2      LEU  99 -24.093   6.787  -1.042
  770    HB3  LEU  99           HB1      LEU  99 -24.588   8.331  -0.377
  771    HG   LEU  99           HG       LEU  99 -21.685   7.562  -0.614
  772   HD11  LEU  99          HD11      LEU  99 -22.664   7.410  -2.838
  773   HD12  LEU  99          HD12      LEU  99 -21.623   8.827  -2.704
  774   HD13  LEU  99          HD13      LEU  99 -23.378   9.014  -2.648
  775   HD21  LEU  99          HD21      LEU  99 -22.232   9.412   0.893
  776   HD22  LEU  99          HD22      LEU  99 -23.090  10.226  -0.415
  777   HD23  LEU  99          HD23      LEU  99 -21.348   9.978  -0.525
  778    H    ILE 100           HN       ILE 100 -24.389   5.913   3.250
  779    HA   ILE 100           HA       ILE 100 -27.271   5.920   2.636
  780    HB   ILE 100           HB       ILE 100 -27.420   4.036   4.307
  781   HG12  ILE 100          HG12      ILE 100 -24.413   4.008   3.939
  782   HG13  ILE 100          HG11      ILE 100 -25.260   4.424   5.425
  783   HG21  ILE 100          HG21      ILE 100 -25.772   3.539   1.829
  784   HG22  ILE 100          HG22      ILE 100 -27.530   3.645   1.903
  785   HG23  ILE 100          HG23      ILE 100 -26.691   2.327   2.720
  786   HD11  ILE 100          HD11      ILE 100 -24.389   2.172   5.535
  787   HD12  ILE 100          HD12      ILE 100 -25.262   1.737   4.066
  788   HD13  ILE 100          HD13      ILE 100 -26.150   2.142   5.534
  789    H    THR 101           HN       THR 101 -24.921   7.264   4.650
  790    HA   THR 101           HA       THR 101 -27.015   8.078   6.547
  791    HB   THR 101           HB       THR 101 -24.169   7.747   7.447
  792    HG1  THR 101           HG1      THR 101 -26.204   5.750   7.289
  793   HG21  THR 101          HG21      THR 101 -25.236   7.469   9.638
  794   HG22  THR 101          HG22      THR 101 -26.824   7.610   8.886
  795   HG23  THR 101          HG23      THR 101 -25.725   8.989   8.883
  796    H    THR 102           HN       THR 102 -27.234  10.211   6.758
  797    HA   THR 102           HA       THR 102 -25.434  11.996   5.392
  798    HB   THR 102           HB       THR 102 -27.184  13.569   6.843
  799    HG1  THR 102           HG1      THR 102 -28.816  12.355   7.405
  800   HG21  THR 102          HG21      THR 102 -26.674  13.773   4.447
  801   HG22  THR 102          HG22      THR 102 -28.413  13.796   4.735
  802   HG23  THR 102          HG23      THR 102 -27.638  12.335   4.121
  803    H    VAL 103           HN       VAL 103 -23.519  12.281   6.390
  804    HA   VAL 103           HA       VAL 103 -23.470  12.728   9.292
  805    HB   VAL 103           HB       VAL 103 -21.043  12.401   9.147
  806   HG11  VAL 103          HG11      VAL 103 -22.509  10.201   7.696
  807   HG12  VAL 103          HG12      VAL 103 -22.558  10.457   9.441
  808   HG13  VAL 103          HG13      VAL 103 -21.036  10.041   8.650
  809   HG21  VAL 103          HG21      VAL 103 -19.968  11.749   7.071
  810   HG22  VAL 103          HG22      VAL 103 -20.726  13.331   6.884
  811   HG23  VAL 103          HG23      VAL 103 -21.498  11.896   6.205
  812    H    ASP 104           HN       ASP 104 -23.820  14.517   6.622
  813    HA   ASP 104           HA       ASP 104 -22.075  16.708   7.492
  814    HB2  ASP 104           HB2      ASP 104 -22.559  17.683   5.262
  815    HB3  ASP 104           HB1      ASP 104 -21.817  16.092   5.154
  816    HHB  HEM 400           HB       HEM 400  12.025   5.589  -2.406
  817    HHC  HEM 400           HC       HEM 400   5.722   4.998  -2.369
  818    HHD  HEM 400           HD       HEM 400   5.159  10.860  -4.675
  819    HMA  HEM 400          HMA1      HEM 400  14.151   6.351  -3.703
  820   HMAA  HEM 400          HMA2      HEM 400  14.117   6.929  -2.037
  821   HMAB  HEM 400          HMA3      HEM 400  14.945   7.867  -3.282
  822    HAA  HEM 400          HAA1      HEM 400  14.758   9.693  -3.976
  823   HAAA  HEM 400          HAA2      HEM 400  13.693  11.077  -3.809
  824    HBA  HEM 400          HBA1      HEM 400  13.787  11.386  -6.037
  825   HBAA  HEM 400          HBA2      HEM 400  13.031   9.811  -6.271
  826    HMB  HEM 400          HMB1      HEM 400  10.773   2.654  -2.271
  827   HMBA  HEM 400          HMB2      HEM 400  10.258   2.943  -0.606
  828   HMBB  HEM 400          HMB3      HEM 400  11.572   3.886  -1.312
  829    HAB  HEM 400           HAB      HEM 400   6.954   2.595  -2.274
  830    HBB  HEM 400          HBB1      HEM 400   8.112   3.141   0.576
  831   HBBA  HEM 400          HBB2      HEM 400   6.926   1.740   0.009
  832    HMC  HEM 400          HMC1      HEM 400   2.416   6.773  -3.079
  833   HMCA  HEM 400          HMC2      HEM 400   3.473   5.882  -1.977
  834   HMCB  HEM 400          HMC3      HEM 400   3.384   5.442  -3.682
  835    HAC  HEM 400           HAC      HEM 400   3.055   9.681  -5.005
  836    HBC  HEM 400          HBC1      HEM 400   2.003   8.674  -2.235
  837   HBCA  HEM 400          HBC2      HEM 400   1.099   9.744  -3.548
  838    HMD  HEM 400          HMD1      HEM 400   6.708  13.996  -4.914
  839   HMDA  HEM 400          HMD2      HEM 400   5.552  12.722  -5.302
  840   HMDB  HEM 400          HMD3      HEM 400   6.680  13.306  -6.524
  841    HAD  HEM 400          HAD1      HEM 400   8.979  14.231  -5.588
  842   HADA  HEM 400          HAD2      HEM 400  10.305  13.685  -4.578
  843    HBD  HEM 400          HBD1      HEM 400   9.930  13.312  -7.538
  844   HBDA  HEM 400          HBD2      HEM 400  11.009  12.262  -6.621
  845    HHA  HEM 400           HA       HEM 400  11.468  11.449  -4.733
  Start of MODEL    7
    1    H1   MET   1           HT1      MET   1  20.991 -14.073  16.632
    2    H2   MET   1           HT2      MET   1  21.847 -13.455  17.951
    3    H3   MET   1           HT3      MET   1  21.034 -12.407  16.907
    4    HA   MET   1           HA       MET   1  19.668 -14.485  18.491
    5    HB2  MET   1           HB2      MET   1  20.807 -12.892  19.993
    6    HB3  MET   1           HB1      MET   1  20.019 -11.560  19.168
    7    HG2  MET   1           HG2      MET   1  17.828 -12.505  19.855
    8    HG3  MET   1           HG1      MET   1  18.700 -13.706  20.808
    9    HE1  MET   1           HE1      MET   1  19.962 -13.274  22.960
   10    HE2  MET   1           HE2      MET   1  20.318 -11.686  23.642
   11    HE3  MET   1           HE3      MET   1  21.095 -12.195  22.143
   12    H    ALA   2           HN       ALA   2  18.849 -11.098  17.823
   13    HA   ALA   2           HA       ALA   2  16.366 -12.016  16.604
   14    HB1  ALA   2           HB1      ALA   2  16.283 -10.307  18.376
   15    HB2  ALA   2           HB2      ALA   2  15.597  -9.733  16.857
   16    HB3  ALA   2           HB3      ALA   2  17.210  -9.217  17.345
   17    H    ALA   3           HN       ALA   3  17.271 -12.769  14.636
   18    HA   ALA   3           HA       ALA   3  17.578 -10.640  12.681
   19    HB1  ALA   3           HB1      ALA   3  19.636 -12.833  12.870
   20    HB2  ALA   3           HB2      ALA   3  19.875 -11.194  13.467
   21    HB3  ALA   3           HB3      ALA   3  19.620 -11.475  11.746
   22    H    GLN   4           HN       GLN   4  15.720 -11.222  11.651
   23    HA   GLN   4           HA       GLN   4  15.785 -13.839  10.319
   24    HB2  GLN   4           HB2      GLN   4  13.253 -13.848  10.466
   25    HB3  GLN   4           HB1      GLN   4  14.113 -14.168  11.961
   26    HG2  GLN   4           HG2      GLN   4  13.634 -12.011  12.805
   27    HG3  GLN   4           HG1      GLN   4  13.060 -11.454  11.234
   28   HE21  GLN   4          HE21      GLN   4  11.085 -10.826  12.173
   29   HE22  GLN   4          HE22      GLN   4   9.876 -11.995  12.588
   30    H    SER   5           HN       SER   5  15.618 -13.715   8.191
   31    HA   SER   5           HA       SER   5  14.463 -11.280   7.026
   32    HB2  SER   5           HB2      SER   5  16.904 -12.723   5.972
   33    HB3  SER   5           HB1      SER   5  16.202 -11.237   5.337
   34    HG   SER   5           HG       SER   5  16.760 -10.197   7.264
   35    H    ASP   6           HN       ASP   6  12.610 -12.855   7.072
   36    HA   ASP   6           HA       ASP   6  12.745 -14.749   4.834
   37    HB2  ASP   6           HB2      ASP   6  11.893 -15.400   7.208
   38    HB3  ASP   6           HB1      ASP   6  10.423 -14.555   6.730
   39    H    LYS   7           HN       LYS   7  11.352 -14.598   3.104
   40    HA   LYS   7           HA       LYS   7   9.810 -12.096   2.961
   41    HB2  LYS   7           HB2      LYS   7  11.248 -13.564   0.745
   42    HB3  LYS   7           HB1      LYS   7  10.211 -12.165   0.507
   43    HG2  LYS   7           HG2      LYS   7  12.706 -12.173   2.193
   44    HG3  LYS   7           HG1      LYS   7  12.626 -11.626   0.516
   45    HD2  LYS   7           HD2      LYS   7  10.992  -9.913   1.157
   46    HD3  LYS   7           HD1      LYS   7  11.070 -10.462   2.831
   47    HE2  LYS   7           HE2      LYS   7  13.409  -9.842   2.962
   48    HE3  LYS   7           HE1      LYS   7  13.410  -9.397   1.256
   49    HZ1  LYS   7           HZ1      LYS   7  11.758  -8.086   3.344
   50    HZ2  LYS   7           HZ2      LYS   7  11.876  -7.619   1.722
   51    HZ3  LYS   7           HZ3      LYS   7  13.218  -7.477   2.747
   52    H    ASP   8           HN       ASP   8   7.786 -12.691   3.378
   53    HA   ASP   8           HA       ASP   8   6.644 -14.895   1.786
   54    HB2  ASP   8           HB2      ASP   8   6.751 -14.949   4.455
   55    HB3  ASP   8           HB1      ASP   8   5.301 -13.963   4.289
   56    H    VAL   9           HN       VAL   9   4.185 -14.552   1.494
   57    HA   VAL   9           HA       VAL   9   3.463 -11.733   1.302
   58    HB   VAL   9           HB       VAL   9   4.447 -11.981  -0.842
   59   HG11  VAL   9          HG11      VAL   9   2.886 -14.542  -1.137
   60   HG12  VAL   9          HG12      VAL   9   4.631 -14.384  -0.954
   61   HG13  VAL   9          HG13      VAL   9   3.842 -13.783  -2.409
   62   HG21  VAL   9          HG21      VAL   9   2.361 -10.801  -0.933
   63   HG22  VAL   9          HG22      VAL   9   1.458 -12.312  -1.058
   64   HG23  VAL   9          HG23      VAL   9   2.506 -11.797  -2.383
   65    H    LYS  10           HN       LYS  10   1.530 -11.562   2.185
   66    HA   LYS  10           HA       LYS  10  -0.314 -13.839   2.002
   67    HB2  LYS  10           HB2      LYS  10   0.079 -13.207   4.277
   68    HB3  LYS  10           HB1      LYS  10  -0.182 -11.507   3.913
   69    HG2  LYS  10           HG2      LYS  10  -2.493 -11.786   3.705
   70    HG3  LYS  10           HG1      LYS  10  -2.356 -13.536   3.548
   71    HD2  LYS  10           HD2      LYS  10  -1.344 -12.317   6.048
   72    HD3  LYS  10           HD1      LYS  10  -3.092 -12.348   5.818
   73    HE2  LYS  10           HE2      LYS  10  -1.254 -14.735   5.664
   74    HE3  LYS  10           HE1      LYS  10  -2.284 -14.322   7.032
   75    HZ1  LYS  10           HZ1      LYS  10  -3.114 -15.174   4.321
   76    HZ2  LYS  10           HZ2      LYS  10  -4.187 -14.450   5.405
   77    HZ3  LYS  10           HZ3      LYS  10  -3.447 -15.921   5.802
   78    H    TYR  11           HN       TYR  11  -2.147 -13.694   0.864
   79    HA   TYR  11           HA       TYR  11  -2.607 -11.337  -0.724
   80    HB2  TYR  11           HB2      TYR  11  -3.752 -14.088  -0.606
   81    HB3  TYR  11           HB1      TYR  11  -4.723 -12.821  -1.344
   82    HD1  TYR  11           HD2      TYR  11  -1.034 -12.892  -1.549
   83    HD2  TYR  11           HD1      TYR  11  -4.695 -13.742  -3.547
   84    HE1  TYR  11           HE2      TYR  11   0.189 -13.180  -3.665
   85    HE2  TYR  11           HE1      TYR  11  -3.480 -14.029  -5.665
   86    HH   TYR  11           HH       TYR  11   0.061 -13.778  -5.804
   87    H    TYR  12           HN       TYR  12  -3.437  -9.644   0.311
   88    HA   TYR  12           HA       TYR  12  -5.499 -10.023   2.340
   89    HB2  TYR  12           HB2      TYR  12  -4.046  -7.539   1.405
   90    HB3  TYR  12           HB1      TYR  12  -5.241  -7.572   2.690
   91    HD1  TYR  12           HD2      TYR  12  -4.690  -9.270   4.661
   92    HD2  TYR  12           HD1      TYR  12  -1.812  -7.661   1.968
   93    HE1  TYR  12           HE2      TYR  12  -2.911  -9.705   6.306
   94    HE2  TYR  12           HE1      TYR  12  -0.032  -8.090   3.606
   95    HH   TYR  12           HH       TYR  12  -0.508 -10.010   6.402
   96    H    THR  13           HN       THR  13  -7.418  -8.612   2.252
   97    HA   THR  13           HA       THR  13  -8.418  -8.472  -0.499
   98    HB   THR  13           HB       THR  13 -10.433  -7.924   1.507
   99    HG1  THR  13           HG1      THR  13  -8.822  -9.431   2.637
  100   HG21  THR  13          HG21      THR  13 -11.562  -9.779   0.350
  101   HG22  THR  13          HG22      THR  13 -10.066 -10.144  -0.507
  102   HG23  THR  13          HG23      THR  13 -10.891  -8.612  -0.787
  103    H    LEU  14           HN       LEU  14  -9.551  -6.625  -1.237
  104    HA   LEU  14           HA       LEU  14  -8.303  -4.195  -0.781
  105    HB2  LEU  14           HB2      LEU  14  -9.615  -4.838  -2.787
  106    HB3  LEU  14           HB1      LEU  14 -11.084  -4.629  -1.858
  107    HG   LEU  14           HG       LEU  14 -10.471  -2.226  -1.537
  108   HD11  LEU  14          HD11      LEU  14  -8.811  -1.340  -3.226
  109   HD12  LEU  14          HD12      LEU  14  -8.259  -3.004  -3.424
  110   HD13  LEU  14          HD13      LEU  14  -8.130  -2.212  -1.854
  111   HD21  LEU  14          HD21      LEU  14 -11.046  -1.570  -3.854
  112   HD22  LEU  14          HD22      LEU  14 -12.082  -2.846  -3.216
  113   HD23  LEU  14          HD23      LEU  14 -10.797  -3.242  -4.356
  114    H    GLU  15           HN       GLU  15 -11.340  -5.412   0.591
  115    HA   GLU  15           HA       GLU  15 -12.012  -2.968   1.874
  116    HB2  GLU  15           HB2      GLU  15 -13.726  -4.270   3.028
  117    HB3  GLU  15           HB1      GLU  15 -13.699  -4.623   1.307
  118    HG2  GLU  15           HG2      GLU  15 -12.091  -6.380   3.055
  119    HG3  GLU  15           HG1      GLU  15 -13.844  -6.508   3.185
  120    H    GLU  16           HN       GLU  16  -9.847  -5.518   2.804
  121    HA   GLU  16           HA       GLU  16 -10.035  -4.759   5.607
  122    HB2  GLU  16           HB2      GLU  16  -8.806  -6.660   6.151
  123    HB3  GLU  16           HB1      GLU  16  -9.786  -7.172   4.786
  124    HG2  GLU  16           HG2      GLU  16  -7.874  -6.907   3.303
  125    HG3  GLU  16           HG1      GLU  16  -6.890  -6.359   4.660
  126    H    ILE  17           HN       ILE  17  -7.800  -4.390   2.908
  127    HA   ILE  17           HA       ILE  17  -5.664  -3.382   4.518
  128    HB   ILE  17           HB       ILE  17  -4.703  -2.569   2.348
  129   HG12  ILE  17          HG12      ILE  17  -7.072  -3.999   1.129
  130   HG13  ILE  17          HG11      ILE  17  -6.888  -2.249   1.193
  131   HG21  ILE  17          HG21      ILE  17  -4.211  -4.812   1.504
  132   HG22  ILE  17          HG22      ILE  17  -5.531  -5.464   2.474
  133   HG23  ILE  17          HG23      ILE  17  -4.129  -4.743   3.264
  134   HD11  ILE  17          HD11      ILE  17  -6.241  -2.995  -0.970
  135   HD12  ILE  17          HD12      ILE  17  -5.157  -4.203  -0.287
  136   HD13  ILE  17          HD13      ILE  17  -4.790  -2.491  -0.105
  137    H    LYS  18           HN       LYS  18  -8.265  -1.873   2.659
  138    HA   LYS  18           HA       LYS  18  -7.320   0.777   3.013
  139    HB2  LYS  18           HB2      LYS  18  -9.495   1.496   2.221
  140    HB3  LYS  18           HB1      LYS  18  -8.909   0.165   1.234
  141    HG2  LYS  18           HG2      LYS  18 -10.608  -1.176   1.811
  142    HG3  LYS  18           HG1      LYS  18 -10.589  -0.646   3.495
  143    HD2  LYS  18           HD2      LYS  18 -12.681  -0.007   2.433
  144    HD3  LYS  18           HD1      LYS  18 -11.736   1.428   2.836
  145    HE2  LYS  18           HE2      LYS  18 -10.918   1.468   0.484
  146    HE3  LYS  18           HE1      LYS  18 -12.015   0.135   0.125
  147    HZ1  LYS  18           HZ1      LYS  18 -12.954   2.283  -0.480
  148    HZ2  LYS  18           HZ2      LYS  18 -12.835   2.810   1.122
  149    HZ3  LYS  18           HZ3      LYS  18 -13.872   1.538   0.726
  150    H    LYS  19           HN       LYS  19  -8.936  -1.410   5.093
  151    HA   LYS  19           HA       LYS  19  -9.943   0.701   6.827
  152    HB2  LYS  19           HB2      LYS  19 -10.906  -1.781   6.274
  153    HB3  LYS  19           HB1      LYS  19 -10.032  -2.098   7.767
  154    HG2  LYS  19           HG2      LYS  19 -12.303  -1.599   8.306
  155    HG3  LYS  19           HG1      LYS  19 -11.294  -0.255   8.842
  156    HD2  LYS  19           HD2      LYS  19 -13.143   0.772   7.834
  157    HD3  LYS  19           HD1      LYS  19 -11.887   0.840   6.598
  158    HE2  LYS  19           HE2      LYS  19 -13.804   0.141   5.453
  159    HE3  LYS  19           HE1      LYS  19 -12.885  -1.341   5.719
  160    HZ1  LYS  19           HZ1      LYS  19 -15.247  -1.606   6.211
  161    HZ2  LYS  19           HZ2      LYS  19 -15.144  -0.411   7.400
  162    HZ3  LYS  19           HZ3      LYS  19 -14.295  -1.861   7.584
  163    H    HIS  20           HN       HIS  20  -7.031  -0.128   6.247
  164    HA   HIS  20           HA       HIS  20  -6.187  -0.172   9.070
  165    HB2  HIS  20           HB2      HIS  20  -5.168  -1.703   6.712
  166    HB3  HIS  20           HB1      HIS  20  -4.013  -1.186   7.932
  167    HD1  HIS  20           HD1      HIS  20  -6.826  -3.583   7.362
  168    HD2  HIS  20           HD2      HIS  20  -4.218  -2.479  10.409
  169    HE1  HIS  20           HE1      HIS  20  -7.059  -5.353   9.132
  170    HE2  HIS  20           HE2      HIS  20  -5.301  -4.789  10.839
  171    H    ASN  21           HN       ASN  21  -6.697   1.968   6.952
  172    HA   ASN  21           HA       ASN  21  -4.135   3.066   6.302
  173    HB2  ASN  21           HB2      ASN  21  -5.480   5.076   5.593
  174    HB3  ASN  21           HB1      ASN  21  -5.919   3.568   4.805
  175   HD21  ASN  21          HD21      ASN  21  -7.853   4.861   4.322
  176   HD22  ASN  21          HD22      ASN  21  -9.145   4.863   5.467
  177    H    HIS  22           HN       HIS  22  -3.879   2.686   8.901
  178    HA   HIS  22           HA       HIS  22  -4.332   5.302  10.176
  179    HB2  HIS  22           HB2      HIS  22  -3.831   2.563  11.350
  180    HB3  HIS  22           HB1      HIS  22  -3.729   4.034  12.308
  181    HD1  HIS  22           HD1      HIS  22  -6.025   5.468  12.413
  182    HD2  HIS  22           HD2      HIS  22  -6.347   1.542  11.092
  183    HE1  HIS  22           HE1      HIS  22  -8.461   4.886  12.621
  184    HE2  HIS  22           HE2      HIS  22  -8.598   2.450  11.988
  185    H    SER  23           HN       SER  23  -2.525   5.998  11.661
  186    HA   SER  23           HA       SER  23  -0.118   6.182  10.181
  187    HB2  SER  23           HB2      SER  23   0.216   6.962  12.924
  188    HB3  SER  23           HB1      SER  23   0.100   7.983  11.488
  189    HG   SER  23           HG       SER  23  -1.832   8.500  12.117
  190    H    LYS  24           HN       LYS  24  -1.197   3.659  12.010
  191    HA   LYS  24           HA       LYS  24   1.508   2.879  12.856
  192    HB2  LYS  24           HB2      LYS  24   0.432   1.370  14.446
  193    HB3  LYS  24           HB1      LYS  24  -0.110   3.025  14.682
  194    HG2  LYS  24           HG2      LYS  24  -2.071   2.279  13.106
  195    HG3  LYS  24           HG1      LYS  24  -1.607   0.668  13.653
  196    HD2  LYS  24           HD2      LYS  24  -2.370   2.995  15.409
  197    HD3  LYS  24           HD1      LYS  24  -3.368   1.588  15.058
  198    HE2  LYS  24           HE2      LYS  24  -1.829   0.137  16.190
  199    HE3  LYS  24           HE1      LYS  24  -0.675   1.452  16.398
  200    HZ1  LYS  24           HZ1      LYS  24  -2.360   2.585  17.773
  201    HZ2  LYS  24           HZ2      LYS  24  -1.843   1.119  18.433
  202    HZ3  LYS  24           HZ3      LYS  24  -3.345   1.215  17.665
  203    H    SER  25           HN       SER  25  -0.610   2.380  10.390
  204    HA   SER  25           HA       SER  25   0.718  -0.043   9.576
  205    HB2  SER  25           HB2      SER  25  -2.303  -0.116   9.807
  206    HB3  SER  25           HB1      SER  25  -1.234  -1.434   9.334
  207    HG   SER  25           HG       SER  25  -0.359  -0.692  11.666
  208    H    THR  26           HN       THR  26   0.769   2.523   8.526
  209    HA   THR  26           HA       THR  26  -1.108   3.012   6.483
  210    HB   THR  26           HB       THR  26   1.760   3.929   6.419
  211    HG1  THR  26           HG1      THR  26  -0.245   4.486   8.251
  212   HG21  THR  26          HG21      THR  26   0.784   5.935   5.404
  213   HG22  THR  26          HG22      THR  26  -0.824   5.224   5.534
  214   HG23  THR  26          HG23      THR  26   0.381   4.492   4.472
  215    H    TRP  27           HN       TRP  27  -1.494   1.366   5.114
  216    HA   TRP  27           HA       TRP  27   0.756   0.133   3.712
  217    HB2  TRP  27           HB2      TRP  27  -2.141  -0.659   4.026
  218    HB3  TRP  27           HB1      TRP  27  -1.068  -1.445   2.874
  219    HD1  TRP  27           HD1      TRP  27   1.335  -1.043   5.326
  220    HE1  TRP  27           HE1      TRP  27   1.438  -2.951   7.041
  221    HE3  TRP  27           HE3      TRP  27  -3.260  -3.108   4.485
  222    HZ2  TRP  27           HZ2      TRP  27  -0.229  -5.063   7.929
  223    HZ3  TRP  27           HZ3      TRP  27  -3.933  -5.071   5.807
  224    HH2  TRP  27           HH2      TRP  27  -2.448  -6.028   7.492
  225    H    LEU  28           HN       LEU  28   1.117   0.440   1.597
  226    HA   LEU  28           HA       LEU  28  -0.828   2.075   0.103
  227    HB2  LEU  28           HB2      LEU  28   1.967   2.489   0.638
  228    HB3  LEU  28           HB1      LEU  28   1.716   2.322  -1.089
  229    HG   LEU  28           HG       LEU  28   0.073   4.229   0.555
  230   HD11  LEU  28          HD11      LEU  28   2.268   4.956   1.009
  231   HD12  LEU  28          HD12      LEU  28   1.692   5.974  -0.309
  232   HD13  LEU  28          HD13      LEU  28   2.798   4.643  -0.642
  233   HD21  LEU  28          HD21      LEU  28  -0.135   5.364  -1.627
  234   HD22  LEU  28          HD22      LEU  28  -0.790   3.727  -1.636
  235   HD23  LEU  28          HD23      LEU  28   0.782   4.051  -2.368
  236    H    ILE  29           HN       ILE  29  -1.319   1.467  -1.973
  237    HA   ILE  29           HA       ILE  29  -0.416  -1.214  -2.728
  238    HB   ILE  29           HB       ILE  29  -2.684   0.342  -3.963
  239   HG12  ILE  29          HG12      ILE  29  -2.934  -1.798  -1.849
  240   HG13  ILE  29          HG11      ILE  29  -2.939  -0.078  -1.470
  241   HG21  ILE  29          HG21      ILE  29  -3.411  -1.825  -4.779
  242   HG22  ILE  29          HG22      ILE  29  -2.068  -2.608  -3.949
  243   HG23  ILE  29          HG23      ILE  29  -1.753  -1.510  -5.288
  244   HD11  ILE  29          HD11      ILE  29  -4.907  -1.505  -3.241
  245   HD12  ILE  29          HD12      ILE  29  -4.909   0.222  -2.876
  246   HD13  ILE  29          HD13      ILE  29  -5.193  -0.952  -1.589
  247    H    LEU  30           HN       LEU  30   1.132  -1.378  -4.143
  248    HA   LEU  30           HA       LEU  30   1.250   0.524  -6.385
  249    HB2  LEU  30           HB2      LEU  30   3.596  -0.531  -4.796
  250    HB3  LEU  30           HB1      LEU  30   3.732   0.381  -6.287
  251    HG   LEU  30           HG       LEU  30   2.436   1.471  -3.791
  252   HD11  LEU  30          HD11      LEU  30   4.515   2.705  -3.433
  253   HD12  LEU  30          HD12      LEU  30   5.257   1.851  -4.785
  254   HD13  LEU  30          HD13      LEU  30   4.776   0.964  -3.339
  255   HD21  LEU  30          HD21      LEU  30   3.411   2.771  -6.332
  256   HD22  LEU  30          HD22      LEU  30   2.815   3.633  -4.913
  257   HD23  LEU  30          HD23      LEU  30   1.733   2.578  -5.825
  258    H    HIS  31           HN       HIS  31   0.920  -0.550  -8.194
  259    HA   HIS  31           HA       HIS  31   0.926  -2.165  -9.800
  260    HB2  HIS  31           HB2      HIS  31   3.327  -3.138  -8.237
  261    HB3  HIS  31           HB1      HIS  31   2.788  -3.889  -9.733
  262    HD1  HIS  31           HD1      HIS  31   2.791  -2.214 -11.878
  263    HD2  HIS  31           HD2      HIS  31   5.020  -1.043  -8.572
  264    HE1  HIS  31           HE1      HIS  31   4.402  -0.491 -12.730
  265    HE2  HIS  31           HE2      HIS  31   5.884   0.036 -10.763
  266    H    HIS  32           HN       HIS  32  -0.700  -2.390  -7.479
  267    HA   HIS  32           HA       HIS  32  -2.265  -3.767  -6.609
  268    HB2  HIS  32           HB2      HIS  32  -1.164  -5.667  -8.676
  269    HB3  HIS  32           HB1      HIS  32  -2.466  -6.121  -7.583
  270    HD1  HIS  32           HD1      HIS  32  -2.602  -5.748 -10.782
  271    HD2  HIS  32           HD2      HIS  32  -4.054  -3.152  -7.879
  272    HE1  HIS  32           HE1      HIS  32  -4.413  -4.411 -11.913
  273    HE2  HIS  32           HE2      HIS  32  -5.352  -2.928 -10.105
  274    H    LYS  33           HN       LYS  33   0.646  -3.685  -5.763
  275    HA   LYS  33           HA       LYS  33   0.595  -6.067  -4.037
  276    HB2  LYS  33           HB2      LYS  33   2.945  -4.444  -5.040
  277    HB3  LYS  33           HB1      LYS  33   3.070  -5.718  -3.832
  278    HG2  LYS  33           HG2      LYS  33   2.540  -7.392  -5.371
  279    HG3  LYS  33           HG1      LYS  33   1.872  -6.240  -6.525
  280    HD2  LYS  33           HD2      LYS  33   4.125  -5.329  -6.893
  281    HD3  LYS  33           HD1      LYS  33   4.777  -6.525  -5.769
  282    HE2  LYS  33           HE2      LYS  33   3.174  -7.316  -8.181
  283    HE3  LYS  33           HE1      LYS  33   4.913  -7.054  -8.268
  284    HZ1  LYS  33           HZ1      LYS  33   5.241  -8.772  -6.628
  285    HZ2  LYS  33           HZ2      LYS  33   4.337  -9.387  -7.914
  286    HZ3  LYS  33           HZ3      LYS  33   3.571  -8.995  -6.456
  287    H    VAL  34           HN       VAL  34   0.972  -5.776  -1.832
  288    HA   VAL  34           HA       VAL  34   0.393  -3.065  -0.901
  289    HB   VAL  34           HB       VAL  34   0.374  -5.626   0.706
  290   HG11  VAL  34          HG11      VAL  34  -0.887  -4.363   2.337
  291   HG12  VAL  34          HG12      VAL  34  -0.862  -2.937   1.297
  292   HG13  VAL  34          HG13      VAL  34   0.639  -3.541   2.003
  293   HG21  VAL  34          HG21      VAL  34  -1.275  -5.809  -1.040
  294   HG22  VAL  34          HG22      VAL  34  -1.887  -4.195  -0.684
  295   HG23  VAL  34          HG23      VAL  34  -2.092  -5.494   0.490
  296    H    TYR  35           HN       TYR  35   1.939  -1.828  -0.158
  297    HA   TYR  35           HA       TYR  35   4.379  -3.080   0.922
  298    HB2  TYR  35           HB2      TYR  35   4.031  -0.443  -0.527
  299    HB3  TYR  35           HB1      TYR  35   5.520  -0.935   0.274
  300    HD1  TYR  35           HD2      TYR  35   6.841  -2.824  -0.623
  301    HD2  TYR  35           HD1      TYR  35   3.417  -1.331  -2.659
  302    HE1  TYR  35           HE2      TYR  35   7.574  -3.958  -2.674
  303    HE2  TYR  35           HE1      TYR  35   4.149  -2.459  -4.719
  304    HH   TYR  35           HH       TYR  35   6.235  -3.295  -5.714
  305    H    ASP  36           HN       ASP  36   4.905  -2.640   2.964
  306    HA   ASP  36           HA       ASP  36   3.232  -0.766   4.471
  307    HB2  ASP  36           HB2      ASP  36   3.584  -3.150   5.263
  308    HB3  ASP  36           HB1      ASP  36   5.264  -2.725   5.567
  309    H    LEU  37           HN       LEU  37   3.957   1.201   4.842
  310    HA   LEU  37           HA       LEU  37   6.808   1.607   5.370
  311    HB2  LEU  37           HB2      LEU  37   6.960   3.511   3.920
  312    HB3  LEU  37           HB1      LEU  37   6.387   2.150   2.979
  313    HG   LEU  37           HG       LEU  37   4.425   4.113   4.111
  314   HD11  LEU  37          HD11      LEU  37   5.935   4.435   1.523
  315   HD12  LEU  37          HD12      LEU  37   6.116   5.446   2.958
  316   HD13  LEU  37          HD13      LEU  37   4.588   5.429   2.075
  317   HD21  LEU  37          HD21      LEU  37   3.087   3.419   2.231
  318   HD22  LEU  37          HD22      LEU  37   3.645   1.993   3.108
  319   HD23  LEU  37          HD23      LEU  37   4.419   2.457   1.590
  320    H    THR  38           HN       THR  38   4.441   1.445   7.031
  321    HA   THR  38           HA       THR  38   3.445   3.962   7.749
  322    HB   THR  38           HB       THR  38   2.675   1.547   8.423
  323    HG1  THR  38           HG1      THR  38   2.445   3.956   9.895
  324   HG21  THR  38          HG21      THR  38   4.305   2.335  10.844
  325   HG22  THR  38          HG22      THR  38   4.684   1.005   9.749
  326   HG23  THR  38          HG23      THR  38   3.213   0.955  10.722
  327    H    LYS  39           HN       LYS  39   6.482   2.478   8.473
  328    HA   LYS  39           HA       LYS  39   7.022   4.563  10.470
  329    HB2  LYS  39           HB2      LYS  39   7.928   1.766  10.151
  330    HB3  LYS  39           HB1      LYS  39   9.141   2.909  10.713
  331    HG2  LYS  39           HG2      LYS  39   6.442   2.533  11.985
  332    HG3  LYS  39           HG1      LYS  39   7.925   1.751  12.536
  333    HD2  LYS  39           HD2      LYS  39   8.692   3.627  13.513
  334    HD3  LYS  39           HD1      LYS  39   8.130   4.660  12.198
  335    HE2  LYS  39           HE2      LYS  39   5.877   4.610  13.073
  336    HE3  LYS  39           HE1      LYS  39   6.359   3.467  14.327
  337    HZ1  LYS  39           HZ1      LYS  39   7.755   5.123  15.313
  338    HZ2  LYS  39           HZ2      LYS  39   6.209   5.783  15.112
  339    HZ3  LYS  39           HZ3      LYS  39   7.453   6.212  14.052
  340    H    PHE  40           HN       PHE  40   7.260   4.294   7.322
  341    HA   PHE  40           HA       PHE  40   9.955   5.478   7.201
  342    HB2  PHE  40           HB2      PHE  40   8.764   3.378   5.646
  343    HB3  PHE  40           HB1      PHE  40   9.144   4.738   4.595
  344    HD1  PHE  40           HD1      PHE  40  10.639   2.559   7.208
  345    HD2  PHE  40           HD2      PHE  40  11.301   5.028   3.804
  346    HE1  PHE  40           HE1      PHE  40  13.001   1.865   7.167
  347    HE2  PHE  40           HE2      PHE  40  13.662   4.336   3.754
  348    HZ   PHE  40           HZ       PHE  40  14.513   2.750   5.436
  349    H    LEU  41           HN       LEU  41   6.921   6.398   7.401
  350    HA   LEU  41           HA       LEU  41   6.402   8.038   5.187
  351    HB2  LEU  41           HB2      LEU  41   5.568   8.527   8.048
  352    HB3  LEU  41           HB1      LEU  41   4.815   9.198   6.616
  353    HG   LEU  41           HG       LEU  41   4.866   6.253   7.271
  354   HD11  LEU  41          HD11      LEU  41   3.583   7.483   8.942
  355   HD12  LEU  41          HD12      LEU  41   2.519   6.540   7.897
  356   HD13  LEU  41          HD13      LEU  41   2.670   8.281   7.663
  357   HD21  LEU  41          HD21      LEU  41   3.350   7.857   5.217
  358   HD22  LEU  41          HD22      LEU  41   3.090   6.149   5.566
  359   HD23  LEU  41          HD23      LEU  41   4.633   6.687   4.904
  360    H    GLU  42           HN       GLU  42   8.180   8.631   8.169
  361    HA   GLU  42           HA       GLU  42   8.679  11.398   7.461
  362    HB2  GLU  42           HB2      GLU  42  10.045  11.341   9.601
  363    HB3  GLU  42           HB1      GLU  42   8.318  11.076   9.758
  364    HG2  GLU  42           HG2      GLU  42   8.739   8.644   9.851
  365    HG3  GLU  42           HG1      GLU  42  10.468   8.982   9.815
  366    H    GLU  43           HN       GLU  43   9.989   8.521   6.557
  367    HA   GLU  43           HA       GLU  43  12.689   9.654   6.264
  368    HB2  GLU  43           HB2      GLU  43  11.817   6.757   6.099
  369    HB3  GLU  43           HB1      GLU  43  13.466   7.342   5.934
  370    HG2  GLU  43           HG2      GLU  43  13.141   8.312   8.292
  371    HG3  GLU  43           HG1      GLU  43  11.748   7.234   8.379
  372    H    HIS  44           HN       HIS  44  10.011   9.741   4.695
  373    HA   HIS  44           HA       HIS  44  10.994   8.862   2.080
  374    HB2  HIS  44           HB2      HIS  44   8.773   8.049   2.792
  375    HB3  HIS  44           HB1      HIS  44   8.214   9.714   2.915
  376    HD1  HIS  44           HD1      HIS  44   7.313  10.768   0.814
  377    HD2  HIS  44           HD2      HIS  44   9.360   7.220   0.090
  378    HE1  HIS  44           HE1      HIS  44   6.936  10.218  -1.623
  379    HA   PRO  45           HA       PRO  45  11.897  13.169   1.335
  380    HB2  PRO  45           HB2      PRO  45  12.876  12.853  -1.172
  381    HB3  PRO  45           HB1      PRO  45  13.804  12.434   0.277
  382    HG2  PRO  45           HG2      PRO  45  12.292  10.648  -1.567
  383    HG3  PRO  45           HG1      PRO  45  13.873  10.399  -0.798
  384    HD2  PRO  45           HD2      PRO  45  11.579   9.269   0.132
  385    HD3  PRO  45           HD1      PRO  45  12.952   9.690   1.177
  386    H    GLY  46           HN       GLY  46  10.100  14.362   1.074
  387    HA2  GLY  46           HA2      GLY  46   9.035  15.464  -0.993
  388    HA3  GLY  46           HA1      GLY  46   8.406  13.845  -1.280
  389    H    GLY  47           HN       GLY  47   8.356  13.693   1.825
  390    HA2  GLY  47           HA2      GLY  47   6.986  14.841   3.482
  391    HA3  GLY  47           HA1      GLY  47   5.886  15.272   2.182
  392    H    GLU  48           HN       GLU  48   4.849  14.163   4.373
  393    HA   GLU  48           HA       GLU  48   4.467  11.309   3.809
  394    HB2  GLU  48           HB2      GLU  48   3.447  11.220   6.058
  395    HB3  GLU  48           HB1      GLU  48   5.099  11.819   6.099
  396    HG2  GLU  48           HG2      GLU  48   4.421  14.004   6.550
  397    HG3  GLU  48           HG1      GLU  48   2.765  13.701   6.026
  398    H    GLU  49           HN       GLU  49   2.978  14.345   3.478
  399    HA   GLU  49           HA       GLU  49   0.271  13.797   3.793
  400    HB2  GLU  49           HB2      GLU  49   1.477  16.032   3.302
  401    HB3  GLU  49           HB1      GLU  49   1.292  15.592   1.611
  402    HG2  GLU  49           HG2      GLU  49  -0.489  17.076   2.348
  403    HG3  GLU  49           HG1      GLU  49  -1.114  15.501   1.865
  404    H    VAL  50           HN       VAL  50   2.212  13.584   0.801
  405    HA   VAL  50           HA       VAL  50   0.127  12.639  -0.827
  406    HB   VAL  50           HB       VAL  50   1.954  11.775  -2.324
  407   HG11  VAL  50          HG11      VAL  50   2.807  14.017  -2.878
  408   HG12  VAL  50          HG12      VAL  50   2.176  14.618  -1.347
  409   HG13  VAL  50          HG13      VAL  50   1.070  14.017  -2.581
  410   HG21  VAL  50          HG21      VAL  50   4.266  12.379  -1.786
  411   HG22  VAL  50          HG22      VAL  50   3.609  11.230  -0.617
  412   HG23  VAL  50          HG23      VAL  50   3.749  12.936  -0.195
  413    H    LEU  51           HN       LEU  51   2.076  10.990   1.506
  414    HA   LEU  51           HA       LEU  51   1.587   8.358   0.421
  415    HB2  LEU  51           HB2      LEU  51   2.677   9.121   3.129
  416    HB3  LEU  51           HB1      LEU  51   2.770   7.543   2.372
  417    HG   LEU  51           HG       LEU  51   4.133  10.025   1.325
  418   HD11  LEU  51          HD11      LEU  51   5.278   7.681   2.832
  419   HD12  LEU  51          HD12      LEU  51   5.029   9.297   3.490
  420   HD13  LEU  51          HD13      LEU  51   6.180   9.047   2.180
  421   HD21  LEU  51          HD21      LEU  51   4.348   7.122   0.532
  422   HD22  LEU  51          HD22      LEU  51   5.362   8.424  -0.083
  423   HD23  LEU  51          HD23      LEU  51   3.634   8.414  -0.427
  424    H    ARG  52           HN       ARG  52   0.495  10.230   3.233
  425    HA   ARG  52           HA       ARG  52  -1.200   8.177   4.220
  426    HB2  ARG  52           HB2      ARG  52  -2.033   9.836   5.778
  427    HB3  ARG  52           HB1      ARG  52  -0.282   9.945   5.658
  428    HG2  ARG  52           HG2      ARG  52  -0.585  12.132   5.380
  429    HG3  ARG  52           HG1      ARG  52  -1.162  11.737   3.759
  430    HD2  ARG  52           HD2      ARG  52  -2.824  13.106   4.736
  431    HD3  ARG  52           HD1      ARG  52  -3.454  11.462   4.777
  432    HE   ARG  52           HE       ARG  52  -3.156  11.419   7.105
  433   HH11  ARG  52          HH11      ARG  52  -2.236  14.493   5.653
  434   HH12  ARG  52          HH12      ARG  52  -2.244  15.358   7.240
  435   HH21  ARG  52          HH21      ARG  52  -3.181  12.492   9.128
  436   HH22  ARG  52          HH22      ARG  52  -2.759  14.245   9.174
  437    H    GLU  53           HN       GLU  53  -1.663  10.703   1.855
  438    HA   GLU  53           HA       GLU  53  -4.527  10.582   1.974
  439    HB2  GLU  53           HB2      GLU  53  -4.544  12.133   0.211
  440    HB3  GLU  53           HB1      GLU  53  -3.147  12.558   1.186
  441    HG2  GLU  53           HG2      GLU  53  -1.666  11.521  -0.405
  442    HG3  GLU  53           HG1      GLU  53  -3.041  10.933  -1.339
  443    H    GLN  54           HN       GLN  54  -2.073   8.755   0.404
  444    HA   GLN  54           HA       GLN  54  -4.055   7.514  -1.373
  445    HB2  GLN  54           HB2      GLN  54  -1.033   7.362  -1.402
  446    HB3  GLN  54           HB1      GLN  54  -2.091   6.506  -2.516
  447    HG2  GLN  54           HG2      GLN  54  -2.014   9.498  -2.237
  448    HG3  GLN  54           HG1      GLN  54  -1.076   8.594  -3.420
  449   HE21  GLN  54          HE21      GLN  54  -4.270   9.573  -2.441
  450   HE22  GLN  54          HE22      GLN  54  -5.057   9.219  -3.938
  451    H    ALA  55           HN       ALA  55  -3.043   7.143   1.639
  452    HA   ALA  55           HA       ALA  55  -2.212   4.473   1.883
  453    HB1  ALA  55           HB1      ALA  55  -3.732   6.172   3.861
  454    HB2  ALA  55           HB2      ALA  55  -1.977   6.082   3.696
  455    HB3  ALA  55           HB3      ALA  55  -2.886   4.669   4.232
  456    H    GLY  56           HN       GLY  56  -3.259   2.622   1.634
  457    HA2  GLY  56           HA2      GLY  56  -5.024   1.103   1.768
  458    HA3  GLY  56           HA1      GLY  56  -6.107   2.428   2.173
  459    H    GLY  57           HN       GLY  57  -4.342   3.396  -0.432
  460    HA2  GLY  57           HA2      GLY  57  -6.271   2.276  -2.360
  461    HA3  GLY  57           HA1      GLY  57  -5.886   3.989  -2.336
  462    H    ASP  58           HN       ASP  58  -5.497   3.113  -4.659
  463    HA   ASP  58           HA       ASP  58  -2.840   1.963  -4.973
  464    HB2  ASP  58           HB2      ASP  58  -4.336   0.918  -6.432
  465    HB3  ASP  58           HB1      ASP  58  -5.166   2.423  -6.815
  466    H    ALA  59           HN       ALA  59  -1.101   3.084  -5.526
  467    HA   ALA  59           HA       ALA  59  -1.461   5.823  -6.543
  468    HB1  ALA  59           HB1      ALA  59   0.502   6.507  -5.176
  469    HB2  ALA  59           HB2      ALA  59   0.437   4.933  -4.380
  470    HB3  ALA  59           HB3      ALA  59  -0.913   6.057  -4.222
  471    H    THR  60           HN       THR  60  -0.735   3.083  -7.679
  472    HA   THR  60           HA       THR  60   1.965   3.011  -8.417
  473    HB   THR  60           HB       THR  60  -0.318   2.095 -10.176
  474    HG1  THR  60           HG1      THR  60  -0.727   1.163  -8.211
  475   HG21  THR  60          HG21      THR  60   2.489   1.047  -9.814
  476   HG22  THR  60          HG22      THR  60   1.922   2.006 -11.178
  477   HG23  THR  60          HG23      THR  60   1.272   0.389 -10.904
  478    H    GLU  61           HN       GLU  61  -0.789   4.671  -9.782
  479    HA   GLU  61           HA       GLU  61   0.290   5.603 -12.167
  480    HB2  GLU  61           HB2      GLU  61  -1.351   7.613 -11.587
  481    HB3  GLU  61           HB1      GLU  61  -1.953   6.026 -12.050
  482    HG2  GLU  61           HG2      GLU  61  -2.977   5.776 -10.103
  483    HG3  GLU  61           HG1      GLU  61  -1.498   6.136  -9.217
  484    H    ASN  62           HN       ASN  62   0.303   7.130  -8.958
  485    HA   ASN  62           HA       ASN  62   1.777   9.423  -9.732
  486    HB2  ASN  62           HB2      ASN  62   0.644   8.337  -7.312
  487    HB3  ASN  62           HB1      ASN  62   2.263   8.965  -7.004
  488   HD21  ASN  62          HD21      ASN  62  -0.976   9.729  -8.011
  489   HD22  ASN  62          HD22      ASN  62  -0.831  11.447  -7.825
  490    H    PHE  63           HN       PHE  63   2.666   6.255  -8.532
  491    HA   PHE  63           HA       PHE  63   5.323   6.650  -7.828
  492    HB2  PHE  63           HB2      PHE  63   3.914   4.565  -7.523
  493    HB3  PHE  63           HB1      PHE  63   4.227   4.191  -9.210
  494    HD1  PHE  63           HD1      PHE  63   6.420   3.470  -9.935
  495    HD2  PHE  63           HD2      PHE  63   5.635   4.340  -5.846
  496    HE1  PHE  63           HE1      PHE  63   8.492   2.309  -9.294
  497    HE2  PHE  63           HE2      PHE  63   7.707   3.185  -5.196
  498    HZ   PHE  63           HZ       PHE  63   9.140   2.169  -6.923
  499    H    GLU  64           HN       GLU  64   3.977   5.743 -10.992
  500    HA   GLU  64           HA       GLU  64   6.565   5.949 -12.258
  501    HB2  GLU  64           HB2      GLU  64   5.168   5.525 -14.353
  502    HB3  GLU  64           HB1      GLU  64   5.219   4.249 -13.143
  503    HG2  GLU  64           HG2      GLU  64   3.054   4.863 -12.323
  504    HG3  GLU  64           HG1      GLU  64   3.009   6.272 -13.381
  505    H    ASP  65           HN       ASP  65   3.771   7.961 -11.813
  506    HA   ASP  65           HA       ASP  65   4.163   9.765 -13.943
  507    HB2  ASP  65           HB2      ASP  65   2.091   9.581 -12.546
  508    HB3  ASP  65           HB1      ASP  65   2.963  10.385 -11.242
  509    H    VAL  66           HN       VAL  66   5.216   9.876 -10.561
  510    HA   VAL  66           HA       VAL  66   6.667  12.319 -10.884
  511    HB   VAL  66           HB       VAL  66   6.839  10.227  -8.706
  512   HG11  VAL  66          HG11      VAL  66   8.848  11.739  -8.963
  513   HG12  VAL  66          HG12      VAL  66   8.045  11.797  -7.396
  514   HG13  VAL  66          HG13      VAL  66   7.781  13.085  -8.569
  515   HG21  VAL  66          HG21      VAL  66   4.626  11.244  -8.885
  516   HG22  VAL  66          HG22      VAL  66   5.352  12.852  -8.821
  517   HG23  VAL  66          HG23      VAL  66   5.448  11.783  -7.421
  518    H    GLY  67           HN       GLY  67   7.630   8.910 -10.531
  519    HA2  GLY  67           HA2      GLY  67   9.354   8.005 -11.977
  520    HA3  GLY  67           HA1      GLY  67  10.144   9.575 -11.922
  521    H    HIS  68           HN       HIS  68  10.284   6.506 -10.803
  522    HA   HIS  68           HA       HIS  68  11.733   7.317  -8.368
  523    HB2  HIS  68           HB2      HIS  68  10.012   4.924  -8.932
  524    HB3  HIS  68           HB1      HIS  68  11.266   4.846  -7.701
  525    HD1  HIS  68           HD1      HIS  68   8.012   6.635  -8.466
  526    HD2  HIS  68           HD2      HIS  68  10.664   6.035  -5.314
  527    HE1  HIS  68           HE1      HIS  68   6.871   7.526  -6.391
  528    H    SER  69           HN       SER  69  13.804   6.692  -8.166
  529    HA   SER  69           HA       SER  69  15.140   5.622 -10.457
  530    HB2  SER  69           HB2      SER  69  16.282   6.044  -7.691
  531    HB3  SER  69           HB1      SER  69  17.154   6.005  -9.222
  532    HG   SER  69           HG       SER  69  15.363   7.982  -8.256
  533    H    THR  70           HN       THR  70  16.821   3.817 -10.118
  534    HA   THR  70           HA       THR  70  15.528   1.389  -9.714
  535    HB   THR  70           HB       THR  70  18.495   1.591  -9.333
  536    HG1  THR  70           HG1      THR  70  18.797   2.370 -11.288
  537   HG21  THR  70          HG21      THR  70  16.715  -0.278 -10.905
  538   HG22  THR  70          HG22      THR  70  17.472  -0.620  -9.348
  539   HG23  THR  70          HG23      THR  70  18.468  -0.400 -10.788
  540    H    ASP  71           HN       ASP  71  17.756   3.123  -7.560
  541    HA   ASP  71           HA       ASP  71  17.886   1.258  -5.503
  542    HB2  ASP  71           HB2      ASP  71  19.356   3.213  -5.634
  543    HB3  ASP  71           HB1      ASP  71  17.993   4.277  -5.301
  544    H    ALA  72           HN       ALA  72  15.488   3.743  -6.146
  545    HA   ALA  72           HA       ALA  72  14.111   3.570  -3.691
  546    HB1  ALA  72           HB1      ALA  72  13.916   5.457  -5.269
  547    HB2  ALA  72           HB2      ALA  72  12.351   4.804  -4.788
  548    HB3  ALA  72           HB3      ALA  72  13.020   4.412  -6.371
  549    H    ARG  73           HN       ARG  73  13.405   2.101  -6.864
  550    HA   ARG  73           HA       ARG  73  11.137   0.689  -5.935
  551    HB2  ARG  73           HB2      ARG  73  11.307  -0.588  -8.051
  552    HB3  ARG  73           HB1      ARG  73  11.343   1.152  -8.276
  553    HG2  ARG  73           HG2      ARG  73  13.091   0.774  -9.590
  554    HG3  ARG  73           HG1      ARG  73  14.001   0.531  -8.097
  555    HD2  ARG  73           HD2      ARG  73  14.437  -1.337  -9.496
  556    HD3  ARG  73           HD1      ARG  73  13.358  -1.892  -8.216
  557    HE   ARG  73           HE       ARG  73  11.923  -1.051 -10.535
  558   HH11  ARG  73          HH11      ARG  73  13.762  -3.697  -9.120
  559   HH12  ARG  73          HH12      ARG  73  12.960  -4.944 -10.157
  560   HH21  ARG  73          HH21      ARG  73  10.890  -2.589 -11.857
  561   HH22  ARG  73          HH22      ARG  73  11.370  -4.320 -11.698
  562    H    GLU  74           HN       GLU  74  14.552  -0.131  -6.054
  563    HA   GLU  74           HA       GLU  74  14.188  -2.905  -5.488
  564    HB2  GLU  74           HB2      GLU  74  16.587  -1.097  -5.144
  565    HB3  GLU  74           HB1      GLU  74  16.622  -2.835  -4.883
  566    HG2  GLU  74           HG2      GLU  74  15.814  -1.575  -7.487
  567    HG3  GLU  74           HG1      GLU  74  17.467  -2.061  -7.109
  568    H    LEU  75           HN       LEU  75  14.447  -0.014  -3.556
  569    HA   LEU  75           HA       LEU  75  14.964  -1.261  -1.058
  570    HB2  LEU  75           HB2      LEU  75  15.466   1.067  -1.360
  571    HB3  LEU  75           HB1      LEU  75  13.805   1.422  -1.793
  572    HG   LEU  75           HG       LEU  75  13.173   0.744   0.571
  573   HD11  LEU  75          HD11      LEU  75  14.904   0.765   2.251
  574   HD12  LEU  75          HD12      LEU  75  16.137   1.029   1.019
  575   HD13  LEU  75          HD13      LEU  75  15.246  -0.491   1.061
  576   HD21  LEU  75          HD21      LEU  75  13.782   2.904   1.497
  577   HD22  LEU  75          HD22      LEU  75  13.302   3.077  -0.191
  578   HD23  LEU  75          HD23      LEU  75  15.009   3.114   0.249
  579    H    SER  76           HN       SER  76  12.053  -0.691  -2.896
  580    HA   SER  76           HA       SER  76  10.222  -0.913  -0.752
  581    HB2  SER  76           HB2      SER  76   8.499  -1.095  -2.422
  582    HB3  SER  76           HB1      SER  76   9.684   0.087  -2.978
  583    HG   SER  76           HG       SER  76  10.594  -1.599  -4.284
  584    H    LYS  77           HN       LYS  77  12.193  -3.240  -2.183
  585    HA   LYS  77           HA       LYS  77  10.482  -5.502  -2.046
  586    HB2  LYS  77           HB2      LYS  77  12.687  -5.269  -3.328
  587    HB3  LYS  77           HB1      LYS  77  13.483  -5.588  -1.793
  588    HG2  LYS  77           HG2      LYS  77  12.450  -7.757  -1.648
  589    HG3  LYS  77           HG1      LYS  77  11.498  -7.438  -3.100
  590    HD2  LYS  77           HD2      LYS  77  13.495  -7.361  -4.449
  591    HD3  LYS  77           HD1      LYS  77  14.511  -7.496  -3.015
  592    HE2  LYS  77           HE2      LYS  77  13.538  -9.721  -2.573
  593    HE3  LYS  77           HE1      LYS  77  12.608  -9.588  -4.063
  594    HZ1  LYS  77           HZ1      LYS  77  15.564  -9.666  -3.818
  595    HZ2  LYS  77           HZ2      LYS  77  14.739  -9.383  -5.261
  596    HZ3  LYS  77           HZ3      LYS  77  14.571 -10.865  -4.472
  597    H    THR  78           HN       THR  78  11.859  -3.626   0.394
  598    HA   THR  78           HA       THR  78  11.767  -5.865   2.288
  599    HB   THR  78           HB       THR  78  13.811  -4.330   2.189
  600    HG1  THR  78           HG1      THR  78  12.435  -4.626   4.672
  601   HG21  THR  78          HG21      THR  78  12.750  -2.173   2.056
  602   HG22  THR  78          HG22      THR  78  13.623  -2.274   3.582
  603   HG23  THR  78          HG23      THR  78  11.872  -2.461   3.556
  604    H    PHE  79           HN       PHE  79   9.722  -3.711   1.021
  605    HA   PHE  79           HA       PHE  79   8.288  -3.229   3.547
  606    HB2  PHE  79           HB2      PHE  79   8.021  -1.805   0.889
  607    HB3  PHE  79           HB1      PHE  79   7.074  -1.450   2.327
  608    HD1  PHE  79           HD2      PHE  79   9.210  -1.580   4.402
  609    HD2  PHE  79           HD1      PHE  79   9.179   0.163   0.521
  610    HE1  PHE  79           HE2      PHE  79  10.929   0.027   5.113
  611    HE2  PHE  79           HE1      PHE  79  10.900   1.771   1.224
  612    HZ   PHE  79           HZ       PHE  79  11.776   1.704   3.524
  613    H    ILE  80           HN       ILE  80   8.257  -5.049   0.692
  614    HA   ILE  80           HA       ILE  80   5.440  -5.298   0.350
  615    HB   ILE  80           HB       ILE  80   6.842  -5.753  -1.536
  616   HG12  ILE  80          HG12      ILE  80   6.164  -8.179  -2.043
  617   HG13  ILE  80          HG11      ILE  80   5.418  -8.168  -0.448
  618   HG21  ILE  80          HG21      ILE  80   8.867  -6.445  -0.439
  619   HG22  ILE  80          HG22      ILE  80   8.387  -7.673  -1.610
  620   HG23  ILE  80          HG23      ILE  80   8.102  -7.936   0.110
  621   HD11  ILE  80          HD11      ILE  80   3.850  -7.677  -2.293
  622   HD12  ILE  80          HD12      ILE  80   4.771  -6.213  -2.636
  623   HD13  ILE  80          HD13      ILE  80   3.947  -6.394  -1.089
  624    H    ILE  81           HN       ILE  81   4.097  -6.290   1.676
  625    HA   ILE  81           HA       ILE  81   5.064  -8.658   3.141
  626    HB   ILE  81           HB       ILE  81   3.755  -8.126   5.058
  627   HG12  ILE  81          HG12      ILE  81   1.859  -7.060   3.720
  628   HG13  ILE  81          HG11      ILE  81   2.230  -6.331   5.277
  629   HG21  ILE  81          HG21      ILE  81   5.318  -5.742   4.099
  630   HG22  ILE  81          HG22      ILE  81   5.897  -7.093   5.073
  631   HG23  ILE  81          HG23      ILE  81   4.743  -5.947   5.754
  632   HD11  ILE  81          HD11      ILE  81   3.662  -4.685   3.927
  633   HD12  ILE  81          HD12      ILE  81   1.905  -4.522   3.867
  634   HD13  ILE  81          HD13      ILE  81   2.769  -5.284   2.528
  635    H    GLY  82           HN       GLY  82   2.685  -7.356   1.056
  636    HA2  GLY  82           HA2      GLY  82   1.450  -9.926   0.801
  637    HA3  GLY  82           HA1      GLY  82   0.404  -8.762   1.596
  638    H    GLU  83           HN       GLU  83  -0.677  -9.654  -0.543
  639    HA   GLU  83           HA       GLU  83  -0.389  -7.490  -2.497
  640    HB2  GLU  83           HB2      GLU  83  -0.271 -10.439  -3.070
  641    HB3  GLU  83           HB1      GLU  83  -0.851  -9.309  -4.286
  642    HG2  GLU  83           HG2      GLU  83   1.317  -8.066  -3.979
  643    HG3  GLU  83           HG1      GLU  83   1.870  -9.441  -3.030
  644    H    LEU  84           HN       LEU  84  -2.285  -7.606  -4.096
  645    HA   LEU  84           HA       LEU  84  -4.698  -7.728  -2.514
  646    HB2  LEU  84           HB2      LEU  84  -3.886  -6.590  -5.114
  647    HB3  LEU  84           HB1      LEU  84  -5.551  -7.130  -5.022
  648    HG   LEU  84           HG       LEU  84  -5.356  -4.744  -4.533
  649   HD11  LEU  84          HD11      LEU  84  -6.624  -4.695  -2.483
  650   HD12  LEU  84          HD12      LEU  84  -6.079  -6.319  -2.068
  651   HD13  LEU  84          HD13      LEU  84  -7.129  -6.070  -3.463
  652   HD21  LEU  84          HD21      LEU  84  -3.092  -4.738  -3.628
  653   HD22  LEU  84          HD22      LEU  84  -3.655  -5.598  -2.194
  654   HD23  LEU  84          HD23      LEU  84  -4.225  -3.962  -2.521
  655    H    HIS  85           HN       HIS  85  -6.507  -8.959  -2.951
  656    HA   HIS  85           HA       HIS  85  -6.076 -11.626  -3.769
  657    HB2  HIS  85           HB2      HIS  85  -8.181 -10.110  -2.562
  658    HB3  HIS  85           HB1      HIS  85  -8.862 -10.999  -3.920
  659    HD1  HIS  85           HD1      HIS  85  -9.587 -13.307  -3.399
  660    HD2  HIS  85           HD2      HIS  85  -6.659 -11.946  -0.759
  661    HE1  HIS  85           HE1      HIS  85  -9.285 -15.144  -1.694
  662    HE2  HIS  85           HE2      HIS  85  -7.538 -14.283  -0.092
  663    HA   PRO  86           HA       PRO  86  -6.539 -11.419  -8.177
  664    HB2  PRO  86           HB2      PRO  86  -7.939 -13.746  -8.637
  665    HB3  PRO  86           HB1      PRO  86  -6.191 -13.672  -8.371
  666    HG2  PRO  86           HG2      PRO  86  -8.355 -14.366  -6.441
  667    HG3  PRO  86           HG1      PRO  86  -6.750 -15.096  -6.648
  668    HD2  PRO  86           HD2      PRO  86  -7.252 -13.373  -4.654
  669    HD3  PRO  86           HD1      PRO  86  -5.680 -13.412  -5.479
  670    H    ASP  87           HN       ASP  87  -9.300 -12.070  -6.146
  671    HA   ASP  87           HA       ASP  87 -11.368 -11.649  -7.991
  672    HB2  ASP  87           HB2      ASP  87 -11.486 -10.954  -5.051
  673    HB3  ASP  87           HB1      ASP  87 -12.812 -11.463  -6.092
  674    H    ASP  88           HN       ASP  88  -9.705  -9.444  -5.792
  675    HA   ASP  88           HA       ASP  88 -11.126  -7.143  -6.862
  676    HB2  ASP  88           HB2      ASP  88  -8.898  -7.264  -4.809
  677    HB3  ASP  88           HB1      ASP  88  -9.901  -5.864  -5.171
  678    H    ARG  89           HN       ARG  89  -8.956  -8.914  -8.235
  679    HA   ARG  89           HA       ARG  89  -7.233  -6.684  -9.076
  680    HB2  ARG  89           HB2      ARG  89  -6.164  -8.680  -7.897
  681    HB3  ARG  89           HB1      ARG  89  -6.533  -9.599  -9.348
  682    HG2  ARG  89           HG2      ARG  89  -5.217  -7.923 -10.651
  683    HG3  ARG  89           HG1      ARG  89  -4.728  -7.206  -9.114
  684    HD2  ARG  89           HD2      ARG  89  -4.256 -10.083  -9.895
  685    HD3  ARG  89           HD1      ARG  89  -3.061  -8.796 -10.048
  686    HE   ARG  89           HE       ARG  89  -4.212  -9.409  -7.412
  687   HH11  ARG  89          HH11      ARG  89  -1.460  -9.255  -9.599
  688   HH12  ARG  89          HH12      ARG  89  -0.259  -9.571  -8.293
  689   HH21  ARG  89          HH21      ARG  89  -2.723  -9.833  -5.724
  690   HH22  ARG  89          HH22      ARG  89  -0.954  -9.922  -6.129
  691    H    SER  90           HN       SER  90  -9.003  -9.554 -10.277
  692    HA   SER  90           HA       SER  90  -8.947  -8.251 -12.921
  693    HB2  SER  90           HB2      SER  90  -9.029 -11.207 -12.902
  694    HB3  SER  90           HB1      SER  90  -8.174 -10.106 -13.980
  695    HG   SER  90           HG       SER  90  -7.010  -9.792 -11.688
  696    H    LYS  91           HN       LYS  91 -11.016  -9.020 -10.529
  697    HA   LYS  91           HA       LYS  91 -13.130  -9.769 -12.446
  698    HB2  LYS  91           HB2      LYS  91 -13.323 -10.315  -9.495
  699    HB3  LYS  91           HB1      LYS  91 -14.288 -10.990 -10.794
  700    HG2  LYS  91           HG2      LYS  91 -12.250 -12.189 -11.590
  701    HG3  LYS  91           HG1      LYS  91 -11.424 -11.624 -10.136
  702    HD2  LYS  91           HD2      LYS  91 -13.552 -13.675 -10.444
  703    HD3  LYS  91           HD1      LYS  91 -12.153 -13.652  -9.369
  704    HE2  LYS  91           HE2      LYS  91 -13.322 -11.858  -8.052
  705    HE3  LYS  91           HE1      LYS  91 -14.746 -12.149  -9.045
  706    HZ1  LYS  91           HZ1      LYS  91 -15.047 -13.411  -7.125
  707    HZ2  LYS  91           HZ2      LYS  91 -13.453 -13.984  -7.112
  708    HZ3  LYS  91           HZ3      LYS  91 -14.551 -14.535  -8.286
  709    H    LEU  92           HN       LEU  92 -12.771  -8.275  -9.237
  710    HA   LEU  92           HA       LEU  92 -13.663  -6.427  -8.286
  711    HB2  LEU  92           HB2      LEU  92 -13.696  -5.722 -11.162
  712    HB3  LEU  92           HB1      LEU  92 -14.744  -4.774 -10.128
  713    HG   LEU  92           HG       LEU  92 -12.608  -3.660 -10.435
  714   HD11  LEU  92          HD11      LEU  92 -12.084  -3.204  -8.159
  715   HD12  LEU  92          HD12      LEU  92 -12.748  -4.751  -7.637
  716   HD13  LEU  92          HD13      LEU  92 -13.821  -3.498  -8.263
  717   HD21  LEU  92          HD21      LEU  92 -11.398  -6.135  -9.211
  718   HD22  LEU  92          HD22      LEU  92 -10.536  -4.636  -9.563
  719   HD23  LEU  92          HD23      LEU  92 -11.212  -5.597 -10.881
  720    H    SER  93           HN       SER  93 -15.260  -8.837  -9.004
  721    HA   SER  93           HA       SER  93 -17.959  -7.793  -9.263
  722    HB2  SER  93           HB2      SER  93 -17.246 -10.682  -8.806
  723    HB3  SER  93           HB1      SER  93 -18.630 -10.013  -9.669
  724    HG   SER  93           HG       SER  93 -17.453 -10.303 -11.381
  725    H    LYS  94           HN       LYS  94 -17.460  -6.637  -7.132
  726    HA   LYS  94           HA       LYS  94 -18.613  -8.223  -4.970
  727    HB2  LYS  94           HB2      LYS  94 -15.941  -6.852  -4.893
  728    HB3  LYS  94           HB1      LYS  94 -16.903  -6.985  -3.429
  729    HG2  LYS  94           HG2      LYS  94 -16.762  -9.326  -3.410
  730    HG3  LYS  94           HG1      LYS  94 -16.231  -9.388  -5.091
  731    HD2  LYS  94           HD2      LYS  94 -14.345  -9.829  -3.656
  732    HD3  LYS  94           HD1      LYS  94 -14.129  -8.256  -4.421
  733    HE2  LYS  94           HE2      LYS  94 -15.039  -7.203  -2.353
  734    HE3  LYS  94           HE1      LYS  94 -15.042  -8.795  -1.598
  735    HZ1  LYS  94           HZ1      LYS  94 -13.052  -7.504  -1.041
  736    HZ2  LYS  94           HZ2      LYS  94 -12.645  -7.414  -2.690
  737    HZ3  LYS  94           HZ3      LYS  94 -12.660  -8.912  -1.901
  738    HA   PRO  95           HA       PRO  95 -20.839  -4.359  -4.740
  739    HB2  PRO  95           HB2      PRO  95 -22.431  -4.981  -2.645
  740    HB3  PRO  95           HB1      PRO  95 -22.691  -5.658  -4.259
  741    HG2  PRO  95           HG2      PRO  95 -21.391  -6.904  -1.888
  742    HG3  PRO  95           HG1      PRO  95 -22.503  -7.623  -3.067
  743    HD2  PRO  95           HD2      PRO  95 -19.806  -7.987  -3.146
  744    HD3  PRO  95           HD1      PRO  95 -20.840  -8.035  -4.587
  745    H    MET  96           HN       MET  96 -21.166  -2.603  -3.163
  746    HA   MET  96           HA       MET  96 -19.142  -2.697  -1.024
  747    HB2  MET  96           HB2      MET  96 -18.506  -1.173  -2.842
  748    HB3  MET  96           HB1      MET  96 -20.015  -0.293  -2.632
  749    HG2  MET  96           HG2      MET  96 -19.364   0.465  -0.472
  750    HG3  MET  96           HG1      MET  96 -17.955  -0.591  -0.466
  751    HE1  MET  96           HE1      MET  96 -19.656   2.524  -2.061
  752    HE2  MET  96           HE2      MET  96 -19.255   1.600  -3.509
  753    HE3  MET  96           HE3      MET  96 -18.421   3.117  -3.172
  754    H    GLU  97           HN       GLU  97 -21.997  -0.765  -1.921
  755    HA   GLU  97           HA       GLU  97 -23.790  -0.033  -0.750
  756    HB2  GLU  97           HB2      GLU  97 -24.151  -2.382  -0.169
  757    HB3  GLU  97           HB1      GLU  97 -23.048  -2.231   1.190
  758    HG2  GLU  97           HG2      GLU  97 -24.582  -0.537   2.169
  759    HG3  GLU  97           HG1      GLU  97 -25.713  -0.878   0.861
  760    H    THR  98           HN       THR  98 -23.437   1.992  -0.061
  761    HA   THR  98           HA       THR  98 -22.699   2.459   2.641
  762    HB   THR  98           HB       THR  98 -20.457   2.056   1.448
  763    HG1  THR  98           HG1      THR  98 -19.861   3.047   3.199
  764   HG21  THR  98          HG21      THR  98 -19.496   3.911   0.237
  765   HG22  THR  98          HG22      THR  98 -20.963   4.866   0.459
  766   HG23  THR  98          HG23      THR  98 -20.992   3.422  -0.555
  767    H    LEU  99           HN       LEU  99 -22.344   4.955   2.945
  768    HA   LEU  99           HA       LEU  99 -23.260   7.025   2.899
  769    HB2  LEU  99           HB2      LEU  99 -23.317   6.331  -0.021
  770    HB3  LEU  99           HB1      LEU  99 -23.953   7.858   0.559
  771    HG   LEU  99           HG       LEU  99 -21.136   6.979   1.155
  772   HD11  LEU  99          HD11      LEU  99 -21.344   7.004  -1.245
  773   HD12  LEU  99          HD12      LEU  99 -20.452   8.432  -0.721
  774   HD13  LEU  99          HD13      LEU  99 -22.143   8.573  -1.194
  775   HD21  LEU  99          HD21      LEU  99 -22.035   8.746   2.564
  776   HD22  LEU  99          HD22      LEU  99 -22.503   9.670   1.134
  777   HD23  LEU  99          HD23      LEU  99 -20.796   9.385   1.486
  778    H    ILE 100           HN       ILE 100 -24.942   5.062   3.762
  779    HA   ILE 100           HA       ILE 100 -27.556   5.846   2.653
  780    HB   ILE 100           HB       ILE 100 -28.389   3.713   3.741
  781   HG12  ILE 100          HG12      ILE 100 -25.438   3.026   3.776
  782   HG13  ILE 100          HG11      ILE 100 -26.387   3.412   5.208
  783   HG21  ILE 100          HG21      ILE 100 -26.430   3.579   1.453
  784   HG22  ILE 100          HG22      ILE 100 -28.174   3.842   1.363
  785   HG23  ILE 100          HG23      ILE 100 -27.543   2.276   1.881
  786   HD11  ILE 100          HD11      ILE 100 -26.143   1.034   5.018
  787   HD12  ILE 100          HD12      ILE 100 -26.774   1.063   3.370
  788   HD13  ILE 100          HD13      ILE 100 -27.829   1.468   4.724
  789    H    THR 101           HN       THR 101 -25.838   7.099   4.786
  790    HA   THR 101           HA       THR 101 -27.940   7.316   6.797
  791    HB   THR 101           HB       THR 101 -25.069   7.061   7.679
  792    HG1  THR 101           HG1      THR 101 -26.875   4.907   7.933
  793   HG21  THR 101          HG21      THR 101 -26.065   6.565   9.838
  794   HG22  THR 101          HG22      THR 101 -27.680   6.619   9.134
  795   HG23  THR 101          HG23      THR 101 -26.708   8.088   9.219
  796    H    THR 102           HN       THR 102 -28.052   9.345   7.767
  797    HA   THR 102           HA       THR 102 -26.915  11.501   6.305
  798    HB   THR 102           HB       THR 102 -27.978  12.243   8.912
  799    HG1  THR 102           HG1      THR 102 -29.766  10.852   7.185
  800   HG21  THR 102          HG21      THR 102 -27.821  13.750   6.977
  801   HG22  THR 102          HG22      THR 102 -29.488  13.584   7.534
  802   HG23  THR 102          HG23      THR 102 -28.950  12.723   6.091
  803    H    VAL 103           HN       VAL 103 -24.813  11.966   6.466
  804    HA   VAL 103           HA       VAL 103 -23.565  11.943   9.133
  805    HB   VAL 103           HB       VAL 103 -21.380  11.831   7.882
  806   HG11  VAL 103          HG11      VAL 103 -23.323   9.549   7.562
  807   HG12  VAL 103          HG12      VAL 103 -22.277   9.863   8.943
  808   HG13  VAL 103          HG13      VAL 103 -21.574   9.416   7.393
  809   HG21  VAL 103          HG21      VAL 103 -21.463  10.993   5.558
  810   HG22  VAL 103          HG22      VAL 103 -22.118  12.621   5.716
  811   HG23  VAL 103          HG23      VAL 103 -23.209  11.246   5.551
  812    H    ASP 104           HN       ASP 104 -25.071  14.047   7.412
  813    HA   ASP 104           HA       ASP 104 -23.062  16.176   7.720
  814    HB2  ASP 104           HB2      ASP 104 -23.933  17.313   5.847
  815    HB3  ASP 104           HB1      ASP 104 -23.864  15.629   5.341
  816    HHB  HEM 400           HB       HEM 400  11.637   4.890  -1.967
  817    HHC  HEM 400           HC       HEM 400   5.328   4.745  -2.464
  818    HHD  HEM 400           HD       HEM 400   5.365  10.719  -4.555
  819    HMA  HEM 400          HMA1      HEM 400  13.931   5.500  -3.000
  820   HMAA  HEM 400          HMA2      HEM 400  13.751   6.142  -1.365
  821   HMAB  HEM 400          HMA3      HEM 400  14.761   6.986  -2.537
  822    HAA  HEM 400          HAA1      HEM 400  14.434   9.536  -2.909
  823   HAAA  HEM 400          HAA2      HEM 400  13.603  10.097  -4.351
  824    HBA  HEM 400          HBA1      HEM 400  14.626   7.366  -4.639
  825   HBAA  HEM 400          HBA2      HEM 400  15.893   8.549  -4.327
  826    HMB  HEM 400          HMB1      HEM 400  10.321   2.145  -2.130
  827   HMBA  HEM 400          HMB2      HEM 400   9.517   2.204  -0.558
  828   HMBB  HEM 400          HMB3      HEM 400  10.937   3.205  -0.876
  829    HAB  HEM 400           HAB      HEM 400   6.419   2.230  -2.340
  830    HBB  HEM 400          HBB1      HEM 400   7.300   2.711   0.618
  831   HBBA  HEM 400          HBB2      HEM 400   6.100   1.383  -0.080
  832    HMC  HEM 400          HMC1      HEM 400   2.260   6.659  -3.636
  833   HMCA  HEM 400          HMC2      HEM 400   2.951   6.051  -2.128
  834   HMCB  HEM 400          HMC3      HEM 400   3.294   5.247  -3.665
  835    HAC  HEM 400           HAC      HEM 400   3.240   9.785  -5.034
  836    HBC  HEM 400          HBC1      HEM 400   1.792   8.511  -2.574
  837   HBCA  HEM 400          HBC2      HEM 400   1.123   9.797  -3.835
  838    HMD  HEM 400          HMD1      HEM 400   5.991  12.479  -5.442
  839   HMDA  HEM 400          HMD2      HEM 400   7.399  13.339  -6.074
  840   HMDB  HEM 400          HMD3      HEM 400   6.902  13.548  -4.392
  841    HAD  HEM 400          HAD1      HEM 400   9.513  13.707  -5.342
  842   HADA  HEM 400          HAD2      HEM 400  10.794  13.024  -4.354
  843    HBD  HEM 400          HBD1      HEM 400  10.333  11.893  -7.086
  844   HBDA  HEM 400          HBD2      HEM 400  11.832  12.017  -6.163
  845    HHA  HEM 400           HA       HEM 400  11.691  10.744  -4.360
  Start of MODEL    8
    1    H1   MET   1           HT1      MET   1  20.189 -14.401  17.233
    2    H2   MET   1           HT2      MET   1  21.541 -14.170  18.222
    3    H3   MET   1           HT3      MET   1  21.585 -13.676  16.609
    4    HA   MET   1           HA       MET   1  20.046 -12.517  18.834
    5    HB2  MET   1           HB2      MET   1  22.456 -11.829  17.360
    6    HB3  MET   1           HB1      MET   1  21.280 -10.524  17.333
    7    HG2  MET   1           HG2      MET   1  22.769 -10.226  19.192
    8    HG3  MET   1           HG1      MET   1  21.158 -10.617  19.789
    9    HE1  MET   1           HE1      MET   1  24.954 -13.159  20.130
   10    HE2  MET   1           HE2      MET   1  24.852 -11.432  19.776
   11    HE3  MET   1           HE3      MET   1  24.394 -12.613  18.550
   12    H    ALA   2           HN       ALA   2  19.522 -10.100  17.450
   13    HA   ALA   2           HA       ALA   2  17.140 -10.843  16.081
   14    HB1  ALA   2           HB1      ALA   2  17.432  -8.789  17.478
   15    HB2  ALA   2           HB2      ALA   2  16.702  -8.509  15.898
   16    HB3  ALA   2           HB3      ALA   2  18.399  -8.109  16.169
   17    H    ALA   3           HN       ALA   3  17.501 -11.933  14.208
   18    HA   ALA   3           HA       ALA   3  18.367 -10.360  11.947
   19    HB1  ALA   3           HB1      ALA   3  20.494 -11.265  12.745
   20    HB2  ALA   3           HB2      ALA   3  20.055 -11.949  11.180
   21    HB3  ALA   3           HB3      ALA   3  19.840 -12.898  12.653
   22    H    GLN   4           HN       GLN   4  16.749 -10.682  10.566
   23    HA   GLN   4           HA       GLN   4  16.039 -13.366   9.776
   24    HB2  GLN   4           HB2      GLN   4  13.616 -13.058  10.154
   25    HB3  GLN   4           HB1      GLN   4  14.529 -13.105  11.653
   26    HG2  GLN   4           HG2      GLN   4  14.087 -10.935  12.158
   27    HG3  GLN   4           HG1      GLN   4  13.991 -10.448  10.465
   28   HE21  GLN   4          HE21      GLN   4  12.062  -9.350  10.777
   29   HE22  GLN   4          HE22      GLN   4  10.562 -10.171  11.029
   30    H    SER   5           HN       SER   5  15.544 -13.438   7.683
   31    HA   SER   5           HA       SER   5  14.795 -10.930   6.333
   32    HB2  SER   5           HB2      SER   5  16.563 -13.070   5.123
   33    HB3  SER   5           HB1      SER   5  16.225 -11.463   4.476
   34    HG   SER   5           HG       SER   5  17.295 -11.534   7.031
   35    H    ASP   6           HN       ASP   6  13.206 -13.111   7.407
   36    HA   ASP   6           HA       ASP   6  12.319 -14.859   5.374
   37    HB2  ASP   6           HB2      ASP   6  10.896 -13.896   7.869
   38    HB3  ASP   6           HB1      ASP   6  10.381 -15.252   6.870
   39    H    LYS   7           HN       LYS   7  11.397 -14.237   3.543
   40    HA   LYS   7           HA       LYS   7   9.477 -12.005   3.640
   41    HB2  LYS   7           HB2      LYS   7  11.248 -12.863   1.341
   42    HB3  LYS   7           HB1      LYS   7  10.016 -11.614   1.246
   43    HG2  LYS   7           HG2      LYS   7  12.377 -11.504   3.109
   44    HG3  LYS   7           HG1      LYS   7  12.349 -10.770   1.506
   45    HD2  LYS   7           HD2      LYS   7  10.297  -9.491   2.270
   46    HD3  LYS   7           HD1      LYS   7  10.653 -10.069   3.899
   47    HE2  LYS   7           HE2      LYS   7  12.950  -9.066   3.635
   48    HE3  LYS   7           HE1      LYS   7  12.374  -8.320   2.147
   49    HZ1  LYS   7           HZ1      LYS   7  12.198  -6.756   3.936
   50    HZ2  LYS   7           HZ2      LYS   7  11.332  -7.851   4.890
   51    HZ3  LYS   7           HZ3      LYS   7  10.632  -7.216   3.487
   52    H    ASP   8           HN       ASP   8   7.466 -12.356   2.899
   53    HA   ASP   8           HA       ASP   8   6.885 -14.707   1.272
   54    HB2  ASP   8           HB2      ASP   8   6.594 -15.053   3.905
   55    HB3  ASP   8           HB1      ASP   8   5.070 -14.227   3.595
   56    H    VAL   9           HN       VAL   9   4.210 -14.590   1.094
   57    HA   VAL   9           HA       VAL   9   3.580 -11.780   0.494
   58    HB   VAL   9           HB       VAL   9   4.150 -12.684  -1.637
   59   HG11  VAL   9          HG11      VAL   9   2.325 -15.001  -1.015
   60   HG12  VAL   9          HG12      VAL   9   4.083 -15.049  -1.156
   61   HG13  VAL   9          HG13      VAL   9   3.093 -14.704  -2.576
   62   HG21  VAL   9          HG21      VAL   9   2.224 -11.279  -1.759
   63   HG22  VAL   9          HG22      VAL   9   1.159 -12.603  -1.286
   64   HG23  VAL   9          HG23      VAL   9   1.966 -12.638  -2.853
   65    H    LYS  10           HN       LYS  10   2.095 -11.355   2.000
   66    HA   LYS  10           HA       LYS  10   0.095 -13.329   2.721
   67    HB2  LYS  10           HB2      LYS  10   0.876 -10.635   3.767
   68    HB3  LYS  10           HB1      LYS  10  -0.680 -11.324   4.205
   69    HG2  LYS  10           HG2      LYS  10   0.444 -13.289   5.112
   70    HG3  LYS  10           HG1      LYS  10   2.007 -12.593   4.680
   71    HD2  LYS  10           HD2      LYS  10   1.875 -10.957   6.314
   72    HD3  LYS  10           HD1      LYS  10   0.113 -11.040   6.395
   73    HE2  LYS  10           HE2      LYS  10   1.867 -13.321   7.268
   74    HE3  LYS  10           HE1      LYS  10   1.421 -12.010   8.361
   75    HZ1  LYS  10           HZ1      LYS  10  -0.552 -13.676   6.894
   76    HZ2  LYS  10           HZ2      LYS  10  -0.870 -12.555   8.124
   77    HZ3  LYS  10           HZ3      LYS  10  -0.050 -13.988   8.477
   78    H    TYR  11           HN       TYR  11  -1.754 -13.526   1.692
   79    HA   TYR  11           HA       TYR  11  -2.649 -11.477  -0.138
   80    HB2  TYR  11           HB2      TYR  11  -3.298 -14.315   0.375
   81    HB3  TYR  11           HB1      TYR  11  -4.639 -13.323  -0.185
   82    HD1  TYR  11           HD2      TYR  11  -1.002 -13.614  -1.050
   83    HD2  TYR  11           HD1      TYR  11  -5.023 -13.522  -2.437
   84    HE1  TYR  11           HE2      TYR  11  -0.202 -13.846  -3.366
   85    HE2  TYR  11           HE1      TYR  11  -4.238 -13.754  -4.752
   86    HH   TYR  11           HH       TYR  11  -1.015 -14.581  -5.525
   87    H    TYR  12           HN       TYR  12  -3.256  -9.771   1.112
   88    HA   TYR  12           HA       TYR  12  -5.108 -10.111   3.306
   89    HB2  TYR  12           HB2      TYR  12  -3.607  -7.810   2.127
   90    HB3  TYR  12           HB1      TYR  12  -5.014  -7.484   3.132
   91    HD1  TYR  12           HD2      TYR  12  -5.037  -8.342   5.503
   92    HD2  TYR  12           HD1      TYR  12  -1.533  -8.395   3.090
   93    HE1  TYR  12           HE2      TYR  12  -3.655  -8.578   7.521
   94    HE2  TYR  12           HE1      TYR  12  -0.145  -8.634   5.104
   95    HH   TYR  12           HH       TYR  12  -1.386  -9.494   8.091
   96    H    THR  13           HN       THR  13  -7.078  -8.773   3.434
   97    HA   THR  13           HA       THR  13  -8.629  -9.060   1.001
   98    HB   THR  13           HB       THR  13 -10.244  -7.952   3.019
   99    HG1  THR  13           HG1      THR  13  -9.685  -9.712   4.649
  100   HG21  THR  13          HG21      THR  13 -11.359 -10.050   2.966
  101   HG22  THR  13          HG22      THR  13  -9.901 -10.888   2.440
  102   HG23  THR  13          HG23      THR  13 -10.728  -9.784   1.341
  103    H    LEU  14           HN       LEU  14  -9.894  -7.342   0.116
  104    HA   LEU  14           HA       LEU  14  -8.495  -4.914  -0.171
  105    HB2  LEU  14           HB2      LEU  14  -9.999  -5.922  -1.872
  106    HB3  LEU  14           HB1      LEU  14 -11.373  -5.510  -0.865
  107    HG   LEU  14           HG       LEU  14 -10.776  -3.109  -1.104
  108   HD11  LEU  14          HD11      LEU  14  -9.216  -2.490  -2.912
  109   HD12  LEU  14          HD12      LEU  14  -8.738  -4.184  -3.045
  110   HD13  LEU  14          HD13      LEU  14  -8.419  -3.290  -1.557
  111   HD21  LEU  14          HD21      LEU  14 -11.546  -2.906  -3.419
  112   HD22  LEU  14          HD22      LEU  14 -12.471  -4.114  -2.527
  113   HD23  LEU  14          HD23      LEU  14 -11.228  -4.623  -3.670
  114    H    GLU  15           HN       GLU  15 -11.271  -5.826   1.824
  115    HA   GLU  15           HA       GLU  15 -11.731  -3.115   2.681
  116    HB2  GLU  15           HB2      GLU  15 -13.506  -3.972   3.986
  117    HB3  GLU  15           HB1      GLU  15 -13.498  -4.935   2.515
  118    HG2  GLU  15           HG2      GLU  15 -11.987  -5.935   4.867
  119    HG3  GLU  15           HG1      GLU  15 -13.744  -6.033   4.890
  120    H    GLU  16           HN       GLU  16  -9.634  -5.638   3.580
  121    HA   GLU  16           HA       GLU  16  -9.350  -4.881   6.340
  122    HB2  GLU  16           HB2      GLU  16  -8.974  -7.204   5.387
  123    HB3  GLU  16           HB1      GLU  16  -7.463  -6.591   4.734
  124    HG2  GLU  16           HG2      GLU  16  -7.190  -7.797   6.864
  125    HG3  GLU  16           HG1      GLU  16  -6.630  -6.127   6.933
  126    H    ILE  17           HN       ILE  17  -7.446  -4.464   3.372
  127    HA   ILE  17           HA       ILE  17  -5.284  -3.149   4.626
  128    HB   ILE  17           HB       ILE  17  -4.708  -2.318   2.333
  129   HG12  ILE  17          HG12      ILE  17  -6.173  -3.783   0.597
  130   HG13  ILE  17          HG11      ILE  17  -7.409  -3.409   1.792
  131   HG21  ILE  17          HG21      ILE  17  -4.166  -4.540   1.456
  132   HG22  ILE  17          HG22      ILE  17  -5.292  -5.262   2.606
  133   HG23  ILE  17          HG23      ILE  17  -3.852  -4.426   3.187
  134   HD11  ILE  17          HD11      ILE  17  -7.276  -1.816  -0.118
  135   HD12  ILE  17          HD12      ILE  17  -5.687  -1.328   0.472
  136   HD13  ILE  17          HD13      ILE  17  -7.117  -1.069   1.472
  137    H    LYS  18           HN       LYS  18  -8.381  -2.009   3.522
  138    HA   LYS  18           HA       LYS  18  -7.570   0.776   3.845
  139    HB2  LYS  18           HB2      LYS  18  -9.762   1.356   2.978
  140    HB3  LYS  18           HB1      LYS  18  -8.982   0.192   1.919
  141    HG2  LYS  18           HG2      LYS  18 -10.822  -1.024   2.016
  142    HG3  LYS  18           HG1      LYS  18 -10.472  -1.334   3.716
  143    HD2  LYS  18           HD2      LYS  18 -12.649  -0.491   3.739
  144    HD3  LYS  18           HD1      LYS  18 -11.652   0.901   4.165
  145    HE2  LYS  18           HE2      LYS  18 -12.349   0.414   1.301
  146    HE3  LYS  18           HE1      LYS  18 -13.558   1.113   2.374
  147    HZ1  LYS  18           HZ1      LYS  18 -10.856   2.217   1.834
  148    HZ2  LYS  18           HZ2      LYS  18 -11.982   2.883   2.908
  149    HZ3  LYS  18           HZ3      LYS  18 -12.319   2.829   1.251
  150    H    LYS  19           HN       LYS  19  -8.326  -1.563   5.892
  151    HA   LYS  19           HA       LYS  19  -9.984   0.130   7.638
  152    HB2  LYS  19           HB2      LYS  19 -10.283  -2.533   6.968
  153    HB3  LYS  19           HB1      LYS  19  -9.492  -2.608   8.537
  154    HG2  LYS  19           HG2      LYS  19 -11.587  -2.486   9.324
  155    HG3  LYS  19           HG1      LYS  19 -11.389  -0.755   9.037
  156    HD2  LYS  19           HD2      LYS  19 -13.272  -0.989   7.833
  157    HD3  LYS  19           HD1      LYS  19 -12.181  -1.596   6.588
  158    HE2  LYS  19           HE2      LYS  19 -14.039  -3.121   6.844
  159    HE3  LYS  19           HE1      LYS  19 -12.558  -3.886   7.417
  160    HZ1  LYS  19           HZ1      LYS  19 -13.481  -2.781   9.666
  161    HZ2  LYS  19           HZ2      LYS  19 -13.814  -4.366   9.192
  162    HZ3  LYS  19           HZ3      LYS  19 -14.940  -3.138   8.885
  163    H    HIS  20           HN       HIS  20  -7.011  -1.701   7.406
  164    HA   HIS  20           HA       HIS  20  -6.232  -0.962  10.112
  165    HB2  HIS  20           HB2      HIS  20  -5.302  -2.900   8.078
  166    HB3  HIS  20           HB1      HIS  20  -4.054  -2.215   9.112
  167    HD1  HIS  20           HD1      HIS  20  -6.990  -4.541   9.161
  168    HD2  HIS  20           HD2      HIS  20  -4.222  -2.936  11.830
  169    HE1  HIS  20           HE1      HIS  20  -7.180  -5.916  11.251
  170    HE2  HIS  20           HE2      HIS  20  -5.624  -4.825  12.900
  171    H    ASN  21           HN       ASN  21  -6.447   0.835   7.582
  172    HA   ASN  21           HA       ASN  21  -3.766   1.768   7.185
  173    HB2  ASN  21           HB2      ASN  21  -4.810   3.534   5.815
  174    HB3  ASN  21           HB1      ASN  21  -5.379   1.931   5.374
  175   HD21  ASN  21          HD21      ASN  21  -6.652   4.367   4.747
  176   HD22  ASN  21          HD22      ASN  21  -8.195   4.372   5.532
  177    H    HIS  22           HN       HIS  22  -3.345   2.029   9.495
  178    HA   HIS  22           HA       HIS  22  -4.306   4.626  10.506
  179    HB2  HIS  22           HB2      HIS  22  -3.377   2.166  11.988
  180    HB3  HIS  22           HB1      HIS  22  -3.607   3.727  12.768
  181    HD1  HIS  22           HD1      HIS  22  -6.031   4.537  13.113
  182    HD2  HIS  22           HD2      HIS  22  -5.739   0.797  11.327
  183    HE1  HIS  22           HE1      HIS  22  -8.344   3.562  13.204
  184    HE2  HIS  22           HE2      HIS  22  -8.176   1.366  11.986
  185    H    SER  23           HN       SER  23  -2.564   5.461  12.236
  186    HA   SER  23           HA       SER  23  -0.278   6.147  10.704
  187    HB2  SER  23           HB2      SER  23   0.412   7.065  13.097
  188    HB3  SER  23           HB1      SER  23  -0.867   7.838  12.158
  189    HG   SER  23           HG       SER  23  -1.008   6.499  14.534
  190    H    LYS  24           HN       LYS  24  -0.979   3.500  12.706
  191    HA   LYS  24           HA       LYS  24   1.866   2.895  13.105
  192    HB2  LYS  24           HB2      LYS  24   1.087   1.206  14.730
  193    HB3  LYS  24           HB1      LYS  24   0.537   2.823  15.142
  194    HG2  LYS  24           HG2      LYS  24  -1.362   1.349  13.482
  195    HG3  LYS  24           HG1      LYS  24  -1.033   0.577  15.034
  196    HD2  LYS  24           HD2      LYS  24  -1.545   3.504  15.018
  197    HD3  LYS  24           HD1      LYS  24  -2.916   2.427  14.746
  198    HE2  LYS  24           HE2      LYS  24  -2.405   1.251  16.825
  199    HE3  LYS  24           HE1      LYS  24  -1.025   2.311  17.096
  200    HZ1  LYS  24           HZ1      LYS  24  -2.456   4.158  17.377
  201    HZ2  LYS  24           HZ2      LYS  24  -3.083   2.916  18.335
  202    HZ3  LYS  24           HZ3      LYS  24  -3.813   3.294  16.859
  203    H    SER  25           HN       SER  25  -0.272   2.465  10.800
  204    HA   SER  25           HA       SER  25   0.955   0.076   9.779
  205    HB2  SER  25           HB2      SER  25  -2.055   0.007  10.098
  206    HB3  SER  25           HB1      SER  25  -0.986  -1.296   9.576
  207    HG   SER  25           HG       SER  25  -0.097  -0.625  11.924
  208    H    THR  26           HN       THR  26   1.268   2.447   8.710
  209    HA   THR  26           HA       THR  26  -0.785   3.137   6.822
  210    HB   THR  26           HB       THR  26   2.069   4.102   6.780
  211    HG1  THR  26           HG1      THR  26   0.068   4.519   8.644
  212   HG21  THR  26          HG21      THR  26   1.130   6.084   5.774
  213   HG22  THR  26          HG22      THR  26  -0.507   5.470   5.991
  214   HG23  THR  26          HG23      THR  26   0.589   4.677   4.861
  215    H    TRP  27           HN       TRP  27  -1.125   1.374   5.510
  216    HA   TRP  27           HA       TRP  27   1.114   0.355   3.922
  217    HB2  TRP  27           HB2      TRP  27  -1.755  -0.614   4.072
  218    HB3  TRP  27           HB1      TRP  27  -0.439  -1.409   3.219
  219    HD1  TRP  27           HD1      TRP  27   1.580  -0.844   5.875
  220    HE1  TRP  27           HE1      TRP  27   1.373  -2.527   7.807
  221    HE3  TRP  27           HE3      TRP  27  -3.015  -2.786   4.767
  222    HZ2  TRP  27           HZ2      TRP  27  -0.491  -4.432   8.739
  223    HZ3  TRP  27           HZ3      TRP  27  -3.937  -4.540   6.224
  224    HH2  TRP  27           HH2      TRP  27  -2.701  -5.347   8.170
  225    H    LEU  28           HN       LEU  28   1.236   0.592   1.732
  226    HA   LEU  28           HA       LEU  28  -0.869   2.210   0.442
  227    HB2  LEU  28           HB2      LEU  28   2.089   2.509   0.416
  228    HB3  LEU  28           HB1      LEU  28   1.240   2.817  -1.084
  229    HG   LEU  28           HG       LEU  28  -0.215   4.309   0.699
  230   HD11  LEU  28          HD11      LEU  28   1.481   3.803   2.454
  231   HD12  LEU  28          HD12      LEU  28   1.304   5.524   2.101
  232   HD13  LEU  28          HD13      LEU  28   2.685   4.629   1.459
  233   HD21  LEU  28          HD21      LEU  28   0.992   6.238  -0.288
  234   HD22  LEU  28          HD22      LEU  28   0.468   5.057  -1.488
  235   HD23  LEU  28          HD23      LEU  28   2.158   5.111  -0.983
  236    H    ILE  29           HN       ILE  29  -1.527   1.573  -1.581
  237    HA   ILE  29           HA       ILE  29  -0.491  -1.018  -2.470
  238    HB   ILE  29           HB       ILE  29  -3.030   0.435  -3.234
  239   HG12  ILE  29          HG12      ILE  29  -2.538  -2.084  -1.624
  240   HG13  ILE  29          HG11      ILE  29  -3.117  -0.544  -0.998
  241   HG21  ILE  29          HG21      ILE  29  -3.607  -1.562  -4.521
  242   HG22  ILE  29          HG22      ILE  29  -2.037  -2.269  -4.137
  243   HG23  ILE  29          HG23      ILE  29  -2.129  -0.817  -5.132
  244   HD11  ILE  29          HD11      ILE  29  -4.582  -2.287  -2.963
  245   HD12  ILE  29          HD12      ILE  29  -5.167  -0.774  -2.269
  246   HD13  ILE  29          HD13      ILE  29  -4.912  -2.181  -1.235
  247    H    LEU  30           HN       LEU  30   1.029  -0.954  -3.958
  248    HA   LEU  30           HA       LEU  30   0.871   1.105  -6.066
  249    HB2  LEU  30           HB2      LEU  30   3.450  -0.082  -5.074
  250    HB3  LEU  30           HB1      LEU  30   3.232   1.326  -6.092
  251    HG   LEU  30           HG       LEU  30   2.314   1.259  -3.224
  252   HD11  LEU  30          HD11      LEU  30   4.415   2.472  -2.719
  253   HD12  LEU  30          HD12      LEU  30   4.985   2.084  -4.341
  254   HD13  LEU  30          HD13      LEU  30   4.664   0.791  -3.186
  255   HD21  LEU  30          HD21      LEU  30   3.051   3.591  -4.988
  256   HD22  LEU  30          HD22      LEU  30   2.285   3.640  -3.401
  257   HD23  LEU  30          HD23      LEU  30   1.403   2.996  -4.785
  258    H    HIS  31           HN       HIS  31   0.491   0.207  -7.949
  259    HA   HIS  31           HA       HIS  31   0.497  -1.203  -9.713
  260    HB2  HIS  31           HB2      HIS  31   3.090  -1.785  -8.425
  261    HB3  HIS  31           HB1      HIS  31   2.480  -3.048  -9.491
  262    HD1  HIS  31           HD1      HIS  31   3.883  -2.750 -11.536
  263    HD2  HIS  31           HD2      HIS  31   2.319   0.841 -10.163
  264    HE1  HIS  31           HE1      HIS  31   4.435  -1.052 -13.306
  265    HE2  HIS  31           HE2      HIS  31   3.238   1.051 -12.570
  266    H    HIS  32           HN       HIS  32  -1.119  -1.714  -7.516
  267    HA   HIS  32           HA       HIS  32  -2.658  -3.226  -6.831
  268    HB2  HIS  32           HB2      HIS  32  -1.422  -5.005  -8.940
  269    HB3  HIS  32           HB1      HIS  32  -2.924  -5.343  -8.086
  270    HD1  HIS  32           HD1      HIS  32  -1.563  -3.549 -10.977
  271    HD2  HIS  32           HD2      HIS  32  -5.043  -3.478  -8.708
  272    HE1  HIS  32           HE1      HIS  32  -3.222  -2.238 -12.331
  273    HE2  HIS  32           HE2      HIS  32  -5.236  -2.017 -10.831
  274    H    LYS  33           HN       LYS  33   0.068  -3.130  -5.630
  275    HA   LYS  33           HA       LYS  33  -0.102  -5.705  -4.220
  276    HB2  LYS  33           HB2      LYS  33   2.454  -4.256  -4.953
  277    HB3  LYS  33           HB1      LYS  33   2.349  -5.720  -3.983
  278    HG2  LYS  33           HG2      LYS  33   1.214  -6.767  -6.017
  279    HG3  LYS  33           HG1      LYS  33   1.812  -5.368  -6.912
  280    HD2  LYS  33           HD2      LYS  33   4.096  -5.909  -6.223
  281    HD3  LYS  33           HD1      LYS  33   3.494  -7.310  -5.334
  282    HE2  LYS  33           HE2      LYS  33   2.581  -8.201  -7.463
  283    HE3  LYS  33           HE1      LYS  33   3.346  -6.854  -8.310
  284    HZ1  LYS  33           HZ1      LYS  33   4.731  -8.956  -6.736
  285    HZ2  LYS  33           HZ2      LYS  33   5.491  -7.634  -7.472
  286    HZ3  LYS  33           HZ3      LYS  33   4.728  -8.803  -8.419
  287    H    VAL  34           HN       VAL  34   0.596  -5.607  -1.975
  288    HA   VAL  34           HA       VAL  34   0.076  -2.940  -0.853
  289    HB   VAL  34           HB       VAL  34   0.050  -5.552   0.658
  290   HG11  VAL  34          HG11      VAL  34  -1.320  -4.296   2.252
  291   HG12  VAL  34          HG12      VAL  34  -1.162  -2.856   1.248
  292   HG13  VAL  34          HG13      VAL  34   0.261  -3.549   2.024
  293   HG21  VAL  34          HG21      VAL  34  -1.570  -5.668  -1.178
  294   HG22  VAL  34          HG22      VAL  34  -2.289  -4.150  -0.637
  295   HG23  VAL  34          HG23      VAL  34  -2.372  -5.580   0.392
  296    H    TYR  35           HN       TYR  35   1.669  -1.812  -0.008
  297    HA   TYR  35           HA       TYR  35   4.071  -3.224   0.966
  298    HB2  TYR  35           HB2      TYR  35   3.940  -0.443  -0.227
  299    HB3  TYR  35           HB1      TYR  35   5.391  -1.276   0.310
  300    HD1  TYR  35           HD1      TYR  35   2.747  -1.221  -2.261
  301    HD2  TYR  35           HD2      TYR  35   6.508  -2.841  -1.104
  302    HE1  TYR  35           HE1      TYR  35   3.060  -2.107  -4.530
  303    HE2  TYR  35           HE2      TYR  35   6.824  -3.729  -3.371
  304    HH   TYR  35           HH       TYR  35   4.679  -2.889  -5.985
  305    H    ASP  36           HN       ASP  36   4.805  -2.694   2.974
  306    HA   ASP  36           HA       ASP  36   3.211  -0.737   4.485
  307    HB2  ASP  36           HB2      ASP  36   3.100  -2.843   5.582
  308    HB3  ASP  36           HB1      ASP  36   4.824  -3.131   5.369
  309    H    LEU  37           HN       LEU  37   4.106   1.098   5.019
  310    HA   LEU  37           HA       LEU  37   6.985   1.276   5.432
  311    HB2  LEU  37           HB2      LEU  37   7.133   3.314   4.047
  312    HB3  LEU  37           HB1      LEU  37   6.747   1.889   3.102
  313    HG   LEU  37           HG       LEU  37   4.492   3.593   4.040
  314   HD11  LEU  37          HD11      LEU  37   6.268   4.298   1.708
  315   HD12  LEU  37          HD12      LEU  37   6.127   5.212   3.210
  316   HD13  LEU  37          HD13      LEU  37   4.742   5.077   2.126
  317   HD21  LEU  37          HD21      LEU  37   3.536   2.888   1.918
  318   HD22  LEU  37          HD22      LEU  37   4.105   1.490   2.831
  319   HD23  LEU  37          HD23      LEU  37   5.053   2.106   1.476
  320    H    THR  38           HN       THR  38   4.686   1.266   7.150
  321    HA   THR  38           HA       THR  38   3.865   3.823   7.933
  322    HB   THR  38           HB       THR  38   2.992   1.460   8.607
  323    HG1  THR  38           HG1      THR  38   3.013   3.824  10.154
  324   HG21  THR  38          HG21      THR  38   4.823   2.019  10.940
  325   HG22  THR  38          HG22      THR  38   5.077   0.756   9.739
  326   HG23  THR  38          HG23      THR  38   3.667   0.692  10.795
  327    H    LYS  39           HN       LYS  39   6.875   2.237   8.381
  328    HA   LYS  39           HA       LYS  39   7.661   4.240  10.384
  329    HB2  LYS  39           HB2      LYS  39   8.522   1.415   9.919
  330    HB3  LYS  39           HB1      LYS  39   9.675   2.550  10.609
  331    HG2  LYS  39           HG2      LYS  39   6.942   2.052  11.760
  332    HG3  LYS  39           HG1      LYS  39   8.400   1.198  12.274
  333    HD2  LYS  39           HD2      LYS  39   9.428   3.336  12.884
  334    HD3  LYS  39           HD1      LYS  39   7.966   4.184  12.379
  335    HE2  LYS  39           HE2      LYS  39   6.679   3.029  14.086
  336    HE3  LYS  39           HE1      LYS  39   8.109   2.115  14.567
  337    HZ1  LYS  39           HZ1      LYS  39   9.165   4.175  15.238
  338    HZ2  LYS  39           HZ2      LYS  39   7.686   3.991  16.039
  339    HZ3  LYS  39           HZ3      LYS  39   7.818   5.064  14.742
  340    H    PHE  40           HN       PHE  40   7.538   4.430   7.384
  341    HA   PHE  40           HA       PHE  40  10.311   5.347   7.012
  342    HB2  PHE  40           HB2      PHE  40   9.581   3.126   5.787
  343    HB3  PHE  40           HB1      PHE  40   8.782   4.239   4.684
  344    HD1  PHE  40           HD1      PHE  40  12.063   3.387   6.164
  345    HD2  PHE  40           HD2      PHE  40   9.987   5.329   3.007
  346    HE1  PHE  40           HE1      PHE  40  14.190   3.705   4.971
  347    HE2  PHE  40           HE2      PHE  40  12.106   5.654   1.802
  348    HZ   PHE  40           HZ       PHE  40  14.214   4.840   2.783
  349    H    LEU  41           HN       LEU  41   7.289   6.308   7.390
  350    HA   LEU  41           HA       LEU  41   6.731   7.949   5.152
  351    HB2  LEU  41           HB2      LEU  41   5.799   8.411   7.982
  352    HB3  LEU  41           HB1      LEU  41   5.031   8.957   6.506
  353    HG   LEU  41           HG       LEU  41   5.321   6.039   7.197
  354   HD11  LEU  41          HD11      LEU  41   4.042   7.105   8.959
  355   HD12  LEU  41          HD12      LEU  41   2.987   6.126   7.937
  356   HD13  LEU  41          HD13      LEU  41   3.003   7.883   7.761
  357   HD21  LEU  41          HD21      LEU  41   3.518   7.505   5.273
  358   HD22  LEU  41          HD22      LEU  41   3.528   5.767   5.563
  359   HD23  LEU  41          HD23      LEU  41   4.934   6.546   4.841
  360    H    GLU  42           HN       GLU  42   8.259   8.609   8.283
  361    HA   GLU  42           HA       GLU  42   8.702  11.380   7.665
  362    HB2  GLU  42           HB2      GLU  42   9.986  11.409   9.780
  363    HB3  GLU  42           HB1      GLU  42   8.377  10.727   9.971
  364    HG2  GLU  42           HG2      GLU  42   9.818   8.492   9.478
  365    HG3  GLU  42           HG1      GLU  42  11.013   9.484  10.314
  366    H    GLU  43           HN       GLU  43  10.193   8.570   6.692
  367    HA   GLU  43           HA       GLU  43  12.805   9.870   6.326
  368    HB2  GLU  43           HB2      GLU  43  11.964   6.971   6.287
  369    HB3  GLU  43           HB1      GLU  43  13.529   7.504   5.692
  370    HG2  GLU  43           HG2      GLU  43  13.942   8.501   7.955
  371    HG3  GLU  43           HG1      GLU  43  12.467   7.700   8.496
  372    H    HIS  44           HN       HIS  44  10.035   9.734   4.766
  373    HA   HIS  44           HA       HIS  44  11.056   8.964   2.149
  374    HB2  HIS  44           HB2      HIS  44   8.833   8.160   2.803
  375    HB3  HIS  44           HB1      HIS  44   8.290   9.820   3.027
  376    HD1  HIS  44           HD1      HIS  44   7.363  10.987   0.988
  377    HD2  HIS  44           HD2      HIS  44   9.361   7.457   0.074
  378    HE1  HIS  44           HE1      HIS  44   7.001  10.585  -1.478
  379    HA   PRO  45           HA       PRO  45  11.906  13.261   1.320
  380    HB2  PRO  45           HB2      PRO  45  12.963  12.916  -1.136
  381    HB3  PRO  45           HB1      PRO  45  13.846  12.479   0.334
  382    HG2  PRO  45           HG2      PRO  45  12.374  10.721  -1.566
  383    HG3  PRO  45           HG1      PRO  45  13.914  10.435  -0.732
  384    HD2  PRO  45           HD2      PRO  45  11.514   9.386   0.083
  385    HD3  PRO  45           HD1      PRO  45  12.893   9.672   1.160
  386    H    GLY  46           HN       GLY  46  10.216  14.535   0.875
  387    HA2  GLY  46           HA2      GLY  46   9.111  15.521  -1.170
  388    HA3  GLY  46           HA1      GLY  46   8.556  13.879  -1.477
  389    H    GLY  47           HN       GLY  47   8.491  13.923   1.702
  390    HA2  GLY  47           HA2      GLY  47   6.943  15.124   3.190
  391    HA3  GLY  47           HA1      GLY  47   5.820  15.168   1.841
  392    H    GLU  48           HN       GLU  48   5.170  14.209   4.367
  393    HA   GLU  48           HA       GLU  48   5.011  11.298   4.004
  394    HB2  GLU  48           HB2      GLU  48   4.269  11.325   6.420
  395    HB3  GLU  48           HB1      GLU  48   5.924  11.847   6.134
  396    HG2  GLU  48           HG2      GLU  48   5.320  14.145   6.396
  397    HG3  GLU  48           HG1      GLU  48   3.606  13.735   6.459
  398    H    GLU  49           HN       GLU  49   3.161  14.225   4.072
  399    HA   GLU  49           HA       GLU  49   0.615  13.224   4.652
  400    HB2  GLU  49           HB2      GLU  49   0.967  15.592   4.636
  401    HB3  GLU  49           HB1      GLU  49   1.482  15.558   2.953
  402    HG2  GLU  49           HG2      GLU  49  -0.743  14.986   2.235
  403    HG3  GLU  49           HG1      GLU  49  -1.284  14.861   3.908
  404    H    VAL  50           HN       VAL  50   2.360  13.474   1.601
  405    HA   VAL  50           HA       VAL  50   0.283  12.702  -0.106
  406    HB   VAL  50           HB       VAL  50   2.085  12.082  -1.712
  407   HG11  VAL  50          HG11      VAL  50   3.021  14.365  -1.877
  408   HG12  VAL  50          HG12      VAL  50   2.360  14.722  -0.282
  409   HG13  VAL  50          HG13      VAL  50   1.277  14.350  -1.624
  410   HG21  VAL  50          HG21      VAL  50   4.420  12.547  -1.087
  411   HG22  VAL  50          HG22      VAL  50   3.740  11.216  -0.153
  412   HG23  VAL  50          HG23      VAL  50   3.912  12.809   0.580
  413    H    LEU  51           HN       LEU  51   2.076  10.863   2.136
  414    HA   LEU  51           HA       LEU  51   1.502   8.335   0.789
  415    HB2  LEU  51           HB2      LEU  51   2.935   8.811   3.405
  416    HB3  LEU  51           HB1      LEU  51   2.867   7.308   2.505
  417    HG   LEU  51           HG       LEU  51   4.162   9.816   1.445
  418   HD11  LEU  51          HD11      LEU  51   5.436   7.455   2.822
  419   HD12  LEU  51          HD12      LEU  51   5.303   9.090   3.474
  420   HD13  LEU  51          HD13      LEU  51   6.293   8.789   2.045
  421   HD21  LEU  51          HD21      LEU  51   4.343   6.928   0.587
  422   HD22  LEU  51          HD22      LEU  51   5.219   8.280  -0.133
  423   HD23  LEU  51          HD23      LEU  51   3.460   8.202  -0.255
  424    H    ARG  52           HN       ARG  52   0.761  10.061   3.803
  425    HA   ARG  52           HA       ARG  52  -0.877   8.003   4.862
  426    HB2  ARG  52           HB2      ARG  52  -1.667   9.706   6.468
  427    HB3  ARG  52           HB1      ARG  52   0.086   9.647   6.346
  428    HG2  ARG  52           HG2      ARG  52   0.042  11.842   6.066
  429    HG3  ARG  52           HG1      ARG  52  -0.684  11.562   4.484
  430    HD2  ARG  52           HD2      ARG  52  -2.085  13.094   5.621
  431    HD3  ARG  52           HD1      ARG  52  -2.917  11.541   5.635
  432    HE   ARG  52           HE       ARG  52  -1.450  11.678   7.982
  433   HH11  ARG  52          HH11      ARG  52  -4.095  13.418   6.453
  434   HH12  ARG  52          HH12      ARG  52  -4.804  13.945   8.024
  435   HH21  ARG  52          HH21      ARG  52  -2.323  12.316   9.994
  436   HH22  ARG  52          HH22      ARG  52  -3.820  13.325  10.003
  437    H    GLU  53           HN       GLU  53  -1.509  10.637   2.651
  438    HA   GLU  53           HA       GLU  53  -4.371  10.411   2.903
  439    HB2  GLU  53           HB2      GLU  53  -4.519  12.079   1.208
  440    HB3  GLU  53           HB1      GLU  53  -3.184  12.531   2.255
  441    HG2  GLU  53           HG2      GLU  53  -1.605  11.625   0.616
  442    HG3  GLU  53           HG1      GLU  53  -2.957  11.209  -0.435
  443    H    GLN  54           HN       GLN  54  -2.149   8.420   1.677
  444    HA   GLN  54           HA       GLN  54  -3.994   7.328  -0.345
  445    HB2  GLN  54           HB2      GLN  54  -0.967   7.274  -0.349
  446    HB3  GLN  54           HB1      GLN  54  -1.986   6.414  -1.495
  447    HG2  GLN  54           HG2      GLN  54  -2.083   9.397  -1.151
  448    HG3  GLN  54           HG1      GLN  54  -0.992   8.597  -2.276
  449   HE21  GLN  54          HE21      GLN  54  -4.306   9.355  -1.549
  450   HE22  GLN  54          HE22      GLN  54  -4.939   8.955  -3.109
  451    H    ALA  55           HN       ALA  55  -3.262   6.958   2.645
  452    HA   ALA  55           HA       ALA  55  -2.195   4.352   2.935
  453    HB1  ALA  55           HB1      ALA  55  -3.947   5.849   4.873
  454    HB2  ALA  55           HB2      ALA  55  -2.208   6.075   4.717
  455    HB3  ALA  55           HB3      ALA  55  -2.849   4.519   5.240
  456    H    GLY  56           HN       GLY  56  -3.114   2.517   2.377
  457    HA2  GLY  56           HA2      GLY  56  -4.722   0.855   2.276
  458    HA3  GLY  56           HA1      GLY  56  -5.857   1.949   3.057
  459    H    GLY  57           HN       GLY  57  -4.217   3.156   0.306
  460    HA2  GLY  57           HA2      GLY  57  -6.554   2.566  -1.390
  461    HA3  GLY  57           HA1      GLY  57  -5.894   4.192  -1.283
  462    H    ASP  58           HN       ASP  58  -6.091   3.121  -3.717
  463    HA   ASP  58           HA       ASP  58  -3.590   1.844  -4.437
  464    HB2  ASP  58           HB2      ASP  58  -5.691   1.158  -5.539
  465    HB3  ASP  58           HB1      ASP  58  -5.873   2.779  -6.193
  466    H    ALA  59           HN       ALA  59  -1.834   3.012  -4.657
  467    HA   ALA  59           HA       ALA  59  -2.080   5.770  -5.671
  468    HB1  ALA  59           HB1      ALA  59   0.074   6.198  -4.528
  469    HB2  ALA  59           HB2      ALA  59   0.019   4.560  -3.876
  470    HB3  ALA  59           HB3      ALA  59  -1.216   5.734  -3.420
  471    H    THR  60           HN       THR  60  -1.811   3.127  -7.096
  472    HA   THR  60           HA       THR  60   0.662   2.667  -8.206
  473    HB   THR  60           HB       THR  60  -2.073   2.487  -9.471
  474    HG1  THR  60           HG1      THR  60  -1.945   1.003  -7.880
  475   HG21  THR  60          HG21      THR  60   0.500   1.273 -10.495
  476   HG22  THR  60          HG22      THR  60  -0.328   2.648 -11.221
  477   HG23  THR  60          HG23      THR  60  -1.107   1.068 -11.188
  478    H    GLU  61           HN       GLU  61  -1.809   4.939  -9.373
  479    HA   GLU  61           HA       GLU  61  -0.434   5.896 -11.599
  480    HB2  GLU  61           HB2      GLU  61  -1.901   7.969 -11.262
  481    HB3  GLU  61           HB1      GLU  61  -2.712   6.430 -11.502
  482    HG2  GLU  61           HG2      GLU  61  -3.040   6.250  -9.069
  483    HG3  GLU  61           HG1      GLU  61  -2.276   7.822  -8.865
  484    H    ASN  62           HN       ASN  62  -0.561   7.263  -8.317
  485    HA   ASN  62           HA       ASN  62   1.078   9.479  -8.784
  486    HB2  ASN  62           HB2      ASN  62   0.185   7.978  -6.377
  487    HB3  ASN  62           HB1      ASN  62   1.549   9.074  -6.188
  488   HD21  ASN  62          HD21      ASN  62  -1.262   9.152  -5.188
  489   HD22  ASN  62          HD22      ASN  62  -1.856  10.698  -5.677
  490    H    PHE  63           HN       PHE  63   1.902   6.179  -7.874
  491    HA   PHE  63           HA       PHE  63   4.579   6.583  -7.165
  492    HB2  PHE  63           HB2      PHE  63   3.166   4.514  -6.802
  493    HB3  PHE  63           HB1      PHE  63   3.477   4.101  -8.482
  494    HD1  PHE  63           HD2      PHE  63   5.279   4.955  -5.339
  495    HD2  PHE  63           HD1      PHE  63   5.298   2.784  -8.994
  496    HE1  PHE  63           HE2      PHE  63   7.376   3.855  -4.670
  497    HE2  PHE  63           HE1      PHE  63   7.393   1.679  -8.331
  498    HZ   PHE  63           HZ       PHE  63   8.436   2.214  -6.168
  499    H    GLU  64           HN       GLU  64   3.252   5.578 -10.331
  500    HA   GLU  64           HA       GLU  64   5.891   5.798 -11.496
  501    HB2  GLU  64           HB2      GLU  64   4.502   5.249 -13.643
  502    HB3  GLU  64           HB1      GLU  64   4.856   4.004 -12.457
  503    HG2  GLU  64           HG2      GLU  64   2.639   4.287 -11.489
  504    HG3  GLU  64           HG1      GLU  64   2.286   5.554 -12.665
  505    H    ASP  65           HN       ASP  65   3.176   7.840 -11.098
  506    HA   ASP  65           HA       ASP  65   3.550   9.481 -13.394
  507    HB2  ASP  65           HB2      ASP  65   1.504   9.422 -11.856
  508    HB3  ASP  65           HB1      ASP  65   2.439  10.426 -10.752
  509    H    VAL  66           HN       VAL  66   4.904   9.362 -10.199
  510    HA   VAL  66           HA       VAL  66   6.361  11.834 -10.432
  511    HB   VAL  66           HB       VAL  66   6.545   9.575  -8.431
  512   HG11  VAL  66          HG11      VAL  66   8.701  10.770  -8.689
  513   HG12  VAL  66          HG12      VAL  66   7.977  10.963  -7.094
  514   HG13  VAL  66          HG13      VAL  66   7.877  12.272  -8.271
  515   HG21  VAL  66          HG21      VAL  66   4.467  10.862  -8.354
  516   HG22  VAL  66          HG22      VAL  66   5.397  12.348  -8.188
  517   HG23  VAL  66          HG23      VAL  66   5.448  11.132  -6.916
  518    H    GLY  67           HN       GLY  67   7.067   8.386 -10.703
  519    HA2  GLY  67           HA2      GLY  67   8.703   7.415 -12.071
  520    HA3  GLY  67           HA1      GLY  67   9.425   9.009 -12.293
  521    H    HIS  68           HN       HIS  68   9.563   6.082 -10.570
  522    HA   HIS  68           HA       HIS  68  11.353   7.226  -8.544
  523    HB2  HIS  68           HB2      HIS  68   9.712   4.715  -8.664
  524    HB3  HIS  68           HB1      HIS  68  11.088   4.826  -7.568
  525    HD1  HIS  68           HD1      HIS  68   7.825   6.690  -8.278
  526    HD2  HIS  68           HD2      HIS  68  10.539   5.982  -5.205
  527    HE1  HIS  68           HE1      HIS  68   6.855   7.771  -6.209
  528    H    SER  69           HN       SER  69  13.420   6.541  -8.302
  529    HA   SER  69           HA       SER  69  14.880   5.737 -10.514
  530    HB2  SER  69           HB2      SER  69  16.030   5.049  -7.892
  531    HB3  SER  69           HB1      SER  69  16.658   6.105  -9.159
  532    HG   SER  69           HG       SER  69  15.553   6.843  -6.905
  533    H    THR  70           HN       THR  70  16.088   3.788 -10.928
  534    HA   THR  70           HA       THR  70  14.559   1.452 -10.820
  535    HB   THR  70           HB       THR  70  17.154   0.565 -11.182
  536    HG1  THR  70           HG1      THR  70  18.139   2.523 -11.229
  537   HG21  THR  70          HG21      THR  70  15.380   1.751 -13.316
  538   HG22  THR  70          HG22      THR  70  15.107   0.176 -12.581
  539   HG23  THR  70          HG23      THR  70  16.574   0.470 -13.507
  540    H    ASP  71           HN       ASP  71  17.160   2.605  -8.730
  541    HA   ASP  71           HA       ASP  71  17.305   0.163  -7.237
  542    HB2  ASP  71           HB2      ASP  71  19.082   2.079  -7.505
  543    HB3  ASP  71           HB1      ASP  71  18.244   2.780  -6.124
  544    H    ALA  72           HN       ALA  72  15.460   3.084  -7.076
  545    HA   ALA  72           HA       ALA  72  14.583   2.915  -4.395
  546    HB1  ALA  72           HB1      ALA  72  13.180   4.214  -6.728
  547    HB2  ALA  72           HB2      ALA  72  14.427   4.974  -5.733
  548    HB3  ALA  72           HB3      ALA  72  12.880   4.520  -5.016
  549    H    ARG  73           HN       ARG  73  13.114   1.830  -7.452
  550    HA   ARG  73           HA       ARG  73  10.794   0.757  -6.242
  551    HB2  ARG  73           HB2      ARG  73  10.508  -0.511  -8.373
  552    HB3  ARG  73           HB1      ARG  73  10.737   1.217  -8.597
  553    HG2  ARG  73           HG2      ARG  73  12.257   0.664 -10.119
  554    HG3  ARG  73           HG1      ARG  73  13.299   0.218  -8.768
  555    HD2  ARG  73           HD2      ARG  73  13.220  -1.587 -10.370
  556    HD3  ARG  73           HD1      ARG  73  12.408  -2.081  -8.884
  557    HE   ARG  73           HE       ARG  73  10.668  -0.989 -10.917
  558   HH11  ARG  73          HH11      ARG  73  12.198  -3.880  -9.598
  559   HH12  ARG  73          HH12      ARG  73  10.933  -4.979 -10.284
  560   HH21  ARG  73          HH21      ARG  73   9.069  -2.357 -11.806
  561   HH22  ARG  73          HH22      ARG  73   9.201  -4.135 -11.520
  562    H    GLU  74           HN       GLU  74  13.998  -0.533  -6.839
  563    HA   GLU  74           HA       GLU  74  13.344  -3.232  -6.201
  564    HB2  GLU  74           HB2      GLU  74  15.974  -1.748  -6.271
  565    HB3  GLU  74           HB1      GLU  74  15.849  -3.462  -5.912
  566    HG2  GLU  74           HG2      GLU  74  14.944  -2.148  -8.463
  567    HG3  GLU  74           HG1      GLU  74  16.456  -3.026  -8.242
  568    H    LEU  75           HN       LEU  75  14.274  -0.408  -4.381
  569    HA   LEU  75           HA       LEU  75  14.906  -1.743  -1.950
  570    HB2  LEU  75           HB2      LEU  75  15.698   0.521  -2.495
  571    HB3  LEU  75           HB1      LEU  75  14.048   1.110  -2.441
  572    HG   LEU  75           HG       LEU  75  13.982   0.414  -0.020
  573   HD11  LEU  75          HD11      LEU  75  16.129   0.112   1.113
  574   HD12  LEU  75          HD12      LEU  75  16.950   0.114  -0.447
  575   HD13  LEU  75          HD13      LEU  75  15.817  -1.177  -0.048
  576   HD21  LEU  75          HD21      LEU  75  15.216   2.374   0.751
  577   HD22  LEU  75          HD22      LEU  75  14.292   2.738  -0.706
  578   HD23  LEU  75          HD23      LEU  75  16.033   2.482  -0.808
  579    H    SER  76           HN       SER  76  11.984  -0.658  -3.451
  580    HA   SER  76           HA       SER  76  10.337  -0.624  -1.136
  581    HB2  SER  76           HB2      SER  76   9.429  -1.068  -3.984
  582    HB3  SER  76           HB1      SER  76   8.500  -0.383  -2.652
  583    HG   SER  76           HG       SER  76  10.892   0.867  -3.429
  584    H    LYS  77           HN       LYS  77  11.741  -3.117  -2.893
  585    HA   LYS  77           HA       LYS  77   9.769  -5.126  -2.778
  586    HB2  LYS  77           HB2      LYS  77  11.781  -5.199  -4.210
  587    HB3  LYS  77           HB1      LYS  77  12.774  -5.410  -2.779
  588    HG2  LYS  77           HG2      LYS  77  11.607  -7.532  -2.320
  589    HG3  LYS  77           HG1      LYS  77  10.701  -7.321  -3.821
  590    HD2  LYS  77           HD2      LYS  77  12.847  -7.249  -5.053
  591    HD3  LYS  77           HD1      LYS  77  13.693  -7.590  -3.542
  592    HE2  LYS  77           HE2      LYS  77  12.626  -9.725  -3.356
  593    HE3  LYS  77           HE1      LYS  77  11.570  -9.368  -4.723
  594    HZ1  LYS  77           HZ1      LYS  77  13.324 -10.767  -5.467
  595    HZ2  LYS  77           HZ2      LYS  77  14.507  -9.767  -4.797
  596    HZ3  LYS  77           HZ3      LYS  77  13.595  -9.230  -6.116
  597    H    THR  78           HN       THR  78  11.838  -3.803  -0.342
  598    HA   THR  78           HA       THR  78  11.556  -6.130   1.362
  599    HB   THR  78           HB       THR  78  13.576  -4.424   1.207
  600    HG1  THR  78           HG1      THR  78  14.271  -5.433   2.978
  601   HG21  THR  78          HG21      THR  78  12.275  -2.453   1.887
  602   HG22  THR  78          HG22      THR  78  13.566  -2.807   3.032
  603   HG23  THR  78          HG23      THR  78  11.902  -3.235   3.423
  604    H    PHE  79           HN       PHE  79   9.705  -3.424   0.612
  605    HA   PHE  79           HA       PHE  79   8.465  -3.279   3.251
  606    HB2  PHE  79           HB2      PHE  79   8.066  -1.598   0.776
  607    HB3  PHE  79           HB1      PHE  79   7.192  -1.365   2.285
  608    HD1  PHE  79           HD2      PHE  79   9.172  -1.578   4.339
  609    HD2  PHE  79           HD1      PHE  79   9.512   0.148   0.471
  610    HE1  PHE  79           HE2      PHE  79  10.973  -0.115   5.156
  611    HE2  PHE  79           HE1      PHE  79  11.315   1.613   1.275
  612    HZ   PHE  79           HZ       PHE  79  12.049   1.485   3.623
  613    H    ILE  80           HN       ILE  80   7.990  -4.881   0.293
  614    HA   ILE  80           HA       ILE  80   5.147  -4.864   0.262
  615    HB   ILE  80           HB       ILE  80   6.450  -5.403  -1.758
  616   HG12  ILE  80          HG12      ILE  80   4.589  -7.598  -0.830
  617   HG13  ILE  80          HG11      ILE  80   4.113  -6.093  -1.607
  618   HG21  ILE  80          HG21      ILE  80   8.224  -6.724  -0.712
  619   HG22  ILE  80          HG22      ILE  80   7.471  -7.586  -2.055
  620   HG23  ILE  80          HG23      ILE  80   7.067  -8.015  -0.392
  621   HD11  ILE  80          HD11      ILE  80   4.021  -7.884  -3.192
  622   HD12  ILE  80          HD12      ILE  80   5.688  -8.337  -2.842
  623   HD13  ILE  80          HD13      ILE  80   5.338  -6.797  -3.629
  624    H    ILE  81           HN       ILE  81   3.749  -5.940   1.460
  625    HA   ILE  81           HA       ILE  81   4.777  -8.103   3.166
  626    HB   ILE  81           HB       ILE  81   2.677  -7.722   4.517
  627   HG12  ILE  81          HG12      ILE  81   2.546  -5.113   2.997
  628   HG13  ILE  81          HG11      ILE  81   1.498  -6.485   2.656
  629   HG21  ILE  81          HG21      ILE  81   4.620  -5.429   4.295
  630   HG22  ILE  81          HG22      ILE  81   4.862  -6.908   5.221
  631   HG23  ILE  81          HG23      ILE  81   3.589  -5.779   5.682
  632   HD11  ILE  81          HD11      ILE  81   0.568  -6.365   4.886
  633   HD12  ILE  81          HD12      ILE  81   0.413  -4.809   4.066
  634   HD13  ILE  81          HD13      ILE  81   1.662  -5.041   5.291
  635    H    GLY  82           HN       GLY  82   2.629  -7.391   0.581
  636    HA2  GLY  82           HA2      GLY  82   2.170 -10.008  -0.133
  637    HA3  GLY  82           HA1      GLY  82   0.856  -9.591   0.955
  638    H    GLU  83           HN       GLU  83  -0.386 -10.109  -1.007
  639    HA   GLU  83           HA       GLU  83  -0.780  -7.690  -2.615
  640    HB2  GLU  83           HB2      GLU  83  -0.696 -10.511  -3.701
  641    HB3  GLU  83           HB1      GLU  83  -1.155  -9.084  -4.617
  642    HG2  GLU  83           HG2      GLU  83   1.077  -8.176  -4.368
  643    HG3  GLU  83           HG1      GLU  83   1.546  -9.563  -3.386
  644    H    LEU  84           HN       LEU  84  -2.888  -8.150  -4.006
  645    HA   LEU  84           HA       LEU  84  -4.952  -8.887  -2.075
  646    HB2  LEU  84           HB2      LEU  84  -5.031  -7.399  -4.700
  647    HB3  LEU  84           HB1      LEU  84  -6.484  -7.893  -3.860
  648    HG   LEU  84           HG       LEU  84  -6.234  -5.657  -3.268
  649   HD11  LEU  84          HD11      LEU  84  -5.767  -5.609  -0.921
  650   HD12  LEU  84          HD12      LEU  84  -4.812  -7.087  -1.034
  651   HD13  LEU  84          HD13      LEU  84  -6.554  -7.139  -1.310
  652   HD21  LEU  84          HD21      LEU  84  -4.034  -5.272  -4.189
  653   HD22  LEU  84          HD22      LEU  84  -3.291  -6.180  -2.871
  654   HD23  LEU  84          HD23      LEU  84  -4.105  -4.649  -2.540
  655    H    HIS  85           HN       HIS  85  -6.945  -9.963  -3.159
  656    HA   HIS  85           HA       HIS  85  -6.032 -12.461  -4.251
  657    HB2  HIS  85           HB2      HIS  85  -8.903 -11.532  -4.062
  658    HB3  HIS  85           HB1      HIS  85  -8.311 -13.187  -4.113
  659    HD1  HIS  85           HD1      HIS  85  -9.302 -10.536  -1.849
  660    HD2  HIS  85           HD2      HIS  85  -6.922 -13.947  -1.649
  661    HE1  HIS  85           HE1      HIS  85  -9.020 -11.037   0.608
  662    HE2  HIS  85           HE2      HIS  85  -7.648 -13.148   0.701
  663    HA   PRO  86           HA       PRO  86  -6.440 -11.688  -8.589
  664    HB2  PRO  86           HB2      PRO  86  -7.866 -13.912  -9.412
  665    HB3  PRO  86           HB1      PRO  86  -6.116 -13.880  -9.158
  666    HG2  PRO  86           HG2      PRO  86  -8.258 -14.879  -7.345
  667    HG3  PRO  86           HG1      PRO  86  -6.641 -15.542  -7.653
  668    HD2  PRO  86           HD2      PRO  86  -7.169 -14.155  -5.425
  669    HD3  PRO  86           HD1      PRO  86  -5.601 -14.030  -6.248
  670    H    ASP  87           HN       ASP  87  -9.256 -12.540  -6.712
  671    HA   ASP  87           HA       ASP  87 -11.241 -11.763  -8.582
  672    HB2  ASP  87           HB2      ASP  87 -11.541 -11.699  -5.578
  673    HB3  ASP  87           HB1      ASP  87 -12.798 -11.949  -6.782
  674    H    ASP  88           HN       ASP  88  -9.501 -10.099  -6.032
  675    HA   ASP  88           HA       ASP  88 -11.020  -7.655  -6.341
  676    HB2  ASP  88           HB2      ASP  88  -8.516  -8.153  -4.719
  677    HB3  ASP  88           HB1      ASP  88  -9.590  -6.768  -4.580
  678    H    ARG  89           HN       ARG  89  -8.838  -8.987  -8.297
  679    HA   ARG  89           HA       ARG  89  -7.675  -6.375  -8.966
  680    HB2  ARG  89           HB2      ARG  89  -6.246  -9.030  -8.914
  681    HB3  ARG  89           HB1      ARG  89  -5.596  -7.594  -9.690
  682    HG2  ARG  89           HG2      ARG  89  -5.879  -6.449  -7.425
  683    HG3  ARG  89           HG1      ARG  89  -6.104  -8.073  -6.774
  684    HD2  ARG  89           HD2      ARG  89  -3.730  -7.399  -8.474
  685    HD3  ARG  89           HD1      ARG  89  -3.741  -7.040  -6.748
  686    HE   ARG  89           HE       ARG  89  -4.481  -9.734  -7.207
  687   HH11  ARG  89          HH11      ARG  89  -1.727  -7.553  -7.158
  688   HH12  ARG  89          HH12      ARG  89  -0.532  -8.876  -6.842
  689   HH21  ARG  89          HH21      ARG  89  -2.985 -11.448  -6.794
  690   HH22  ARG  89          HH22      ARG  89  -1.238 -11.029  -6.634
  691    H    SER  90           HN       SER  90  -8.433  -9.606 -10.260
  692    HA   SER  90           HA       SER  90  -8.554  -8.374 -12.930
  693    HB2  SER  90           HB2      SER  90  -8.311 -11.330 -12.441
  694    HB3  SER  90           HB1      SER  90  -7.856 -10.404 -13.870
  695    HG   SER  90           HG       SER  90  -6.205  -9.423 -12.563
  696    H    LYS  91           HN       LYS  91 -10.683  -9.018 -10.614
  697    HA   LYS  91           HA       LYS  91 -12.687 -10.000 -12.538
  698    HB2  LYS  91           HB2      LYS  91 -12.498 -10.614  -9.593
  699    HB3  LYS  91           HB1      LYS  91 -13.931 -10.933 -10.556
  700    HG2  LYS  91           HG2      LYS  91 -12.471 -12.347 -12.046
  701    HG3  LYS  91           HG1      LYS  91 -11.214 -12.185 -10.819
  702    HD2  LYS  91           HD2      LYS  91 -12.858 -13.093  -9.151
  703    HD3  LYS  91           HD1      LYS  91 -13.939 -13.435 -10.503
  704    HE2  LYS  91           HE2      LYS  91 -11.132 -14.504 -10.247
  705    HE3  LYS  91           HE1      LYS  91 -12.581 -15.387  -9.772
  706    HZ1  LYS  91           HZ1      LYS  91 -11.779 -15.979 -11.998
  707    HZ2  LYS  91           HZ2      LYS  91 -12.040 -14.390 -12.515
  708    HZ3  LYS  91           HZ3      LYS  91 -13.346 -15.347 -12.032
  709    H    LEU  92           HN       LEU  92 -12.565  -8.408  -9.348
  710    HA   LEU  92           HA       LEU  92 -13.614  -6.583  -8.506
  711    HB2  LEU  92           HB2      LEU  92 -13.410  -5.913 -11.395
  712    HB3  LEU  92           HB1      LEU  92 -14.486  -4.933 -10.418
  713    HG   LEU  92           HG       LEU  92 -12.329  -3.860 -10.593
  714   HD11  LEU  92          HD11      LEU  92 -11.861  -3.472  -8.284
  715   HD12  LEU  92          HD12      LEU  92 -12.590  -5.009  -7.826
  716   HD13  LEU  92          HD13      LEU  92 -13.598  -3.711  -8.461
  717   HD21  LEU  92          HD21      LEU  92 -11.183  -6.365  -9.374
  718   HD22  LEU  92          HD22      LEU  92 -10.297  -4.879  -9.713
  719   HD23  LEU  92          HD23      LEU  92 -10.965  -5.829 -11.041
  720    H    SER  93           HN       SER  93 -15.130  -9.014  -9.351
  721    HA   SER  93           HA       SER  93 -17.787  -7.925  -9.877
  722    HB2  SER  93           HB2      SER  93 -17.180 -10.840  -9.477
  723    HB3  SER  93           HB1      SER  93 -18.444 -10.095 -10.453
  724    HG   SER  93           HG       SER  93 -16.382  -9.183 -11.578
  725    H    LYS  94           HN       LYS  94 -17.382  -6.890  -7.628
  726    HA   LYS  94           HA       LYS  94 -18.781  -8.554  -5.671
  727    HB2  LYS  94           HB2      LYS  94 -16.187  -7.085  -5.163
  728    HB3  LYS  94           HB1      LYS  94 -17.241  -7.658  -3.877
  729    HG2  LYS  94           HG2      LYS  94 -16.834  -9.909  -4.392
  730    HG3  LYS  94           HG1      LYS  94 -16.155  -9.517  -5.970
  731    HD2  LYS  94           HD2      LYS  94 -14.349 -10.110  -4.531
  732    HD3  LYS  94           HD1      LYS  94 -14.281  -8.362  -4.771
  733    HE2  LYS  94           HE2      LYS  94 -15.277  -7.979  -2.617
  734    HE3  LYS  94           HE1      LYS  94 -15.564  -9.702  -2.397
  735    HZ1  LYS  94           HZ1      LYS  94 -13.336 -10.116  -2.063
  736    HZ2  LYS  94           HZ2      LYS  94 -13.540  -8.631  -1.281
  737    HZ3  LYS  94           HZ3      LYS  94 -12.828  -8.685  -2.818
  738    HA   PRO  95           HA       PRO  95 -21.056  -4.760  -5.233
  739    HB2  PRO  95           HB2      PRO  95 -22.398  -5.350  -2.947
  740    HB3  PRO  95           HB1      PRO  95 -22.818  -6.056  -4.515
  741    HG2  PRO  95           HG2      PRO  95 -21.254  -7.254  -2.277
  742    HG3  PRO  95           HG1      PRO  95 -22.470  -8.001  -3.333
  743    HD2  PRO  95           HD2      PRO  95 -19.799  -8.341  -3.686
  744    HD3  PRO  95           HD1      PRO  95 -20.967  -8.379  -5.019
  745    H    MET  96           HN       MET  96 -20.996  -2.842  -4.029
  746    HA   MET  96           HA       MET  96 -18.971  -2.818  -1.887
  747    HB2  MET  96           HB2      MET  96 -18.271  -1.617  -3.906
  748    HB3  MET  96           HB1      MET  96 -19.707  -0.604  -3.811
  749    HG2  MET  96           HG2      MET  96 -18.942   0.367  -1.748
  750    HG3  MET  96           HG1      MET  96 -17.568  -0.733  -1.699
  751    HE1  MET  96           HE1      MET  96 -19.068   1.214  -4.798
  752    HE2  MET  96           HE2      MET  96 -18.091   2.683  -4.756
  753    HE3  MET  96           HE3      MET  96 -19.218   2.333  -3.443
  754    H    GLU  97           HN       GLU  97 -21.663  -0.766  -2.989
  755    HA   GLU  97           HA       GLU  97 -23.400   0.220  -1.928
  756    HB2  GLU  97           HB2      GLU  97 -23.552  -2.163  -0.889
  757    HB3  GLU  97           HB1      GLU  97 -22.904  -1.393   0.551
  758    HG2  GLU  97           HG2      GLU  97 -24.986  -0.894   1.095
  759    HG3  GLU  97           HG1      GLU  97 -24.973   0.268  -0.233
  760    H    THR  98           HN       THR  98 -22.840   2.275  -1.606
  761    HA   THR  98           HA       THR  98 -21.690   2.988   0.976
  762    HB   THR  98           HB       THR  98 -19.810   2.796  -0.704
  763    HG1  THR  98           HG1      THR  98 -19.278   4.073   0.966
  764   HG21  THR  98          HG21      THR  98 -21.058   5.279  -1.873
  765   HG22  THR  98          HG22      THR  98 -21.076   3.690  -2.634
  766   HG23  THR  98          HG23      THR  98 -19.546   4.522  -2.368
  767    H    LEU  99           HN       LEU  99 -21.728   5.408   1.276
  768    HA   LEU  99           HA       LEU  99 -22.942   7.291   1.553
  769    HB2  LEU  99           HB2      LEU  99 -23.366   6.829  -1.395
  770    HB3  LEU  99           HB1      LEU  99 -23.918   8.272  -0.568
  771    HG   LEU  99           HG       LEU  99 -21.041   7.376  -0.776
  772   HD11  LEU  99          HD11      LEU  99 -21.897   8.117  -2.914
  773   HD12  LEU  99          HD12      LEU  99 -20.782   9.311  -2.252
  774   HD13  LEU  99          HD13      LEU  99 -22.521   9.594  -2.175
  775   HD21  LEU  99          HD21      LEU  99 -21.344   8.581   1.264
  776   HD22  LEU  99          HD22      LEU  99 -22.310   9.814   0.452
  777   HD23  LEU  99          HD23      LEU  99 -20.588   9.669   0.099
  778    H    ILE 100           HN       ILE 100 -24.271   5.220   2.551
  779    HA   ILE 100           HA       ILE 100 -27.044   5.505   1.605
  780    HB   ILE 100           HB       ILE 100 -27.442   3.474   3.109
  781   HG12  ILE 100          HG12      ILE 100 -24.450   3.167   2.785
  782   HG13  ILE 100          HG11      ILE 100 -25.215   3.697   4.277
  783   HG21  ILE 100          HG21      ILE 100 -25.752   3.254   0.627
  784   HG22  ILE 100          HG22      ILE 100 -27.511   3.320   0.713
  785   HG23  ILE 100          HG23      ILE 100 -26.649   1.921   1.351
  786   HD11  ILE 100          HD11      ILE 100 -24.621   1.316   4.292
  787   HD12  ILE 100          HD12      ILE 100 -25.711   1.052   2.932
  788   HD13  ILE 100          HD13      ILE 100 -26.353   1.581   4.487
  789    H    THR 101           HN       THR 101 -25.434   7.301   3.442
  790    HA   THR 101           HA       THR 101 -27.547   7.699   5.382
  791    HB   THR 101           HB       THR 101 -24.717   7.376   6.401
  792    HG1  THR 101           HG1      THR 101 -26.694   5.489   5.927
  793   HG21  THR 101          HG21      THR 101 -25.790   7.356   8.605
  794   HG22  THR 101          HG22      THR 101 -27.369   7.553   7.844
  795   HG23  THR 101          HG23      THR 101 -26.171   8.840   7.732
  796    H    THR 102           HN       THR 102 -27.838   9.844   5.725
  797    HA   THR 102           HA       THR 102 -26.172  11.705   4.324
  798    HB   THR 102           HB       THR 102 -27.936  13.048   6.132
  799    HG1  THR 102           HG1      THR 102 -29.883  12.049   5.625
  800   HG21  THR 102          HG21      THR 102 -27.225  13.854   3.929
  801   HG22  THR 102          HG22      THR 102 -28.984  13.800   4.057
  802   HG23  THR 102          HG23      THR 102 -28.124  12.546   3.161
  803    H    VAL 103           HN       VAL 103 -24.222  12.152   5.134
  804    HA   VAL 103           HA       VAL 103 -23.989  12.641   8.033
  805    HB   VAL 103           HB       VAL 103 -21.547  12.218   7.726
  806   HG11  VAL 103          HG11      VAL 103 -23.357   9.953   6.897
  807   HG12  VAL 103          HG12      VAL 103 -23.061  10.482   8.551
  808   HG13  VAL 103          HG13      VAL 103 -21.748   9.793   7.599
  809   HG21  VAL 103          HG21      VAL 103 -20.787  11.080   5.701
  810   HG22  VAL 103          HG22      VAL 103 -21.388  12.700   5.342
  811   HG23  VAL 103          HG23      VAL 103 -22.384  11.289   4.981
  812    H    ASP 104           HN       ASP 104 -24.705  14.439   5.670
  813    HA   ASP 104           HA       ASP 104 -22.735  16.541   6.259
  814    HB2  ASP 104           HB2      ASP 104 -22.730  17.284   4.031
  815    HB3  ASP 104           HB1      ASP 104 -22.675  15.532   3.881
  816    HHB  HEM 400           HB       HEM 400  11.321   4.839  -1.749
  817    HHC  HEM 400           HC       HEM 400   5.055   5.377  -2.403
  818    HHD  HEM 400           HD       HEM 400   5.778  11.288  -4.558
  819    HMA  HEM 400          HMA1      HEM 400  13.616   5.133  -2.769
  820   HMAA  HEM 400          HMA2      HEM 400  13.616   5.864  -1.166
  821   HMAB  HEM 400          HMA3      HEM 400  14.678   6.504  -2.417
  822    HAA  HEM 400          HAA1      HEM 400  14.864   8.515  -2.850
  823   HAAA  HEM 400          HAA2      HEM 400  13.997   9.962  -3.342
  824    HBA  HEM 400          HBA1      HEM 400  14.679   9.620  -5.449
  825   HBAA  HEM 400          HBA2      HEM 400  13.783   8.102  -5.481
  826    HMB  HEM 400          HMB1      HEM 400   9.749   2.296  -1.835
  827   HMBA  HEM 400          HMB2      HEM 400   8.845   2.439  -0.323
  828   HMBB  HEM 400          HMB3      HEM 400  10.372   3.301  -0.538
  829    HAB  HEM 400           HAB      HEM 400   6.567   2.241  -1.529
  830    HBB  HEM 400          HBB1      HEM 400   4.884   4.667  -0.510
  831   HBBA  HEM 400          HBB2      HEM 400   4.424   2.802  -0.520
  832    HMC  HEM 400          HMC1      HEM 400   2.424   7.508  -2.459
  833   HMCA  HEM 400          HMC2      HEM 400   3.238   6.007  -2.906
  834   HMCB  HEM 400          HMC3      HEM 400   2.494   7.024  -4.143
  835    HAC  HEM 400           HAC      HEM 400   3.506  10.525  -5.063
  836    HBC  HEM 400          HBC1      HEM 400   2.034   9.522  -2.491
  837   HBCA  HEM 400          HBC2      HEM 400   1.438  10.792  -3.800
  838    HMD  HEM 400          HMD1      HEM 400   6.645  12.923  -5.549
  839   HMDA  HEM 400          HMD2      HEM 400   8.170  13.684  -6.012
  840   HMDB  HEM 400          HMD3      HEM 400   7.525  13.892  -4.382
  841    HAD  HEM 400          HAD1      HEM 400  10.505  13.809  -4.535
  842   HADA  HEM 400          HAD2      HEM 400  11.712  12.545  -4.708
  843    HBD  HEM 400          HBD1      HEM 400  10.897  14.212  -6.723
  844   HBDA  HEM 400          HBD2      HEM 400   9.920  12.777  -7.021
  845    HHA  HEM 400           HA       HEM 400  12.072  10.628  -4.201
  Start of MODEL    9
    1    H1   MET   1           HT1      MET   1  22.029 -13.543  16.623
    2    H2   MET   1           HT2      MET   1  22.960 -12.962  17.908
    3    H3   MET   1           HT3      MET   1  22.283 -11.883  16.797
    4    HA   MET   1           HA       MET   1  20.771 -13.626  18.647
    5    HB2  MET   1           HB2      MET   1  21.640 -10.770  18.785
    6    HB3  MET   1           HB1      MET   1  20.078 -11.207  19.461
    7    HG2  MET   1           HG2      MET   1  21.792 -11.207  21.168
    8    HG3  MET   1           HG1      MET   1  21.153 -12.831  20.923
    9    HE1  MET   1           HE1      MET   1  23.871 -12.042  22.453
   10    HE2  MET   1           HE2      MET   1  24.962 -13.308  21.884
   11    HE3  MET   1           HE3      MET   1  23.303 -13.707  22.331
   12    H    ALA   2           HN       ALA   2  20.267 -10.506  17.002
   13    HA   ALA   2           HA       ALA   2  17.667 -11.521  16.086
   14    HB1  ALA   2           HB1      ALA   2  17.591  -9.520  17.495
   15    HB2  ALA   2           HB2      ALA   2  16.996  -9.193  15.869
   16    HB3  ALA   2           HB3      ALA   2  18.611  -8.668  16.336
   17    H    ALA   3           HN       ALA   3  18.017 -12.468  14.162
   18    HA   ALA   3           HA       ALA   3  18.709 -10.763  11.933
   19    HB1  ALA   3           HB1      ALA   3  20.912 -11.589  12.603
   20    HB2  ALA   3           HB2      ALA   3  20.435 -12.229  11.030
   21    HB3  ALA   3           HB3      ALA   3  20.332 -13.249  12.465
   22    H    GLN   4           HN       GLN   4  16.844 -11.063  10.907
   23    HA   GLN   4           HA       GLN   4  16.247 -13.759   9.960
   24    HB2  GLN   4           HB2      GLN   4  13.820 -13.419  10.443
   25    HB3  GLN   4           HB1      GLN   4  14.814 -13.572  11.886
   26    HG2  GLN   4           HG2      GLN   4  14.828 -10.902  11.596
   27    HG3  GLN   4           HG1      GLN   4  13.259 -11.279  10.886
   28   HE21  GLN   4          HE21      GLN   4  12.145 -10.298  12.547
   29   HE22  GLN   4          HE22      GLN   4  12.038 -10.989  14.127
   30    H    SER   5           HN       SER   5  15.447 -13.818   7.912
   31    HA   SER   5           HA       SER   5  14.451 -11.385   6.675
   32    HB2  SER   5           HB2      SER   5  16.793 -12.856   5.450
   33    HB3  SER   5           HB1      SER   5  16.048 -11.365   4.873
   34    HG   SER   5           HG       SER   5  16.682 -10.787   7.286
   35    H    ASP   6           HN       ASP   6  12.495 -12.363   6.337
   36    HA   ASP   6           HA       ASP   6  12.417 -14.336   4.198
   37    HB2  ASP   6           HB2      ASP   6  12.421 -15.706   6.236
   38    HB3  ASP   6           HB1      ASP   6  11.056 -14.790   6.863
   39    H    LYS   7           HN       LYS   7  10.741 -13.999   2.843
   40    HA   LYS   7           HA       LYS   7   8.651 -12.129   3.738
   41    HB2  LYS   7           HB2      LYS   7   9.962 -12.217   1.014
   42    HB3  LYS   7           HB1      LYS   7   8.624 -11.171   1.466
   43    HG2  LYS   7           HG2      LYS   7  11.363 -11.109   2.718
   44    HG3  LYS   7           HG1      LYS   7  10.797 -10.016   1.455
   45    HD2  LYS   7           HD2      LYS   7   9.124  -9.106   2.902
   46    HD3  LYS   7           HD1      LYS   7   9.451 -10.329   4.129
   47    HE2  LYS   7           HE2      LYS   7  11.813  -9.389   4.218
   48    HE3  LYS   7           HE1      LYS   7  11.197  -8.028   3.283
   49    HZ1  LYS   7           HZ1      LYS   7  10.102  -8.904   5.897
   50    HZ2  LYS   7           HZ2      LYS   7   9.655  -7.520   5.034
   51    HZ3  LYS   7           HZ3      LYS   7  11.202  -7.642   5.699
   52    H    ASP   8           HN       ASP   8   6.810 -13.191   3.839
   53    HA   ASP   8           HA       ASP   8   6.197 -15.187   1.764
   54    HB2  ASP   8           HB2      ASP   8   6.258 -16.123   4.041
   55    HB3  ASP   8           HB1      ASP   8   5.070 -14.936   4.563
   56    H    VAL   9           HN       VAL   9   4.543 -14.766   0.432
   57    HA   VAL   9           HA       VAL   9   3.323 -12.197   0.519
   58    HB   VAL   9           HB       VAL   9   3.875 -13.195  -1.621
   59   HG11  VAL   9          HG11      VAL   9   1.915 -15.336  -0.836
   60   HG12  VAL   9          HG12      VAL   9   3.609 -15.517  -1.293
   61   HG13  VAL   9          HG13      VAL   9   2.415 -15.056  -2.504
   62   HG21  VAL   9          HG21      VAL   9   2.105 -11.583  -1.647
   63   HG22  VAL   9          HG22      VAL   9   0.918 -12.811  -1.204
   64   HG23  VAL   9          HG23      VAL   9   1.704 -12.873  -2.781
   65    H    LYS  10           HN       LYS  10   1.666 -11.626   1.693
   66    HA   LYS  10           HA       LYS  10  -0.333 -13.656   2.431
   67    HB2  LYS  10           HB2      LYS  10   0.930 -11.434   3.861
   68    HB3  LYS  10           HB1      LYS  10  -0.823 -11.460   4.018
   69    HG2  LYS  10           HG2      LYS  10   0.650 -14.004   4.447
   70    HG3  LYS  10           HG1      LYS  10   0.755 -12.758   5.690
   71    HD2  LYS  10           HD2      LYS  10  -1.622 -12.717   5.953
   72    HD3  LYS  10           HD1      LYS  10  -1.844 -13.771   4.557
   73    HE2  LYS  10           HE2      LYS  10  -0.256 -14.656   6.941
   74    HE3  LYS  10           HE1      LYS  10  -2.013 -14.791   6.913
   75    HZ1  LYS  10           HZ1      LYS  10  -1.816 -16.121   4.883
   76    HZ2  LYS  10           HZ2      LYS  10  -1.009 -16.835   6.184
   77    HZ3  LYS  10           HZ3      LYS  10  -0.128 -16.032   4.986
   78    H    TYR  11           HN       TYR  11  -2.158 -13.557   1.319
   79    HA   TYR  11           HA       TYR  11  -2.844 -11.171  -0.172
   80    HB2  TYR  11           HB2      TYR  11  -3.973 -13.960  -0.067
   81    HB3  TYR  11           HB1      TYR  11  -4.815 -12.663  -0.906
   82    HD1  TYR  11           HD2      TYR  11  -1.635 -14.577  -0.822
   83    HD2  TYR  11           HD1      TYR  11  -4.164 -12.005  -3.079
   84    HE1  TYR  11           HE2      TYR  11  -0.261 -14.989  -2.820
   85    HE2  TYR  11           HE1      TYR  11  -2.798 -12.409  -5.083
   86    HH   TYR  11           HH       TYR  11  -0.365 -13.090  -5.544
   87    H    TYR  12           HN       TYR  12  -3.385  -9.705   1.454
   88    HA   TYR  12           HA       TYR  12  -5.435 -10.294   3.374
   89    HB2  TYR  12           HB2      TYR  12  -4.204  -7.647   2.574
   90    HB3  TYR  12           HB1      TYR  12  -5.251  -7.903   3.964
   91    HD1  TYR  12           HD2      TYR  12  -4.426  -9.610   5.738
   92    HD2  TYR  12           HD1      TYR  12  -1.901  -7.842   2.802
   93    HE1  TYR  12           HE2      TYR  12  -2.461 -10.132   7.122
   94    HE2  TYR  12           HE1      TYR  12   0.069  -8.358   4.179
   95    HH   TYR  12           HH       TYR  12  -0.031 -10.476   6.810
   96    H    THR  13           HN       THR  13  -7.485  -9.070   3.502
   97    HA   THR  13           HA       THR  13  -8.720  -8.967   0.878
   98    HB   THR  13           HB       THR  13 -10.712  -8.232   2.579
   99    HG1  THR  13           HG1      THR  13 -10.119  -8.645   4.561
  100   HG21  THR  13          HG21      THR  13 -11.384 -10.590   2.546
  101   HG22  THR  13          HG22      THR  13  -9.760 -11.050   2.038
  102   HG23  THR  13          HG23      THR  13 -10.776 -10.080   0.973
  103    H    LEU  14           HN       LEU  14 -10.138  -7.146   0.274
  104    HA   LEU  14           HA       LEU  14  -8.743  -4.712   0.235
  105    HB2  LEU  14           HB2      LEU  14 -11.486  -5.573  -0.555
  106    HB3  LEU  14           HB1      LEU  14 -11.140  -3.856  -0.479
  107    HG   LEU  14           HG       LEU  14  -9.205  -4.283  -2.045
  108   HD11  LEU  14          HD11      LEU  14  -9.313  -6.333  -3.388
  109   HD12  LEU  14          HD12      LEU  14 -10.575  -6.951  -2.319
  110   HD13  LEU  14          HD13      LEU  14  -8.950  -6.662  -1.691
  111   HD21  LEU  14          HD21      LEU  14 -10.598  -4.306  -4.012
  112   HD22  LEU  14          HD22      LEU  14 -11.366  -3.336  -2.756
  113   HD23  LEU  14          HD23      LEU  14 -11.947  -4.968  -3.089
  114    H    GLU  15           HN       GLU  15 -11.606  -5.699   2.071
  115    HA   GLU  15           HA       GLU  15 -11.916  -3.207   3.420
  116    HB2  GLU  15           HB2      GLU  15 -13.437  -4.537   4.925
  117    HB3  GLU  15           HB1      GLU  15 -13.838  -4.591   3.215
  118    HG2  GLU  15           HG2      GLU  15 -12.111  -6.743   4.317
  119    HG3  GLU  15           HG1      GLU  15 -13.827  -6.758   4.720
  120    H    GLU  16           HN       GLU  16  -9.610  -5.558   3.723
  121    HA   GLU  16           HA       GLU  16  -9.217  -5.206   6.592
  122    HB2  GLU  16           HB2      GLU  16  -9.086  -7.467   5.752
  123    HB3  GLU  16           HB1      GLU  16  -7.897  -6.994   4.550
  124    HG2  GLU  16           HG2      GLU  16  -6.253  -6.601   6.249
  125    HG3  GLU  16           HG1      GLU  16  -7.445  -6.866   7.520
  126    H    ILE  17           HN       ILE  17  -7.576  -4.663   3.502
  127    HA   ILE  17           HA       ILE  17  -5.289  -3.463   4.734
  128    HB   ILE  17           HB       ILE  17  -4.672  -2.785   2.406
  129   HG12  ILE  17          HG12      ILE  17  -7.129  -4.387   1.659
  130   HG13  ILE  17          HG11      ILE  17  -6.989  -2.637   1.516
  131   HG21  ILE  17          HG21      ILE  17  -4.271  -5.114   1.640
  132   HG22  ILE  17          HG22      ILE  17  -5.318  -5.677   2.941
  133   HG23  ILE  17          HG23      ILE  17  -3.818  -4.831   3.320
  134   HD11  ILE  17          HD11      ILE  17  -6.661  -3.713  -0.627
  135   HD12  ILE  17          HD12      ILE  17  -5.346  -4.681   0.040
  136   HD13  ILE  17          HD13      ILE  17  -5.172  -2.932  -0.096
  137    H    LYS  18           HN       LYS  18  -8.187  -2.188   3.096
  138    HA   LYS  18           HA       LYS  18  -7.255   0.518   3.231
  139    HB2  LYS  18           HB2      LYS  18  -9.324   1.163   2.291
  140    HB3  LYS  18           HB1      LYS  18  -8.902  -0.369   1.540
  141    HG2  LYS  18           HG2      LYS  18 -10.612  -1.498   2.557
  142    HG3  LYS  18           HG1      LYS  18 -10.659  -0.401   3.940
  143    HD2  LYS  18           HD2      LYS  18 -12.624  -0.227   2.391
  144    HD3  LYS  18           HD1      LYS  18 -11.758   1.286   2.660
  145    HE2  LYS  18           HE2      LYS  18 -10.495   0.821   0.539
  146    HE3  LYS  18           HE1      LYS  18 -11.607  -0.518   0.255
  147    HZ1  LYS  18           HZ1      LYS  18 -12.569   2.238   0.708
  148    HZ2  LYS  18           HZ2      LYS  18 -13.397   0.937   0.014
  149    HZ3  LYS  18           HZ3      LYS  18 -12.142   1.688  -0.833
  150    H    LYS  19           HN       LYS  19  -8.327  -1.513   5.594
  151    HA   LYS  19           HA       LYS  19  -9.394   0.717   7.190
  152    HB2  LYS  19           HB2      LYS  19 -10.861  -1.329   6.824
  153    HB3  LYS  19           HB1      LYS  19  -9.705  -2.223   7.800
  154    HG2  LYS  19           HG2      LYS  19 -11.544  -1.592   9.184
  155    HG3  LYS  19           HG1      LYS  19 -10.131  -0.652   9.666
  156    HD2  LYS  19           HD2      LYS  19 -11.921   0.876   9.646
  157    HD3  LYS  19           HD1      LYS  19 -11.035   1.190   8.155
  158    HE2  LYS  19           HE2      LYS  19 -13.390   1.191   7.675
  159    HE3  LYS  19           HE1      LYS  19 -12.668  -0.244   6.950
  160    HZ1  LYS  19           HZ1      LYS  19 -14.772  -0.709   8.079
  161    HZ2  LYS  19           HZ2      LYS  19 -14.104  -0.199   9.546
  162    HZ3  LYS  19           HZ3      LYS  19 -13.486  -1.564   8.766
  163    H    HIS  20           HN       HIS  20  -6.635  -0.783   6.558
  164    HA   HIS  20           HA       HIS  20  -5.715  -1.070   9.312
  165    HB2  HIS  20           HB2      HIS  20  -4.963  -2.225   6.773
  166    HB3  HIS  20           HB1      HIS  20  -3.561  -1.520   7.567
  167    HD1  HIS  20           HD1      HIS  20  -6.106  -4.245   7.940
  168    HD2  HIS  20           HD2      HIS  20  -2.707  -2.837   9.884
  169    HE1  HIS  20           HE1      HIS  20  -5.472  -6.040   9.584
  170    HE2  HIS  20           HE2      HIS  20  -3.388  -5.193  10.716
  171    H    ASN  21           HN       ASN  21  -5.847   1.266   6.910
  172    HA   ASN  21           HA       ASN  21  -3.391   2.553   7.060
  173    HB2  ASN  21           HB2      ASN  21  -4.786   4.670   6.525
  174    HB3  ASN  21           HB1      ASN  21  -4.734   3.360   5.355
  175   HD21  ASN  21          HD21      ASN  21  -6.636   4.167   4.447
  176   HD22  ASN  21          HD22      ASN  21  -8.177   3.891   5.189
  177    H    HIS  22           HN       HIS  22  -2.436   2.912   8.898
  178    HA   HIS  22           HA       HIS  22  -3.604   4.848  10.731
  179    HB2  HIS  22           HB2      HIS  22  -2.719   2.066  11.493
  180    HB3  HIS  22           HB1      HIS  22  -2.689   3.383  12.658
  181    HD1  HIS  22           HD1      HIS  22  -4.816   0.776  11.426
  182    HD2  HIS  22           HD2      HIS  22  -5.420   4.600  12.934
  183    HE1  HIS  22           HE1      HIS  22  -7.241   0.863  12.088
  184    HE2  HIS  22           HE2      HIS  22  -7.563   3.157  13.082
  185    H    SER  23           HN       SER  23  -1.847   5.531  12.368
  186    HA   SER  23           HA       SER  23   0.421   6.388  10.924
  187    HB2  SER  23           HB2      SER  23   1.064   6.679  13.610
  188    HB3  SER  23           HB1      SER  23   0.223   7.865  12.611
  189    HG   SER  23           HG       SER  23  -0.833   7.167  14.645
  190    H    LYS  24           HN       LYS  24  -0.240   3.544  12.722
  191    HA   LYS  24           HA       LYS  24   2.603   2.784  12.669
  192    HB2  LYS  24           HB2      LYS  24   1.905   1.049  14.377
  193    HB3  LYS  24           HB1      LYS  24   1.836   2.721  14.914
  194    HG2  LYS  24           HG2      LYS  24  -0.673   2.497  14.102
  195    HG3  LYS  24           HG1      LYS  24  -0.361   0.791  14.426
  196    HD2  LYS  24           HD2      LYS  24   0.325   1.333  16.696
  197    HD3  LYS  24           HD1      LYS  24   0.080   3.049  16.378
  198    HE2  LYS  24           HE2      LYS  24  -2.326   2.499  15.867
  199    HE3  LYS  24           HE1      LYS  24  -2.004   0.876  16.476
  200    HZ1  LYS  24           HZ1      LYS  24  -1.341   1.887  18.599
  201    HZ2  LYS  24           HZ2      LYS  24  -2.948   2.217  18.207
  202    HZ3  LYS  24           HZ3      LYS  24  -1.772   3.410  18.004
  203    H    SER  25           HN       SER  25   0.267   2.596  10.648
  204    HA   SER  25           HA       SER  25   1.046   0.042   9.574
  205    HB2  SER  25           HB2      SER  25  -1.882   0.463  10.227
  206    HB3  SER  25           HB1      SER  25  -1.162  -0.955   9.468
  207    HG   SER  25           HG       SER  25   0.160  -0.671  11.677
  208    H    THR  26           HN       THR  26   1.632   2.322   8.412
  209    HA   THR  26           HA       THR  26  -0.459   3.237   6.639
  210    HB   THR  26           HB       THR  26   2.483   3.884   6.441
  211    HG1  THR  26           HG1      THR  26   0.898   4.370   8.488
  212   HG21  THR  26          HG21      THR  26   1.651   5.976   5.439
  213   HG22  THR  26          HG22      THR  26  -0.004   5.383   5.589
  214   HG23  THR  26          HG23      THR  26   1.135   4.562   4.520
  215    H    TRP  27           HN       TRP  27  -1.059   1.512   5.382
  216    HA   TRP  27           HA       TRP  27   0.977   0.227   3.717
  217    HB2  TRP  27           HB2      TRP  27  -1.913  -0.467   4.276
  218    HB3  TRP  27           HB1      TRP  27  -0.929  -1.311   3.087
  219    HD1  TRP  27           HD1      TRP  27   1.420  -0.693   5.714
  220    HE1  TRP  27           HE1      TRP  27   1.619  -2.676   7.339
  221    HE3  TRP  27           HE3      TRP  27  -2.838  -3.203   4.418
  222    HZ2  TRP  27           HZ2      TRP  27   0.137  -5.010   7.988
  223    HZ3  TRP  27           HZ3      TRP  27  -3.378  -5.301   5.582
  224    HH2  TRP  27           HH2      TRP  27  -1.922  -6.187   7.330
  225    H    LEU  28           HN       LEU  28   1.067   0.508   1.549
  226    HA   LEU  28           HA       LEU  28  -1.083   2.082   0.293
  227    HB2  LEU  28           HB2      LEU  28   1.879   2.474   0.151
  228    HB3  LEU  28           HB1      LEU  28   0.891   2.893  -1.236
  229    HG   LEU  28           HG       LEU  28  -0.465   4.207   0.686
  230   HD11  LEU  28          HD11      LEU  28   1.029   3.561   2.467
  231   HD12  LEU  28          HD12      LEU  28   1.175   5.292   2.160
  232   HD13  LEU  28          HD13      LEU  28   2.413   4.183   1.566
  233   HD21  LEU  28          HD21      LEU  28   0.643   6.210  -0.078
  234   HD22  LEU  28          HD22      LEU  28   0.418   5.109  -1.438
  235   HD23  LEU  28          HD23      LEU  28   2.003   5.263  -0.681
  236    H    ILE  29           HN       ILE  29  -1.682   1.488  -1.760
  237    HA   ILE  29           HA       ILE  29  -0.684  -1.127  -2.618
  238    HB   ILE  29           HB       ILE  29  -3.102   0.387  -3.609
  239   HG12  ILE  29          HG12      ILE  29  -3.123  -2.019  -1.800
  240   HG13  ILE  29          HG11      ILE  29  -3.079  -0.382  -1.153
  241   HG21  ILE  29          HG21      ILE  29  -3.762  -1.759  -4.575
  242   HG22  ILE  29          HG22      ILE  29  -2.252  -2.473  -4.011
  243   HG23  ILE  29          HG23      ILE  29  -2.224  -1.198  -5.229
  244   HD11  ILE  29          HD11      ILE  29  -5.221  -1.559  -2.905
  245   HD12  ILE  29          HD12      ILE  29  -5.170   0.114  -2.356
  246   HD13  ILE  29          HD13      ILE  29  -5.344  -1.191  -1.185
  247    H    LEU  30           HN       LEU  30   0.945  -1.073  -3.992
  248    HA   LEU  30           HA       LEU  30   0.865   0.892  -6.197
  249    HB2  LEU  30           HB2      LEU  30   3.337  -0.296  -4.928
  250    HB3  LEU  30           HB1      LEU  30   3.300   0.884  -6.222
  251    HG   LEU  30           HG       LEU  30   2.273   1.400  -3.433
  252   HD11  LEU  30          HD11      LEU  30   4.312   2.706  -3.124
  253   HD12  LEU  30          HD12      LEU  30   4.889   2.183  -4.707
  254   HD13  LEU  30          HD13      LEU  30   4.677   1.004  -3.413
  255   HD21  LEU  30          HD21      LEU  30   2.769   3.207  -5.797
  256   HD22  LEU  30          HD22      LEU  30   2.400   3.763  -4.165
  257   HD23  LEU  30          HD23      LEU  30   1.211   2.819  -5.061
  258    H    HIS  31           HN       HIS  31   0.377  -0.129  -8.026
  259    HA   HIS  31           HA       HIS  31   0.329  -1.653  -9.717
  260    HB2  HIS  31           HB2      HIS  31   2.956  -2.244  -8.441
  261    HB3  HIS  31           HB1      HIS  31   2.318  -3.445  -9.556
  262    HD1  HIS  31           HD1      HIS  31   2.891  -3.070 -11.944
  263    HD2  HIS  31           HD2      HIS  31   3.111   0.433  -9.723
  264    HE1  HIS  31           HE1      HIS  31   3.710  -1.315 -13.537
  265    HE2  HIS  31           HE2      HIS  31   3.553   0.840 -12.242
  266    H    HIS  32           HN       HIS  32  -1.111  -2.061  -7.306
  267    HA   HIS  32           HA       HIS  32  -2.589  -3.547  -6.452
  268    HB2  HIS  32           HB2      HIS  32  -1.425  -5.486  -8.455
  269    HB3  HIS  32           HB1      HIS  32  -2.839  -5.803  -7.457
  270    HD1  HIS  32           HD1      HIS  32  -2.551  -5.470 -10.722
  271    HD2  HIS  32           HD2      HIS  32  -4.351  -2.891  -7.997
  272    HE1  HIS  32           HE1      HIS  32  -4.206  -4.117 -12.053
  273    HE2  HIS  32           HE2      HIS  32  -5.393  -2.686 -10.355
  274    H    LYS  33           HN       LYS  33   0.402  -3.347  -5.776
  275    HA   LYS  33           HA       LYS  33   0.607  -5.777  -4.130
  276    HB2  LYS  33           HB2      LYS  33   2.746  -3.764  -4.869
  277    HB3  LYS  33           HB1      LYS  33   2.996  -5.233  -3.934
  278    HG2  LYS  33           HG2      LYS  33   1.876  -5.378  -6.702
  279    HG3  LYS  33           HG1      LYS  33   3.611  -5.179  -6.446
  280    HD2  LYS  33           HD2      LYS  33   3.454  -7.185  -4.892
  281    HD3  LYS  33           HD1      LYS  33   1.845  -7.441  -5.565
  282    HE2  LYS  33           HE2      LYS  33   2.689  -7.850  -7.717
  283    HE3  LYS  33           HE1      LYS  33   4.268  -7.175  -7.316
  284    HZ1  LYS  33           HZ1      LYS  33   3.142  -9.661  -6.140
  285    HZ2  LYS  33           HZ2      LYS  33   4.694  -9.030  -5.877
  286    HZ3  LYS  33           HZ3      LYS  33   4.269  -9.611  -7.405
  287    H    VAL  34           HN       VAL  34   0.901  -5.569  -1.897
  288    HA   VAL  34           HA       VAL  34   0.189  -2.933  -0.826
  289    HB   VAL  34           HB       VAL  34   0.286  -5.523   0.722
  290   HG11  VAL  34          HG11      VAL  34  -1.197  -4.387   2.257
  291   HG12  VAL  34          HG12      VAL  34  -1.251  -2.974   1.204
  292   HG13  VAL  34          HG13      VAL  34   0.255  -3.418   2.005
  293   HG21  VAL  34          HG21      VAL  34  -1.231  -5.810  -1.180
  294   HG22  VAL  34          HG22      VAL  34  -2.099  -4.349  -0.709
  295   HG23  VAL  34          HG23      VAL  34  -2.108  -5.760   0.349
  296    H    TYR  35           HN       TYR  35   1.778  -1.690  -0.131
  297    HA   TYR  35           HA       TYR  35   4.207  -2.989   0.913
  298    HB2  TYR  35           HB2      TYR  35   3.849  -0.371  -0.543
  299    HB3  TYR  35           HB1      TYR  35   5.316  -0.771   0.343
  300    HD1  TYR  35           HD2      TYR  35   6.557  -2.906  -0.336
  301    HD2  TYR  35           HD1      TYR  35   3.572  -1.084  -2.756
  302    HE1  TYR  35           HE2      TYR  35   7.426  -4.105  -2.300
  303    HE2  TYR  35           HE1      TYR  35   4.429  -2.279  -4.726
  304    HH   TYR  35           HH       TYR  35   6.642  -3.300  -5.442
  305    H    ASP  36           HN       ASP  36   4.937  -2.487   2.887
  306    HA   ASP  36           HA       ASP  36   3.375  -0.557   4.479
  307    HB2  ASP  36           HB2      ASP  36   3.331  -2.913   5.274
  308    HB3  ASP  36           HB1      ASP  36   5.083  -2.880   5.417
  309    H    LEU  37           HN       LEU  37   4.395   1.326   4.579
  310    HA   LEU  37           HA       LEU  37   7.253   1.293   5.242
  311    HB2  LEU  37           HB2      LEU  37   7.832   2.883   3.670
  312    HB3  LEU  37           HB1      LEU  37   6.666   1.918   2.792
  313    HG   LEU  37           HG       LEU  37   5.923   4.492   4.166
  314   HD11  LEU  37          HD11      LEU  37   6.877   4.053   1.342
  315   HD12  LEU  37          HD12      LEU  37   7.634   5.054   2.582
  316   HD13  LEU  37          HD13      LEU  37   6.070   5.516   1.910
  317   HD21  LEU  37          HD21      LEU  37   4.068   4.424   2.524
  318   HD22  LEU  37          HD22      LEU  37   4.041   3.087   3.672
  319   HD23  LEU  37          HD23      LEU  37   4.613   2.825   2.024
  320    H    THR  38           HN       THR  38   5.026   1.388   6.942
  321    HA   THR  38           HA       THR  38   4.219   3.939   7.724
  322    HB   THR  38           HB       THR  38   3.440   1.516   8.434
  323    HG1  THR  38           HG1      THR  38   3.295   3.880  10.020
  324   HG21  THR  38          HG21      THR  38   5.141   2.354  10.785
  325   HG22  THR  38          HG22      THR  38   5.476   0.990   9.720
  326   HG23  THR  38          HG23      THR  38   4.034   0.981  10.736
  327    H    LYS  39           HN       LYS  39   7.295   2.498   8.075
  328    HA   LYS  39           HA       LYS  39   8.011   4.470  10.135
  329    HB2  LYS  39           HB2      LYS  39   9.082   1.742   9.511
  330    HB3  LYS  39           HB1      LYS  39  10.114   2.921  10.312
  331    HG2  LYS  39           HG2      LYS  39   7.527   1.750  11.299
  332    HG3  LYS  39           HG1      LYS  39   9.135   1.612  12.015
  333    HD2  LYS  39           HD2      LYS  39   9.086   4.121  12.307
  334    HD3  LYS  39           HD1      LYS  39   7.379   4.055  11.872
  335    HE2  LYS  39           HE2      LYS  39   6.913   2.631  13.765
  336    HE3  LYS  39           HE1      LYS  39   8.629   2.550  14.165
  337    HZ1  LYS  39           HZ1      LYS  39   7.521   4.150  15.566
  338    HZ2  LYS  39           HZ2      LYS  39   6.938   4.992  14.223
  339    HZ3  LYS  39           HZ3      LYS  39   8.596   4.953  14.539
  340    H    PHE  40           HN       PHE  40   8.008   4.220   6.944
  341    HA   PHE  40           HA       PHE  40  10.662   5.458   6.588
  342    HB2  PHE  40           HB2      PHE  40  10.003   3.314   5.299
  343    HB3  PHE  40           HB1      PHE  40   8.948   4.364   4.364
  344    HD1  PHE  40           HD1      PHE  40  12.493   3.984   5.412
  345    HD2  PHE  40           HD2      PHE  40   9.767   5.453   2.497
  346    HE1  PHE  40           HE1      PHE  40  14.382   4.553   3.938
  347    HE2  PHE  40           HE2      PHE  40  11.647   6.027   1.021
  348    HZ   PHE  40           HZ       PHE  40  13.958   5.577   1.738
  349    H    LEU  41           HN       LEU  41   7.606   6.273   7.130
  350    HA   LEU  41           HA       LEU  41   6.809   8.028   5.127
  351    HB2  LEU  41           HB2      LEU  41   6.330   8.354   8.089
  352    HB3  LEU  41           HB1      LEU  41   5.384   9.063   6.797
  353    HG   LEU  41           HG       LEU  41   5.601   6.105   7.349
  354   HD11  LEU  41          HD11      LEU  41   4.407   7.314   9.121
  355   HD12  LEU  41          HD12      LEU  41   3.334   6.271   8.187
  356   HD13  LEU  41          HD13      LEU  41   3.334   8.012   7.905
  357   HD21  LEU  41          HD21      LEU  41   3.795   7.624   5.473
  358   HD22  LEU  41          HD22      LEU  41   3.777   5.885   5.759
  359   HD23  LEU  41          HD23      LEU  41   5.175   6.637   4.993
  360    H    GLU  42           HN       GLU  42   8.685   8.728   8.058
  361    HA   GLU  42           HA       GLU  42   9.071  11.476   7.374
  362    HB2  GLU  42           HB2      GLU  42  10.724  11.377   9.292
  363    HB3  GLU  42           HB1      GLU  42   9.056  10.974   9.674
  364    HG2  GLU  42           HG2      GLU  42  10.054   8.521   9.090
  365    HG3  GLU  42           HG1      GLU  42  11.471   9.312   9.778
  366    H    GLU  43           HN       GLU  43  10.654   8.564   6.549
  367    HA   GLU  43           HA       GLU  43  13.166   9.872   5.868
  368    HB2  GLU  43           HB2      GLU  43  12.359   6.993   5.427
  369    HB3  GLU  43           HB1      GLU  43  13.983   7.658   5.328
  370    HG2  GLU  43           HG2      GLU  43  13.545   8.332   7.811
  371    HG3  GLU  43           HG1      GLU  43  12.317   7.070   7.725
  372    H    HIS  44           HN       HIS  44  10.253   9.743   4.507
  373    HA   HIS  44           HA       HIS  44  11.056   9.176   1.777
  374    HB2  HIS  44           HB2      HIS  44   8.827   8.500   2.743
  375    HB3  HIS  44           HB1      HIS  44   8.399  10.204   2.804
  376    HD1  HIS  44           HD1      HIS  44   7.206  11.058   0.788
  377    HD2  HIS  44           HD2      HIS  44   9.433   7.633  -0.016
  378    HE1  HIS  44           HE1      HIS  44   6.664  10.401  -1.599
  379    HA   PRO  45           HA       PRO  45  12.204  13.514   1.383
  380    HB2  PRO  45           HB2      PRO  45  13.113  13.318  -1.179
  381    HB3  PRO  45           HB1      PRO  45  14.071  12.839   0.228
  382    HG2  PRO  45           HG2      PRO  45  12.518  11.136  -1.654
  383    HG3  PRO  45           HG1      PRO  45  14.103  10.842  -0.912
  384    HD2  PRO  45           HD2      PRO  45  11.828   9.684  -0.013
  385    HD3  PRO  45           HD1      PRO  45  13.198  10.077   1.047
  386    H    GLY  46           HN       GLY  46  10.352  14.653   1.310
  387    HA2  GLY  46           HA2      GLY  46   9.247  15.983  -0.601
  388    HA3  GLY  46           HA1      GLY  46   8.625  14.403  -1.061
  389    H    GLY  47           HN       GLY  47   8.722  14.041   2.081
  390    HA2  GLY  47           HA2      GLY  47   7.341  14.890   3.862
  391    HA3  GLY  47           HA1      GLY  47   6.216  15.480   2.645
  392    H    GLU  48           HN       GLU  48   5.639  13.802   4.936
  393    HA   GLU  48           HA       GLU  48   5.087  11.179   3.791
  394    HB2  GLU  48           HB2      GLU  48   4.343  10.548   6.004
  395    HB3  GLU  48           HB1      GLU  48   5.898  11.357   6.120
  396    HG2  GLU  48           HG2      GLU  48   3.422  12.964   6.474
  397    HG3  GLU  48           HG1      GLU  48   3.945  11.902   7.780
  398    H    GLU  49           HN       GLU  49   3.596  14.162   3.915
  399    HA   GLU  49           HA       GLU  49   0.916  13.637   4.404
  400    HB2  GLU  49           HB2      GLU  49   2.044  15.882   4.004
  401    HB3  GLU  49           HB1      GLU  49   1.891  15.541   2.285
  402    HG2  GLU  49           HG2      GLU  49   0.042  16.856   2.751
  403    HG3  GLU  49           HG1      GLU  49  -0.601  15.215   2.766
  404    H    VAL  50           HN       VAL  50   2.712  13.395   1.362
  405    HA   VAL  50           HA       VAL  50   0.519  12.692  -0.260
  406    HB   VAL  50           HB       VAL  50   2.208  11.866  -1.881
  407   HG11  VAL  50          HG11      VAL  50   3.407  14.053  -2.134
  408   HG12  VAL  50          HG12      VAL  50   2.691  14.549  -0.601
  409   HG13  VAL  50          HG13      VAL  50   1.657  14.173  -1.978
  410   HG21  VAL  50          HG21      VAL  50   4.604  12.169  -1.345
  411   HG22  VAL  50          HG22      VAL  50   3.834  10.915  -0.377
  412   HG23  VAL  50          HG23      VAL  50   4.163  12.494   0.331
  413    H    LEU  51           HN       LEU  51   2.316  10.862   2.018
  414    HA   LEU  51           HA       LEU  51   1.594   8.308   0.828
  415    HB2  LEU  51           HB2      LEU  51   3.041   8.906   3.410
  416    HB3  LEU  51           HB1      LEU  51   2.878   7.328   2.665
  417    HG   LEU  51           HG       LEU  51   4.306   9.628   1.334
  418   HD11  LEU  51          HD11      LEU  51   5.511   7.388   2.952
  419   HD12  LEU  51          HD12      LEU  51   5.383   9.068   3.474
  420   HD13  LEU  51          HD13      LEU  51   6.387   8.650   2.084
  421   HD21  LEU  51          HD21      LEU  51   4.296   6.653   0.833
  422   HD22  LEU  51          HD22      LEU  51   5.293   7.832  -0.020
  423   HD23  LEU  51          HD23      LEU  51   3.537   7.887  -0.171
  424    H    ARG  52           HN       ARG  52   0.896  10.229   3.715
  425    HA   ARG  52           HA       ARG  52  -0.842   8.305   4.871
  426    HB2  ARG  52           HB2      ARG  52  -1.530  10.148   6.388
  427    HB3  ARG  52           HB1      ARG  52   0.209   9.904   6.309
  428    HG2  ARG  52           HG2      ARG  52   0.241  12.137   6.111
  429    HG3  ARG  52           HG1      ARG  52  -0.098  11.793   4.415
  430    HD2  ARG  52           HD2      ARG  52  -1.577  13.534   5.349
  431    HD3  ARG  52           HD1      ARG  52  -2.460  12.123   4.771
  432    HE   ARG  52           HE       ARG  52  -2.945  11.527   6.985
  433   HH11  ARG  52          HH11      ARG  52  -1.094  14.535   6.753
  434   HH12  ARG  52          HH12      ARG  52  -1.494  15.020   8.452
  435   HH21  ARG  52          HH21      ARG  52  -3.460  12.129   9.119
  436   HH22  ARG  52          HH22      ARG  52  -2.818  13.687   9.765
  437    H    GLU  53           HN       GLU  53  -1.307  10.726   2.443
  438    HA   GLU  53           HA       GLU  53  -4.177  10.823   2.773
  439    HB2  GLU  53           HB2      GLU  53  -4.175  12.240   0.797
  440    HB3  GLU  53           HB1      GLU  53  -2.940  12.774   1.927
  441    HG2  GLU  53           HG2      GLU  53  -1.212  11.769   0.595
  442    HG3  GLU  53           HG1      GLU  53  -2.409  11.063  -0.490
  443    H    GLN  54           HN       GLN  54  -2.012   8.664   1.404
  444    HA   GLN  54           HA       GLN  54  -4.136   7.526  -0.294
  445    HB2  GLN  54           HB2      GLN  54  -1.170   7.686  -0.736
  446    HB3  GLN  54           HB1      GLN  54  -2.120   6.413  -1.493
  447    HG2  GLN  54           HG2      GLN  54  -2.541   9.375  -1.822
  448    HG3  GLN  54           HG1      GLN  54  -1.795   8.294  -2.995
  449   HE21  GLN  54          HE21      GLN  54  -4.756   9.338  -1.538
  450   HE22  GLN  54          HE22      GLN  54  -5.824   8.531  -2.635
  451    H    ALA  55           HN       ALA  55  -3.038   7.192   2.585
  452    HA   ALA  55           HA       ALA  55  -2.044   4.560   2.797
  453    HB1  ALA  55           HB1      ALA  55  -3.554   6.163   4.864
  454    HB2  ALA  55           HB2      ALA  55  -1.813   6.236   4.583
  455    HB3  ALA  55           HB3      ALA  55  -2.550   4.743   5.165
  456    H    GLY  56           HN       GLY  56  -3.053   2.747   2.333
  457    HA2  GLY  56           HA2      GLY  56  -4.748   1.135   2.554
  458    HA3  GLY  56           HA1      GLY  56  -5.854   2.396   3.084
  459    H    GLY  57           HN       GLY  57  -4.265   3.563   0.453
  460    HA2  GLY  57           HA2      GLY  57  -6.360   2.585  -1.384
  461    HA3  GLY  57           HA1      GLY  57  -5.822   4.258  -1.359
  462    H    ASP  58           HN       ASP  58  -5.712   3.284  -3.723
  463    HA   ASP  58           HA       ASP  58  -3.050   2.150  -4.162
  464    HB2  ASP  58           HB2      ASP  58  -3.836   1.595  -6.422
  465    HB3  ASP  58           HB1      ASP  58  -4.890   0.914  -5.191
  466    H    ALA  59           HN       ALA  59  -1.465   3.386  -4.772
  467    HA   ALA  59           HA       ALA  59  -2.078   5.930  -6.135
  468    HB1  ALA  59           HB1      ALA  59  -0.099   6.886  -5.070
  469    HB2  ALA  59           HB2      ALA  59   0.207   5.357  -4.249
  470    HB3  ALA  59           HB3      ALA  59  -1.237   6.290  -3.861
  471    H    THR  60           HN       THR  60  -1.539   3.240  -7.188
  472    HA   THR  60           HA       THR  60   0.980   2.786  -8.166
  473    HB   THR  60           HB       THR  60  -1.614   2.331  -9.640
  474    HG1  THR  60           HG1      THR  60  -1.979   0.940  -8.112
  475   HG21  THR  60          HG21      THR  60   1.006   0.867  -9.882
  476   HG22  THR  60          HG22      THR  60   0.416   2.072 -11.028
  477   HG23  THR  60          HG23      THR  60  -0.466   0.560 -10.803
  478    H    GLU  61           HN       GLU  61  -1.582   4.685  -9.751
  479    HA   GLU  61           HA       GLU  61  -0.167   5.376 -12.046
  480    HB2  GLU  61           HB2      GLU  61  -1.792   7.378 -12.069
  481    HB3  GLU  61           HB1      GLU  61  -2.451   5.756 -12.163
  482    HG2  GLU  61           HG2      GLU  61  -2.542   6.094  -9.512
  483    HG3  GLU  61           HG1      GLU  61  -2.686   7.773 -10.027
  484    H    ASN  62           HN       ASN  62  -0.204   6.944  -8.883
  485    HA   ASN  62           HA       ASN  62   1.216   9.272  -9.757
  486    HB2  ASN  62           HB2      ASN  62  -0.256   8.945  -7.622
  487    HB3  ASN  62           HB1      ASN  62   1.228   8.319  -6.908
  488   HD21  ASN  62          HD21      ASN  62  -0.454  11.112  -8.012
  489   HD22  ASN  62          HD22      ASN  62   0.696  12.280  -7.460
  490    H    PHE  63           HN       PHE  63   2.102   6.176  -8.383
  491    HA   PHE  63           HA       PHE  63   4.750   6.637  -7.681
  492    HB2  PHE  63           HB2      PHE  63   3.377   4.573  -7.233
  493    HB3  PHE  63           HB1      PHE  63   3.667   4.092  -8.899
  494    HD1  PHE  63           HD2      PHE  63   5.254   4.684  -5.629
  495    HD2  PHE  63           HD1      PHE  63   5.734   3.109  -9.553
  496    HE1  PHE  63           HE2      PHE  63   7.336   3.576  -4.925
  497    HE2  PHE  63           HE1      PHE  63   7.818   1.999  -8.857
  498    HZ   PHE  63           HZ       PHE  63   8.622   2.231  -6.539
  499    H    GLU  64           HN       GLU  64   3.430   5.565 -10.800
  500    HA   GLU  64           HA       GLU  64   6.029   5.655 -12.050
  501    HB2  GLU  64           HB2      GLU  64   4.446   5.293 -14.164
  502    HB3  GLU  64           HB1      GLU  64   4.894   3.978 -13.089
  503    HG2  GLU  64           HG2      GLU  64   2.703   4.648 -11.834
  504    HG3  GLU  64           HG1      GLU  64   2.288   5.393 -13.375
  505    H    ASP  65           HN       ASP  65   3.278   7.751 -11.722
  506    HA   ASP  65           HA       ASP  65   3.727   9.488 -13.877
  507    HB2  ASP  65           HB2      ASP  65   1.707   9.526 -12.391
  508    HB3  ASP  65           HB1      ASP  65   2.696  10.276 -11.144
  509    H    VAL  66           HN       VAL  66   4.965   9.530 -10.563
  510    HA   VAL  66           HA       VAL  66   6.594  11.845 -10.945
  511    HB   VAL  66           HB       VAL  66   6.801   9.682  -8.837
  512   HG11  VAL  66          HG11      VAL  66   8.871  11.013  -9.115
  513   HG12  VAL  66          HG12      VAL  66   8.099  11.266  -7.551
  514   HG13  VAL  66          HG13      VAL  66   7.935  12.478  -8.819
  515   HG21  VAL  66          HG21      VAL  66   4.633  10.796  -8.795
  516   HG22  VAL  66          HG22      VAL  66   5.428  12.367  -8.762
  517   HG23  VAL  66          HG23      VAL  66   5.600  11.266  -7.398
  518    H    GLY  67           HN       GLY  67   7.185   8.349 -10.944
  519    HA2  GLY  67           HA2      GLY  67   8.748   7.237 -12.299
  520    HA3  GLY  67           HA1      GLY  67   9.516   8.784 -12.643
  521    H    HIS  68           HN       HIS  68   9.231   6.161 -10.375
  522    HA   HIS  68           HA       HIS  68  11.163   7.262  -8.541
  523    HB2  HIS  68           HB2      HIS  68   9.621   4.690  -8.689
  524    HB3  HIS  68           HB1      HIS  68  10.964   4.861  -7.564
  525    HD1  HIS  68           HD1      HIS  68   7.804   6.873  -8.395
  526    HD2  HIS  68           HD2      HIS  68  10.146   5.698  -5.164
  527    HE1  HIS  68           HE1      HIS  68   6.686   7.803  -6.328
  528    H    SER  69           HN       SER  69  13.216   6.402  -8.111
  529    HA   SER  69           HA       SER  69  14.658   5.620 -10.446
  530    HB2  SER  69           HB2      SER  69  16.567   5.440  -8.728
  531    HB3  SER  69           HB1      SER  69  15.830   7.026  -8.959
  532    HG   SER  69           HG       SER  69  15.256   7.003  -6.948
  533    H    THR  70           HN       THR  70  16.116   3.742 -10.518
  534    HA   THR  70           HA       THR  70  14.733   1.334 -10.154
  535    HB   THR  70           HB       THR  70  17.725   1.431 -10.412
  536    HG1  THR  70           HG1      THR  70  15.743   2.171 -12.324
  537   HG21  THR  70          HG21      THR  70  15.647  -0.307 -11.751
  538   HG22  THR  70          HG22      THR  70  16.516  -0.754 -10.283
  539   HG23  THR  70          HG23      THR  70  17.396  -0.520 -11.795
  540    H    ASP  71           HN       ASP  71  17.227   2.896  -8.195
  541    HA   ASP  71           HA       ASP  71  17.645   0.740  -6.417
  542    HB2  ASP  71           HB2      ASP  71  18.266   3.644  -6.423
  543    HB3  ASP  71           HB1      ASP  71  18.267   2.836  -4.859
  544    H    ALA  72           HN       ALA  72  15.336   3.380  -6.464
  545    HA   ALA  72           HA       ALA  72  14.342   3.055  -3.844
  546    HB1  ALA  72           HB1      ALA  72  12.881   4.169  -6.235
  547    HB2  ALA  72           HB2      ALA  72  13.997   5.081  -5.215
  548    HB3  ALA  72           HB3      ALA  72  12.496   4.447  -4.536
  549    H    ARG  73           HN       ARG  73  13.130   1.826  -6.970
  550    HA   ARG  73           HA       ARG  73  10.919   0.477  -5.854
  551    HB2  ARG  73           HB2      ARG  73  10.992  -0.870  -8.024
  552    HB3  ARG  73           HB1      ARG  73  10.760   0.865  -8.153
  553    HG2  ARG  73           HG2      ARG  73  12.452   0.944  -9.570
  554    HG3  ARG  73           HG1      ARG  73  13.534   0.441  -8.272
  555    HD2  ARG  73           HD2      ARG  73  13.825  -1.062 -10.108
  556    HD3  ARG  73           HD1      ARG  73  12.982  -1.926  -8.822
  557    HE   ARG  73           HE       ARG  73  11.450  -0.721 -11.016
  558   HH11  ARG  73          HH11      ARG  73  12.614  -3.573  -9.305
  559   HH12  ARG  73          HH12      ARG  73  11.404  -4.661 -10.103
  560   HH21  ARG  73          HH21      ARG  73   9.928  -2.065 -12.046
  561   HH22  ARG  73          HH22      ARG  73   9.908  -3.823 -11.631
  562    H    GLU  74           HN       GLU  74  14.250  -0.533  -6.371
  563    HA   GLU  74           HA       GLU  74  13.788  -3.281  -5.790
  564    HB2  GLU  74           HB2      GLU  74  16.314  -1.625  -5.716
  565    HB3  GLU  74           HB1      GLU  74  16.276  -3.367  -5.479
  566    HG2  GLU  74           HG2      GLU  74  15.448  -1.874  -7.955
  567    HG3  GLU  74           HG1      GLU  74  16.904  -2.845  -7.748
  568    H    LEU  75           HN       LEU  75  14.824  -0.496  -3.865
  569    HA   LEU  75           HA       LEU  75  15.319  -1.879  -1.460
  570    HB2  LEU  75           HB2      LEU  75  16.119   0.386  -1.839
  571    HB3  LEU  75           HB1      LEU  75  14.472   0.979  -1.949
  572    HG   LEU  75           HG       LEU  75  14.171   0.267   0.459
  573   HD11  LEU  75          HD11      LEU  75  16.148  -0.068   1.802
  574   HD12  LEU  75          HD12      LEU  75  17.175   0.083   0.379
  575   HD13  LEU  75          HD13      LEU  75  16.081  -1.291   0.533
  576   HD21  LEU  75          HD21      LEU  75  15.302   2.245   1.333
  577   HD22  LEU  75          HD22      LEU  75  14.514   2.594  -0.207
  578   HD23  LEU  75          HD23      LEU  75  16.261   2.354  -0.141
  579    H    SER  76           HN       SER  76  12.401  -0.631  -2.913
  580    HA   SER  76           HA       SER  76  10.743  -0.767  -0.622
  581    HB2  SER  76           HB2      SER  76   9.956  -0.902  -3.542
  582    HB3  SER  76           HB1      SER  76   8.890  -0.506  -2.192
  583    HG   SER  76           HG       SER  76  11.130   0.977  -3.117
  584    H    LYS  77           HN       LYS  77  12.090  -3.223  -2.514
  585    HA   LYS  77           HA       LYS  77   9.972  -5.105  -2.488
  586    HB2  LYS  77           HB2      LYS  77  12.290  -5.004  -3.801
  587    HB3  LYS  77           HB1      LYS  77  12.790  -6.055  -2.482
  588    HG2  LYS  77           HG2      LYS  77  10.983  -7.604  -3.028
  589    HG3  LYS  77           HG1      LYS  77  10.479  -6.546  -4.347
  590    HD2  LYS  77           HD2      LYS  77  12.702  -6.845  -5.389
  591    HD3  LYS  77           HD1      LYS  77  13.126  -7.979  -4.103
  592    HE2  LYS  77           HE2      LYS  77  11.239  -9.410  -4.770
  593    HE3  LYS  77           HE1      LYS  77  10.863  -8.284  -6.073
  594    HZ1  LYS  77           HZ1      LYS  77  12.129 -10.158  -6.881
  595    HZ2  LYS  77           HZ2      LYS  77  13.381  -9.835  -5.793
  596    HZ3  LYS  77           HZ3      LYS  77  13.035  -8.739  -7.038
  597    H    THR  78           HN       THR  78  11.860  -3.919   0.039
  598    HA   THR  78           HA       THR  78  11.677  -6.396   1.578
  599    HB   THR  78           HB       THR  78  13.762  -4.926   1.621
  600    HG1  THR  78           HG1      THR  78  14.002  -6.145   3.324
  601   HG21  THR  78          HG21      THR  78  12.664  -2.753   1.826
  602   HG22  THR  78          HG22      THR  78  13.749  -3.039   3.185
  603   HG23  THR  78          HG23      THR  78  12.007  -3.220   3.394
  604    H    PHE  79           HN       PHE  79   9.814  -3.702   0.932
  605    HA   PHE  79           HA       PHE  79   8.510  -3.696   3.559
  606    HB2  PHE  79           HB2      PHE  79   8.253  -1.814   1.202
  607    HB3  PHE  79           HB1      PHE  79   7.334  -1.669   2.696
  608    HD1  PHE  79           HD2      PHE  79   9.267  -2.101   4.785
  609    HD2  PHE  79           HD1      PHE  79   9.733  -0.070   1.074
  610    HE1  PHE  79           HE2      PHE  79  11.076  -0.747   5.757
  611    HE2  PHE  79           HE1      PHE  79  11.544   1.287   2.041
  612    HZ   PHE  79           HZ       PHE  79  12.219   0.948   4.384
  613    H    ILE  80           HN       ILE  80   8.249  -5.578   1.023
  614    HA   ILE  80           HA       ILE  80   5.403  -5.325   0.524
  615    HB   ILE  80           HB       ILE  80   6.851  -5.898  -1.358
  616   HG12  ILE  80          HG12      ILE  80   5.649  -8.103  -2.010
  617   HG13  ILE  80          HG11      ILE  80   4.810  -7.912  -0.473
  618   HG21  ILE  80          HG21      ILE  80   8.602  -7.115  -0.251
  619   HG22  ILE  80          HG22      ILE  80   7.894  -8.132  -1.505
  620   HG23  ILE  80          HG23      ILE  80   7.484  -8.405   0.187
  621   HD11  ILE  80          HD11      ILE  80   3.534  -7.021  -2.352
  622   HD12  ILE  80          HD12      ILE  80   4.845  -5.894  -2.702
  623   HD13  ILE  80          HD13      ILE  80   3.950  -5.765  -1.186
  624    H    ILE  81           HN       ILE  81   3.863  -6.380   1.585
  625    HA   ILE  81           HA       ILE  81   4.658  -8.702   3.219
  626    HB   ILE  81           HB       ILE  81   2.912  -8.185   4.816
  627   HG12  ILE  81          HG12      ILE  81   1.537  -6.932   2.941
  628   HG13  ILE  81          HG11      ILE  81   1.341  -6.508   4.635
  629   HG21  ILE  81          HG21      ILE  81   4.684  -5.813   4.260
  630   HG22  ILE  81          HG22      ILE  81   5.099  -7.243   5.206
  631   HG23  ILE  81          HG23      ILE  81   3.851  -6.137   5.781
  632   HD11  ILE  81          HD11      ILE  81   3.021  -4.672   4.240
  633   HD12  ILE  81          HD12      ILE  81   1.461  -4.488   3.442
  634   HD13  ILE  81          HD13      ILE  81   2.864  -5.025   2.519
  635    H    GLY  82           HN       GLY  82   2.681  -7.582   0.701
  636    HA2  GLY  82           HA2      GLY  82   1.777 -10.098  -0.039
  637    HA3  GLY  82           HA1      GLY  82   0.516  -9.385   0.957
  638    H    GLU  83           HN       GLU  83  -0.562  -9.768  -1.230
  639    HA   GLU  83           HA       GLU  83  -0.549  -7.225  -2.645
  640    HB2  GLU  83           HB2      GLU  83  -0.779  -8.600  -4.827
  641    HB3  GLU  83           HB1      GLU  83   0.821  -8.340  -4.150
  642    HG2  GLU  83           HG2      GLU  83   0.743 -10.568  -3.135
  643    HG3  GLU  83           HG1      GLU  83  -0.844 -10.828  -3.860
  644    H    LEU  84           HN       LEU  84  -2.412  -7.243  -4.298
  645    HA   LEU  84           HA       LEU  84  -4.807  -7.719  -2.834
  646    HB2  LEU  84           HB2      LEU  84  -4.111  -6.600  -5.500
  647    HB3  LEU  84           HB1      LEU  84  -5.764  -7.123  -5.242
  648    HG   LEU  84           HG       LEU  84  -5.545  -4.736  -4.844
  649   HD11  LEU  84          HD11      LEU  84  -6.617  -4.609  -2.722
  650   HD12  LEU  84          HD12      LEU  84  -5.909  -6.142  -2.213
  651   HD13  LEU  84          HD13      LEU  84  -7.124  -6.113  -3.494
  652   HD21  LEU  84          HD21      LEU  84  -3.192  -4.665  -4.204
  653   HD22  LEU  84          HD22      LEU  84  -3.575  -5.487  -2.692
  654   HD23  LEU  84          HD23      LEU  84  -4.205  -3.870  -2.999
  655    H    HIS  85           HN       HIS  85  -6.563  -9.052  -3.379
  656    HA   HIS  85           HA       HIS  85  -5.881 -11.686  -4.172
  657    HB2  HIS  85           HB2      HIS  85  -8.458 -10.278  -3.550
  658    HB3  HIS  85           HB1      HIS  85  -8.500 -11.884  -4.261
  659    HD1  HIS  85           HD1      HIS  85  -8.386 -13.782  -2.661
  660    HD2  HIS  85           HD2      HIS  85  -6.950 -10.253  -1.000
  661    HE1  HIS  85           HE1      HIS  85  -7.942 -14.306  -0.251
  662    HE2  HIS  85           HE2      HIS  85  -6.886 -12.219   0.682
  663    HA   PRO  86           HA       PRO  86  -6.236 -11.481  -8.585
  664    HB2  PRO  86           HB2      PRO  86  -7.308 -13.969  -9.080
  665    HB3  PRO  86           HB1      PRO  86  -5.593 -13.672  -8.764
  666    HG2  PRO  86           HG2      PRO  86  -7.703 -14.636  -6.888
  667    HG3  PRO  86           HG1      PRO  86  -6.015 -15.162  -7.047
  668    HD2  PRO  86           HD2      PRO  86  -6.785 -13.513  -5.080
  669    HD3  PRO  86           HD1      PRO  86  -5.197 -13.354  -5.859
  670    H    ASP  87           HN       ASP  87  -8.948 -12.562  -6.659
  671    HA   ASP  87           HA       ASP  87 -10.967 -12.326  -8.616
  672    HB2  ASP  87           HB2      ASP  87 -11.259 -12.080  -5.613
  673    HB3  ASP  87           HB1      ASP  87 -12.524 -12.506  -6.763
  674    H    ASP  88           HN       ASP  88  -9.257 -10.015  -6.770
  675    HA   ASP  88           HA       ASP  88 -11.182  -7.920  -7.542
  676    HB2  ASP  88           HB2      ASP  88  -9.198  -7.932  -5.253
  677    HB3  ASP  88           HB1      ASP  88 -10.227  -6.572  -5.691
  678    H    ARG  89           HN       ARG  89  -8.684  -9.281  -8.753
  679    HA   ARG  89           HA       ARG  89  -7.207  -6.811  -9.366
  680    HB2  ARG  89           HB2      ARG  89  -5.977  -8.758  -8.273
  681    HB3  ARG  89           HB1      ARG  89  -6.206  -9.623  -9.785
  682    HG2  ARG  89           HG2      ARG  89  -5.031  -7.730 -10.933
  683    HG3  ARG  89           HG1      ARG  89  -4.626  -7.107  -9.332
  684    HD2  ARG  89           HD2      ARG  89  -3.866  -9.799 -10.462
  685    HD3  ARG  89           HD1      ARG  89  -2.788  -8.427 -10.211
  686    HE   ARG  89           HE       ARG  89  -4.093  -9.246  -7.799
  687   HH11  ARG  89          HH11      ARG  89  -1.411  -9.909  -9.960
  688   HH12  ARG  89          HH12      ARG  89  -0.435 -10.735  -8.691
  689   HH21  ARG  89          HH21      ARG  89  -2.887 -10.260  -6.143
  690   HH22  ARG  89          HH22      ARG  89  -1.249 -10.927  -6.551
  691    H    SER  90           HN       SER  90  -8.335  -9.868 -10.801
  692    HA   SER  90           HA       SER  90  -8.627  -8.440 -13.363
  693    HB2  SER  90           HB2      SER  90  -8.183 -10.961 -14.211
  694    HB3  SER  90           HB1      SER  90  -6.886  -9.788 -13.979
  695    HG   SER  90           HG       SER  90  -7.418 -12.091 -12.621
  696    H    LYS  91           HN       LYS  91 -10.621  -8.842 -11.327
  697    HA   LYS  91           HA       LYS  91 -12.580 -10.285 -12.935
  698    HB2  LYS  91           HB2      LYS  91 -11.617 -11.834 -11.182
  699    HB3  LYS  91           HB1      LYS  91 -12.329 -10.785  -9.966
  700    HG2  LYS  91           HG2      LYS  91 -14.551 -11.209 -11.134
  701    HG3  LYS  91           HG1      LYS  91 -13.714 -12.500 -12.000
  702    HD2  LYS  91           HD2      LYS  91 -13.851 -12.275  -8.994
  703    HD3  LYS  91           HD1      LYS  91 -14.924 -13.277  -9.970
  704    HE2  LYS  91           HE2      LYS  91 -11.981 -13.591 -10.301
  705    HE3  LYS  91           HE1      LYS  91 -12.743 -14.264  -8.862
  706    HZ1  LYS  91           HZ1      LYS  91 -13.785 -14.843 -11.559
  707    HZ2  LYS  91           HZ2      LYS  91 -14.029 -15.701 -10.122
  708    HZ3  LYS  91           HZ3      LYS  91 -12.524 -15.750 -10.891
  709    H    LEU  92           HN       LEU  92 -12.402  -8.821  -9.695
  710    HA   LEU  92           HA       LEU  92 -13.521  -7.139  -8.686
  711    HB2  LEU  92           HB2      LEU  92 -13.553  -6.212 -11.530
  712    HB3  LEU  92           HB1      LEU  92 -14.461  -5.328 -10.322
  713    HG   LEU  92           HG       LEU  92 -12.418  -4.188 -10.493
  714   HD11  LEU  92          HD11      LEU  92 -11.455  -4.340  -8.342
  715   HD12  LEU  92          HD12      LEU  92 -11.931  -6.027  -8.169
  716   HD13  LEU  92          HD13      LEU  92 -13.159  -4.762  -8.161
  717   HD21  LEU  92          HD21      LEU  92 -11.061  -6.876 -10.399
  718   HD22  LEU  92          HD22      LEU  92 -10.221  -5.327 -10.341
  719   HD23  LEU  92          HD23      LEU  92 -11.149  -5.773 -11.772
  720    H    SER  93           HN       SER  93 -15.020  -9.205  -8.549
  721    HA   SER  93           HA       SER  93 -17.688  -8.386  -9.492
  722    HB2  SER  93           HB2      SER  93 -16.769 -11.174  -8.746
  723    HB3  SER  93           HB1      SER  93 -18.345 -10.732  -9.403
  724    HG   SER  93           HG       SER  93 -16.527  -9.752 -11.045
  725    H    LYS  94           HN       LYS  94 -17.462  -6.947  -7.563
  726    HA   LYS  94           HA       LYS  94 -18.531  -8.296  -5.184
  727    HB2  LYS  94           HB2      LYS  94 -16.003  -6.851  -5.402
  728    HB3  LYS  94           HB1      LYS  94 -17.050  -6.181  -4.162
  729    HG2  LYS  94           HG2      LYS  94 -15.789  -7.723  -2.998
  730    HG3  LYS  94           HG1      LYS  94 -17.269  -8.616  -3.345
  731    HD2  LYS  94           HD2      LYS  94 -16.249  -9.962  -4.913
  732    HD3  LYS  94           HD1      LYS  94 -14.986  -8.780  -5.261
  733    HE2  LYS  94           HE2      LYS  94 -15.230 -10.340  -2.693
  734    HE3  LYS  94           HE1      LYS  94 -14.161 -10.761  -4.030
  735    HZ1  LYS  94           HZ1      LYS  94 -12.891  -9.564  -2.452
  736    HZ2  LYS  94           HZ2      LYS  94 -14.040  -8.334  -2.327
  737    HZ3  LYS  94           HZ3      LYS  94 -13.143  -8.512  -3.756
  738    HA   PRO  95           HA       PRO  95 -21.439  -4.940  -5.313
  739    HB2  PRO  95           HB2      PRO  95 -22.338  -4.998  -2.759
  740    HB3  PRO  95           HB1      PRO  95 -22.765  -6.243  -3.939
  741    HG2  PRO  95           HG2      PRO  95 -20.707  -6.330  -1.783
  742    HG3  PRO  95           HG1      PRO  95 -21.846  -7.587  -2.304
  743    HD2  PRO  95           HD2      PRO  95 -19.239  -7.561  -3.060
  744    HD3  PRO  95           HD1      PRO  95 -20.533  -8.246  -4.062
  745    H    MET  96           HN       MET  96 -21.964  -2.888  -4.036
  746    HA   MET  96           HA       MET  96 -19.460  -1.795  -2.941
  747    HB2  MET  96           HB2      MET  96 -19.994  -0.859  -5.142
  748    HB3  MET  96           HB1      MET  96 -21.569  -0.352  -4.551
  749    HG2  MET  96           HG2      MET  96 -20.473   1.146  -2.950
  750    HG3  MET  96           HG1      MET  96 -18.903   0.647  -3.582
  751    HE1  MET  96           HE1      MET  96 -22.324   2.240  -4.403
  752    HE2  MET  96           HE2      MET  96 -22.161   1.243  -5.850
  753    HE3  MET  96           HE3      MET  96 -22.068   2.997  -5.972
  754    H    GLU  97           HN       GLU  97 -22.783  -0.571  -3.066
  755    HA   GLU  97           HA       GLU  97 -24.228   0.173  -1.506
  756    HB2  GLU  97           HB2      GLU  97 -22.975  -2.078  -0.259
  757    HB3  GLU  97           HB1      GLU  97 -23.265  -0.836   0.954
  758    HG2  GLU  97           HG2      GLU  97 -25.113  -2.482   0.680
  759    HG3  GLU  97           HG1      GLU  97 -25.593  -0.798   0.473
  760    H    THR  98           HN       THR  98 -24.039   2.295  -1.261
  761    HA   THR  98           HA       THR  98 -22.468   3.335   0.908
  762    HB   THR  98           HB       THR  98 -20.790   3.187  -0.940
  763    HG1  THR  98           HG1      THR  98 -20.193   4.763   0.381
  764   HG21  THR  98          HG21      THR  98 -22.512   5.279  -2.272
  765   HG22  THR  98          HG22      THR  98 -22.342   3.609  -2.814
  766   HG23  THR  98          HG23      THR  98 -20.948   4.693  -2.840
  767    H    LEU  99           HN       LEU  99 -22.668   5.824   0.928
  768    HA   LEU  99           HA       LEU  99 -24.034   7.619   1.185
  769    HB2  LEU  99           HB2      LEU  99 -25.080   6.694  -1.492
  770    HB3  LEU  99           HB1      LEU  99 -25.386   8.268  -0.780
  771    HG   LEU  99           HG       LEU  99 -22.590   7.309  -1.351
  772   HD11  LEU  99          HD11      LEU  99 -23.814   7.215  -3.447
  773   HD12  LEU  99          HD12      LEU  99 -22.697   8.579  -3.445
  774   HD13  LEU  99          HD13      LEU  99 -24.419   8.849  -3.186
  775   HD21  LEU  99          HD21      LEU  99 -22.921   9.203   0.204
  776   HD22  LEU  99          HD22      LEU  99 -23.758  10.073  -1.081
  777   HD23  LEU  99          HD23      LEU  99 -22.056   9.656  -1.264
  778    H    ILE 100           HN       ILE 100 -24.904   5.143   2.332
  779    HA   ILE 100           HA       ILE 100 -27.820   5.258   2.110
  780    HB   ILE 100           HB       ILE 100 -27.703   3.216   3.620
  781   HG12  ILE 100          HG12      ILE 100 -24.791   3.236   2.789
  782   HG13  ILE 100          HG11      ILE 100 -25.352   3.681   4.397
  783   HG21  ILE 100          HG21      ILE 100 -26.393   3.054   0.907
  784   HG22  ILE 100          HG22      ILE 100 -28.131   3.079   1.221
  785   HG23  ILE 100          HG23      ILE 100 -27.152   1.718   1.772
  786   HD11  ILE 100          HD11      ILE 100 -24.505   1.386   4.284
  787   HD12  ILE 100          HD12      ILE 100 -25.755   0.994   3.104
  788   HD13  ILE 100          HD13      ILE 100 -26.207   1.449   4.748
  789    H    THR 101           HN       THR 101 -25.881   7.140   3.606
  790    HA   THR 101           HA       THR 101 -27.585   7.481   5.920
  791    HB   THR 101           HB       THR 101 -24.621   7.302   6.445
  792    HG1  THR 101           HG1      THR 101 -26.488   5.232   6.201
  793   HG21  THR 101          HG21      THR 101 -25.319   7.069   8.755
  794   HG22  THR 101          HG22      THR 101 -27.014   7.027   8.269
  795   HG23  THR 101          HG23      THR 101 -26.070   8.504   8.055
  796    H    THR 102           HN       THR 102 -27.628   9.593   6.597
  797    HA   THR 102           HA       THR 102 -26.484  11.545   4.833
  798    HB   THR 102           HB       THR 102 -27.818  12.343   7.374
  799    HG1  THR 102           HG1      THR 102 -29.147  11.058   5.187
  800   HG21  THR 102          HG21      THR 102 -27.159  14.019   5.710
  801   HG22  THR 102          HG22      THR 102 -28.913  13.952   5.886
  802   HG23  THR 102          HG23      THR 102 -28.137  13.198   4.491
  803    H    VAL 103           HN       VAL 103 -24.747  12.850   5.201
  804    HA   VAL 103           HA       VAL 103 -23.404  12.596   7.814
  805    HB   VAL 103           HB       VAL 103 -21.260  12.963   6.606
  806   HG11  VAL 103          HG11      VAL 103 -22.860  10.547   5.777
  807   HG12  VAL 103          HG12      VAL 103 -21.879  10.720   7.235
  808   HG13  VAL 103          HG13      VAL 103 -21.105  10.692   5.647
  809   HG21  VAL 103          HG21      VAL 103 -21.953  14.048   4.612
  810   HG22  VAL 103          HG22      VAL 103 -23.030  12.718   4.181
  811   HG23  VAL 103          HG23      VAL 103 -21.283  12.488   4.136
  812    H    ASP 104           HN       ASP 104 -25.210  14.667   6.181
  813    HA   ASP 104           HA       ASP 104 -23.620  17.000   7.009
  814    HB2  ASP 104           HB2      ASP 104 -24.625  18.283   5.193
  815    HB3  ASP 104           HB1      ASP 104 -23.803  16.866   4.552
  816    HHB  HEM 400           HB       HEM 400  11.031   4.917  -1.607
  817    HHC  HEM 400           HC       HEM 400   4.758   5.171  -2.374
  818    HHD  HEM 400           HD       HEM 400   5.281  11.019  -4.711
  819    HMA  HEM 400          HMA1      HEM 400  12.982   5.755  -1.068
  820   HMAA  HEM 400          HMA2      HEM 400  14.163   6.905  -1.639
  821   HMAB  HEM 400          HMA3      HEM 400  13.719   5.585  -2.695
  822    HAA  HEM 400          HAA1      HEM 400  14.020   9.499  -2.384
  823   HAAA  HEM 400          HAA2      HEM 400  13.459   9.923  -3.991
  824    HBA  HEM 400          HBA1      HEM 400  14.356   7.277  -4.231
  825   HBAA  HEM 400          HBA2      HEM 400  15.557   8.084  -3.220
  826    HMB  HEM 400          HMB1      HEM 400   9.441   2.222  -1.565
  827   HMBA  HEM 400          HMB2      HEM 400   8.703   2.597   0.000
  828   HMBB  HEM 400          HMB3      HEM 400  10.207   3.376  -0.489
  829    HAB  HEM 400           HAB      HEM 400   6.397   2.113  -1.420
  830    HBB  HEM 400          HBB1      HEM 400   4.606   4.471  -0.418
  831   HBBA  HEM 400          HBB2      HEM 400   4.248   2.584  -0.373
  832    HMC  HEM 400          HMC1      HEM 400   1.858   7.410  -3.100
  833   HMCA  HEM 400          HMC2      HEM 400   2.781   6.106  -2.352
  834   HMCB  HEM 400          HMC3      HEM 400   2.516   6.128  -4.098
  835    HAC  HEM 400           HAC      HEM 400   3.038  10.171  -5.175
  836    HBC  HEM 400          HBC1      HEM 400   1.692   9.354  -2.473
  837   HBCA  HEM 400          HBC2      HEM 400   1.047  10.559  -3.824
  838    HMD  HEM 400          HMD1      HEM 400   7.226  13.866  -4.750
  839   HMDA  HEM 400          HMD2      HEM 400   6.002  12.762  -5.386
  840   HMDB  HEM 400          HMD3      HEM 400   7.369  13.251  -6.387
  841    HAD  HEM 400          HAD1      HEM 400   9.636  13.760  -5.268
  842   HADA  HEM 400          HAD2      HEM 400  10.820  12.978  -4.234
  843    HBD  HEM 400          HBD1      HEM 400  10.588  12.967  -7.183
  844   HBDA  HEM 400          HBD2      HEM 400  11.085  11.448  -6.436
  845    HHA  HEM 400           HA       HEM 400  11.580  10.672  -4.189
  Start of MODEL   10
    1    H1   MET   1           HT1      MET   1  21.318 -13.813  15.863
    2    H2   MET   1           HT2      MET   1  22.582 -13.728  16.981
    3    H3   MET   1           HT3      MET   1  22.129 -12.349  16.117
    4    HA   MET   1           HA       MET   1  20.549 -13.772  18.176
    5    HB2  MET   1           HB2      MET   1  21.916 -11.087  18.071
    6    HB3  MET   1           HB1      MET   1  20.631 -11.427  19.221
    7    HG2  MET   1           HG2      MET   1  23.299 -12.790  19.006
    8    HG3  MET   1           HG1      MET   1  22.724 -11.747  20.307
    9    HE1  MET   1           HE1      MET   1  23.993 -14.431  21.181
   10    HE2  MET   1           HE2      MET   1  22.772 -15.014  22.316
   11    HE3  MET   1           HE3      MET   1  23.181 -13.300  22.263
   12    H    ALA   2           HN       ALA   2  20.559 -10.713  16.333
   13    HA   ALA   2           HA       ALA   2  17.638 -11.001  16.074
   14    HB1  ALA   2           HB1      ALA   2  18.367  -9.065  17.413
   15    HB2  ALA   2           HB2      ALA   2  17.514  -8.581  15.946
   16    HB3  ALA   2           HB3      ALA   2  19.271  -8.465  16.022
   17    H    ALA   3           HN       ALA   3  19.088 -12.399  14.261
   18    HA   ALA   3           HA       ALA   3  18.961 -10.729  11.834
   19    HB1  ALA   3           HB1      ALA   3  21.239 -11.540  12.397
   20    HB2  ALA   3           HB2      ALA   3  20.653 -12.110  10.833
   21    HB3  ALA   3           HB3      ALA   3  20.652 -13.194  12.225
   22    H    GLN   4           HN       GLN   4  17.263 -11.173  10.626
   23    HA   GLN   4           HA       GLN   4  16.602 -13.864   9.915
   24    HB2  GLN   4           HB2      GLN   4  14.144 -13.536  10.625
   25    HB3  GLN   4           HB1      GLN   4  15.311 -14.020  11.846
   26    HG2  GLN   4           HG2      GLN   4  15.416 -11.786  12.712
   27    HG3  GLN   4           HG1      GLN   4  14.399 -11.185  11.402
   28   HE21  GLN   4          HE21      GLN   4  12.193 -11.647  11.422
   29   HE22  GLN   4          HE22      GLN   4  11.381 -12.210  12.839
   30    H    SER   5           HN       SER   5  16.723 -13.428   7.809
   31    HA   SER   5           HA       SER   5  15.138 -11.195   6.753
   32    HB2  SER   5           HB2      SER   5  17.266 -12.752   5.273
   33    HB3  SER   5           HB1      SER   5  16.591 -11.173   4.862
   34    HG   SER   5           HG       SER   5  17.731 -10.245   6.464
   35    H    ASP   6           HN       ASP   6  13.129 -11.989   6.397
   36    HA   ASP   6           HA       ASP   6  12.928 -14.340   4.630
   37    HB2  ASP   6           HB2      ASP   6  12.283 -14.968   6.936
   38    HB3  ASP   6           HB1      ASP   6  11.069 -13.694   6.934
   39    H    LYS   7           HN       LYS   7  11.045 -14.356   3.262
   40    HA   LYS   7           HA       LYS   7   9.637 -11.805   3.026
   41    HB2  LYS   7           HB2      LYS   7  11.242 -13.115   0.836
   42    HB3  LYS   7           HB1      LYS   7   9.964 -11.957   0.497
   43    HG2  LYS   7           HG2      LYS   7  12.278 -11.323   2.306
   44    HG3  LYS   7           HG1      LYS   7  12.333 -11.067   0.559
   45    HD2  LYS   7           HD2      LYS   7  10.798  -9.358   0.629
   46    HD3  LYS   7           HD1      LYS   7  10.027  -9.962   2.095
   47    HE2  LYS   7           HE2      LYS   7  12.841  -9.016   2.255
   48    HE3  LYS   7           HE1      LYS   7  11.557  -7.816   2.128
   49    HZ1  LYS   7           HZ1      LYS   7  11.598  -9.964   4.178
   50    HZ2  LYS   7           HZ2      LYS   7  10.562  -8.627   4.107
   51    HZ3  LYS   7           HZ3      LYS   7  12.203  -8.403   4.441
   52    H    ASP   8           HN       ASP   8   7.684 -12.572   3.527
   53    HA   ASP   8           HA       ASP   8   6.597 -14.703   1.807
   54    HB2  ASP   8           HB2      ASP   8   6.816 -15.475   4.144
   55    HB3  ASP   8           HB1      ASP   8   5.839 -14.110   4.678
   56    H    VAL   9           HN       VAL   9   4.781 -14.216   0.707
   57    HA   VAL   9           HA       VAL   9   3.673 -11.532   1.102
   58    HB   VAL   9           HB       VAL   9   4.462 -11.818  -1.126
   59   HG11  VAL   9          HG11      VAL   9   2.838 -14.350  -1.266
   60   HG12  VAL   9          HG12      VAL   9   4.595 -14.237  -1.201
   61   HG13  VAL   9          HG13      VAL   9   3.724 -13.624  -2.605
   62   HG21  VAL   9          HG21      VAL   9   2.454 -10.590  -1.134
   63   HG22  VAL   9          HG22      VAL   9   1.472 -12.044  -0.952
   64   HG23  VAL   9          HG23      VAL   9   2.320 -11.735  -2.467
   65    H    LYS  10           HN       LYS  10   1.904 -11.427   2.282
   66    HA   LYS  10           HA       LYS  10   0.050 -13.702   2.309
   67    HB2  LYS  10           HB2      LYS  10   0.887 -12.942   4.492
   68    HB3  LYS  10           HB1      LYS  10   0.259 -11.329   4.177
   69    HG2  LYS  10           HG2      LYS  10  -1.967 -12.041   4.360
   70    HG3  LYS  10           HG1      LYS  10  -1.518 -13.740   4.213
   71    HD2  LYS  10           HD2      LYS  10  -0.464 -12.118   6.489
   72    HD3  LYS  10           HD1      LYS  10  -2.112 -12.744   6.551
   73    HE2  LYS  10           HE2      LYS  10   0.327 -14.436   6.033
   74    HE3  LYS  10           HE1      LYS  10  -0.407 -14.219   7.620
   75    HZ1  LYS  10           HZ1      LYS  10  -1.781 -15.357   5.248
   76    HZ2  LYS  10           HZ2      LYS  10  -2.436 -15.203   6.796
   77    HZ3  LYS  10           HZ3      LYS  10  -1.144 -16.257   6.528
   78    H    TYR  11           HN       TYR  11  -1.795 -13.576   1.225
   79    HA   TYR  11           HA       TYR  11  -2.472 -11.102  -0.095
   80    HB2  TYR  11           HB2      TYR  11  -3.463 -13.925  -0.281
   81    HB3  TYR  11           HB1      TYR  11  -4.375 -12.610  -1.018
   82    HD1  TYR  11           HD2      TYR  11  -0.930 -14.033  -0.903
   83    HD2  TYR  11           HD1      TYR  11  -3.852 -11.928  -3.173
   84    HE1  TYR  11           HE2      TYR  11   0.561 -14.082  -2.854
   85    HE2  TYR  11           HE1      TYR  11  -2.365 -11.973  -5.132
   86    HH   TYR  11           HH       TYR  11   0.190 -12.144  -5.505
   87    H    TYR  12           HN       TYR  12  -3.266  -9.675   1.363
   88    HA   TYR  12           HA       TYR  12  -5.390 -10.429   3.192
   89    HB2  TYR  12           HB2      TYR  12  -4.206  -7.702   2.628
   90    HB3  TYR  12           HB1      TYR  12  -5.287  -8.104   3.953
   91    HD1  TYR  12           HD2      TYR  12  -4.461  -9.500   5.830
   92    HD2  TYR  12           HD1      TYR  12  -1.863  -8.128   2.752
   93    HE1  TYR  12           HE2      TYR  12  -2.524  -9.942   7.276
   94    HE2  TYR  12           HE1      TYR  12   0.081  -8.560   4.193
   95    HH   TYR  12           HH       TYR  12  -0.170 -10.324   7.135
   96    H    THR  13           HN       THR  13  -7.436  -9.196   3.239
   97    HA   THR  13           HA       THR  13  -8.533  -8.913   0.579
   98    HB   THR  13           HB       THR  13 -10.321  -8.093   2.708
   99    HG1  THR  13           HG1      THR  13 -10.298 -10.036   3.873
  100   HG21  THR  13          HG21      THR  13 -11.644  -9.995   1.824
  101   HG22  THR  13          HG22      THR  13 -10.275 -10.434   0.805
  102   HG23  THR  13          HG23      THR  13 -11.095  -8.893   0.560
  103    H    LEU  14           HN       LEU  14  -9.470  -7.009  -0.252
  104    HA   LEU  14           HA       LEU  14  -8.050  -4.644   0.220
  105    HB2  LEU  14           HB2      LEU  14 -10.540  -5.316  -1.288
  106    HB3  LEU  14           HB1      LEU  14 -10.100  -3.634  -1.065
  107    HG   LEU  14           HG       LEU  14  -7.867  -4.188  -2.114
  108   HD11  LEU  14          HD11      LEU  14  -7.817  -6.210  -3.533
  109   HD12  LEU  14          HD12      LEU  14  -9.310  -6.749  -2.766
  110   HD13  LEU  14          HD13      LEU  14  -7.841  -6.572  -1.806
  111   HD21  LEU  14          HD21      LEU  14  -8.765  -4.174  -4.401
  112   HD22  LEU  14          HD22      LEU  14  -9.595  -3.027  -3.349
  113   HD23  LEU  14          HD23      LEU  14 -10.364  -4.560  -3.761
  114    H    GLU  15           HN       GLU  15 -11.264  -5.664   1.229
  115    HA   GLU  15           HA       GLU  15 -11.987  -3.272   2.531
  116    HB2  GLU  15           HB2      GLU  15 -13.616  -4.878   3.758
  117    HB3  GLU  15           HB1      GLU  15 -13.792  -4.646   2.026
  118    HG2  GLU  15           HG2      GLU  15 -12.074  -6.880   2.937
  119    HG3  GLU  15           HG1      GLU  15 -13.814  -7.044   3.162
  120    H    GLU  16           HN       GLU  16  -9.798  -5.734   3.451
  121    HA   GLU  16           HA       GLU  16 -10.047  -5.103   6.291
  122    HB2  GLU  16           HB2      GLU  16  -9.803  -7.475   5.504
  123    HB3  GLU  16           HB1      GLU  16  -8.170  -7.075   4.990
  124    HG2  GLU  16           HG2      GLU  16  -7.559  -6.534   7.275
  125    HG3  GLU  16           HG1      GLU  16  -9.204  -6.872   7.808
  126    H    ILE  17           HN       ILE  17  -7.734  -4.787   3.628
  127    HA   ILE  17           HA       ILE  17  -5.649  -3.722   5.252
  128    HB   ILE  17           HB       ILE  17  -4.601  -2.998   3.126
  129   HG12  ILE  17          HG12      ILE  17  -7.120  -4.135   1.896
  130   HG13  ILE  17          HG11      ILE  17  -6.573  -2.465   1.814
  131   HG21  ILE  17          HG21      ILE  17  -4.180  -5.241   2.277
  132   HG22  ILE  17          HG22      ILE  17  -5.601  -5.843   3.134
  133   HG23  ILE  17          HG23      ILE  17  -4.217  -5.228   4.041
  134   HD11  ILE  17          HD11      ILE  17  -6.127  -3.559  -0.273
  135   HD12  ILE  17          HD12      ILE  17  -5.256  -4.853   0.548
  136   HD13  ILE  17          HD13      ILE  17  -4.599  -3.217   0.539
  137    H    LYS  18           HN       LYS  18  -8.268  -2.297   3.380
  138    HA   LYS  18           HA       LYS  18  -7.394   0.403   3.696
  139    HB2  LYS  18           HB2      LYS  18  -9.482   1.023   2.727
  140    HB3  LYS  18           HB1      LYS  18  -8.961  -0.441   1.908
  141    HG2  LYS  18           HG2      LYS  18 -10.875  -1.427   2.420
  142    HG3  LYS  18           HG1      LYS  18 -10.552  -1.198   4.138
  143    HD2  LYS  18           HD2      LYS  18 -12.592  -0.118   3.818
  144    HD3  LYS  18           HD1      LYS  18 -11.415   1.196   3.768
  145    HE2  LYS  18           HE2      LYS  18 -11.435   1.060   1.295
  146    HE3  LYS  18           HE1      LYS  18 -12.689  -0.171   1.402
  147    HZ1  LYS  18           HZ1      LYS  18 -12.874   2.680   2.171
  148    HZ2  LYS  18           HZ2      LYS  18 -14.014   1.537   2.665
  149    HZ3  LYS  18           HZ3      LYS  18 -13.788   1.846   1.019
  150    H    LYS  19           HN       LYS  19  -8.585  -1.806   5.858
  151    HA   LYS  19           HA       LYS  19  -9.833   0.242   7.554
  152    HB2  LYS  19           HB2      LYS  19 -10.685  -2.303   6.873
  153    HB3  LYS  19           HB1      LYS  19 -10.007  -2.519   8.481
  154    HG2  LYS  19           HG2      LYS  19 -12.224  -2.045   8.908
  155    HG3  LYS  19           HG1      LYS  19 -11.443  -0.479   9.117
  156    HD2  LYS  19           HD2      LYS  19 -13.320   0.024   7.830
  157    HD3  LYS  19           HD1      LYS  19 -12.031  -0.103   6.632
  158    HE2  LYS  19           HE2      LYS  19 -13.992  -1.268   5.837
  159    HE3  LYS  19           HE1      LYS  19 -12.711  -2.430   6.180
  160    HZ1  LYS  19           HZ1      LYS  19 -14.533  -3.408   7.144
  161    HZ2  LYS  19           HZ2      LYS  19 -15.215  -1.946   7.643
  162    HZ3  LYS  19           HZ3      LYS  19 -13.884  -2.582   8.467
  163    H    HIS  20           HN       HIS  20  -6.872  -0.845   7.057
  164    HA   HIS  20           HA       HIS  20  -6.239  -1.032   9.932
  165    HB2  HIS  20           HB2      HIS  20  -5.198  -2.508   7.582
  166    HB3  HIS  20           HB1      HIS  20  -4.025  -2.063   8.816
  167    HD1  HIS  20           HD1      HIS  20  -6.879  -4.352   8.145
  168    HD2  HIS  20           HD2      HIS  20  -4.387  -3.327  11.316
  169    HE1  HIS  20           HE1      HIS  20  -7.198  -6.152   9.871
  170    HE2  HIS  20           HE2      HIS  20  -5.576  -5.589  11.718
  171    H    ASN  21           HN       ASN  21  -6.223   1.134   7.556
  172    HA   ASN  21           HA       ASN  21  -3.556   2.118   7.593
  173    HB2  ASN  21           HB2      ASN  21  -4.838   4.310   6.832
  174    HB3  ASN  21           HB1      ASN  21  -4.620   2.947   5.743
  175   HD21  ASN  21          HD21      ASN  21  -6.406   3.644   4.536
  176   HD22  ASN  21          HD22      ASN  21  -8.025   3.362   5.089
  177    H    HIS  22           HN       HIS  22  -2.680   2.595   9.498
  178    HA   HIS  22           HA       HIS  22  -3.922   4.731  11.075
  179    HB2  HIS  22           HB2      HIS  22  -2.915   2.113  12.228
  180    HB3  HIS  22           HB1      HIS  22  -3.326   3.531  13.188
  181    HD1  HIS  22           HD1      HIS  22  -5.976   4.371  12.526
  182    HD2  HIS  22           HD2      HIS  22  -4.945   0.359  12.206
  183    HE1  HIS  22           HE1      HIS  22  -8.148   3.111  12.598
  184    HE2  HIS  22           HE2      HIS  22  -7.476   0.680  12.636
  185    H    SER  23           HN       SER  23  -2.229   5.416  12.849
  186    HA   SER  23           HA       SER  23   0.084   6.287  11.495
  187    HB2  SER  23           HB2      SER  23   0.254   6.338  14.417
  188    HB3  SER  23           HB1      SER  23   0.274   7.672  13.263
  189    HG   SER  23           HG       SER  23  -1.684   8.044  13.912
  190    H    LYS  24           HN       LYS  24  -0.581   3.357  13.086
  191    HA   LYS  24           HA       LYS  24   2.286   2.764  13.338
  192    HB2  LYS  24           HB2      LYS  24   1.543   0.909  14.870
  193    HB3  LYS  24           HB1      LYS  24   1.254   2.535  15.472
  194    HG2  LYS  24           HG2      LYS  24  -1.112   2.280  14.558
  195    HG3  LYS  24           HG1      LYS  24  -0.741   0.560  14.410
  196    HD2  LYS  24           HD2      LYS  24  -0.244   0.449  16.793
  197    HD3  LYS  24           HD1      LYS  24  -0.544   2.179  16.948
  198    HE2  LYS  24           HE2      LYS  24  -2.874   1.695  16.053
  199    HE3  LYS  24           HE1      LYS  24  -2.513  -0.007  16.340
  200    HZ1  LYS  24           HZ1      LYS  24  -3.689   1.009  18.205
  201    HZ2  LYS  24           HZ2      LYS  24  -2.439   2.130  18.403
  202    HZ3  LYS  24           HZ3      LYS  24  -2.147   0.484  18.667
  203    H    SER  25           HN       SER  25   0.117   2.512  11.097
  204    HA   SER  25           HA       SER  25   1.246   0.187   9.886
  205    HB2  SER  25           HB2      SER  25  -1.695   0.108  10.635
  206    HB3  SER  25           HB1      SER  25  -0.895  -1.035   9.552
  207    HG   SER  25           HG       SER  25   0.487  -0.870  11.840
  208    H    THR  26           HN       THR  26   1.769   1.464   8.138
  209    HA   THR  26           HA       THR  26  -0.467   2.837   6.807
  210    HB   THR  26           HB       THR  26   2.411   3.400   6.155
  211    HG1  THR  26           HG1      THR  26   1.514   3.679   8.560
  212   HG21  THR  26          HG21      THR  26   1.457   5.627   5.601
  213   HG22  THR  26          HG22      THR  26  -0.141   5.022   6.032
  214   HG23  THR  26          HG23      THR  26   0.724   4.327   4.661
  215    H    TRP  27           HN       TRP  27  -1.200   0.990   5.765
  216    HA   TRP  27           HA       TRP  27   0.576  -0.433   3.973
  217    HB2  TRP  27           HB2      TRP  27  -2.377  -0.795   4.534
  218    HB3  TRP  27           HB1      TRP  27  -1.400  -1.855   3.522
  219    HD1  TRP  27           HD1      TRP  27   0.844  -1.068   6.204
  220    HE1  TRP  27           HE1      TRP  27   0.800  -2.813   8.078
  221    HE3  TRP  27           HE3      TRP  27  -3.497  -3.457   4.954
  222    HZ2  TRP  27           HZ2      TRP  27  -0.871  -4.938   8.922
  223    HZ3  TRP  27           HZ3      TRP  27  -4.248  -5.343   6.348
  224    HH2  TRP  27           HH2      TRP  27  -2.960  -6.067   8.289
  225    H    LEU  28           HN       LEU  28   1.045   0.512   2.129
  226    HA   LEU  28           HA       LEU  28  -1.040   2.047   0.724
  227    HB2  LEU  28           HB2      LEU  28   1.641   2.607   1.294
  228    HB3  LEU  28           HB1      LEU  28   1.622   2.212  -0.412
  229    HG   LEU  28           HG       LEU  28  -0.294   4.228   0.723
  230   HD11  LEU  28          HD11      LEU  28   1.918   4.954   1.414
  231   HD12  LEU  28          HD12      LEU  28   1.313   5.979   0.113
  232   HD13  LEU  28          HD13      LEU  28   2.520   4.741  -0.229
  233   HD21  LEU  28          HD21      LEU  28  -0.047   5.111  -1.625
  234   HD22  LEU  28          HD22      LEU  28  -0.840   3.543  -1.476
  235   HD23  LEU  28          HD23      LEU  28   0.841   3.636  -1.999
  236    H    ILE  29           HN       ILE  29  -1.634   1.503  -1.358
  237    HA   ILE  29           HA       ILE  29  -0.698  -1.121  -2.260
  238    HB   ILE  29           HB       ILE  29  -3.128   0.465  -3.096
  239   HG12  ILE  29          HG12      ILE  29  -2.972  -2.118  -1.539
  240   HG13  ILE  29          HG11      ILE  29  -3.139  -0.535  -0.785
  241   HG21  ILE  29          HG21      ILE  29  -3.792  -1.564  -4.309
  242   HG22  ILE  29          HG22      ILE  29  -2.244  -2.303  -3.897
  243   HG23  ILE  29          HG23      ILE  29  -2.293  -0.881  -4.937
  244   HD11  ILE  29          HD11      ILE  29  -5.091  -1.865  -2.650
  245   HD12  ILE  29          HD12      ILE  29  -5.253  -0.222  -2.029
  246   HD13  ILE  29          HD13      ILE  29  -5.287  -1.593  -0.918
  247    H    LEU  30           HN       LEU  30   0.863  -1.115  -3.683
  248    HA   LEU  30           HA       LEU  30   0.811   0.868  -5.856
  249    HB2  LEU  30           HB2      LEU  30   3.276  -0.178  -4.453
  250    HB3  LEU  30           HB1      LEU  30   3.267   0.915  -5.824
  251    HG   LEU  30           HG       LEU  30   2.028   1.611  -3.165
  252   HD11  LEU  30          HD11      LEU  30   4.044   2.923  -2.732
  253   HD12  LEU  30          HD12      LEU  30   4.786   2.268  -4.192
  254   HD13  LEU  30          HD13      LEU  30   4.403   1.201  -2.840
  255   HD21  LEU  30          HD21      LEU  30   2.927   3.359  -5.448
  256   HD22  LEU  30          HD22      LEU  30   2.076   3.862  -3.986
  257   HD23  LEU  30          HD23      LEU  30   1.260   2.848  -5.177
  258    H    HIS  31           HN       HIS  31   0.641  -0.102  -7.768
  259    HA   HIS  31           HA       HIS  31   0.777  -1.639  -9.442
  260    HB2  HIS  31           HB2      HIS  31   3.126  -2.484  -7.769
  261    HB3  HIS  31           HB1      HIS  31   2.619  -3.479  -9.128
  262    HD1  HIS  31           HD1      HIS  31   4.228  -3.038 -10.954
  263    HD2  HIS  31           HD2      HIS  31   3.103   0.458  -9.000
  264    HE1  HIS  31           HE1      HIS  31   5.337  -1.168 -12.214
  265    HE2  HIS  31           HE2      HIS  31   4.490   0.949 -11.134
  266    H    HIS  32           HN       HIS  32  -0.979  -1.941  -7.206
  267    HA   HIS  32           HA       HIS  32  -2.578  -3.348  -6.448
  268    HB2  HIS  32           HB2      HIS  32  -1.498  -5.026  -8.699
  269    HB3  HIS  32           HB1      HIS  32  -2.746  -5.647  -7.626
  270    HD1  HIS  32           HD1      HIS  32  -3.144  -5.039 -10.715
  271    HD2  HIS  32           HD2      HIS  32  -4.297  -2.576  -7.570
  272    HE1  HIS  32           HE1      HIS  32  -4.992  -3.594 -11.625
  273    HE2  HIS  32           HE2      HIS  32  -5.812  -2.277  -9.637
  274    H    LYS  33           HN       LYS  33   0.123  -3.277  -5.324
  275    HA   LYS  33           HA       LYS  33   0.034  -5.831  -3.866
  276    HB2  LYS  33           HB2      LYS  33   2.593  -4.300  -4.216
  277    HB3  LYS  33           HB1      LYS  33   2.371  -5.996  -3.815
  278    HG2  LYS  33           HG2      LYS  33   1.368  -6.185  -6.188
  279    HG3  LYS  33           HG1      LYS  33   2.179  -4.646  -6.475
  280    HD2  LYS  33           HD2      LYS  33   4.298  -5.729  -5.668
  281    HD3  LYS  33           HD1      LYS  33   3.432  -7.268  -5.679
  282    HE2  LYS  33           HE2      LYS  33   4.118  -5.485  -7.995
  283    HE3  LYS  33           HE1      LYS  33   4.559  -7.172  -7.741
  284    HZ1  LYS  33           HZ1      LYS  33   2.105  -7.659  -7.887
  285    HZ2  LYS  33           HZ2      LYS  33   2.854  -7.174  -9.331
  286    HZ3  LYS  33           HZ3      LYS  33   1.907  -6.071  -8.463
  287    H    VAL  34           HN       VAL  34   0.710  -5.678  -1.614
  288    HA   VAL  34           HA       VAL  34   0.039  -3.042  -0.505
  289    HB   VAL  34           HB       VAL  34   0.154  -5.645   1.013
  290   HG11  VAL  34          HG11      VAL  34  -1.212  -4.518   2.630
  291   HG12  VAL  34          HG12      VAL  34  -1.369  -3.108   1.582
  292   HG13  VAL  34          HG13      VAL  34   0.195  -3.511   2.289
  293   HG21  VAL  34          HG21      VAL  34  -1.430  -5.868  -0.852
  294   HG22  VAL  34          HG22      VAL  34  -2.261  -4.408  -0.313
  295   HG23  VAL  34          HG23      VAL  34  -2.251  -5.847   0.709
  296    H    TYR  35           HN       TYR  35   1.561  -1.826   0.353
  297    HA   TYR  35           HA       TYR  35   4.008  -3.102   1.400
  298    HB2  TYR  35           HB2      TYR  35   3.804  -0.408   0.031
  299    HB3  TYR  35           HB1      TYR  35   5.270  -1.130   0.676
  300    HD1  TYR  35           HD1      TYR  35   2.783  -1.272  -2.021
  301    HD2  TYR  35           HD2      TYR  35   6.455  -2.841  -0.544
  302    HE1  TYR  35           HE1      TYR  35   3.221  -2.302  -4.206
  303    HE2  TYR  35           HE2      TYR  35   6.896  -3.876  -2.731
  304    HH   TYR  35           HH       TYR  35   5.070  -3.114  -5.518
  305    H    ASP  36           HN       ASP  36   4.562  -2.558   3.446
  306    HA   ASP  36           HA       ASP  36   2.952  -0.477   4.771
  307    HB2  ASP  36           HB2      ASP  36   2.958  -2.815   5.727
  308    HB3  ASP  36           HB1      ASP  36   4.660  -2.586   6.105
  309    H    LEU  37           HN       LEU  37   3.920   1.413   4.773
  310    HA   LEU  37           HA       LEU  37   6.814   1.500   5.307
  311    HB2  LEU  37           HB2      LEU  37   6.930   3.552   3.987
  312    HB3  LEU  37           HB1      LEU  37   6.355   2.208   3.026
  313    HG   LEU  37           HG       LEU  37   4.320   3.997   4.261
  314   HD11  LEU  37          HD11      LEU  37   5.925   4.730   1.815
  315   HD12  LEU  37          HD12      LEU  37   5.962   5.567   3.365
  316   HD13  LEU  37          HD13      LEU  37   4.489   5.568   2.399
  317   HD21  LEU  37          HD21      LEU  37   3.990   1.870   2.788
  318   HD22  LEU  37          HD22      LEU  37   4.351   2.973   1.456
  319   HD23  LEU  37          HD23      LEU  37   2.986   3.295   2.526
  320    H    THR  38           HN       THR  38   4.694   1.468   7.256
  321    HA   THR  38           HA       THR  38   3.997   3.999   8.195
  322    HB   THR  38           HB       THR  38   3.255   1.576   8.924
  323    HG1  THR  38           HG1      THR  38   3.280   3.973  10.423
  324   HG21  THR  38          HG21      THR  38   5.280   2.289  11.045
  325   HG22  THR  38          HG22      THR  38   5.348   0.901   9.959
  326   HG23  THR  38          HG23      THR  38   4.075   1.010  11.174
  327    H    LYS  39           HN       LYS  39   7.055   2.430   8.291
  328    HA   LYS  39           HA       LYS  39   8.012   4.350  10.304
  329    HB2  LYS  39           HB2      LYS  39   9.080   1.679   9.411
  330    HB3  LYS  39           HB1      LYS  39  10.060   2.812  10.328
  331    HG2  LYS  39           HG2      LYS  39   7.403   1.754  11.267
  332    HG3  LYS  39           HG1      LYS  39   8.962   1.048  11.697
  333    HD2  LYS  39           HD2      LYS  39   9.639   3.085  12.787
  334    HD3  LYS  39           HD1      LYS  39   8.183   3.913  12.236
  335    HE2  LYS  39           HE2      LYS  39   6.823   2.331  13.563
  336    HE3  LYS  39           HE1      LYS  39   8.310   1.593  14.162
  337    HZ1  LYS  39           HZ1      LYS  39   8.915   3.819  15.047
  338    HZ2  LYS  39           HZ2      LYS  39   7.554   3.140  15.776
  339    HZ3  LYS  39           HZ3      LYS  39   7.371   4.369  14.626
  340    H    PHE  40           HN       PHE  40   7.708   4.219   7.100
  341    HA   PHE  40           HA       PHE  40  10.345   5.435   6.577
  342    HB2  PHE  40           HB2      PHE  40   9.564   3.334   5.273
  343    HB3  PHE  40           HB1      PHE  40   8.494   4.443   4.426
  344    HD1  PHE  40           HD1      PHE  40  12.065   3.815   5.223
  345    HD2  PHE  40           HD2      PHE  40   9.273   5.719   2.634
  346    HE1  PHE  40           HE1      PHE  40  13.894   4.402   3.686
  347    HE2  PHE  40           HE2      PHE  40  11.099   6.309   1.093
  348    HZ   PHE  40           HZ       PHE  40  13.413   5.649   1.617
  349    H    LEU  41           HN       LEU  41   7.213   6.201   7.180
  350    HA   LEU  41           HA       LEU  41   6.458   8.091   5.293
  351    HB2  LEU  41           HB2      LEU  41   5.966   8.220   8.271
  352    HB3  LEU  41           HB1      LEU  41   5.054   9.064   7.036
  353    HG   LEU  41           HG       LEU  41   5.177   6.059   7.287
  354   HD11  LEU  41          HD11      LEU  41   4.085   7.000   9.230
  355   HD12  LEU  41          HD12      LEU  41   2.893   6.249   8.169
  356   HD13  LEU  41          HD13      LEU  41   3.067   8.004   8.199
  357   HD21  LEU  41          HD21      LEU  41   3.290   7.800   5.711
  358   HD22  LEU  41          HD22      LEU  41   3.383   6.039   5.706
  359   HD23  LEU  41          HD23      LEU  41   4.700   6.992   5.026
  360    H    GLU  42           HN       GLU  42   8.575   8.437   8.080
  361    HA   GLU  42           HA       GLU  42   8.977  11.266   7.505
  362    HB2  GLU  42           HB2      GLU  42  10.352  11.198   9.602
  363    HB3  GLU  42           HB1      GLU  42   8.660  10.772   9.815
  364    HG2  GLU  42           HG2      GLU  42   9.330   8.375   9.711
  365    HG3  GLU  42           HG1      GLU  42  11.011   8.906   9.717
  366    H    GLU  43           HN       GLU  43  10.176   8.510   6.302
  367    HA   GLU  43           HA       GLU  43  12.939   9.511   6.103
  368    HB2  GLU  43           HB2      GLU  43  11.932   6.754   5.389
  369    HB3  GLU  43           HB1      GLU  43  13.607   7.274   5.502
  370    HG2  GLU  43           HG2      GLU  43  11.709   7.210   7.828
  371    HG3  GLU  43           HG1      GLU  43  12.801   5.893   7.410
  372    H    HIS  44           HN       HIS  44  10.075   9.530   4.534
  373    HA   HIS  44           HA       HIS  44  10.967   9.025   1.852
  374    HB2  HIS  44           HB2      HIS  44   8.598   8.696   2.740
  375    HB3  HIS  44           HB1      HIS  44   8.440  10.449   2.703
  376    HD1  HIS  44           HD1      HIS  44   7.296  11.235   0.641
  377    HD2  HIS  44           HD2      HIS  44   9.483   7.753  -0.012
  378    HE1  HIS  44           HE1      HIS  44   6.970  10.636  -1.796
  379    HA   PRO  45           HA       PRO  45  12.675  13.128   1.362
  380    HB2  PRO  45           HB2      PRO  45  13.356  12.933  -1.239
  381    HB3  PRO  45           HB1      PRO  45  14.250  12.074   0.026
  382    HG2  PRO  45           HG2      PRO  45  12.125  11.033  -1.798
  383    HG3  PRO  45           HG1      PRO  45  13.676  10.294  -1.350
  384    HD2  PRO  45           HD2      PRO  45  11.344   9.569  -0.189
  385    HD3  PRO  45           HD1      PRO  45  12.893   9.547   0.682
  386    H    GLY  46           HN       GLY  46  10.347  13.812   1.682
  387    HA2  GLY  46           HA2      GLY  46   9.581  15.758  -0.067
  388    HA3  GLY  46           HA1      GLY  46   8.742  14.320  -0.639
  389    H    GLY  47           HN       GLY  47   6.711  14.361   0.014
  390    HA2  GLY  47           HA2      GLY  47   6.077  15.539   2.618
  391    HA3  GLY  47           HA1      GLY  47   4.928  15.195   1.333
  392    H    GLU  48           HN       GLU  48   4.645  14.481   4.067
  393    HA   GLU  48           HA       GLU  48   4.874  11.553   3.938
  394    HB2  GLU  48           HB2      GLU  48   4.459  11.695   6.443
  395    HB3  GLU  48           HB1      GLU  48   6.006  12.302   5.874
  396    HG2  GLU  48           HG2      GLU  48   5.081  14.598   5.949
  397    HG3  GLU  48           HG1      GLU  48   3.600  13.937   6.643
  398    H    GLU  49           HN       GLU  49   2.696  14.243   4.284
  399    HA   GLU  49           HA       GLU  49   0.413  12.797   5.113
  400    HB2  GLU  49           HB2      GLU  49   0.761  15.325   5.152
  401    HB3  GLU  49           HB1      GLU  49   0.371  15.299   3.439
  402    HG2  GLU  49           HG2      GLU  49  -1.787  14.155   4.079
  403    HG3  GLU  49           HG1      GLU  49  -1.393  14.564   5.749
  404    H    VAL  50           HN       VAL  50   1.880  13.472   2.020
  405    HA   VAL  50           HA       VAL  50  -0.248  12.646   0.364
  406    HB   VAL  50           HB       VAL  50   1.408  12.427  -1.422
  407   HG11  VAL  50          HG11      VAL  50   2.203  14.720  -1.431
  408   HG12  VAL  50          HG12      VAL  50   1.905  14.851   0.300
  409   HG13  VAL  50          HG13      VAL  50   0.555  14.642  -0.812
  410   HG21  VAL  50          HG21      VAL  50   3.783  12.851  -0.989
  411   HG22  VAL  50          HG22      VAL  50   3.221  11.394  -0.170
  412   HG23  VAL  50          HG23      VAL  50   3.461  12.883   0.745
  413    H    LEU  51           HN       LEU  51   1.883  10.872   2.343
  414    HA   LEU  51           HA       LEU  51   1.576   8.404   0.832
  415    HB2  LEU  51           HB2      LEU  51   2.895   8.826   3.512
  416    HB3  LEU  51           HB1      LEU  51   3.038   7.413   2.485
  417    HG   LEU  51           HG       LEU  51   4.042  10.155   1.717
  418   HD11  LEU  51          HD11      LEU  51   5.571   7.816   2.844
  419   HD12  LEU  51          HD12      LEU  51   5.231   9.331   3.682
  420   HD13  LEU  51          HD13      LEU  51   6.266   9.326   2.253
  421   HD21  LEU  51          HD21      LEU  51   4.542   7.424   0.539
  422   HD22  LEU  51          HD22      LEU  51   5.295   8.929   0.014
  423   HD23  LEU  51          HD23      LEU  51   3.556   8.700  -0.177
  424    H    ARG  52           HN       ARG  52   0.679   9.750   3.990
  425    HA   ARG  52           HA       ARG  52  -0.773   7.476   4.848
  426    HB2  ARG  52           HB2      ARG  52  -1.748   9.029   6.552
  427    HB3  ARG  52           HB1      ARG  52   0.009   8.994   6.509
  428    HG2  ARG  52           HG2      ARG  52   0.084  11.178   6.199
  429    HG3  ARG  52           HG1      ARG  52  -0.925  11.043   4.758
  430    HD2  ARG  52           HD2      ARG  52  -1.995  12.524   6.314
  431    HD3  ARG  52           HD1      ARG  52  -2.925  11.029   6.225
  432    HE   ARG  52           HE       ARG  52  -1.658  10.406   8.331
  433   HH11  ARG  52          HH11      ARG  52  -2.441  13.739   7.470
  434   HH12  ARG  52          HH12      ARG  52  -2.469  14.283   9.188
  435   HH21  ARG  52          HH21      ARG  52  -1.688  11.071  10.500
  436   HH22  ARG  52          HH22      ARG  52  -2.058  12.801  10.873
  437    H    GLU  53           HN       GLU  53  -1.673  10.275   2.920
  438    HA   GLU  53           HA       GLU  53  -4.488   9.858   3.177
  439    HB2  GLU  53           HB2      GLU  53  -4.731  11.477   1.393
  440    HB3  GLU  53           HB1      GLU  53  -3.518  12.041   2.534
  441    HG2  GLU  53           HG2      GLU  53  -1.749  11.398   1.037
  442    HG3  GLU  53           HG1      GLU  53  -2.907  10.680  -0.077
  443    H    GLN  54           HN       GLN  54  -2.058   8.218   1.520
  444    HA   GLN  54           HA       GLN  54  -3.948   7.106  -0.437
  445    HB2  GLN  54           HB2      GLN  54  -0.927   6.923  -0.337
  446    HB3  GLN  54           HB1      GLN  54  -1.945   6.205  -1.577
  447    HG2  GLN  54           HG2      GLN  54  -1.786   9.155  -1.005
  448    HG3  GLN  54           HG1      GLN  54  -0.854   8.329  -2.246
  449   HE21  GLN  54          HE21      GLN  54  -3.997   9.435  -1.271
  450   HE22  GLN  54          HE22      GLN  54  -4.765   9.232  -2.806
  451    H    ALA  55           HN       ALA  55  -2.948   6.531   2.600
  452    HA   ALA  55           HA       ALA  55  -2.214   3.790   2.540
  453    HB1  ALA  55           HB1      ALA  55  -3.427   5.371   4.804
  454    HB2  ALA  55           HB2      ALA  55  -1.705   5.246   4.443
  455    HB3  ALA  55           HB3      ALA  55  -2.608   3.813   4.942
  456    H    GLY  56           HN       GLY  56  -3.433   2.076   2.146
  457    HA2  GLY  56           HA2      GLY  56  -5.299   0.676   2.345
  458    HA3  GLY  56           HA1      GLY  56  -6.235   2.041   2.944
  459    H    GLY  57           HN       GLY  57  -4.497   2.934   0.239
  460    HA2  GLY  57           HA2      GLY  57  -6.677   2.191  -1.593
  461    HA3  GLY  57           HA1      GLY  57  -6.172   3.870  -1.460
  462    H    ASP  58           HN       ASP  58  -6.090   2.725  -3.892
  463    HA   ASP  58           HA       ASP  58  -3.422   1.702  -4.422
  464    HB2  ASP  58           HB2      ASP  58  -5.312   0.726  -5.625
  465    HB3  ASP  58           HB1      ASP  58  -5.741   2.306  -6.267
  466    H    ALA  59           HN       ALA  59  -1.746   2.991  -4.788
  467    HA   ALA  59           HA       ALA  59  -2.290   5.703  -5.821
  468    HB1  ALA  59           HB1      ALA  59  -0.325   6.484  -4.635
  469    HB2  ALA  59           HB2      ALA  59  -0.010   4.851  -4.045
  470    HB3  ALA  59           HB3      ALA  59  -1.454   5.716  -3.520
  471    H    THR  60           HN       THR  60  -1.634   3.069  -7.182
  472    HA   THR  60           HA       THR  60   0.940   3.135  -8.256
  473    HB   THR  60           HB       THR  60  -1.568   2.177  -9.657
  474    HG1  THR  60           HG1      THR  60  -1.478   1.045  -7.776
  475   HG21  THR  60          HG21      THR  60   1.319   1.349 -10.006
  476   HG22  THR  60          HG22      THR  60   0.406   2.361 -11.125
  477   HG23  THR  60          HG23      THR  60  -0.067   0.680 -10.867
  478    H    GLU  61           HN       GLU  61  -1.955   4.885  -9.140
  479    HA   GLU  61           HA       GLU  61  -1.200   5.892 -11.629
  480    HB2  GLU  61           HB2      GLU  61  -2.829   7.719 -11.133
  481    HB3  GLU  61           HB1      GLU  61  -3.465   6.103 -10.871
  482    HG2  GLU  61           HG2      GLU  61  -3.079   6.355  -8.459
  483    HG3  GLU  61           HG1      GLU  61  -2.474   7.986  -8.742
  484    H    ASN  62           HN       ASN  62  -0.476   7.034  -8.381
  485    HA   ASN  62           HA       ASN  62   0.816   9.446  -9.305
  486    HB2  ASN  62           HB2      ASN  62   0.622   8.153  -6.575
  487    HB3  ASN  62           HB1      ASN  62   1.490   9.656  -6.872
  488   HD21  ASN  62          HD21      ASN  62  -0.953   8.956  -5.280
  489   HD22  ASN  62          HD22      ASN  62  -2.150  10.085  -5.805
  490    H    PHE  63           HN       PHE  63   1.761   6.261  -8.181
  491    HA   PHE  63           HA       PHE  63   4.499   6.643  -7.851
  492    HB2  PHE  63           HB2      PHE  63   3.037   4.604  -7.295
  493    HB3  PHE  63           HB1      PHE  63   3.292   4.117  -8.964
  494    HD1  PHE  63           HD2      PHE  63   4.939   4.725  -5.730
  495    HD2  PHE  63           HD1      PHE  63   5.340   3.167  -9.675
  496    HE1  PHE  63           HE2      PHE  63   7.050   3.643  -5.083
  497    HE2  PHE  63           HE1      PHE  63   7.452   2.083  -9.034
  498    HZ   PHE  63           HZ       PHE  63   8.309   2.320  -6.735
  499    H    GLU  64           HN       GLU  64   2.714   5.579 -10.734
  500    HA   GLU  64           HA       GLU  64   5.029   5.463 -12.401
  501    HB2  GLU  64           HB2      GLU  64   2.143   5.671 -13.263
  502    HB3  GLU  64           HB1      GLU  64   3.487   5.038 -14.202
  503    HG2  GLU  64           HG2      GLU  64   2.551   3.793 -11.633
  504    HG3  GLU  64           HG1      GLU  64   1.917   3.337 -13.213
  505    H    ASP  65           HN       ASP  65   2.669   7.903 -11.616
  506    HA   ASP  65           HA       ASP  65   3.075   9.654 -13.773
  507    HB2  ASP  65           HB2      ASP  65   1.162   9.965 -12.364
  508    HB3  ASP  65           HB1      ASP  65   2.171  10.162 -10.935
  509    H    VAL  66           HN       VAL  66   4.567   9.581 -10.552
  510    HA   VAL  66           HA       VAL  66   6.295  11.788 -11.124
  511    HB   VAL  66           HB       VAL  66   6.558   9.746  -8.912
  512   HG11  VAL  66          HG11      VAL  66   8.542  11.197  -9.442
  513   HG12  VAL  66          HG12      VAL  66   7.926  11.317  -7.796
  514   HG13  VAL  66          HG13      VAL  66   7.560  12.583  -8.968
  515   HG21  VAL  66          HG21      VAL  66   4.350  10.831  -8.891
  516   HG22  VAL  66          HG22      VAL  66   5.136  12.407  -8.857
  517   HG23  VAL  66          HG23      VAL  66   5.335  11.296  -7.505
  518    H    GLY  67           HN       GLY  67   6.845   8.283 -10.718
  519    HA2  GLY  67           HA2      GLY  67   8.325   6.984 -12.016
  520    HA3  GLY  67           HA1      GLY  67   9.071   8.464 -12.603
  521    H    HIS  68           HN       HIS  68   9.382   5.872 -10.503
  522    HA   HIS  68           HA       HIS  68  11.161   7.287  -8.668
  523    HB2  HIS  68           HB2      HIS  68   9.881   4.573  -8.649
  524    HB3  HIS  68           HB1      HIS  68  11.246   4.928  -7.598
  525    HD1  HIS  68           HD1      HIS  68   7.853   6.537  -8.350
  526    HD2  HIS  68           HD2      HIS  68  10.476   5.821  -5.203
  527    HE1  HIS  68           HE1      HIS  68   6.746   7.468  -6.276
  528    H    SER  69           HN       SER  69  13.185   6.003  -8.030
  529    HA   SER  69           HA       SER  69  14.727   5.626 -10.441
  530    HB2  SER  69           HB2      SER  69  16.639   5.475  -8.845
  531    HB3  SER  69           HB1      SER  69  15.684   6.943  -8.639
  532    HG   SER  69           HG       SER  69  15.832   6.233  -6.616
  533    H    THR  70           HN       THR  70  16.303   3.804 -10.554
  534    HA   THR  70           HA       THR  70  14.991   1.313 -10.466
  535    HB   THR  70           HB       THR  70  17.922   1.193 -10.520
  536    HG1  THR  70           HG1      THR  70  18.148   2.958 -11.667
  537   HG21  THR  70          HG21      THR  70  15.777   0.452 -12.515
  538   HG22  THR  70          HG22      THR  70  16.494  -0.625 -11.319
  539   HG23  THR  70          HG23      THR  70  17.480   0.017 -12.631
  540    H    ASP  71           HN       ASP  71  16.747   3.063  -8.115
  541    HA   ASP  71           HA       ASP  71  17.444   0.756  -6.513
  542    HB2  ASP  71           HB2      ASP  71  18.733   3.009  -6.668
  543    HB3  ASP  71           HB1      ASP  71  17.503   3.613  -5.563
  544    H    ALA  72           HN       ALA  72  15.167   3.463  -6.405
  545    HA   ALA  72           HA       ALA  72  13.962   2.950  -3.956
  546    HB1  ALA  72           HB1      ALA  72  12.625   4.071  -6.408
  547    HB2  ALA  72           HB2      ALA  72  13.635   4.991  -5.295
  548    HB3  ALA  72           HB3      ALA  72  12.117   4.290  -4.733
  549    H    ARG  73           HN       ARG  73  13.154   1.629  -7.157
  550    HA   ARG  73           HA       ARG  73  10.816   0.284  -6.354
  551    HB2  ARG  73           HB2      ARG  73  11.130  -1.096  -8.407
  552    HB3  ARG  73           HB1      ARG  73  11.202   0.635  -8.696
  553    HG2  ARG  73           HG2      ARG  73  13.071   0.240  -9.817
  554    HG3  ARG  73           HG1      ARG  73  13.835  -0.049  -8.252
  555    HD2  ARG  73           HD2      ARG  73  14.326  -1.917  -9.655
  556    HD3  ARG  73           HD1      ARG  73  13.154  -2.444  -8.448
  557    HE   ARG  73           HE       ARG  73  11.868  -1.583 -10.837
  558   HH11  ARG  73          HH11      ARG  73  13.587  -4.266  -9.330
  559   HH12  ARG  73          HH12      ARG  73  12.897  -5.486 -10.476
  560   HH21  ARG  73          HH21      ARG  73  10.966  -3.093 -12.288
  561   HH22  ARG  73          HH22      ARG  73  11.421  -4.833 -12.120
  562    H    GLU  74           HN       GLU  74  14.194  -0.584  -6.110
  563    HA   GLU  74           HA       GLU  74  13.662  -3.330  -5.419
  564    HB2  GLU  74           HB2      GLU  74  16.158  -1.641  -5.256
  565    HB3  GLU  74           HB1      GLU  74  16.104  -3.338  -4.804
  566    HG2  GLU  74           HG2      GLU  74  15.496  -2.222  -7.530
  567    HG3  GLU  74           HG1      GLU  74  16.992  -3.021  -7.049
  568    H    LEU  75           HN       LEU  75  14.441  -0.333  -3.747
  569    HA   LEU  75           HA       LEU  75  14.709  -1.354  -1.144
  570    HB2  LEU  75           HB2      LEU  75  15.435   0.876  -1.670
  571    HB3  LEU  75           HB1      LEU  75  13.821   1.345  -2.163
  572    HG   LEU  75           HG       LEU  75  13.091   1.016   0.227
  573   HD11  LEU  75          HD11      LEU  75  14.865   1.054   1.940
  574   HD12  LEU  75          HD12      LEU  75  16.068   0.820   0.671
  575   HD13  LEU  75          HD13      LEU  75  14.871  -0.437   0.994
  576   HD21  LEU  75          HD21      LEU  75  13.955   3.153   0.960
  577   HD22  LEU  75          HD22      LEU  75  13.585   3.222  -0.763
  578   HD23  LEU  75          HD23      LEU  75  15.257   3.064  -0.227
  579    H    SER  76           HN       SER  76  11.916  -0.610  -3.079
  580    HA   SER  76           HA       SER  76   9.999  -0.544  -0.990
  581    HB2  SER  76           HB2      SER  76   9.591  -1.203  -3.920
  582    HB3  SER  76           HB1      SER  76   8.340  -0.708  -2.779
  583    HG   SER  76           HG       SER  76  10.570   0.840  -3.631
  584    H    LYS  77           HN       LYS  77  11.714  -3.105  -2.457
  585    HA   LYS  77           HA       LYS  77   9.753  -5.154  -2.154
  586    HB2  LYS  77           HB2      LYS  77  12.300  -4.924  -3.316
  587    HB3  LYS  77           HB1      LYS  77  12.439  -6.181  -2.094
  588    HG2  LYS  77           HG2      LYS  77  10.567  -7.375  -3.091
  589    HG3  LYS  77           HG1      LYS  77  10.396  -6.106  -4.308
  590    HD2  LYS  77           HD2      LYS  77  12.645  -6.591  -5.132
  591    HD3  LYS  77           HD1      LYS  77  12.830  -7.842  -3.903
  592    HE2  LYS  77           HE2      LYS  77  10.912  -9.046  -4.882
  593    HE3  LYS  77           HE1      LYS  77  10.815  -7.821  -6.147
  594    HZ1  LYS  77           HZ1      LYS  77  13.019  -8.434  -6.878
  595    HZ2  LYS  77           HZ2      LYS  77  12.021  -9.796  -6.870
  596    HZ3  LYS  77           HZ3      LYS  77  13.155  -9.573  -5.638
  597    H    THR  78           HN       THR  78  11.341  -3.445   0.179
  598    HA   THR  78           HA       THR  78  11.514  -5.755   1.978
  599    HB   THR  78           HB       THR  78  13.439  -4.047   1.753
  600    HG1  THR  78           HG1      THR  78  13.899  -4.308   3.990
  601   HG21  THR  78          HG21      THR  78  12.192  -1.987   1.948
  602   HG22  THR  78          HG22      THR  78  13.269  -2.141   3.336
  603   HG23  THR  78          HG23      THR  78  11.549  -2.482   3.513
  604    H    PHE  79           HN       PHE  79   9.395  -3.347   1.081
  605    HA   PHE  79           HA       PHE  79   8.120  -3.212   3.726
  606    HB2  PHE  79           HB2      PHE  79   7.624  -1.543   1.248
  607    HB3  PHE  79           HB1      PHE  79   6.820  -1.330   2.798
  608    HD1  PHE  79           HD2      PHE  79   8.647  -1.188   4.822
  609    HD2  PHE  79           HD1      PHE  79   9.257  -0.021   0.778
  610    HE1  PHE  79           HE2      PHE  79  10.440   0.334   5.538
  611    HE2  PHE  79           HE1      PHE  79  11.055   1.503   1.486
  612    HZ   PHE  79           HZ       PHE  79  11.646   1.683   3.868
  613    H    ILE  80           HN       ILE  80   7.965  -4.907   0.876
  614    HA   ILE  80           HA       ILE  80   5.143  -5.087   0.525
  615    HB   ILE  80           HB       ILE  80   6.598  -5.571  -1.338
  616   HG12  ILE  80          HG12      ILE  80   5.802  -8.039  -1.787
  617   HG13  ILE  80          HG11      ILE  80   4.871  -7.788  -0.314
  618   HG21  ILE  80          HG21      ILE  80   8.537  -6.416  -0.196
  619   HG22  ILE  80          HG22      ILE  80   8.006  -7.598  -1.393
  620   HG23  ILE  80          HG23      ILE  80   7.655  -7.852   0.316
  621   HD11  ILE  80          HD11      ILE  80   3.519  -7.303  -2.240
  622   HD12  ILE  80          HD12      ILE  80   4.720  -6.153  -2.834
  623   HD13  ILE  80          HD13      ILE  80   3.831  -5.812  -1.349
  624    H    ILE  81           HN       ILE  81   3.722  -6.179   1.694
  625    HA   ILE  81           HA       ILE  81   4.685  -8.489   3.250
  626    HB   ILE  81           HB       ILE  81   3.095  -8.021   5.013
  627   HG12  ILE  81          HG12      ILE  81   1.537  -6.747   3.324
  628   HG13  ILE  81          HG11      ILE  81   1.522  -6.325   5.031
  629   HG21  ILE  81          HG21      ILE  81   4.857  -5.675   4.350
  630   HG22  ILE  81          HG22      ILE  81   5.278  -7.093   5.310
  631   HG23  ILE  81          HG23      ILE  81   4.093  -5.935   5.916
  632   HD11  ILE  81          HD11      ILE  81   3.125  -4.479   4.486
  633   HD12  ILE  81          HD12      ILE  81   1.514  -4.310   3.791
  634   HD13  ILE  81          HD13      ILE  81   2.857  -4.846   2.782
  635    H    GLY  82           HN       GLY  82   2.561  -7.379   0.877
  636    HA2  GLY  82           HA2      GLY  82   1.455  -9.954   0.496
  637    HA3  GLY  82           HA1      GLY  82   0.284  -8.918   1.291
  638    H    GLU  83           HN       GLU  83  -0.607  -9.797  -0.929
  639    HA   GLU  83           HA       GLU  83  -0.357  -7.572  -2.828
  640    HB2  GLU  83           HB2      GLU  83   0.159 -10.414  -3.295
  641    HB3  GLU  83           HB1      GLU  83  -1.018  -9.740  -4.410
  642    HG2  GLU  83           HG2      GLU  83   0.796  -7.850  -4.659
  643    HG3  GLU  83           HG1      GLU  83   1.871  -9.129  -4.095
  644    H    LEU  84           HN       LEU  84  -2.268  -7.530  -4.345
  645    HA   LEU  84           HA       LEU  84  -4.677  -7.695  -2.792
  646    HB2  LEU  84           HB2      LEU  84  -3.843  -6.539  -5.363
  647    HB3  LEU  84           HB1      LEU  84  -5.505  -7.097  -5.322
  648    HG   LEU  84           HG       LEU  84  -5.853  -5.675  -3.283
  649   HD11  LEU  84          HD11      LEU  84  -4.270  -3.986  -2.713
  650   HD12  LEU  84          HD12      LEU  84  -3.217  -4.444  -4.050
  651   HD13  LEU  84          HD13      LEU  84  -3.438  -5.540  -2.686
  652   HD21  LEU  84          HD21      LEU  84  -6.583  -4.943  -5.479
  653   HD22  LEU  84          HD22      LEU  84  -4.981  -4.281  -5.807
  654   HD23  LEU  84          HD23      LEU  84  -5.985  -3.576  -4.538
  655    H    HIS  85           HN       HIS  85  -6.526  -8.913  -3.271
  656    HA   HIS  85           HA       HIS  85  -6.051 -11.581  -4.091
  657    HB2  HIS  85           HB2      HIS  85  -8.543 -10.010  -3.454
  658    HB3  HIS  85           HB1      HIS  85  -8.643 -11.667  -4.031
  659    HD1  HIS  85           HD1      HIS  85  -9.772 -12.107  -1.634
  660    HD2  HIS  85           HD2      HIS  85  -5.728 -11.143  -1.599
  661    HE1  HIS  85           HE1      HIS  85  -8.939 -12.777   0.641
  662    HE2  HIS  85           HE2      HIS  85  -6.487 -12.191   0.649
  663    HA   PRO  86           HA       PRO  86  -6.393 -11.399  -8.491
  664    HB2  PRO  86           HB2      PRO  86  -7.836 -13.733  -8.909
  665    HB3  PRO  86           HB1      PRO  86  -6.082 -13.640  -8.721
  666    HG2  PRO  86           HG2      PRO  86  -8.151 -14.357  -6.702
  667    HG3  PRO  86           HG1      PRO  86  -6.529 -15.034  -6.948
  668    HD2  PRO  86           HD2      PRO  86  -7.016 -13.320  -4.963
  669    HD3  PRO  86           HD1      PRO  86  -5.479 -13.288  -5.854
  670    H    ASP  87           HN       ASP  87  -9.334 -12.254  -6.712
  671    HA   ASP  87           HA       ASP  87 -11.188 -11.682  -8.733
  672    HB2  ASP  87           HB2      ASP  87 -11.430 -11.630  -5.726
  673    HB3  ASP  87           HB1      ASP  87 -12.801 -11.387  -6.806
  674    H    ASP  88           HN       ASP  88  -9.795  -9.633  -6.215
  675    HA   ASP  88           HA       ASP  88 -11.280  -7.319  -7.176
  676    HB2  ASP  88           HB2      ASP  88  -9.416  -7.791  -4.857
  677    HB3  ASP  88           HB1      ASP  88  -9.916  -6.170  -5.321
  678    H    ARG  89           HN       ARG  89  -8.922  -8.806  -8.552
  679    HA   ARG  89           HA       ARG  89  -7.192  -6.463  -8.925
  680    HB2  ARG  89           HB2      ARG  89  -6.164  -8.621  -8.123
  681    HB3  ARG  89           HB1      ARG  89  -6.583  -9.321  -9.681
  682    HG2  ARG  89           HG2      ARG  89  -5.212  -7.565 -10.774
  683    HG3  ARG  89           HG1      ARG  89  -4.695  -7.036  -9.170
  684    HD2  ARG  89           HD2      ARG  89  -4.322  -9.808 -10.293
  685    HD3  ARG  89           HD1      ARG  89  -3.080  -8.559 -10.253
  686    HE   ARG  89           HE       ARG  89  -4.304  -9.438  -7.738
  687   HH11  ARG  89          HH11      ARG  89  -1.503  -9.265  -9.873
  688   HH12  ARG  89          HH12      ARG  89  -0.362  -9.815  -8.590
  689   HH21  ARG  89          HH21      ARG  89  -2.883 -10.129  -6.093
  690   HH22  ARG  89          HH22      ARG  89  -1.120 -10.302  -6.491
  691    H    SER  90           HN       SER  90  -8.466  -9.211 -10.847
  692    HA   SER  90           HA       SER  90  -8.528  -7.369 -13.147
  693    HB2  SER  90           HB2      SER  90  -8.551  -9.881 -14.243
  694    HB3  SER  90           HB1      SER  90  -7.114  -8.883 -14.021
  695    HG   SER  90           HG       SER  90  -6.627 -10.763 -13.030
  696    H    LYS  91           HN       LYS  91 -10.543  -9.101 -11.074
  697    HA   LYS  91           HA       LYS  91 -12.588  -9.486 -13.137
  698    HB2  LYS  91           HB2      LYS  91 -12.534 -10.393 -10.256
  699    HB3  LYS  91           HB1      LYS  91 -13.818 -10.746 -11.404
  700    HG2  LYS  91           HG2      LYS  91 -12.150 -11.924 -12.820
  701    HG3  LYS  91           HG1      LYS  91 -10.957 -11.671 -11.545
  702    HD2  LYS  91           HD2      LYS  91 -12.434 -12.899  -9.983
  703    HD3  LYS  91           HD1      LYS  91 -13.533 -13.223 -11.323
  704    HE2  LYS  91           HE2      LYS  91 -10.649 -14.089 -11.165
  705    HE3  LYS  91           HE1      LYS  91 -12.045 -15.123 -10.870
  706    HZ1  LYS  91           HZ1      LYS  91 -11.212 -15.442 -13.094
  707    HZ2  LYS  91           HZ2      LYS  91 -11.361 -13.794 -13.439
  708    HZ3  LYS  91           HZ3      LYS  91 -12.746 -14.727 -13.169
  709    H    LEU  92           HN       LEU  92 -12.398  -8.158  -9.832
  710    HA   LEU  92           HA       LEU  92 -13.372  -6.358  -8.844
  711    HB2  LEU  92           HB2      LEU  92 -13.566  -5.603 -11.718
  712    HB3  LEU  92           HB1      LEU  92 -14.528  -4.694 -10.571
  713    HG   LEU  92           HG       LEU  92 -12.485  -3.506 -10.959
  714   HD11  LEU  92          HD11      LEU  92 -11.681  -3.231  -8.749
  715   HD12  LEU  92          HD12      LEU  92 -12.164  -4.862  -8.297
  716   HD13  LEU  92          HD13      LEU  92 -13.392  -3.641  -8.624
  717   HD21  LEU  92          HD21      LEU  92 -11.062  -6.053 -10.196
  718   HD22  LEU  92          HD22      LEU  92 -10.285  -4.495 -10.470
  719   HD23  LEU  92          HD23      LEU  92 -11.108  -5.316 -11.796
  720    H    SER  93           HN       SER  93 -14.853  -8.836  -9.563
  721    HA   SER  93           HA       SER  93 -17.584  -8.015  -9.969
  722    HB2  SER  93           HB2      SER  93 -17.696 -10.642  -9.217
  723    HB3  SER  93           HB1      SER  93 -17.440 -10.088 -10.872
  724    HG   SER  93           HG       SER  93 -15.761 -11.441  -9.264
  725    H    LYS  94           HN       LYS  94 -17.081  -6.571  -7.914
  726    HA   LYS  94           HA       LYS  94 -18.438  -7.887  -5.692
  727    HB2  LYS  94           HB2      LYS  94 -15.666  -6.808  -5.611
  728    HB3  LYS  94           HB1      LYS  94 -16.696  -6.473  -4.226
  729    HG2  LYS  94           HG2      LYS  94 -16.991  -8.789  -3.778
  730    HG3  LYS  94           HG1      LYS  94 -16.244  -9.245  -5.311
  731    HD2  LYS  94           HD2      LYS  94 -14.623  -9.612  -3.613
  732    HD3  LYS  94           HD1      LYS  94 -14.130  -8.159  -4.485
  733    HE2  LYS  94           HE2      LYS  94 -15.437  -6.901  -2.643
  734    HE3  LYS  94           HE1      LYS  94 -15.314  -8.413  -1.744
  735    HZ1  LYS  94           HZ1      LYS  94 -13.377  -7.534  -1.063
  736    HZ2  LYS  94           HZ2      LYS  94 -13.279  -6.459  -2.367
  737    HZ3  LYS  94           HZ3      LYS  94 -12.786  -8.062  -2.567
  738    HA   PRO  95           HA       PRO  95 -20.600  -4.034  -5.653
  739    HB2  PRO  95           HB2      PRO  95 -21.736  -4.162  -3.203
  740    HB3  PRO  95           HB1      PRO  95 -22.251  -5.197  -4.543
  741    HG2  PRO  95           HG2      PRO  95 -20.451  -5.852  -2.255
  742    HG3  PRO  95           HG1      PRO  95 -21.745  -6.825  -2.982
  743    HD2  PRO  95           HD2      PRO  95 -19.117  -7.216  -3.539
  744    HD3  PRO  95           HD1      PRO  95 -20.417  -7.555  -4.699
  745    H    MET  96           HN       MET  96 -21.095  -2.264  -3.784
  746    HA   MET  96           HA       MET  96 -18.573  -1.596  -2.444
  747    HB2  MET  96           HB2      MET  96 -18.711  -0.420  -4.654
  748    HB3  MET  96           HB1      MET  96 -20.167   0.382  -4.083
  749    HG2  MET  96           HG2      MET  96 -19.027   1.711  -2.607
  750    HG3  MET  96           HG1      MET  96 -17.678   0.585  -2.464
  751    HE1  MET  96           HE1      MET  96 -19.483   3.163  -4.813
  752    HE2  MET  96           HE2      MET  96 -19.296   1.754  -5.859
  753    HE3  MET  96           HE3      MET  96 -18.380   3.222  -6.189
  754    H    GLU  97           HN       GLU  97 -21.934  -0.506  -2.928
  755    HA   GLU  97           HA       GLU  97 -23.534   0.244  -1.517
  756    HB2  GLU  97           HB2      GLU  97 -23.106  -2.037  -0.540
  757    HB3  GLU  97           HB1      GLU  97 -22.077  -1.258   0.655
  758    HG2  GLU  97           HG2      GLU  97 -23.978   0.061   1.434
  759    HG3  GLU  97           HG1      GLU  97 -25.009  -0.717   0.233
  760    H    THR  98           HN       THR  98 -22.994   2.418  -1.630
  761    HA   THR  98           HA       THR  98 -22.068   3.543   0.878
  762    HB   THR  98           HB       THR  98 -20.008   3.292  -0.530
  763    HG1  THR  98           HG1      THR  98 -19.993   4.914   1.007
  764   HG21  THR  98          HG21      THR  98 -21.457   5.244  -2.317
  765   HG22  THR  98          HG22      THR  98 -20.881   3.638  -2.741
  766   HG23  THR  98          HG23      THR  98 -19.729   4.924  -2.402
  767    H    LEU  99           HN       LEU  99 -22.342   5.975   0.859
  768    HA   LEU  99           HA       LEU  99 -23.629   7.827   0.629
  769    HB2  LEU  99           HB2      LEU  99 -24.197   6.727  -2.129
  770    HB3  LEU  99           HB1      LEU  99 -24.593   8.346  -1.584
  771    HG   LEU  99           HG       LEU  99 -21.792   7.241  -1.777
  772   HD11  LEU  99          HD11      LEU  99 -22.782   7.468  -3.980
  773   HD12  LEU  99          HD12      LEU  99 -21.565   8.715  -3.716
  774   HD13  LEU  99          HD13      LEU  99 -23.278   9.119  -3.607
  775   HD21  LEU  99          HD21      LEU  99 -22.000   8.966  -0.086
  776   HD22  LEU  99          HD22      LEU  99 -22.817  10.024  -1.235
  777   HD23  LEU  99          HD23      LEU  99 -21.129   9.585  -1.487
  778    H    ILE 100           HN       ILE 100 -24.715   5.719   1.988
  779    HA   ILE 100           HA       ILE 100 -27.571   5.864   1.253
  780    HB   ILE 100           HB       ILE 100 -27.808   3.722   2.575
  781   HG12  ILE 100          HG12      ILE 100 -24.816   3.539   2.166
  782   HG13  ILE 100          HG11      ILE 100 -25.563   3.965   3.702
  783   HG21  ILE 100          HG21      ILE 100 -26.115   3.611   0.082
  784   HG22  ILE 100          HG22      ILE 100 -27.868   3.793   0.127
  785   HG23  ILE 100          HG23      ILE 100 -27.120   2.308   0.715
  786   HD11  ILE 100          HD11      ILE 100 -24.896   1.606   3.571
  787   HD12  ILE 100          HD12      ILE 100 -26.013   1.382   2.228
  788   HD13  ILE 100          HD13      ILE 100 -26.627   1.807   3.822
  789    H    THR 101           HN       THR 101 -25.552   7.315   3.222
  790    HA   THR 101           HA       THR 101 -27.522   7.483   5.379
  791    HB   THR 101           HB       THR 101 -25.160   7.743   6.768
  792    HG1  THR 101           HG1      THR 101 -24.588   5.314   5.714
  793   HG21  THR 101          HG21      THR 101 -25.738   5.604   7.782
  794   HG22  THR 101          HG22      THR 101 -26.791   5.226   6.418
  795   HG23  THR 101          HG23      THR 101 -27.192   6.564   7.495
  796    H    THR 102           HN       THR 102 -28.066   9.536   5.695
  797    HA   THR 102           HA       THR 102 -26.660  11.701   4.512
  798    HB   THR 102           HB       THR 102 -28.387  12.735   6.476
  799    HG1  THR 102           HG1      THR 102 -29.770  10.697   5.083
  800   HG21  THR 102          HG21      THR 102 -28.073  13.571   4.178
  801   HG22  THR 102          HG22      THR 102 -29.778  13.345   4.569
  802   HG23  THR 102          HG23      THR 102 -28.939  12.165   3.560
  803    H    VAL 103           HN       VAL 103 -24.893  12.634   5.260
  804    HA   VAL 103           HA       VAL 103 -24.570  13.025   8.143
  805    HB   VAL 103           HB       VAL 103 -22.111  12.467   7.877
  806   HG11  VAL 103          HG11      VAL 103 -24.128  10.246   7.575
  807   HG12  VAL 103          HG12      VAL 103 -23.618  11.006   9.082
  808   HG13  VAL 103          HG13      VAL 103 -22.472  10.048   8.147
  809   HG21  VAL 103          HG21      VAL 103 -21.604  10.820   6.061
  810   HG22  VAL 103          HG22      VAL 103 -21.885  12.467   5.498
  811   HG23  VAL 103          HG23      VAL 103 -23.146  11.247   5.322
  812    H    ASP 104           HN       ASP 104 -25.329  14.782   5.993
  813    HA   ASP 104           HA       ASP 104 -23.143  16.726   6.199
  814    HB2  ASP 104           HB2      ASP 104 -23.265  17.352   3.935
  815    HB3  ASP 104           HB1      ASP 104 -23.306  15.594   3.894
  816    HHB  HEM 400           HB       HEM 400  11.677   5.025  -1.913
  817    HHC  HEM 400           HC       HEM 400   5.357   4.965  -2.144
  818    HHD  HEM 400           HD       HEM 400   5.405  10.765  -4.700
  819    HMA  HEM 400          HMA1      HEM 400  13.846   5.468  -3.081
  820   HMAA  HEM 400          HMA2      HEM 400  13.923   6.288  -1.526
  821   HMAB  HEM 400          HMA3      HEM 400  14.814   6.938  -2.899
  822    HAA  HEM 400          HAA1      HEM 400  14.677   9.203  -3.183
  823   HAAA  HEM 400          HAA2      HEM 400  13.677  10.266  -4.160
  824    HBA  HEM 400          HBA1      HEM 400  14.710   9.456  -5.979
  825   HBAA  HEM 400          HBA2      HEM 400  13.960   7.896  -5.659
  826    HMB  HEM 400          HMB1      HEM 400  10.094   2.160  -1.740
  827   HMBA  HEM 400          HMB2      HEM 400   9.721   2.677  -0.087
  828   HMBB  HEM 400          HMB3      HEM 400  11.093   3.371  -0.952
  829    HAB  HEM 400           HAB      HEM 400   6.355   2.511  -1.950
  830    HBB  HEM 400          HBB1      HEM 400   7.602   2.858   0.892
  831   HBBA  HEM 400          HBB2      HEM 400   6.275   1.597   0.306
  832    HMC  HEM 400          HMC1      HEM 400   2.262   6.870  -3.261
  833   HMCA  HEM 400          HMC2      HEM 400   3.059   6.279  -1.797
  834   HMCB  HEM 400          HMC3      HEM 400   3.258   5.428  -3.332
  835    HAC  HEM 400           HAC      HEM 400   3.189   9.796  -4.995
  836    HBC  HEM 400          HBC1      HEM 400   1.953   8.833  -2.284
  837   HBCA  HEM 400          HBC2      HEM 400   1.187   9.987  -3.614
  838    HMD  HEM 400          HMD1      HEM 400   5.998  12.536  -5.457
  839   HMDA  HEM 400          HMD2      HEM 400   7.215  12.947  -6.668
  840   HMDB  HEM 400          HMD3      HEM 400   7.252  13.701  -5.069
  841    HAD  HEM 400          HAD1      HEM 400   9.615  13.662  -5.709
  842   HADA  HEM 400          HAD2      HEM 400  10.987  12.864  -4.955
  843    HBD  HEM 400          HBD1      HEM 400   9.944  12.481  -7.764
  844   HBDA  HEM 400          HBD2      HEM 400  11.097  11.372  -7.020
  845    HHA  HEM 400           HA       HEM 400  11.737  10.725  -4.661
  Start of MODEL   11
    1    H1   MET   1           HT1      MET   1  21.069 -14.277  17.191
    2    H2   MET   1           HT2      MET   1  22.098 -13.674  18.387
    3    H3   MET   1           HT3      MET   1  21.454 -12.635  17.218
    4    HA   MET   1           HA       MET   1  19.784 -14.152  19.114
    5    HB2  MET   1           HB2      MET   1  21.153 -11.510  19.416
    6    HB3  MET   1           HB1      MET   1  19.562 -11.731  20.128
    7    HG2  MET   1           HG2      MET   1  21.334 -12.166  21.739
    8    HG3  MET   1           HG1      MET   1  20.373 -13.611  21.427
    9    HE1  MET   1           HE1      MET   1  23.860 -15.207  22.054
   10    HE2  MET   1           HE2      MET   1  22.154 -15.187  22.492
   11    HE3  MET   1           HE3      MET   1  23.182 -13.813  22.891
   12    H    ALA   2           HN       ALA   2  19.928 -10.971  17.512
   13    HA   ALA   2           HA       ALA   2  17.161 -11.416  16.616
   14    HB1  ALA   2           HB1      ALA   2  17.493  -9.495  18.130
   15    HB2  ALA   2           HB2      ALA   2  16.926  -9.005  16.534
   16    HB3  ALA   2           HB3      ALA   2  18.623  -8.800  16.968
   17    H    ALA   3           HN       ALA   3  17.627 -12.498  14.701
   18    HA   ALA   3           HA       ALA   3  18.545 -10.778  12.550
   19    HB1  ALA   3           HB1      ALA   3  20.612 -11.841  13.270
   20    HB2  ALA   3           HB2      ALA   3  20.134 -12.433  11.680
   21    HB3  ALA   3           HB3      ALA   3  19.868 -13.431  13.108
   22    H    GLN   4           HN       GLN   4  16.459 -10.873  11.739
   23    HA   GLN   4           HA       GLN   4  15.664 -13.505  10.697
   24    HB2  GLN   4           HB2      GLN   4  13.311 -12.741  10.850
   25    HB3  GLN   4           HB1      GLN   4  14.099 -12.862  12.414
   26    HG2  GLN   4           HG2      GLN   4  14.471 -10.403  12.346
   27    HG3  GLN   4           HG1      GLN   4  13.512 -10.347  10.868
   28   HE21  GLN   4          HE21      GLN   4  11.912  -9.087  11.736
   29   HE22  GLN   4          HE22      GLN   4  10.798  -9.673  12.921
   30    H    SER   5           HN       SER   5  15.149 -13.633   8.584
   31    HA   SER   5           HA       SER   5  14.647 -11.285   6.992
   32    HB2  SER   5           HB2      SER   5  17.118 -12.945   6.414
   33    HB3  SER   5           HB1      SER   5  16.534 -11.580   5.466
   34    HG   SER   5           HG       SER   5  16.762 -10.737   7.957
   35    H    ASP   6           HN       ASP   6  12.797 -12.110   6.160
   36    HA   ASP   6           HA       ASP   6  13.059 -14.405   4.388
   37    HB2  ASP   6           HB2      ASP   6  12.089 -14.921   6.857
   38    HB3  ASP   6           HB1      ASP   6  10.598 -14.456   6.042
   39    H    LYS   7           HN       LYS   7  10.777 -14.733   3.286
   40    HA   LYS   7           HA       LYS   7   9.491 -12.148   2.819
   41    HB2  LYS   7           HB2      LYS   7  10.893 -13.787   0.714
   42    HB3  LYS   7           HB1      LYS   7   9.599 -12.667   0.303
   43    HG2  LYS   7           HG2      LYS   7  12.046 -11.834   1.834
   44    HG3  LYS   7           HG1      LYS   7  11.953 -11.790   0.072
   45    HD2  LYS   7           HD2      LYS   7  10.345 -10.114   0.071
   46    HD3  LYS   7           HD1      LYS   7   9.838 -10.462   1.723
   47    HE2  LYS   7           HE2      LYS   7  12.599  -9.458   1.141
   48    HE3  LYS   7           HE1      LYS   7  11.240  -8.343   1.257
   49    HZ1  LYS   7           HZ1      LYS   7  10.883  -8.912   3.488
   50    HZ2  LYS   7           HZ2      LYS   7  12.564  -8.761   3.357
   51    HZ3  LYS   7           HZ3      LYS   7  11.854 -10.296   3.400
   52    H    ASP   8           HN       ASP   8   7.424 -12.504   3.158
   53    HA   ASP   8           HA       ASP   8   6.215 -14.980   2.121
   54    HB2  ASP   8           HB2      ASP   8   6.385 -15.048   4.582
   55    HB3  ASP   8           HB1      ASP   8   5.508 -13.527   4.684
   56    H    VAL   9           HN       VAL   9   4.507 -14.673   0.805
   57    HA   VAL   9           HA       VAL   9   3.527 -11.918   0.552
   58    HB   VAL   9           HB       VAL   9   4.419 -12.634  -1.522
   59   HG11  VAL   9          HG11      VAL   9   2.782 -15.145  -1.205
   60   HG12  VAL   9          HG12      VAL   9   4.540 -15.005  -1.228
   61   HG13  VAL   9          HG13      VAL   9   3.611 -14.682  -2.691
   62   HG21  VAL   9          HG21      VAL   9   2.354 -11.400  -1.761
   63   HG22  VAL   9          HG22      VAL   9   1.415 -12.886  -1.632
   64   HG23  VAL   9          HG23      VAL   9   2.464 -12.625  -3.026
   65    H    LYS  10           HN       LYS  10   1.813 -11.621   1.784
   66    HA   LYS  10           HA       LYS  10  -0.217 -13.721   1.979
   67    HB2  LYS  10           HB2      LYS  10   0.706 -12.656   4.053
   68    HB3  LYS  10           HB1      LYS  10  -0.008 -11.137   3.535
   69    HG2  LYS  10           HG2      LYS  10  -2.158 -11.853   3.936
   70    HG3  LYS  10           HG1      LYS  10  -1.729 -13.557   3.802
   71    HD2  LYS  10           HD2      LYS  10  -0.750 -11.789   6.034
   72    HD3  LYS  10           HD1      LYS  10  -2.241 -12.726   6.133
   73    HE2  LYS  10           HE2      LYS  10   0.530 -13.834   5.686
   74    HE3  LYS  10           HE1      LYS  10  -0.384 -13.910   7.191
   75    HZ1  LYS  10           HZ1      LYS  10  -1.089 -15.222   4.624
   76    HZ2  LYS  10           HZ2      LYS  10  -2.081 -15.213   5.989
   77    HZ3  LYS  10           HZ3      LYS  10  -0.573 -15.983   6.043
   78    H    TYR  11           HN       TYR  11  -2.132 -13.556   1.002
   79    HA   TYR  11           HA       TYR  11  -2.585 -11.289  -0.734
   80    HB2  TYR  11           HB2      TYR  11  -3.862 -13.985  -0.413
   81    HB3  TYR  11           HB1      TYR  11  -4.679 -12.723  -1.330
   82    HD1  TYR  11           HD2      TYR  11  -1.792 -14.990  -1.240
   83    HD2  TYR  11           HD1      TYR  11  -3.808 -11.973  -3.460
   84    HE1  TYR  11           HE2      TYR  11  -0.451 -15.562  -3.223
   85    HE2  TYR  11           HE1      TYR  11  -2.472 -12.532  -5.447
   86    HH   TYR  11           HH       TYR  11  -0.730 -15.328  -5.768
   87    H    TYR  12           HN       TYR  12  -3.434  -9.537   0.131
   88    HA   TYR  12           HA       TYR  12  -5.450  -9.784   2.242
   89    HB2  TYR  12           HB2      TYR  12  -3.681  -7.541   1.305
   90    HB3  TYR  12           HB1      TYR  12  -5.099  -7.213   2.296
   91    HD1  TYR  12           HD2      TYR  12  -5.269  -8.426   4.544
   92    HD2  TYR  12           HD1      TYR  12  -1.657  -8.176   2.311
   93    HE1  TYR  12           HE2      TYR  12  -3.984  -8.926   6.577
   94    HE2  TYR  12           HE1      TYR  12  -0.365  -8.681   4.340
   95    HH   TYR  12           HH       TYR  12  -1.757  -9.893   7.139
   96    H    THR  13           HN       THR  13  -7.400  -8.511   2.118
   97    HA   THR  13           HA       THR  13  -8.432  -8.396  -0.605
   98    HB   THR  13           HB       THR  13 -10.498  -7.750   1.156
   99    HG1  THR  13           HG1      THR  13 -10.271  -9.095   2.885
  100   HG21  THR  13          HG21      THR  13 -11.275 -10.050   0.667
  101   HG22  THR  13          HG22      THR  13  -9.688 -10.419  -0.004
  102   HG23  THR  13          HG23      THR  13 -10.711  -9.209  -0.776
  103    H    LEU  14           HN       LEU  14  -9.716  -6.581  -1.307
  104    HA   LEU  14           HA       LEU  14  -8.464  -4.110  -1.017
  105    HB2  LEU  14           HB2      LEU  14  -9.822  -4.687  -2.937
  106    HB3  LEU  14           HB1      LEU  14 -11.258  -4.769  -1.936
  107    HG   LEU  14           HG       LEU  14 -10.838  -2.281  -1.445
  108   HD11  LEU  14          HD11      LEU  14  -9.606  -1.069  -3.157
  109   HD12  LEU  14          HD12      LEU  14  -9.152  -2.588  -3.926
  110   HD13  LEU  14          HD13      LEU  14  -8.550  -2.202  -2.316
  111   HD21  LEU  14          HD21      LEU  14 -12.015  -1.615  -3.468
  112   HD22  LEU  14          HD22      LEU  14 -12.666  -3.124  -2.831
  113   HD23  LEU  14          HD23      LEU  14 -11.595  -3.149  -4.232
  114    H    GLU  15           HN       GLU  15 -11.365  -5.378   0.548
  115    HA   GLU  15           HA       GLU  15 -11.964  -2.970   1.962
  116    HB2  GLU  15           HB2      GLU  15 -13.554  -4.404   3.231
  117    HB3  GLU  15           HB1      GLU  15 -13.745  -4.512   1.488
  118    HG2  GLU  15           HG2      GLU  15 -11.980  -6.497   2.793
  119    HG3  GLU  15           HG1      GLU  15 -13.716  -6.645   3.068
  120    H    GLU  16           HN       GLU  16  -9.496  -5.162   2.404
  121    HA   GLU  16           HA       GLU  16  -9.467  -4.859   5.313
  122    HB2  GLU  16           HB2      GLU  16  -9.082  -7.110   4.422
  123    HB3  GLU  16           HB1      GLU  16  -7.708  -6.519   3.498
  124    HG2  GLU  16           HG2      GLU  16  -7.027  -7.697   5.530
  125    HG3  GLU  16           HG1      GLU  16  -6.510  -6.013   5.527
  126    H    ILE  17           HN       ILE  17  -7.456  -4.220   2.459
  127    HA   ILE  17           HA       ILE  17  -5.380  -2.959   3.920
  128    HB   ILE  17           HB       ILE  17  -4.704  -2.008   1.664
  129   HG12  ILE  17          HG12      ILE  17  -5.896  -3.562  -0.171
  130   HG13  ILE  17          HG11      ILE  17  -7.244  -3.373   0.943
  131   HG21  ILE  17          HG21      ILE  17  -3.956  -4.202   0.825
  132   HG22  ILE  17          HG22      ILE  17  -5.046  -4.987   1.969
  133   HG23  ILE  17          HG23      ILE  17  -3.697  -4.013   2.559
  134   HD11  ILE  17          HD11      ILE  17  -7.105  -1.727  -0.963
  135   HD12  ILE  17          HD12      ILE  17  -5.713  -1.029  -0.135
  136   HD13  ILE  17          HD13      ILE  17  -7.291  -1.045   0.653
  137    H    LYS  18           HN       LYS  18  -8.372  -1.762   2.542
  138    HA   LYS  18           HA       LYS  18  -7.580   1.000   2.903
  139    HB2  LYS  18           HB2      LYS  18  -9.695   1.605   1.981
  140    HB3  LYS  18           HB1      LYS  18  -9.077   0.259   1.033
  141    HG2  LYS  18           HG2      LYS  18 -10.756  -1.113   1.643
  142    HG3  LYS  18           HG1      LYS  18 -10.828  -0.469   3.285
  143    HD2  LYS  18           HD2      LYS  18 -12.876   0.057   2.073
  144    HD3  LYS  18           HD1      LYS  18 -11.981   1.531   2.446
  145    HE2  LYS  18           HE2      LYS  18 -11.081   1.557   0.167
  146    HE3  LYS  18           HE1      LYS  18 -11.987   0.091  -0.206
  147    HZ1  LYS  18           HZ1      LYS  18 -13.051   2.795   0.371
  148    HZ2  LYS  18           HZ2      LYS  18 -14.029   1.415   0.419
  149    HZ3  LYS  18           HZ3      LYS  18 -13.270   1.861  -1.022
  150    H    LYS  19           HN       LYS  19  -8.352  -1.276   5.035
  151    HA   LYS  19           HA       LYS  19  -9.741   0.625   6.810
  152    HB2  LYS  19           HB2      LYS  19 -10.600  -1.917   6.002
  153    HB3  LYS  19           HB1      LYS  19  -9.995  -2.139   7.637
  154    HG2  LYS  19           HG2      LYS  19 -12.345  -1.679   7.716
  155    HG3  LYS  19           HG1      LYS  19 -11.466  -0.307   8.393
  156    HD2  LYS  19           HD2      LYS  19 -12.338   1.076   6.878
  157    HD3  LYS  19           HD1      LYS  19 -11.840   0.019   5.554
  158    HE2  LYS  19           HE2      LYS  19 -14.260   0.337   5.556
  159    HE3  LYS  19           HE1      LYS  19 -13.840  -1.342   5.888
  160    HZ1  LYS  19           HZ1      LYS  19 -14.175  -0.891   8.256
  161    HZ2  LYS  19           HZ2      LYS  19 -15.580  -0.608   7.364
  162    HZ3  LYS  19           HZ3      LYS  19 -14.644   0.690   7.898
  163    H    HIS  20           HN       HIS  20  -7.023  -1.254   6.202
  164    HA   HIS  20           HA       HIS  20  -6.166  -1.394   8.983
  165    HB2  HIS  20           HB2      HIS  20  -5.805  -3.073   6.835
  166    HB3  HIS  20           HB1      HIS  20  -4.265  -2.224   6.907
  167    HD1  HIS  20           HD1      HIS  20  -6.005  -5.066   8.286
  168    HD2  HIS  20           HD2      HIS  20  -3.082  -2.424   9.645
  169    HE1  HIS  20           HE1      HIS  20  -4.875  -6.224  10.212
  170    HE2  HIS  20           HE2      HIS  20  -3.106  -4.621  11.015
  171    H    ASN  21           HN       ASN  21  -6.203   0.863   6.659
  172    HA   ASN  21           HA       ASN  21  -3.525   1.846   6.697
  173    HB2  ASN  21           HB2      ASN  21  -4.528   3.856   5.592
  174    HB3  ASN  21           HB1      ASN  21  -4.889   2.337   4.784
  175   HD21  ASN  21          HD21      ASN  21  -6.329   4.681   4.385
  176   HD22  ASN  21          HD22      ASN  21  -7.934   4.457   4.992
  177    H    HIS  22           HN       HIS  22  -3.144   1.894   8.971
  178    HA   HIS  22           HA       HIS  22  -4.399   4.192  10.331
  179    HB2  HIS  22           HB2      HIS  22  -3.077   1.751  11.543
  180    HB3  HIS  22           HB1      HIS  22  -3.756   3.093  12.454
  181    HD1  HIS  22           HD1      HIS  22  -4.859   0.351  13.024
  182    HD2  HIS  22           HD2      HIS  22  -6.436   2.822  10.076
  183    HE1  HIS  22           HE1      HIS  22  -7.192  -0.483  12.612
  184    HE2  HIS  22           HE2      HIS  22  -8.021   0.866  10.659
  185    H    SER  23           HN       SER  23  -2.828   5.093  12.099
  186    HA   SER  23           HA       SER  23  -0.664   6.289  10.808
  187    HB2  SER  23           HB2      SER  23  -0.329   6.144  13.700
  188    HB3  SER  23           HB1      SER  23  -0.616   7.547  12.672
  189    HG   SER  23           HG       SER  23  -2.370   7.305  14.041
  190    H    LYS  24           HN       LYS  24  -0.755   3.521  13.016
  191    HA   LYS  24           HA       LYS  24   2.096   3.069  12.530
  192    HB2  LYS  24           HB2      LYS  24   1.618   1.207  14.335
  193    HB3  LYS  24           HB1      LYS  24   1.861   2.882  14.806
  194    HG2  LYS  24           HG2      LYS  24  -0.430   3.220  15.185
  195    HG3  LYS  24           HG1      LYS  24  -0.873   1.741  14.326
  196    HD2  LYS  24           HD2      LYS  24  -0.233   0.377  16.073
  197    HD3  LYS  24           HD1      LYS  24   0.896   1.564  16.724
  198    HE2  LYS  24           HE2      LYS  24  -2.051   2.094  16.718
  199    HE3  LYS  24           HE1      LYS  24  -1.318   1.110  17.984
  200    HZ1  LYS  24           HZ1      LYS  24   0.129   2.939  18.546
  201    HZ2  LYS  24           HZ2      LYS  24  -1.480   3.447  18.613
  202    HZ3  LYS  24           HZ3      LYS  24  -0.512   3.882  17.297
  203    H    SER  25           HN       SER  25  -0.070   2.533  10.587
  204    HA   SER  25           HA       SER  25   0.802  -0.085   9.767
  205    HB2  SER  25           HB2      SER  25  -2.144   0.365  10.320
  206    HB3  SER  25           HB1      SER  25  -1.432  -1.080   9.607
  207    HG   SER  25           HG       SER  25  -0.201  -0.494  11.926
  208    H    THR  26           HN       THR  26   1.252   2.349   8.638
  209    HA   THR  26           HA       THR  26  -0.682   3.036   6.661
  210    HB   THR  26           HB       THR  26   2.172   3.790   6.306
  211    HG1  THR  26           HG1      THR  26   0.517   4.628   8.478
  212   HG21  THR  26          HG21      THR  26   1.117   6.007   5.917
  213   HG22  THR  26          HG22      THR  26  -0.456   5.280   6.224
  214   HG23  THR  26          HG23      THR  26   0.500   4.756   4.840
  215    H    TRP  27           HN       TRP  27  -1.161   1.699   5.056
  216    HA   TRP  27           HA       TRP  27   1.020   0.279   3.685
  217    HB2  TRP  27           HB2      TRP  27  -1.845  -0.491   4.190
  218    HB3  TRP  27           HB1      TRP  27  -0.920  -1.231   2.891
  219    HD1  TRP  27           HD1      TRP  27   1.620  -0.861   5.360
  220    HE1  TRP  27           HE1      TRP  27   1.862  -2.945   6.847
  221    HE3  TRP  27           HE3      TRP  27  -2.821  -3.147   4.270
  222    HZ2  TRP  27           HZ2      TRP  27   0.361  -5.265   7.474
  223    HZ3  TRP  27           HZ3      TRP  27  -3.346  -5.291   5.354
  224    HH2  TRP  27           HH2      TRP  27  -1.788  -6.326   6.921
  225    H    LEU  28           HN       LEU  28   0.957   0.181   1.415
  226    HA   LEU  28           HA       LEU  28  -1.010   1.857   0.043
  227    HB2  LEU  28           HB2      LEU  28   1.682   2.626   0.564
  228    HB3  LEU  28           HB1      LEU  28   1.535   2.318  -1.153
  229    HG   LEU  28           HG       LEU  28  -0.497   4.058   0.180
  230   HD11  LEU  28          HD11      LEU  28   2.285   4.890  -0.609
  231   HD12  LEU  28          HD12      LEU  28   1.545   5.008   0.985
  232   HD13  LEU  28          HD13      LEU  28   0.950   6.009  -0.338
  233   HD21  LEU  28          HD21      LEU  28  -0.375   5.162  -2.051
  234   HD22  LEU  28          HD22      LEU  28  -0.908   3.482  -2.098
  235   HD23  LEU  28          HD23      LEU  28   0.745   3.895  -2.556
  236    H    ILE  29           HN       ILE  29  -1.427   1.225  -2.061
  237    HA   ILE  29           HA       ILE  29  -0.272  -1.366  -2.795
  238    HB   ILE  29           HB       ILE  29  -2.622  -0.022  -4.125
  239   HG12  ILE  29          HG12      ILE  29  -2.723  -2.067  -1.901
  240   HG13  ILE  29          HG11      ILE  29  -3.044  -0.348  -1.683
  241   HG21  ILE  29          HG21      ILE  29  -3.139  -2.278  -4.878
  242   HG22  ILE  29          HG22      ILE  29  -1.749  -2.903  -3.994
  243   HG23  ILE  29          HG23      ILE  29  -1.507  -1.821  -5.366
  244   HD11  ILE  29          HD11      ILE  29  -4.590  -2.127  -3.551
  245   HD12  ILE  29          HD12      ILE  29  -4.965  -0.464  -3.095
  246   HD13  ILE  29          HD13      ILE  29  -5.077  -1.754  -1.897
  247    H    LEU  30           HN       LEU  30   1.274  -1.419  -4.227
  248    HA   LEU  30           HA       LEU  30   1.319   0.575  -6.390
  249    HB2  LEU  30           HB2      LEU  30   3.717  -0.481  -4.879
  250    HB3  LEU  30           HB1      LEU  30   3.785   0.562  -6.285
  251    HG   LEU  30           HG       LEU  30   2.517   1.350  -3.663
  252   HD11  LEU  30          HD11      LEU  30   4.521   2.674  -3.279
  253   HD12  LEU  30          HD12      LEU  30   5.240   2.035  -4.757
  254   HD13  LEU  30          HD13      LEU  30   4.912   0.961  -3.398
  255   HD21  LEU  30          HD21      LEU  30   3.261   2.931  -6.121
  256   HD22  LEU  30          HD22      LEU  30   2.682   3.621  -4.605
  257   HD23  LEU  30          HD23      LEU  30   1.630   2.572  -5.554
  258    H    HIS  31           HN       HIS  31   0.969  -0.482  -8.213
  259    HA   HIS  31           HA       HIS  31   1.086  -2.030  -9.877
  260    HB2  HIS  31           HB2      HIS  31   3.561  -2.750  -8.338
  261    HB3  HIS  31           HB1      HIS  31   3.004  -3.814  -9.623
  262    HD1  HIS  31           HD1      HIS  31   3.573  -3.154 -11.991
  263    HD2  HIS  31           HD2      HIS  31   4.283  -0.109  -9.246
  264    HE1  HIS  31           HE1      HIS  31   4.828  -1.383 -13.252
  265    HE2  HIS  31           HE2      HIS  31   5.324   0.412 -11.560
  266    H    HIS  32           HN       HIS  32  -0.558  -2.359  -7.588
  267    HA   HIS  32           HA       HIS  32  -2.081  -3.807  -6.764
  268    HB2  HIS  32           HB2      HIS  32  -0.879  -5.702  -8.786
  269    HB3  HIS  32           HB1      HIS  32  -2.276  -6.097  -7.789
  270    HD1  HIS  32           HD1      HIS  32  -1.648  -5.102 -11.065
  271    HD2  HIS  32           HD2      HIS  32  -4.222  -3.672  -8.139
  272    HE1  HIS  32           HE1      HIS  32  -3.430  -3.826 -12.298
  273    HE2  HIS  32           HE2      HIS  32  -4.826  -2.777 -10.480
  274    H    LYS  33           HN       LYS  33   0.823  -3.650  -5.870
  275    HA   LYS  33           HA       LYS  33   0.864  -6.084  -4.212
  276    HB2  LYS  33           HB2      LYS  33   3.123  -4.228  -4.991
  277    HB3  LYS  33           HB1      LYS  33   3.284  -5.603  -3.910
  278    HG2  LYS  33           HG2      LYS  33   2.743  -7.125  -5.706
  279    HG3  LYS  33           HG1      LYS  33   2.446  -5.768  -6.795
  280    HD2  LYS  33           HD2      LYS  33   4.746  -5.112  -6.716
  281    HD3  LYS  33           HD1      LYS  33   5.087  -6.279  -5.439
  282    HE2  LYS  33           HE2      LYS  33   4.133  -7.046  -8.187
  283    HE3  LYS  33           HE1      LYS  33   5.834  -6.941  -7.742
  284    HZ1  LYS  33           HZ1      LYS  33   3.793  -8.767  -6.594
  285    HZ2  LYS  33           HZ2      LYS  33   5.359  -8.582  -5.969
  286    HZ3  LYS  33           HZ3      LYS  33   5.139  -9.187  -7.531
  287    H    VAL  34           HN       VAL  34   1.187  -5.859  -1.974
  288    HA   VAL  34           HA       VAL  34   0.455  -3.220  -0.943
  289    HB   VAL  34           HB       VAL  34   0.629  -5.763   0.672
  290   HG11  VAL  34          HG11      VAL  34  -0.961  -4.605   2.132
  291   HG12  VAL  34          HG12      VAL  34  -0.921  -3.204   1.059
  292   HG13  VAL  34          HG13      VAL  34   0.530  -3.684   1.936
  293   HG21  VAL  34          HG21      VAL  34  -1.748  -6.102   0.296
  294   HG22  VAL  34          HG22      VAL  34  -0.875  -6.141  -1.236
  295   HG23  VAL  34          HG23      VAL  34  -1.796  -4.708  -0.782
  296    H    TYR  35           HN       TYR  35   1.994  -1.924  -0.245
  297    HA   TYR  35           HA       TYR  35   4.462  -3.127   0.827
  298    HB2  TYR  35           HB2      TYR  35   4.026  -0.545  -0.673
  299    HB3  TYR  35           HB1      TYR  35   5.506  -0.893   0.214
  300    HD1  TYR  35           HD2      TYR  35   6.842  -2.955  -0.451
  301    HD2  TYR  35           HD1      TYR  35   3.729  -1.349  -2.867
  302    HE1  TYR  35           HE2      TYR  35   7.740  -4.154  -2.398
  303    HE2  TYR  35           HE1      TYR  35   4.618  -2.550  -4.822
  304    HH   TYR  35           HH       TYR  35   6.867  -3.476  -5.540
  305    H    ASP  36           HN       ASP  36   5.238  -2.460   2.758
  306    HA   ASP  36           HA       ASP  36   3.437  -0.876   4.421
  307    HB2  ASP  36           HB2      ASP  36   4.088  -2.872   5.515
  308    HB3  ASP  36           HB1      ASP  36   5.769  -2.691   5.024
  309    H    LEU  37           HN       LEU  37   3.820   1.161   4.969
  310    HA   LEU  37           HA       LEU  37   6.561   2.192   4.826
  311    HB2  LEU  37           HB2      LEU  37   5.861   4.178   3.645
  312    HB3  LEU  37           HB1      LEU  37   5.440   2.760   2.705
  313    HG   LEU  37           HG       LEU  37   3.322   3.823   4.481
  314   HD11  LEU  37          HD11      LEU  37   4.141   5.239   1.950
  315   HD12  LEU  37          HD12      LEU  37   4.275   5.886   3.584
  316   HD13  LEU  37          HD13      LEU  37   2.686   5.558   2.893
  317   HD21  LEU  37          HD21      LEU  37   1.911   3.196   2.619
  318   HD22  LEU  37          HD22      LEU  37   3.003   1.870   3.021
  319   HD23  LEU  37          HD23      LEU  37   3.333   2.887   1.619
  320    H    THR  38           HN       THR  38   4.594   1.441   6.956
  321    HA   THR  38           HA       THR  38   3.502   3.736   8.135
  322    HB   THR  38           HB       THR  38   2.878   1.425   8.782
  323    HG1  THR  38           HG1      THR  38   3.143   3.561  10.318
  324   HG21  THR  38          HG21      THR  38   5.411   1.420  10.416
  325   HG22  THR  38          HG22      THR  38   5.219   0.532   8.907
  326   HG23  THR  38          HG23      THR  38   4.211   0.136  10.299
  327    H    LYS  39           HN       LYS  39   6.754   2.421   8.286
  328    HA   LYS  39           HA       LYS  39   7.473   4.541  10.195
  329    HB2  LYS  39           HB2      LYS  39   8.886   1.992   9.412
  330    HB3  LYS  39           HB1      LYS  39   9.638   3.240  10.392
  331    HG2  LYS  39           HG2      LYS  39   7.148   1.708  11.123
  332    HG3  LYS  39           HG1      LYS  39   8.766   1.402  11.749
  333    HD2  LYS  39           HD2      LYS  39   8.191   2.786  13.416
  334    HD3  LYS  39           HD1      LYS  39   8.439   4.078  12.241
  335    HE2  LYS  39           HE2      LYS  39   6.080   4.043  11.663
  336    HE3  LYS  39           HE1      LYS  39   5.813   2.686  12.755
  337    HZ1  LYS  39           HZ1      LYS  39   6.284   4.053  14.618
  338    HZ2  LYS  39           HZ2      LYS  39   5.180   4.899  13.661
  339    HZ3  LYS  39           HZ3      LYS  39   6.810   5.333  13.647
  340    H    PHE  40           HN       PHE  40   7.183   4.267   7.039
  341    HA   PHE  40           HA       PHE  40   9.758   5.519   6.397
  342    HB2  PHE  40           HB2      PHE  40   8.697   3.491   5.101
  343    HB3  PHE  40           HB1      PHE  40   7.763   4.755   4.305
  344    HD1  PHE  40           HD1      PHE  40  11.303   4.046   5.249
  345    HD2  PHE  40           HD2      PHE  40   8.613   5.605   2.343
  346    HE1  PHE  40           HE1      PHE  40  13.194   4.475   3.739
  347    HE2  PHE  40           HE2      PHE  40  10.502   6.037   0.823
  348    HZ   PHE  40           HZ       PHE  40  12.798   5.472   1.521
  349    H    LEU  41           HN       LEU  41   6.661   6.350   7.203
  350    HA   LEU  41           HA       LEU  41   5.914   8.370   5.458
  351    HB2  LEU  41           HB2      LEU  41   5.533   8.204   8.446
  352    HB3  LEU  41           HB1      LEU  41   4.718   9.363   7.415
  353    HG   LEU  41           HG       LEU  41   4.440   6.396   7.001
  354   HD11  LEU  41          HD11      LEU  41   3.748   6.877   9.280
  355   HD12  LEU  41          HD12      LEU  41   2.341   6.549   8.267
  356   HD13  LEU  41          HD13      LEU  41   2.740   8.208   8.710
  357   HD21  LEU  41          HD21      LEU  41   2.301   8.326   6.364
  358   HD22  LEU  41          HD22      LEU  41   2.860   6.913   5.471
  359   HD23  LEU  41          HD23      LEU  41   3.757   8.425   5.375
  360    H    GLU  42           HN       GLU  42   7.836   8.662   8.435
  361    HA   GLU  42           HA       GLU  42   8.486  11.419   7.826
  362    HB2  GLU  42           HB2      GLU  42   9.760  11.289   9.983
  363    HB3  GLU  42           HB1      GLU  42   8.045  10.932  10.124
  364    HG2  GLU  42           HG2      GLU  42   8.462   8.599  10.315
  365    HG3  GLU  42           HG1      GLU  42  10.154   8.806   9.872
  366    H    GLU  43           HN       GLU  43   9.479   9.010   6.245
  367    HA   GLU  43           HA       GLU  43  12.301   9.832   6.197
  368    HB2  GLU  43           HB2      GLU  43  11.206   7.023   6.229
  369    HB3  GLU  43           HB1      GLU  43  12.807   7.392   5.610
  370    HG2  GLU  43           HG2      GLU  43  12.733   8.634   8.082
  371    HG3  GLU  43           HG1      GLU  43  11.900   7.098   8.332
  372    H    HIS  44           HN       HIS  44   9.642  10.116   4.646
  373    HA   HIS  44           HA       HIS  44  10.552   9.178   2.025
  374    HB2  HIS  44           HB2      HIS  44   8.268   8.539   2.847
  375    HB3  HIS  44           HB1      HIS  44   7.831  10.242   2.813
  376    HD1  HIS  44           HD1      HIS  44   7.035  11.161   0.589
  377    HD2  HIS  44           HD2      HIS  44   8.814   7.414   0.268
  378    HE1  HIS  44           HE1      HIS  44   6.638  10.388  -1.784
  379    HA   PRO  45           HA       PRO  45  11.753  13.401   1.243
  380    HB2  PRO  45           HB2      PRO  45  12.265  13.092  -1.419
  381    HB3  PRO  45           HB1      PRO  45  13.388  12.599  -0.143
  382    HG2  PRO  45           HG2      PRO  45  11.491  10.931  -1.719
  383    HG3  PRO  45           HG1      PRO  45  13.149  10.571  -1.203
  384    HD2  PRO  45           HD2      PRO  45  10.989   9.561   0.065
  385    HD3  PRO  45           HD1      PRO  45  12.504   9.940   0.907
  386    H    GLY  46           HN       GLY  46  10.096  14.781   1.315
  387    HA2  GLY  46           HA2      GLY  46   8.835  16.173  -0.382
  388    HA3  GLY  46           HA1      GLY  46   8.078  14.654  -0.842
  389    H    GLY  47           HN       GLY  47   8.248  13.943   2.138
  390    HA2  GLY  47           HA2      GLY  47   7.122  14.816   4.112
  391    HA3  GLY  47           HA1      GLY  47   5.979  15.608   3.037
  392    H    GLU  48           HN       GLU  48   4.997  14.109   5.066
  393    HA   GLU  48           HA       GLU  48   4.376  11.471   3.990
  394    HB2  GLU  48           HB2      GLU  48   3.403  10.980   6.146
  395    HB3  GLU  48           HB1      GLU  48   4.985  11.709   6.385
  396    HG2  GLU  48           HG2      GLU  48   3.956  13.835   6.920
  397    HG3  GLU  48           HG1      GLU  48   2.359  13.164   6.604
  398    H    GLU  49           HN       GLU  49   3.168  14.512   3.650
  399    HA   GLU  49           HA       GLU  49   0.400  14.184   3.993
  400    HB2  GLU  49           HB2      GLU  49   1.513  16.376   3.722
  401    HB3  GLU  49           HB1      GLU  49   1.828  15.992   2.038
  402    HG2  GLU  49           HG2      GLU  49  -0.055  17.388   2.041
  403    HG3  GLU  49           HG1      GLU  49  -0.657  15.759   1.741
  404    H    VAL  50           HN       VAL  50   2.463  13.698   1.140
  405    HA   VAL  50           HA       VAL  50   0.322  12.969  -0.585
  406    HB   VAL  50           HB       VAL  50   2.107  12.044  -2.072
  407   HG11  VAL  50          HG11      VAL  50   3.205  14.230  -2.487
  408   HG12  VAL  50          HG12      VAL  50   2.499  14.821  -0.984
  409   HG13  VAL  50          HG13      VAL  50   1.453  14.336  -2.316
  410   HG21  VAL  50          HG21      VAL  50   4.469  12.503  -1.437
  411   HG22  VAL  50          HG22      VAL  50   3.699  11.262  -0.447
  412   HG23  VAL  50          HG23      VAL  50   3.913  12.891   0.192
  413    H    LEU  51           HN       LEU  51   1.820  11.330   1.950
  414    HA   LEU  51           HA       LEU  51   1.261   8.684   0.849
  415    HB2  LEU  51           HB2      LEU  51   2.481   9.417   3.506
  416    HB3  LEU  51           HB1      LEU  51   2.437   7.823   2.780
  417    HG   LEU  51           HG       LEU  51   3.928  10.176   1.615
  418   HD11  LEU  51          HD11      LEU  51   4.846   9.441   3.786
  419   HD12  LEU  51          HD12      LEU  51   5.941   9.143   2.437
  420   HD13  LEU  51          HD13      LEU  51   5.017   7.812   3.132
  421   HD21  LEU  51          HD21      LEU  51   4.023   7.237   0.935
  422   HD22  LEU  51          HD22      LEU  51   4.966   8.521   0.179
  423   HD23  LEU  51          HD23      LEU  51   3.214   8.483  -0.018
  424    H    ARG  52           HN       ARG  52   0.163  10.891   3.367
  425    HA   ARG  52           HA       ARG  52  -1.553   8.992   4.623
  426    HB2  ARG  52           HB2      ARG  52  -2.508  10.919   5.820
  427    HB3  ARG  52           HB1      ARG  52  -0.752  10.914   5.869
  428    HG2  ARG  52           HG2      ARG  52  -0.971  13.075   5.341
  429    HG3  ARG  52           HG1      ARG  52  -1.180  12.468   3.699
  430    HD2  ARG  52           HD2      ARG  52  -2.906  14.096   4.289
  431    HD3  ARG  52           HD1      ARG  52  -3.595  12.505   3.973
  432    HE   ARG  52           HE       ARG  52  -4.266  12.379   6.165
  433   HH11  ARG  52          HH11      ARG  52  -2.042  15.092   5.741
  434   HH12  ARG  52          HH12      ARG  52  -2.375  15.745   7.394
  435   HH21  ARG  52          HH21      ARG  52  -4.681  13.182   8.261
  436   HH22  ARG  52          HH22      ARG  52  -3.833  14.680   8.798
  437    H    GLU  53           HN       GLU  53  -1.868  10.980   1.822
  438    HA   GLU  53           HA       GLU  53  -4.762  10.858   1.815
  439    HB2  GLU  53           HB2      GLU  53  -4.522  11.909  -0.458
  440    HB3  GLU  53           HB1      GLU  53  -3.836  12.838   0.867
  441    HG2  GLU  53           HG2      GLU  53  -1.665  12.423   0.208
  442    HG3  GLU  53           HG1      GLU  53  -2.114  10.989  -0.712
  443    H    GLN  54           HN       GLN  54  -2.158   8.930   0.694
  444    HA   GLN  54           HA       GLN  54  -3.975   7.410  -1.058
  445    HB2  GLN  54           HB2      GLN  54  -0.953   7.443  -1.015
  446    HB3  GLN  54           HB1      GLN  54  -1.954   6.508  -2.116
  447    HG2  GLN  54           HG2      GLN  54  -1.918   9.511  -1.954
  448    HG3  GLN  54           HG1      GLN  54  -1.030   8.554  -3.133
  449   HE21  GLN  54          HE21      GLN  54  -3.124  10.574  -3.482
  450   HE22  GLN  54          HE22      GLN  54  -4.377   9.790  -4.391
  451    H    ALA  55           HN       ALA  55  -3.053   7.387   1.995
  452    HA   ALA  55           HA       ALA  55  -1.980   4.810   2.437
  453    HB1  ALA  55           HB1      ALA  55  -3.590   6.539   4.311
  454    HB2  ALA  55           HB2      ALA  55  -1.839   6.607   4.092
  455    HB3  ALA  55           HB3      ALA  55  -2.591   5.160   4.770
  456    H    GLY  56           HN       GLY  56  -2.945   2.958   1.978
  457    HA2  GLY  56           HA2      GLY  56  -4.591   1.309   2.381
  458    HA3  GLY  56           HA1      GLY  56  -5.736   2.583   2.769
  459    H    GLY  57           HN       GLY  57  -4.006   3.321  -0.019
  460    HA2  GLY  57           HA2      GLY  57  -6.030   2.053  -1.741
  461    HA3  GLY  57           HA1      GLY  57  -5.718   3.779  -1.869
  462    H    ASP  58           HN       ASP  58  -5.406   2.747  -4.136
  463    HA   ASP  58           HA       ASP  58  -2.667   1.784  -4.502
  464    HB2  ASP  58           HB2      ASP  58  -4.605   0.606  -5.610
  465    HB3  ASP  58           HB1      ASP  58  -4.847   2.055  -6.580
  466    H    ALA  59           HN       ALA  59  -1.116   3.131  -5.068
  467    HA   ALA  59           HA       ALA  59  -1.887   5.654  -6.377
  468    HB1  ALA  59           HB1      ALA  59  -0.004   6.738  -5.233
  469    HB2  ALA  59           HB2      ALA  59   0.316   5.238  -4.365
  470    HB3  ALA  59           HB3      ALA  59  -1.196   6.102  -4.101
  471    H    THR  60           HN       THR  60  -1.031   3.036  -7.516
  472    HA   THR  60           HA       THR  60   1.625   3.133  -8.418
  473    HB   THR  60           HB       THR  60  -0.713   2.074 -10.024
  474    HG1  THR  60           HG1      THR  60  -0.917   1.063  -8.078
  475   HG21  THR  60          HG21      THR  60   2.190   1.246  -9.901
  476   HG22  THR  60          HG22      THR  60   1.430   2.147 -11.211
  477   HG23  THR  60          HG23      THR  60   0.943   0.485 -10.887
  478    H    GLU  61           HN       GLU  61  -1.269   4.724  -9.452
  479    HA   GLU  61           HA       GLU  61  -0.539   5.740 -11.934
  480    HB2  GLU  61           HB2      GLU  61  -2.112   7.698 -11.080
  481    HB3  GLU  61           HB1      GLU  61  -2.759   6.106 -11.465
  482    HG2  GLU  61           HG2      GLU  61  -3.258   5.641  -9.313
  483    HG3  GLU  61           HG1      GLU  61  -1.838   6.475  -8.690
  484    H    ASN  62           HN       ASN  62  -0.204   7.222  -8.724
  485    HA   ASN  62           HA       ASN  62   1.210   9.506  -9.670
  486    HB2  ASN  62           HB2      ASN  62   0.246   8.469  -7.107
  487    HB3  ASN  62           HB1      ASN  62   1.785   9.321  -6.975
  488   HD21  ASN  62          HD21      ASN  62  -1.590   9.609  -7.920
  489   HD22  ASN  62          HD22      ASN  62  -1.637  11.341  -7.872
  490    H    PHE  63           HN       PHE  63   2.089   6.369  -8.462
  491    HA   PHE  63           HA       PHE  63   4.780   6.740  -7.858
  492    HB2  PHE  63           HB2      PHE  63   3.400   4.694  -7.416
  493    HB3  PHE  63           HB1      PHE  63   3.528   4.294  -9.123
  494    HD1  PHE  63           HD2      PHE  63   5.316   4.502  -5.938
  495    HD2  PHE  63           HD1      PHE  63   5.577   3.412 -10.045
  496    HE1  PHE  63           HE2      PHE  63   7.390   3.257  -5.474
  497    HE2  PHE  63           HE1      PHE  63   7.650   2.166  -9.588
  498    HZ   PHE  63           HZ       PHE  63   8.558   2.085  -7.300
  499    H    GLU  64           HN       GLU  64   3.277   5.785 -10.941
  500    HA   GLU  64           HA       GLU  64   5.799   5.899 -12.342
  501    HB2  GLU  64           HB2      GLU  64   4.400   5.390 -14.349
  502    HB3  GLU  64           HB1      GLU  64   4.234   4.223 -13.042
  503    HG2  GLU  64           HG2      GLU  64   2.155   5.388 -12.348
  504    HG3  GLU  64           HG1      GLU  64   2.303   6.408 -13.777
  505    H    ASP  65           HN       ASP  65   3.200   8.055 -11.674
  506    HA   ASP  65           HA       ASP  65   3.513   9.833 -13.853
  507    HB2  ASP  65           HB2      ASP  65   1.544   9.758 -12.284
  508    HB3  ASP  65           HB1      ASP  65   2.557  10.532 -11.071
  509    H    VAL  66           HN       VAL  66   4.859   9.734 -10.598
  510    HA   VAL  66           HA       VAL  66   6.485  12.081 -11.050
  511    HB   VAL  66           HB       VAL  66   6.411  10.127  -8.743
  512   HG11  VAL  66          HG11      VAL  66   8.602  11.380  -9.145
  513   HG12  VAL  66          HG12      VAL  66   7.871  11.511  -7.548
  514   HG13  VAL  66          HG13      VAL  66   7.706  12.832  -8.702
  515   HG21  VAL  66          HG21      VAL  66   4.378  11.533  -9.128
  516   HG22  VAL  66          HG22      VAL  66   5.389  12.955  -8.868
  517   HG23  VAL  66          HG23      VAL  66   5.163  11.785  -7.569
  518    H    GLY  67           HN       GLY  67   7.063   8.609 -10.525
  519    HA2  GLY  67           HA2      GLY  67   8.671   7.398 -11.825
  520    HA3  GLY  67           HA1      GLY  67   9.579   8.892 -12.021
  521    H    HIS  68           HN       HIS  68   9.924   6.032 -10.722
  522    HA   HIS  68           HA       HIS  68  11.321   7.056  -8.339
  523    HB2  HIS  68           HB2      HIS  68   9.651   4.590  -8.678
  524    HB3  HIS  68           HB1      HIS  68  10.970   4.601  -7.513
  525    HD1  HIS  68           HD1      HIS  68   7.820   6.635  -8.267
  526    HD2  HIS  68           HD2      HIS  68  10.310   5.596  -5.100
  527    HE1  HIS  68           HE1      HIS  68   6.729   7.548  -6.176
  528    H    SER  69           HN       SER  69  13.386   6.446  -8.054
  529    HA   SER  69           HA       SER  69  14.883   5.524 -10.239
  530    HB2  SER  69           HB2      SER  69  15.673   5.541  -7.316
  531    HB3  SER  69           HB1      SER  69  16.768   5.536  -8.701
  532    HG   SER  69           HG       SER  69  15.106   7.594  -7.720
  533    H    THR  70           HN       THR  70  16.146   3.607 -10.465
  534    HA   THR  70           HA       THR  70  14.741   1.222 -10.153
  535    HB   THR  70           HB       THR  70  17.512   0.615 -10.324
  536    HG1  THR  70           HG1      THR  70  18.028   2.704 -10.833
  537   HG21  THR  70          HG21      THR  70  15.387   0.858 -12.458
  538   HG22  THR  70          HG22      THR  70  15.729  -0.577 -11.487
  539   HG23  THR  70          HG23      THR  70  16.928   0.021 -12.637
  540    H    ASP  71           HN       ASP  71  17.283   2.662  -8.152
  541    HA   ASP  71           HA       ASP  71  17.618   0.426  -6.444
  542    HB2  ASP  71           HB2      ASP  71  19.322   2.155  -6.598
  543    HB3  ASP  71           HB1      ASP  71  18.196   3.357  -5.978
  544    H    ALA  72           HN       ALA  72  15.464   3.179  -6.421
  545    HA   ALA  72           HA       ALA  72  14.510   2.957  -3.792
  546    HB1  ALA  72           HB1      ALA  72  13.108   4.043  -6.232
  547    HB2  ALA  72           HB2      ALA  72  14.140   4.951  -5.126
  548    HB3  ALA  72           HB3      ALA  72  12.605   4.295  -4.560
  549    H    ARG  73           HN       ARG  73  13.221   1.643  -6.844
  550    HA   ARG  73           HA       ARG  73  11.046   0.313  -5.601
  551    HB2  ARG  73           HB2      ARG  73  10.893  -0.968  -7.762
  552    HB3  ARG  73           HB1      ARG  73  10.823   0.779  -7.922
  553    HG2  ARG  73           HG2      ARG  73  12.423   0.644  -9.439
  554    HG3  ARG  73           HG1      ARG  73  13.526   0.111  -8.169
  555    HD2  ARG  73           HD2      ARG  73  13.476  -1.420 -10.098
  556    HD3  ARG  73           HD1      ARG  73  12.970  -2.198  -8.596
  557    HE   ARG  73           HE       ARG  73  10.942  -1.157 -10.448
  558   HH11  ARG  73          HH11      ARG  73  12.559  -3.900  -8.917
  559   HH12  ARG  73          HH12      ARG  73  11.203  -5.035  -9.295
  560   HH21  ARG  73          HH21      ARG  73   9.236  -2.576 -10.968
  561   HH22  ARG  73          HH22      ARG  73   9.349  -4.302 -10.443
  562    H    GLU  74           HN       GLU  74  14.381  -0.572  -6.161
  563    HA   GLU  74           HA       GLU  74  13.982  -3.357  -5.612
  564    HB2  GLU  74           HB2      GLU  74  16.406  -1.600  -5.847
  565    HB3  GLU  74           HB1      GLU  74  16.550  -3.257  -5.274
  566    HG2  GLU  74           HG2      GLU  74  15.746  -2.248  -7.968
  567    HG3  GLU  74           HG1      GLU  74  16.971  -3.444  -7.538
  568    H    LEU  75           HN       LEU  75  14.778  -0.511  -3.751
  569    HA   LEU  75           HA       LEU  75  15.457  -1.861  -1.342
  570    HB2  LEU  75           HB2      LEU  75  16.169   0.413  -1.698
  571    HB3  LEU  75           HB1      LEU  75  14.517   0.955  -1.899
  572    HG   LEU  75           HG       LEU  75  14.095   0.377   0.497
  573   HD11  LEU  75          HD11      LEU  75  16.070   0.097   1.954
  574   HD12  LEU  75          HD12      LEU  75  17.076  -0.058   0.512
  575   HD13  LEU  75          HD13      LEU  75  15.830  -1.260   0.850
  576   HD21  LEU  75          HD21      LEU  75  15.187   2.337   1.378
  577   HD22  LEU  75          HD22      LEU  75  14.643   2.661  -0.270
  578   HD23  LEU  75          HD23      LEU  75  16.346   2.326   0.048
  579    H    SER  76           HN       SER  76  12.506  -0.893  -2.864
  580    HA   SER  76           HA       SER  76  10.821  -1.072  -0.581
  581    HB2  SER  76           HB2      SER  76  10.081  -1.293  -3.508
  582    HB3  SER  76           HB1      SER  76   8.978  -0.944  -2.175
  583    HG   SER  76           HG       SER  76  11.200   0.675  -2.913
  584    H    LYS  77           HN       LYS  77  12.444  -3.415  -2.317
  585    HA   LYS  77           HA       LYS  77  10.541  -5.490  -2.453
  586    HB2  LYS  77           HB2      LYS  77  12.865  -5.308  -3.567
  587    HB3  LYS  77           HB1      LYS  77  13.482  -5.963  -2.058
  588    HG2  LYS  77           HG2      LYS  77  11.918  -7.898  -2.371
  589    HG3  LYS  77           HG1      LYS  77  11.569  -7.265  -3.981
  590    HD2  LYS  77           HD2      LYS  77  14.027  -7.372  -4.457
  591    HD3  LYS  77           HD1      LYS  77  14.225  -8.208  -2.916
  592    HE2  LYS  77           HE2      LYS  77  12.541  -9.891  -3.753
  593    HE3  LYS  77           HE1      LYS  77  12.694  -9.126  -5.334
  594    HZ1  LYS  77           HZ1      LYS  77  14.155 -10.969  -5.270
  595    HZ2  LYS  77           HZ2      LYS  77  14.820 -10.500  -3.790
  596    HZ3  LYS  77           HZ3      LYS  77  15.121  -9.588  -5.182
  597    H    THR  78           HN       THR  78  12.167  -4.097   0.211
  598    HA   THR  78           HA       THR  78  11.744  -6.485   1.843
  599    HB   THR  78           HB       THR  78  13.922  -5.205   1.975
  600    HG1  THR  78           HG1      THR  78  12.502  -5.375   4.441
  601   HG21  THR  78          HG21      THR  78  12.927  -2.933   1.952
  602   HG22  THR  78          HG22      THR  78  14.002  -3.195   3.328
  603   HG23  THR  78          HG23      THR  78  12.252  -3.240   3.550
  604    H    PHE  79           HN       PHE  79   9.959  -3.944   0.864
  605    HA   PHE  79           HA       PHE  79   8.586  -3.602   3.442
  606    HB2  PHE  79           HB2      PHE  79   8.597  -1.941   0.923
  607    HB3  PHE  79           HB1      PHE  79   7.422  -1.693   2.210
  608    HD1  PHE  79           HD2      PHE  79   8.992  -1.971   4.625
  609    HD2  PHE  79           HD1      PHE  79  10.013  -0.133   0.930
  610    HE1  PHE  79           HE2      PHE  79  10.585  -0.513   5.796
  611    HE2  PHE  79           HE1      PHE  79  11.613   1.327   2.095
  612    HZ   PHE  79           HZ       PHE  79  11.901   1.140   4.533
  613    H    ILE  80           HN       ILE  80   8.420  -5.543   0.848
  614    HA   ILE  80           HA       ILE  80   5.579  -5.417   0.364
  615    HB   ILE  80           HB       ILE  80   7.037  -6.009  -1.490
  616   HG12  ILE  80          HG12      ILE  80   5.972  -8.311  -2.044
  617   HG13  ILE  80          HG11      ILE  80   5.115  -8.098  -0.520
  618   HG21  ILE  80          HG21      ILE  80   8.854  -7.074  -0.327
  619   HG22  ILE  80          HG22      ILE  80   8.213  -8.169  -1.555
  620   HG23  ILE  80          HG23      ILE  80   7.809  -8.414   0.145
  621   HD11  ILE  80          HD11      ILE  80   3.845  -7.361  -2.509
  622   HD12  ILE  80          HD12      ILE  80   5.066  -6.114  -2.775
  623   HD13  ILE  80          HD13      ILE  80   4.088  -6.094  -1.306
  624    H    ILE  81           HN       ILE  81   4.111  -6.330   1.612
  625    HA   ILE  81           HA       ILE  81   4.930  -8.610   3.290
  626    HB   ILE  81           HB       ILE  81   3.112  -8.027   4.836
  627   HG12  ILE  81          HG12      ILE  81   1.914  -6.681   2.878
  628   HG13  ILE  81          HG11      ILE  81   1.644  -6.284   4.568
  629   HG21  ILE  81          HG21      ILE  81   5.062  -5.788   4.324
  630   HG22  ILE  81          HG22      ILE  81   5.356  -7.241   5.282
  631   HG23  ILE  81          HG23      ILE  81   4.171  -6.049   5.825
  632   HD11  ILE  81          HD11      ILE  81   3.416  -4.530   4.333
  633   HD12  ILE  81          HD12      ILE  81   1.950  -4.255   3.393
  634   HD13  ILE  81          HD13      ILE  81   3.408  -4.855   2.601
  635    H    GLY  82           HN       GLY  82   3.133  -7.796   0.612
  636    HA2  GLY  82           HA2      GLY  82   2.159 -10.278   0.074
  637    HA3  GLY  82           HA1      GLY  82   0.902  -9.545   1.058
  638    H    GLU  83           HN       GLU  83  -0.230 -10.050  -1.036
  639    HA   GLU  83           HA       GLU  83  -0.119  -7.675  -2.763
  640    HB2  GLU  83           HB2      GLU  83  -0.261 -10.563  -3.599
  641    HB3  GLU  83           HB1      GLU  83  -0.833  -9.273  -4.646
  642    HG2  GLU  83           HG2      GLU  83   1.516  -8.263  -4.285
  643    HG3  GLU  83           HG1      GLU  83   1.950  -9.890  -3.760
  644    H    LEU  84           HN       LEU  84  -2.187  -7.756  -4.237
  645    HA   LEU  84           HA       LEU  84  -4.428  -7.807  -2.407
  646    HB2  LEU  84           HB2      LEU  84  -3.763  -6.499  -4.921
  647    HB3  LEU  84           HB1      LEU  84  -5.392  -7.144  -4.930
  648    HG   LEU  84           HG       LEU  84  -5.300  -4.778  -4.235
  649   HD11  LEU  84          HD11      LEU  84  -6.705  -4.997  -2.260
  650   HD12  LEU  84          HD12      LEU  84  -6.179  -6.668  -2.063
  651   HD13  LEU  84          HD13      LEU  84  -7.123  -6.202  -3.478
  652   HD21  LEU  84          HD21      LEU  84  -3.107  -4.857  -3.120
  653   HD22  LEU  84          HD22      LEU  84  -3.819  -5.807  -1.817
  654   HD23  LEU  84          HD23      LEU  84  -4.357  -4.152  -2.096
  655    H    HIS  85           HN       HIS  85  -6.374  -8.900  -2.798
  656    HA   HIS  85           HA       HIS  85  -6.127 -11.586  -3.548
  657    HB2  HIS  85           HB2      HIS  85  -8.308  -9.801  -2.707
  658    HB3  HIS  85           HB1      HIS  85  -8.831 -11.109  -3.763
  659    HD1  HIS  85           HD1      HIS  85  -9.726 -12.937  -2.363
  660    HD2  HIS  85           HD2      HIS  85  -6.394 -11.155  -0.630
  661    HE1  HIS  85           HE1      HIS  85  -9.281 -14.240  -0.263
  662    HE2  HIS  85           HE2      HIS  85  -7.349 -13.057   0.843
  663    HA   PRO  86           HA       PRO  86  -6.391 -11.701  -7.952
  664    HB2  PRO  86           HB2      PRO  86  -8.123 -13.869  -8.216
  665    HB3  PRO  86           HB1      PRO  86  -6.368 -13.980  -8.037
  666    HG2  PRO  86           HG2      PRO  86  -8.496 -14.314  -5.987
  667    HG3  PRO  86           HG1      PRO  86  -6.951 -15.170  -6.165
  668    HD2  PRO  86           HD2      PRO  86  -7.291 -13.271  -4.311
  669    HD3  PRO  86           HD1      PRO  86  -5.745 -13.475  -5.163
  670    H    ASP  87           HN       ASP  87  -9.395 -11.986  -6.126
  671    HA   ASP  87           HA       ASP  87 -11.132 -11.285  -8.257
  672    HB2  ASP  87           HB2      ASP  87 -11.766 -10.839  -5.345
  673    HB3  ASP  87           HB1      ASP  87 -12.861 -11.263  -6.656
  674    H    ASP  88           HN       ASP  88  -9.280  -9.457  -5.974
  675    HA   ASP  88           HA       ASP  88 -10.646  -6.966  -6.628
  676    HB2  ASP  88           HB2      ASP  88  -8.371  -7.592  -4.730
  677    HB3  ASP  88           HB1      ASP  88  -9.028  -5.980  -4.976
  678    H    ARG  89           HN       ARG  89  -8.364  -8.827  -8.019
  679    HA   ARG  89           HA       ARG  89  -6.756  -6.565  -8.971
  680    HB2  ARG  89           HB2      ARG  89  -5.607  -8.534  -7.886
  681    HB3  ARG  89           HB1      ARG  89  -6.128  -9.502  -9.261
  682    HG2  ARG  89           HG2      ARG  89  -4.902  -7.900 -10.738
  683    HG3  ARG  89           HG1      ARG  89  -4.250  -7.147  -9.281
  684    HD2  ARG  89           HD2      ARG  89  -3.816  -9.950 -10.278
  685    HD3  ARG  89           HD1      ARG  89  -2.616  -8.685 -10.031
  686    HE   ARG  89           HE       ARG  89  -4.095  -9.745  -7.731
  687   HH11  ARG  89          HH11      ARG  89  -1.066  -9.290  -9.474
  688   HH12  ARG  89          HH12      ARG  89  -0.063  -9.865  -8.086
  689   HH21  ARG  89          HH21      ARG  89  -2.839 -10.463  -5.956
  690   HH22  ARG  89          HH22      ARG  89  -1.037 -10.534  -6.154
  691    H    SER  90           HN       SER  90  -8.285  -9.568 -10.140
  692    HA   SER  90           HA       SER  90  -8.820  -8.197 -12.683
  693    HB2  SER  90           HB2      SER  90  -8.188 -11.094 -12.828
  694    HB3  SER  90           HB1      SER  90  -7.845  -9.805 -13.981
  695    HG   SER  90           HG       SER  90  -5.967 -10.682 -12.909
  696    H    LYS  91           HN       LYS  91 -10.896  -7.995 -11.456
  697    HA   LYS  91           HA       LYS  91 -12.821  -9.779 -12.457
  698    HB2  LYS  91           HB2      LYS  91 -11.846 -11.205 -10.615
  699    HB3  LYS  91           HB1      LYS  91 -12.447 -10.022  -9.464
  700    HG2  LYS  91           HG2      LYS  91 -14.694 -10.509  -9.985
  701    HG3  LYS  91           HG1      LYS  91 -14.239 -11.422 -11.423
  702    HD2  LYS  91           HD2      LYS  91 -13.454 -12.231  -8.630
  703    HD3  LYS  91           HD1      LYS  91 -14.924 -12.797  -9.423
  704    HE2  LYS  91           HE2      LYS  91 -12.087 -13.236 -10.353
  705    HE3  LYS  91           HE1      LYS  91 -13.169 -14.444  -9.667
  706    HZ1  LYS  91           HZ1      LYS  91 -14.656 -14.037 -11.595
  707    HZ2  LYS  91           HZ2      LYS  91 -13.162 -14.693 -12.018
  708    HZ3  LYS  91           HZ3      LYS  91 -13.464 -13.050 -12.271
  709    H    LEU  92           HN       LEU  92 -12.370  -7.920  -9.447
  710    HA   LEU  92           HA       LEU  92 -13.516  -6.201  -8.515
  711    HB2  LEU  92           HB2      LEU  92 -13.001  -5.511 -11.256
  712    HB3  LEU  92           HB1      LEU  92 -14.515  -4.791 -10.746
  713    HG   LEU  92           HG       LEU  92 -12.624  -3.258 -10.435
  714   HD11  LEU  92          HD11      LEU  92 -13.090  -2.625  -8.142
  715   HD12  LEU  92          HD12      LEU  92 -13.788  -4.213  -7.824
  716   HD13  LEU  92          HD13      LEU  92 -14.575  -3.116  -8.958
  717   HD21  LEU  92          HD21      LEU  92 -11.611  -5.304  -8.468
  718   HD22  LEU  92          HD22      LEU  92 -10.926  -3.703  -8.753
  719   HD23  LEU  92          HD23      LEU  92 -10.883  -4.922 -10.029
  720    H    SER  93           HN       SER  93 -15.026  -8.569  -8.900
  721    HA   SER  93           HA       SER  93 -17.708  -7.492  -9.430
  722    HB2  SER  93           HB2      SER  93 -16.994 -10.418  -9.233
  723    HB3  SER  93           HB1      SER  93 -18.426  -9.690  -9.963
  724    HG   SER  93           HG       SER  93 -16.316  -8.655 -11.180
  725    H    LYS  94           HN       LYS  94 -17.046  -6.556  -7.181
  726    HA   LYS  94           HA       LYS  94 -18.272  -8.282  -5.149
  727    HB2  LYS  94           HB2      LYS  94 -15.689  -6.751  -4.935
  728    HB3  LYS  94           HB1      LYS  94 -16.634  -7.156  -3.510
  729    HG2  LYS  94           HG2      LYS  94 -16.313  -9.463  -3.818
  730    HG3  LYS  94           HG1      LYS  94 -15.739  -9.243  -5.473
  731    HD2  LYS  94           HD2      LYS  94 -13.891  -9.743  -3.945
  732    HD3  LYS  94           HD1      LYS  94 -13.729  -8.131  -4.642
  733    HE2  LYS  94           HE2      LYS  94 -14.722  -7.192  -2.567
  734    HE3  LYS  94           HE1      LYS  94 -14.734  -8.816  -1.881
  735    HZ1  LYS  94           HZ1      LYS  94 -12.794  -7.432  -1.224
  736    HZ2  LYS  94           HZ2      LYS  94 -12.277  -7.450  -2.847
  737    HZ3  LYS  94           HZ3      LYS  94 -12.377  -8.894  -1.969
  738    HA   PRO  95           HA       PRO  95 -20.658  -4.591  -4.531
  739    HB2  PRO  95           HB2      PRO  95 -21.892  -5.270  -2.223
  740    HB3  PRO  95           HB1      PRO  95 -22.328  -5.997  -3.775
  741    HG2  PRO  95           HG2      PRO  95 -20.654  -7.117  -1.585
  742    HG3  PRO  95           HG1      PRO  95 -21.836  -7.931  -2.625
  743    HD2  PRO  95           HD2      PRO  95 -19.130  -8.070  -3.009
  744    HD3  PRO  95           HD1      PRO  95 -20.326  -8.267  -4.304
  745    H    MET  96           HN       MET  96 -20.436  -2.672  -3.427
  746    HA   MET  96           HA       MET  96 -18.361  -2.641  -1.350
  747    HB2  MET  96           HB2      MET  96 -17.832  -1.328  -3.347
  748    HB3  MET  96           HB1      MET  96 -19.321  -0.415  -3.158
  749    HG2  MET  96           HG2      MET  96 -18.537   0.605  -1.156
  750    HG3  MET  96           HG1      MET  96 -17.139  -0.463  -1.092
  751    HE1  MET  96           HE1      MET  96 -18.863   2.515  -2.951
  752    HE2  MET  96           HE2      MET  96 -18.625   1.371  -4.271
  753    HE3  MET  96           HE3      MET  96 -17.702   2.875  -4.229
  754    H    GLU  97           HN       GLU  97 -21.245  -0.723  -2.218
  755    HA   GLU  97           HA       GLU  97 -22.933   0.157  -0.984
  756    HB2  GLU  97           HB2      GLU  97 -23.192  -2.119  -0.040
  757    HB3  GLU  97           HB1      GLU  97 -22.029  -1.715   1.217
  758    HG2  GLU  97           HG2      GLU  97 -23.736   0.284   1.602
  759    HG3  GLU  97           HG1      GLU  97 -24.853  -0.886   0.898
  760    H    THR  98           HN       THR  98 -22.835   2.166  -0.319
  761    HA   THR  98           HA       THR  98 -21.596   2.977   2.093
  762    HB   THR  98           HB       THR  98 -19.579   2.703   0.601
  763    HG1  THR  98           HG1      THR  98 -19.165   4.028   2.248
  764   HG21  THR  98          HG21      THR  98 -20.744   5.110  -0.809
  765   HG22  THR  98          HG22      THR  98 -20.574   3.495  -1.495
  766   HG23  THR  98          HG23      THR  98 -19.140   4.429  -1.076
  767    H    LEU  99           HN       LEU  99 -21.492   5.532   2.113
  768    HA   LEU  99           HA       LEU  99 -22.723   7.445   2.141
  769    HB2  LEU  99           HB2      LEU  99 -23.234   6.589  -0.707
  770    HB3  LEU  99           HB1      LEU  99 -23.691   8.154  -0.064
  771    HG   LEU  99           HG       LEU  99 -20.852   7.133  -0.174
  772   HD11  LEU  99          HD11      LEU  99 -21.763   7.433  -2.427
  773   HD12  LEU  99          HD12      LEU  99 -20.553   8.660  -2.052
  774   HD13  LEU  99          HD13      LEU  99 -22.266   9.069  -2.004
  775   HD21  LEU  99          HD21      LEU  99 -21.233   8.786   1.568
  776   HD22  LEU  99          HD22      LEU  99 -22.000   9.861   0.398
  777   HD23  LEU  99          HD23      LEU  99 -20.284   9.477   0.251
  778    H    ILE 100           HN       ILE 100 -23.995   5.650   3.496
  779    HA   ILE 100           HA       ILE 100 -26.806   5.802   2.614
  780    HB   ILE 100           HB       ILE 100 -27.205   3.738   3.953
  781   HG12  ILE 100          HG12      ILE 100 -24.200   3.412   3.933
  782   HG13  ILE 100          HG11      ILE 100 -25.081   4.036   5.324
  783   HG21  ILE 100          HG21      ILE 100 -25.305   3.592   1.625
  784   HG22  ILE 100          HG22      ILE 100 -27.065   3.481   1.598
  785   HG23  ILE 100          HG23      ILE 100 -26.111   2.183   2.309
  786   HD11  ILE 100          HD11      ILE 100 -24.600   1.679   5.584
  787   HD12  ILE 100          HD12      ILE 100 -25.438   1.324   4.072
  788   HD13  ILE 100          HD13      ILE 100 -26.338   1.947   5.455
  789    H    THR 101           HN       THR 101 -24.964   7.457   4.461
  790    HA   THR 101           HA       THR 101 -26.922   7.638   6.623
  791    HB   THR 101           HB       THR 101 -23.961   7.705   7.210
  792    HG1  THR 101           HG1      THR 101 -25.772   5.555   7.064
  793   HG21  THR 101          HG21      THR 101 -24.813   7.275   9.538
  794   HG22  THR 101          HG22      THR 101 -26.444   7.539   8.920
  795   HG23  THR 101          HG23      THR 101 -25.260   8.843   8.869
  796    H    THR 102           HN       THR 102 -27.271   9.670   7.387
  797    HA   THR 102           HA       THR 102 -26.454  11.878   5.798
  798    HB   THR 102           HB       THR 102 -27.572  12.782   8.235
  799    HG1  THR 102           HG1      THR 102 -29.188  11.352   8.652
  800   HG21  THR 102          HG21      THR 102 -28.048  13.716   6.029
  801   HG22  THR 102          HG22      THR 102 -29.546  13.238   6.829
  802   HG23  THR 102          HG23      THR 102 -28.863  12.226   5.556
  803    H    VAL 103           HN       VAL 103 -24.326  12.455   5.932
  804    HA   VAL 103           HA       VAL 103 -23.186  12.837   8.623
  805    HB   VAL 103           HB       VAL 103 -20.947  12.694   7.499
  806   HG11  VAL 103          HG11      VAL 103 -22.731  10.274   7.267
  807   HG12  VAL 103          HG12      VAL 103 -21.868  10.803   8.714
  808   HG13  VAL 103          HG13      VAL 103 -20.968  10.251   7.299
  809   HG21  VAL 103          HG21      VAL 103 -20.837  11.649   5.282
  810   HG22  VAL 103          HG22      VAL 103 -21.634  13.222   5.231
  811   HG23  VAL 103          HG23      VAL 103 -22.592  11.742   5.158
  812    H    ASP 104           HN       ASP 104 -24.729  14.635   6.586
  813    HA   ASP 104           HA       ASP 104 -22.820  16.761   6.123
  814    HB2  ASP 104           HB2      ASP 104 -24.640  17.948   5.065
  815    HB3  ASP 104           HB1      ASP 104 -24.659  16.282   4.501
  816    HHB  HEM 400           HB       HEM 400  11.103   4.758  -1.560
  817    HHC  HEM 400           HC       HEM 400   4.832   4.861  -2.296
  818    HHD  HEM 400           HD       HEM 400   5.217  10.715  -4.692
  819    HMA  HEM 400          HMA1      HEM 400  13.391   5.152  -2.553
  820   HMAA  HEM 400          HMA2      HEM 400  13.299   5.935  -0.976
  821   HMAB  HEM 400          HMA3      HEM 400  14.350   6.596  -2.225
  822    HAA  HEM 400          HAA1      HEM 400  14.204   9.091  -2.578
  823   HAAA  HEM 400          HAA2      HEM 400  13.414   9.802  -3.978
  824    HBA  HEM 400          HBA1      HEM 400  14.207   7.010  -4.412
  825   HBAA  HEM 400          HBA2      HEM 400  15.570   8.072  -4.062
  826    HMB  HEM 400          HMB1      HEM 400   9.609   2.060  -1.551
  827   HMBA  HEM 400          HMB2      HEM 400   8.822   2.343   0.010
  828   HMBB  HEM 400          HMB3      HEM 400  10.307   3.200  -0.414
  829    HAB  HEM 400           HAB      HEM 400   6.380   1.915  -1.702
  830    HBB  HEM 400          HBB1      HEM 400   5.166   3.933   0.351
  831   HBBA  HEM 400          HBB2      HEM 400   4.640   2.120  -0.013
  832    HMC  HEM 400          HMC1      HEM 400   1.921   7.012  -2.802
  833   HMCA  HEM 400          HMC2      HEM 400   2.902   5.580  -2.475
  834   HMCB  HEM 400          HMC3      HEM 400   2.415   5.973  -4.125
  835    HAC  HEM 400           HAC      HEM 400   3.011   9.776  -5.221
  836    HBC  HEM 400          HBC1      HEM 400   1.600   8.977  -2.546
  837   HBCA  HEM 400          HBC2      HEM 400   0.950  10.102  -3.961
  838    HMD  HEM 400          HMD1      HEM 400   6.790  13.432  -4.557
  839   HMDA  HEM 400          HMD2      HEM 400   5.980  12.378  -5.715
  840   HMDB  HEM 400          HMD3      HEM 400   7.453  13.239  -6.168
  841    HAD  HEM 400          HAD1      HEM 400   9.557  13.553  -5.141
  842   HADA  HEM 400          HAD2      HEM 400  10.870  12.622  -4.442
  843    HBD  HEM 400          HBD1      HEM 400  10.009  11.807  -7.163
  844   HBDA  HEM 400          HBD2      HEM 400  11.630  11.913  -6.476
  845    HHA  HEM 400           HA       HEM 400  11.527  10.477  -4.239
  Start of MODEL   12
    1    H1   MET   1           HT1      MET   1  19.674 -14.282  16.769
    2    H2   MET   1           HT2      MET   1  21.163 -14.273  17.572
    3    H3   MET   1           HT3      MET   1  20.727 -12.975  16.586
    4    HA   MET   1           HA       MET   1  19.359 -13.782  19.078
    5    HB2  MET   1           HB2      MET   1  21.594 -12.824  19.465
    6    HB3  MET   1           HB1      MET   1  21.155 -11.418  18.511
    7    HG2  MET   1           HG2      MET   1  19.424 -10.852  20.137
    8    HG3  MET   1           HG1      MET   1  19.867 -12.262  21.097
    9    HE1  MET   1           HE1      MET   1  21.955 -12.518  22.500
   10    HE2  MET   1           HE2      MET   1  23.307 -11.391  22.551
   11    HE3  MET   1           HE3      MET   1  23.015 -12.351  21.104
   12    H    ALA   2           HN       ALA   2  19.770 -11.031  16.808
   13    HA   ALA   2           HA       ALA   2  16.857 -10.686  16.830
   14    HB1  ALA   2           HB1      ALA   2  17.735  -9.129  18.488
   15    HB2  ALA   2           HB2      ALA   2  17.096  -8.261  17.092
   16    HB3  ALA   2           HB3      ALA   2  18.838  -8.455  17.288
   17    H    ALA   3           HN       ALA   3  18.366 -11.881  14.819
   18    HA   ALA   3           HA       ALA   3  17.994  -9.943  12.652
   19    HB1  ALA   3           HB1      ALA   3  20.393 -10.021  13.125
   20    HB2  ALA   3           HB2      ALA   3  20.030 -10.704  11.540
   21    HB3  ALA   3           HB3      ALA   3  20.384 -11.772  12.900
   22    H    GLN   4           HN       GLN   4  16.478 -10.731  11.367
   23    HA   GLN   4           HA       GLN   4  16.662 -13.489  10.462
   24    HB2  GLN   4           HB2      GLN   4  14.233 -13.877  10.864
   25    HB3  GLN   4           HB1      GLN   4  15.170 -13.730  12.341
   26    HG2  GLN   4           HG2      GLN   4  14.393 -11.491  12.684
   27    HG3  GLN   4           HG1      GLN   4  13.570 -11.499  11.127
   28   HE21  GLN   4          HE21      GLN   4  11.597 -11.037  12.110
   29   HE22  GLN   4          HE22      GLN   4  10.718 -12.231  12.998
   30    H    SER   5           HN       SER   5  15.886 -13.797   8.407
   31    HA   SER   5           HA       SER   5  14.672 -11.455   7.109
   32    HB2  SER   5           HB2      SER   5  16.704 -13.316   5.857
   33    HB3  SER   5           HB1      SER   5  15.978 -11.897   5.103
   34    HG   SER   5           HG       SER   5  16.928 -10.680   6.887
   35    H    ASP   6           HN       ASP   6  12.605 -12.123   7.017
   36    HA   ASP   6           HA       ASP   6  12.077 -14.665   5.622
   37    HB2  ASP   6           HB2      ASP   6  10.887 -13.496   8.054
   38    HB3  ASP   6           HB1      ASP   6   9.725 -14.138   6.899
   39    H    LYS   7           HN       LYS   7  10.570 -14.665   3.988
   40    HA   LYS   7           HA       LYS   7   9.531 -12.020   3.217
   41    HB2  LYS   7           HB2      LYS   7  10.559 -14.269   1.488
   42    HB3  LYS   7           HB1      LYS   7   9.570 -12.963   0.849
   43    HG2  LYS   7           HG2      LYS   7  12.293 -12.731   2.113
   44    HG3  LYS   7           HG1      LYS   7  11.873 -12.461   0.422
   45    HD2  LYS   7           HD2      LYS   7  10.435 -10.562   1.131
   46    HD3  LYS   7           HD1      LYS   7  10.985 -10.806   2.789
   47    HE2  LYS   7           HE2      LYS   7  13.347 -10.532   1.865
   48    HE3  LYS   7           HE1      LYS   7  12.578  -9.916   0.402
   49    HZ1  LYS   7           HZ1      LYS   7  13.174  -8.109   1.850
   50    HZ2  LYS   7           HZ2      LYS   7  12.312  -8.786   3.136
   51    HZ3  LYS   7           HZ3      LYS   7  11.484  -8.217   1.772
   52    H    ASP   8           HN       ASP   8   7.451 -11.960   3.677
   53    HA   ASP   8           HA       ASP   8   5.846 -14.373   3.169
   54    HB2  ASP   8           HB2      ASP   8   5.896 -13.864   5.534
   55    HB3  ASP   8           HB1      ASP   8   5.449 -12.191   5.224
   56    H    VAL   9           HN       VAL   9   4.166 -14.226   1.813
   57    HA   VAL   9           HA       VAL   9   3.382 -11.536   0.918
   58    HB   VAL   9           HB       VAL   9   4.552 -12.542  -0.904
   59   HG11  VAL   9          HG11      VAL   9   2.793 -14.967  -0.581
   60   HG12  VAL   9          HG12      VAL   9   4.508 -14.864  -0.192
   61   HG13  VAL   9          HG13      VAL   9   3.974 -14.717  -1.865
   62   HG21  VAL   9          HG21      VAL   9   2.635 -11.336  -1.636
   63   HG22  VAL   9          HG22      VAL   9   1.572 -12.702  -1.304
   64   HG23  VAL   9          HG23      VAL   9   2.744 -12.797  -2.618
   65    H    LYS  10           HN       LYS  10   1.502 -11.138   1.894
   66    HA   LYS  10           HA       LYS  10  -0.501 -13.289   1.973
   67    HB2  LYS  10           HB2      LYS  10   0.221 -11.124   3.836
   68    HB3  LYS  10           HB1      LYS  10  -1.507 -11.378   3.626
   69    HG2  LYS  10           HG2      LYS  10  -1.070 -13.818   4.113
   70    HG3  LYS  10           HG1      LYS  10   0.551 -13.327   4.608
   71    HD2  LYS  10           HD2      LYS  10  -1.974 -12.151   5.760
   72    HD3  LYS  10           HD1      LYS  10  -1.121 -13.520   6.472
   73    HE2  LYS  10           HE2      LYS  10   0.106 -10.810   5.973
   74    HE3  LYS  10           HE1      LYS  10  -0.558 -11.333   7.518
   75    HZ1  LYS  10           HZ1      LYS  10   1.771 -12.495   6.081
   76    HZ2  LYS  10           HZ2      LYS  10   1.069 -13.183   7.462
   77    HZ3  LYS  10           HZ3      LYS  10   1.785 -11.656   7.552
   78    H    TYR  11           HN       TYR  11  -2.262 -13.120   0.772
   79    HA   TYR  11           HA       TYR  11  -2.690 -10.712  -0.788
   80    HB2  TYR  11           HB2      TYR  11  -3.813 -13.497  -0.834
   81    HB3  TYR  11           HB1      TYR  11  -4.678 -12.200  -1.650
   82    HD1  TYR  11           HD2      TYR  11  -1.230 -13.639  -1.425
   83    HD2  TYR  11           HD1      TYR  11  -4.183 -11.781  -3.856
   84    HE1  TYR  11           HE2      TYR  11   0.243 -13.874  -3.383
   85    HE2  TYR  11           HE1      TYR  11  -2.723 -12.008  -5.819
   86    HH   TYR  11           HH       TYR  11  -0.193 -12.195  -6.218
   87    H    TYR  12           HN       TYR  12  -3.509  -9.143   0.472
   88    HA   TYR  12           HA       TYR  12  -5.540  -9.675   2.452
   89    HB2  TYR  12           HB2      TYR  12  -4.134  -7.170   1.537
   90    HB3  TYR  12           HB1      TYR  12  -5.466  -7.123   2.685
   91    HD1  TYR  12           HD2      TYR  12  -5.207  -8.561   4.816
   92    HD2  TYR  12           HD1      TYR  12  -1.953  -7.486   2.297
   93    HE1  TYR  12           HE2      TYR  12  -3.645  -8.985   6.664
   94    HE2  TYR  12           HE1      TYR  12  -0.379  -7.908   4.141
   95    HH   TYR  12           HH       TYR  12  -0.426  -7.980   6.633
   96    H    THR  13           HN       THR  13  -7.607  -8.781   2.486
   97    HA   THR  13           HA       THR  13  -8.931  -8.746  -0.049
   98    HB   THR  13           HB       THR  13 -10.722  -7.858   1.916
   99    HG1  THR  13           HG1      THR  13 -10.152  -9.723   3.470
  100   HG21  THR  13          HG21      THR  13 -11.605 -10.148   1.773
  101   HG22  THR  13          HG22      THR  13 -10.114 -10.673   0.992
  102   HG23  THR  13          HG23      THR  13 -11.180  -9.526   0.180
  103    H    LEU  14           HN       LEU  14 -10.290  -6.981  -0.791
  104    HA   LEU  14           HA       LEU  14  -8.958  -4.519  -0.914
  105    HB2  LEU  14           HB2      LEU  14 -10.552  -5.367  -2.606
  106    HB3  LEU  14           HB1      LEU  14 -11.866  -5.093  -1.481
  107    HG   LEU  14           HG       LEU  14 -11.220  -2.644  -1.498
  108   HD11  LEU  14          HD11      LEU  14  -9.924  -1.854  -3.392
  109   HD12  LEU  14          HD12      LEU  14  -9.638  -3.515  -3.910
  110   HD13  LEU  14          HD13      LEU  14  -8.956  -2.936  -2.391
  111   HD21  LEU  14          HD21      LEU  14 -12.326  -2.232  -3.660
  112   HD22  LEU  14          HD22      LEU  14 -13.160  -3.450  -2.694
  113   HD23  LEU  14          HD23      LEU  14 -12.150  -3.942  -4.055
  114    H    GLU  15           HN       GLU  15 -11.732  -5.560   0.995
  115    HA   GLU  15           HA       GLU  15 -12.194  -3.005   2.177
  116    HB2  GLU  15           HB2      GLU  15 -13.602  -4.381   3.800
  117    HB3  GLU  15           HB1      GLU  15 -14.061  -4.421   2.104
  118    HG2  GLU  15           HG2      GLU  15 -12.219  -6.520   3.109
  119    HG3  GLU  15           HG1      GLU  15 -13.918  -6.608   3.569
  120    H    GLU  16           HN       GLU  16  -9.756  -5.236   2.700
  121    HA   GLU  16           HA       GLU  16  -9.497  -4.660   5.547
  122    HB2  GLU  16           HB2      GLU  16  -9.119  -6.961   4.734
  123    HB3  GLU  16           HB1      GLU  16  -7.790  -6.388   3.740
  124    HG2  GLU  16           HG2      GLU  16  -7.007  -7.464   5.785
  125    HG3  GLU  16           HG1      GLU  16  -6.540  -5.766   5.722
  126    H    ILE  17           HN       ILE  17  -7.621  -4.253   2.549
  127    HA   ILE  17           HA       ILE  17  -5.501  -2.840   3.757
  128    HB   ILE  17           HB       ILE  17  -5.006  -2.039   1.399
  129   HG12  ILE  17          HG12      ILE  17  -6.274  -3.743  -0.237
  130   HG13  ILE  17          HG11      ILE  17  -7.556  -3.504   0.945
  131   HG21  ILE  17          HG21      ILE  17  -4.274  -4.285   0.674
  132   HG22  ILE  17          HG22      ILE  17  -5.248  -4.986   1.966
  133   HG23  ILE  17          HG23      ILE  17  -3.886  -3.938   2.359
  134   HD11  ILE  17          HD11      ILE  17  -7.556  -1.995  -1.089
  135   HD12  ILE  17          HD12      ILE  17  -6.159  -1.201  -0.364
  136   HD13  ILE  17          HD13      ILE  17  -7.703  -1.214   0.484
  137    H    LYS  18           HN       LYS  18  -8.603  -1.749   2.535
  138    HA   LYS  18           HA       LYS  18  -7.771   1.039   2.718
  139    HB2  LYS  18           HB2      LYS  18  -9.875   1.603   1.714
  140    HB3  LYS  18           HB1      LYS  18  -9.170   0.277   0.811
  141    HG2  LYS  18           HG2      LYS  18 -11.092  -0.795   1.017
  142    HG3  LYS  18           HG1      LYS  18 -10.779  -0.929   2.749
  143    HD2  LYS  18           HD2      LYS  18 -12.981   0.057   2.286
  144    HD3  LYS  18           HD1      LYS  18 -11.923   1.180   3.141
  145    HE2  LYS  18           HE2      LYS  18 -11.579   1.507   0.316
  146    HE3  LYS  18           HE1      LYS  18 -13.295   1.588   0.711
  147    HZ1  LYS  18           HZ1      LYS  18 -11.241   3.156   2.159
  148    HZ2  LYS  18           HZ2      LYS  18 -12.922   3.359   2.196
  149    HZ3  LYS  18           HZ3      LYS  18 -12.054   3.744   0.798
  150    H    LYS  19           HN       LYS  19  -8.471  -1.052   4.984
  151    HA   LYS  19           HA       LYS  19 -10.127   0.836   6.528
  152    HB2  LYS  19           HB2      LYS  19 -11.041  -1.510   5.959
  153    HB3  LYS  19           HB1      LYS  19  -9.887  -2.096   7.146
  154    HG2  LYS  19           HG2      LYS  19 -11.194  -1.509   8.843
  155    HG3  LYS  19           HG1      LYS  19 -11.459   0.104   8.176
  156    HD2  LYS  19           HD2      LYS  19 -13.567  -1.107   8.363
  157    HD3  LYS  19           HD1      LYS  19 -13.172  -0.801   6.673
  158    HE2  LYS  19           HE2      LYS  19 -13.970  -3.044   6.846
  159    HE3  LYS  19           HE1      LYS  19 -12.234  -3.109   6.550
  160    HZ1  LYS  19           HZ1      LYS  19 -12.905  -4.674   8.264
  161    HZ2  LYS  19           HZ2      LYS  19 -13.541  -3.420   9.195
  162    HZ3  LYS  19           HZ3      LYS  19 -11.880  -3.492   8.903
  163    H    HIS  20           HN       HIS  20  -7.272  -1.120   6.404
  164    HA   HIS  20           HA       HIS  20  -6.552  -0.793   9.151
  165    HB2  HIS  20           HB2      HIS  20  -5.625  -2.271   6.889
  166    HB3  HIS  20           HB1      HIS  20  -4.268  -1.396   7.591
  167    HD1  HIS  20           HD1      HIS  20  -6.658  -4.197   8.259
  168    HD2  HIS  20           HD2      HIS  20  -3.553  -2.206  10.203
  169    HE1  HIS  20           HE1      HIS  20  -6.045  -5.637  10.227
  170    HE2  HIS  20           HE2      HIS  20  -4.256  -4.360  11.449
  171    H    ASN  21           HN       ASN  21  -6.176   1.092   6.300
  172    HA   ASN  21           HA       ASN  21  -3.818   2.492   6.849
  173    HB2  ASN  21           HB2      ASN  21  -4.720   4.230   5.316
  174    HB3  ASN  21           HB1      ASN  21  -4.832   2.604   4.659
  175   HD21  ASN  21          HD21      ASN  21  -6.326   4.994   3.941
  176   HD22  ASN  21          HD22      ASN  21  -7.995   4.605   4.167
  177    H    HIS  22           HN       HIS  22  -3.429   3.433   8.747
  178    HA   HIS  22           HA       HIS  22  -5.297   5.506   9.647
  179    HB2  HIS  22           HB2      HIS  22  -4.227   3.230  11.298
  180    HB3  HIS  22           HB1      HIS  22  -4.659   4.760  12.056
  181    HD1  HIS  22           HD1      HIS  22  -6.088   1.824  12.274
  182    HD2  HIS  22           HD2      HIS  22  -7.461   5.220  10.312
  183    HE1  HIS  22           HE1      HIS  22  -8.579   1.530  12.067
  184    HE2  HIS  22           HE2      HIS  22  -9.344   3.499  10.702
  185    H    SER  23           HN       SER  23  -2.490   4.356  11.403
  186    HA   SER  23           HA       SER  23  -0.888   6.607  10.440
  187    HB2  SER  23           HB2      SER  23  -0.272   6.998  12.934
  188    HB3  SER  23           HB1      SER  23  -1.812   7.632  12.347
  189    HG   SER  23           HG       SER  23  -2.373   6.573  14.152
  190    H    LYS  24           HN       LYS  24  -1.046   3.749  12.506
  191    HA   LYS  24           HA       LYS  24   1.785   3.215  11.932
  192    HB2  LYS  24           HB2      LYS  24   1.585   1.586  13.860
  193    HB3  LYS  24           HB1      LYS  24   1.450   3.287  14.280
  194    HG2  LYS  24           HG2      LYS  24  -1.160   2.301  13.737
  195    HG3  LYS  24           HG1      LYS  24  -0.353   1.185  14.843
  196    HD2  LYS  24           HD2      LYS  24  -0.519   4.173  15.232
  197    HD3  LYS  24           HD1      LYS  24  -1.590   3.000  15.999
  198    HE2  LYS  24           HE2      LYS  24   0.304   1.973  17.123
  199    HE3  LYS  24           HE1      LYS  24   1.410   3.079  16.310
  200    HZ1  LYS  24           HZ1      LYS  24   0.404   4.920  17.465
  201    HZ2  LYS  24           HZ2      LYS  24   0.902   3.760  18.588
  202    HZ3  LYS  24           HZ3      LYS  24  -0.733   3.900  18.189
  203    H    SER  25           HN       SER  25  -0.555   2.724  10.212
  204    HA   SER  25           HA       SER  25   0.089   0.028   9.435
  205    HB2  SER  25           HB2      SER  25  -2.511  -0.421   9.331
  206    HB3  SER  25           HB1      SER  25  -1.627  -0.704  10.831
  207    HG   SER  25           HG       SER  25  -3.621   1.055  10.315
  208    H    THR  26           HN       THR  26   0.530   2.549   8.332
  209    HA   THR  26           HA       THR  26  -1.430   3.138   6.318
  210    HB   THR  26           HB       THR  26   1.402   4.140   6.356
  211    HG1  THR  26           HG1      THR  26   0.862   4.628   8.392
  212   HG21  THR  26          HG21      THR  26   0.376   6.180   5.482
  213   HG22  THR  26          HG22      THR  26  -1.217   5.431   5.586
  214   HG23  THR  26          HG23      THR  26  -0.015   4.794   4.463
  215    H    TRP  27           HN       TRP  27  -1.670   1.417   4.934
  216    HA   TRP  27           HA       TRP  27   0.708   0.328   3.622
  217    HB2  TRP  27           HB2      TRP  27  -2.163  -0.623   3.613
  218    HB3  TRP  27           HB1      TRP  27  -0.847  -1.408   2.752
  219    HD1  TRP  27           HD1      TRP  27   1.072  -0.777   5.533
  220    HE1  TRP  27           HE1      TRP  27   0.887  -2.545   7.392
  221    HE3  TRP  27           HE3      TRP  27  -3.319  -2.986   4.116
  222    HZ2  TRP  27           HZ2      TRP  27  -0.884  -4.599   8.157
  223    HZ3  TRP  27           HZ3      TRP  27  -4.186  -4.852   5.468
  224    HH2  TRP  27           HH2      TRP  27  -2.991  -5.639   7.445
  225    H    LEU  28           HN       LEU  28   1.040   0.449   1.446
  226    HA   LEU  28           HA       LEU  28  -0.834   2.140  -0.080
  227    HB2  LEU  28           HB2      LEU  28   2.179   2.093  -0.085
  228    HB3  LEU  28           HB1      LEU  28   1.266   2.746  -1.432
  229    HG   LEU  28           HG       LEU  28   1.160   3.780   1.407
  230   HD11  LEU  28          HD11      LEU  28   3.292   4.167   0.084
  231   HD12  LEU  28          HD12      LEU  28   2.461   5.605   0.679
  232   HD13  LEU  28          HD13      LEU  28   2.310   5.136  -1.013
  233   HD21  LEU  28          HD21      LEU  28  -0.104   5.632   0.427
  234   HD22  LEU  28          HD22      LEU  28  -0.945   4.095   0.228
  235   HD23  LEU  28          HD23      LEU  28  -0.086   4.812  -1.135
  236    H    ILE  29           HN       ILE  29  -1.385   1.480  -2.123
  237    HA   ILE  29           HA       ILE  29  -0.484  -1.207  -2.870
  238    HB   ILE  29           HB       ILE  29  -2.826   0.391  -3.914
  239   HG12  ILE  29          HG12      ILE  29  -2.803  -2.046  -2.128
  240   HG13  ILE  29          HG11      ILE  29  -3.048  -0.396  -1.563
  241   HG21  ILE  29          HG21      ILE  29  -3.499  -1.635  -5.067
  242   HG22  ILE  29          HG22      ILE  29  -2.074  -2.476  -4.458
  243   HG23  ILE  29          HG23      ILE  29  -1.890  -1.137  -5.591
  244   HD11  ILE  29          HD11      ILE  29  -4.812  -1.640  -3.641
  245   HD12  ILE  29          HD12      ILE  29  -5.120  -0.221  -2.642
  246   HD13  ILE  29          HD13      ILE  29  -5.113  -1.826  -1.916
  247    H    LEU  30           HN       LEU  30   1.081  -1.346  -4.296
  248    HA   LEU  30           HA       LEU  30   1.193   0.644  -6.464
  249    HB2  LEU  30           HB2      LEU  30   3.509  -0.561  -4.948
  250    HB3  LEU  30           HB1      LEU  30   3.678   0.359  -6.430
  251    HG   LEU  30           HG       LEU  30   2.487   1.458  -3.882
  252   HD11  LEU  30          HD11      LEU  30   4.600   2.679  -3.655
  253   HD12  LEU  30          HD12      LEU  30   5.252   1.788  -5.029
  254   HD13  LEU  30          HD13      LEU  30   4.827   0.935  -3.546
  255   HD21  LEU  30          HD21      LEU  30   3.304   2.750  -6.480
  256   HD22  LEU  30          HD22      LEU  30   2.837   3.627  -5.021
  257   HD23  LEU  30          HD23      LEU  30   1.669   2.592  -5.843
  258    H    HIS  31           HN       HIS  31   0.700  -0.341  -8.294
  259    HA   HIS  31           HA       HIS  31   0.610  -1.846  -9.981
  260    HB2  HIS  31           HB2      HIS  31   3.219  -2.491  -8.704
  261    HB3  HIS  31           HB1      HIS  31   2.563  -3.666  -9.837
  262    HD1  HIS  31           HD1      HIS  31   4.119  -3.291 -11.784
  263    HD2  HIS  31           HD2      HIS  31   2.420   0.235 -10.389
  264    HE1  HIS  31           HE1      HIS  31   4.751  -1.527 -13.458
  265    HE2  HIS  31           HE2      HIS  31   3.566   0.564 -12.688
  266    H    HIS  32           HN       HIS  32  -0.966  -2.250  -7.761
  267    HA   HIS  32           HA       HIS  32  -2.462  -3.720  -6.934
  268    HB2  HIS  32           HB2      HIS  32  -1.246  -5.594  -8.968
  269    HB3  HIS  32           HB1      HIS  32  -2.664  -5.976  -8.000
  270    HD1  HIS  32           HD1      HIS  32  -1.858  -4.868 -11.237
  271    HD2  HIS  32           HD2      HIS  32  -4.692  -3.698  -8.423
  272    HE1  HIS  32           HE1      HIS  32  -3.647  -3.657 -12.531
  273    HE2  HIS  32           HE2      HIS  32  -5.428  -3.110 -10.829
  274    H    LYS  33           HN       LYS  33   0.503  -3.618  -6.087
  275    HA   LYS  33           HA       LYS  33   0.463  -6.053  -4.430
  276    HB2  LYS  33           HB2      LYS  33   2.865  -4.323  -5.031
  277    HB3  LYS  33           HB1      LYS  33   2.854  -5.913  -4.280
  278    HG2  LYS  33           HG2      LYS  33   2.143  -6.929  -6.363
  279    HG3  LYS  33           HG1      LYS  33   2.039  -5.342  -7.127
  280    HD2  LYS  33           HD2      LYS  33   4.097  -6.153  -7.844
  281    HD3  LYS  33           HD1      LYS  33   4.521  -5.109  -6.486
  282    HE2  LYS  33           HE2      LYS  33   5.781  -7.031  -6.111
  283    HE3  LYS  33           HE1      LYS  33   4.378  -7.251  -5.069
  284    HZ1  LYS  33           HZ1      LYS  33   4.914  -9.264  -6.296
  285    HZ2  LYS  33           HZ2      LYS  33   4.720  -8.451  -7.763
  286    HZ3  LYS  33           HZ3      LYS  33   3.387  -8.684  -6.746
  287    H    VAL  34           HN       VAL  34   0.994  -5.829  -2.178
  288    HA   VAL  34           HA       VAL  34   0.249  -3.182  -1.156
  289    HB   VAL  34           HB       VAL  34   0.399  -5.741   0.436
  290   HG11  VAL  34          HG11      VAL  34  -1.075  -4.575   1.977
  291   HG12  VAL  34          HG12      VAL  34  -1.107  -3.170   0.912
  292   HG13  VAL  34          HG13      VAL  34   0.395  -3.637   1.709
  293   HG21  VAL  34          HG21      VAL  34  -1.162  -6.065  -1.415
  294   HG22  VAL  34          HG22      VAL  34  -2.003  -4.579  -0.969
  295   HG23  VAL  34          HG23      VAL  34  -2.012  -5.962   0.127
  296    H    TYR  35           HN       TYR  35   1.715  -1.907  -0.279
  297    HA   TYR  35           HA       TYR  35   4.204  -3.104   0.761
  298    HB2  TYR  35           HB2      TYR  35   3.807  -0.481  -0.693
  299    HB3  TYR  35           HB1      TYR  35   5.292  -0.922   0.142
  300    HD1  TYR  35           HD2      TYR  35   6.732  -2.680  -0.739
  301    HD2  TYR  35           HD1      TYR  35   3.223  -1.482  -2.814
  302    HE1  TYR  35           HE2      TYR  35   7.556  -3.801  -2.764
  303    HE2  TYR  35           HE1      TYR  35   4.034  -2.606  -4.846
  304    HH   TYR  35           HH       TYR  35   6.239  -3.289  -5.810
  305    H    ASP  36           HN       ASP  36   4.742  -2.612   2.808
  306    HA   ASP  36           HA       ASP  36   3.106  -0.598   4.198
  307    HB2  ASP  36           HB2      ASP  36   2.835  -2.757   5.229
  308    HB3  ASP  36           HB1      ASP  36   4.575  -3.017   5.268
  309    H    LEU  37           HN       LEU  37   4.054   1.233   4.509
  310    HA   LEU  37           HA       LEU  37   6.870   1.309   5.311
  311    HB2  LEU  37           HB2      LEU  37   7.382   3.110   3.838
  312    HB3  LEU  37           HB1      LEU  37   6.653   1.850   2.863
  313    HG   LEU  37           HG       LEU  37   4.969   4.099   3.905
  314   HD11  LEU  37          HD11      LEU  37   6.866   4.169   1.579
  315   HD12  LEU  37          HD12      LEU  37   6.684   5.334   2.891
  316   HD13  LEU  37          HD13      LEU  37   5.432   5.193   1.656
  317   HD21  LEU  37          HD21      LEU  37   3.999   2.050   2.809
  318   HD22  LEU  37          HD22      LEU  37   4.806   2.556   1.326
  319   HD23  LEU  37          HD23      LEU  37   3.577   3.585   2.054
  320    H    THR  38           HN       THR  38   4.346   1.404   6.700
  321    HA   THR  38           HA       THR  38   3.479   3.974   7.325
  322    HB   THR  38           HB       THR  38   2.416   1.713   7.907
  323    HG1  THR  38           HG1      THR  38   2.457   3.909   9.727
  324   HG21  THR  38          HG21      THR  38   4.085   2.103  10.399
  325   HG22  THR  38          HG22      THR  38   4.296   0.812   9.214
  326   HG23  THR  38          HG23      THR  38   2.817   0.897  10.173
  327    H    LYS  39           HN       LYS  39   6.371   2.369   8.376
  328    HA   LYS  39           HA       LYS  39   6.769   4.460  10.403
  329    HB2  LYS  39           HB2      LYS  39   7.516   1.638  10.253
  330    HB3  LYS  39           HB1      LYS  39   8.860   2.680  10.706
  331    HG2  LYS  39           HG2      LYS  39   6.176   2.674  12.083
  332    HG3  LYS  39           HG1      LYS  39   7.590   1.773  12.639
  333    HD2  LYS  39           HD2      LYS  39   8.807   3.774  13.049
  334    HD3  LYS  39           HD1      LYS  39   7.614   4.754  12.198
  335    HE2  LYS  39           HE2      LYS  39   5.961   4.260  13.922
  336    HE3  LYS  39           HE1      LYS  39   7.134   3.247  14.766
  337    HZ1  LYS  39           HZ1      LYS  39   7.423   6.161  14.274
  338    HZ2  LYS  39           HZ2      LYS  39   8.519   5.185  15.111
  339    HZ3  LYS  39           HZ3      LYS  39   6.977   5.458  15.745
  340    H    PHE  40           HN       PHE  40   7.237   4.235   7.317
  341    HA   PHE  40           HA       PHE  40   9.962   5.362   7.372
  342    HB2  PHE  40           HB2      PHE  40   9.581   3.206   6.056
  343    HB3  PHE  40           HB1      PHE  40   8.600   4.165   4.956
  344    HD1  PHE  40           HD1      PHE  40  12.007   3.999   6.441
  345    HD2  PHE  40           HD2      PHE  40   9.592   5.243   3.160
  346    HE1  PHE  40           HE1      PHE  40  14.031   4.624   5.189
  347    HE2  PHE  40           HE2      PHE  40  11.611   5.870   1.904
  348    HZ   PHE  40           HZ       PHE  40  13.833   5.559   2.917
  349    H    LEU  41           HN       LEU  41   6.778   6.150   7.176
  350    HA   LEU  41           HA       LEU  41   6.515   7.927   5.054
  351    HB2  LEU  41           HB2      LEU  41   5.313   8.298   7.799
  352    HB3  LEU  41           HB1      LEU  41   4.697   8.924   6.284
  353    HG   LEU  41           HG       LEU  41   4.856   5.986   6.949
  354   HD11  LEU  41          HD11      LEU  41   3.335   7.131   8.471
  355   HD12  LEU  41          HD12      LEU  41   2.452   6.114   7.332
  356   HD13  LEU  41          HD13      LEU  41   2.500   7.861   7.099
  357   HD21  LEU  41          HD21      LEU  41   3.436   7.488   4.750
  358   HD22  LEU  41          HD22      LEU  41   3.312   5.754   5.056
  359   HD23  LEU  41          HD23      LEU  41   4.853   6.454   4.561
  360    H    GLU  42           HN       GLU  42   7.865   8.429   8.262
  361    HA   GLU  42           HA       GLU  42   8.268  11.248   7.878
  362    HB2  GLU  42           HB2      GLU  42   9.539  11.015  10.046
  363    HB3  GLU  42           HB1      GLU  42   7.843  10.553  10.091
  364    HG2  GLU  42           HG2      GLU  42   8.340   8.278  10.186
  365    HG3  GLU  42           HG1      GLU  42   9.997   8.523   9.635
  366    H    GLU  43           HN       GLU  43   9.855   8.611   6.675
  367    HA   GLU  43           HA       GLU  43  12.447  10.021   6.625
  368    HB2  GLU  43           HB2      GLU  43  12.097   7.074   6.099
  369    HB3  GLU  43           HB1      GLU  43  13.571   7.942   6.507
  370    HG2  GLU  43           HG2      GLU  43  12.022   8.442   8.683
  371    HG3  GLU  43           HG1      GLU  43  11.500   6.819   8.237
  372    H    HIS  44           HN       HIS  44   9.796   9.494   4.862
  373    HA   HIS  44           HA       HIS  44  11.011   8.828   2.332
  374    HB2  HIS  44           HB2      HIS  44   8.735   8.044   2.949
  375    HB3  HIS  44           HB1      HIS  44   8.187   9.718   2.958
  376    HD1  HIS  44           HD1      HIS  44   7.383  10.638   0.762
  377    HD2  HIS  44           HD2      HIS  44   9.570   7.126   0.324
  378    HE1  HIS  44           HE1      HIS  44   7.193   9.982  -1.669
  379    HA   PRO  45           HA       PRO  45  12.017  13.107   1.517
  380    HB2  PRO  45           HB2      PRO  45  12.872  12.721  -1.045
  381    HB3  PRO  45           HB1      PRO  45  13.863  12.346   0.373
  382    HG2  PRO  45           HG2      PRO  45  12.265  10.507  -1.341
  383    HG3  PRO  45           HG1      PRO  45  13.868  10.267  -0.620
  384    HD2  PRO  45           HD2      PRO  45  11.618   9.184   0.423
  385    HD3  PRO  45           HD1      PRO  45  13.010   9.658   1.417
  386    H    GLY  46           HN       GLY  46  10.334  14.429   1.245
  387    HA2  GLY  46           HA2      GLY  46   9.176  15.546  -0.706
  388    HA3  GLY  46           HA1      GLY  46   8.518  13.946  -1.026
  389    H    GLY  47           HN       GLY  47   8.416  13.483   1.954
  390    HA2  GLY  47           HA2      GLY  47   7.152  14.627   3.741
  391    HA3  GLY  47           HA1      GLY  47   6.045  15.157   2.485
  392    H    GLU  48           HN       GLU  48   4.882  13.977   4.532
  393    HA   GLU  48           HA       GLU  48   4.456  11.185   3.719
  394    HB2  GLU  48           HB2      GLU  48   3.844  10.653   5.929
  395    HB3  GLU  48           HB1      GLU  48   5.259  11.679   6.077
  396    HG2  GLU  48           HG2      GLU  48   2.452  12.702   6.344
  397    HG3  GLU  48           HG1      GLU  48   3.405  12.117   7.704
  398    H    GLU  49           HN       GLU  49   3.032  14.258   3.775
  399    HA   GLU  49           HA       GLU  49   0.317  13.644   4.156
  400    HB2  GLU  49           HB2      GLU  49   1.458  15.956   4.001
  401    HB3  GLU  49           HB1      GLU  49   1.269  15.780   2.262
  402    HG2  GLU  49           HG2      GLU  49  -0.588  17.013   2.905
  403    HG3  GLU  49           HG1      GLU  49  -1.206  15.367   2.763
  404    H    VAL  50           HN       VAL  50   2.296  13.787   1.240
  405    HA   VAL  50           HA       VAL  50   0.245  13.119  -0.575
  406    HB   VAL  50           HB       VAL  50   2.081  12.558  -2.153
  407   HG11  VAL  50          HG11      VAL  50   3.137  14.833  -2.118
  408   HG12  VAL  50          HG12      VAL  50   2.303  15.127  -0.592
  409   HG13  VAL  50          HG13      VAL  50   1.374  14.832  -2.062
  410   HG21  VAL  50          HG21      VAL  50   4.406  12.894  -1.463
  411   HG22  VAL  50          HG22      VAL  50   3.654  11.579  -0.559
  412   HG23  VAL  50          HG23      VAL  50   3.879  13.155   0.201
  413    H    LEU  51           HN       LEU  51   1.862  11.237   1.724
  414    HA   LEU  51           HA       LEU  51   1.451   8.731   0.289
  415    HB2  LEU  51           HB2      LEU  51   2.620   9.215   3.029
  416    HB3  LEU  51           HB1      LEU  51   2.614   7.691   2.165
  417    HG   LEU  51           HG       LEU  51   4.104  10.181   1.328
  418   HD11  LEU  51          HD11      LEU  51   5.072   7.565   2.474
  419   HD12  LEU  51          HD12      LEU  51   5.084   9.131   3.285
  420   HD13  LEU  51          HD13      LEU  51   6.101   8.863   1.869
  421   HD21  LEU  51          HD21      LEU  51   3.990   7.421   0.107
  422   HD22  LEU  51          HD22      LEU  51   5.142   8.675  -0.347
  423   HD23  LEU  51          HD23      LEU  51   3.417   8.922  -0.617
  424    H    ARG  52           HN       ARG  52   0.394  10.341   3.287
  425    HA   ARG  52           HA       ARG  52  -1.310   8.228   4.086
  426    HB2  ARG  52           HB2      ARG  52  -2.371   9.970   5.584
  427    HB3  ARG  52           HB1      ARG  52  -0.654   9.688   5.803
  428    HG2  ARG  52           HG2      ARG  52  -0.769  11.974   5.902
  429    HG3  ARG  52           HG1      ARG  52  -0.390  11.720   4.200
  430    HD2  ARG  52           HD2      ARG  52  -2.166  13.403   4.547
  431    HD3  ARG  52           HD1      ARG  52  -2.703  12.026   3.587
  432    HE   ARG  52           HE       ARG  52  -3.934  11.244   5.483
  433   HH11  ARG  52          HH11      ARG  52  -2.519  14.455   5.882
  434   HH12  ARG  52          HH12      ARG  52  -3.742  14.945   7.124
  435   HH21  ARG  52          HH21      ARG  52  -5.477  11.828   7.043
  436   HH22  ARG  52          HH22      ARG  52  -5.398  13.478   7.769
  437    H    GLU  53           HN       GLU  53  -1.747  10.784   1.794
  438    HA   GLU  53           HA       GLU  53  -4.613  10.645   1.826
  439    HB2  GLU  53           HB2      GLU  53  -4.547  12.112  -0.090
  440    HB3  GLU  53           HB1      GLU  53  -3.401  12.682   1.114
  441    HG2  GLU  53           HG2      GLU  53  -1.673  12.457  -0.266
  442    HG3  GLU  53           HG1      GLU  53  -2.204  10.867  -0.813
  443    H    GLN  54           HN       GLN  54  -2.063   8.908   0.310
  444    HA   GLN  54           HA       GLN  54  -3.879   7.681  -1.631
  445    HB2  GLN  54           HB2      GLN  54  -0.888   7.432  -1.244
  446    HB3  GLN  54           HB1      GLN  54  -1.801   6.581  -2.479
  447    HG2  GLN  54           HG2      GLN  54  -1.841   9.573  -2.301
  448    HG3  GLN  54           HG1      GLN  54  -0.546   8.716  -3.133
  449   HE21  GLN  54          HE21      GLN  54  -3.836   9.704  -3.227
  450   HE22  GLN  54          HE22      GLN  54  -4.189   9.133  -4.821
  451    H    ALA  55           HN       ALA  55  -2.900   7.275   1.485
  452    HA   ALA  55           HA       ALA  55  -2.401   4.531   1.748
  453    HB1  ALA  55           HB1      ALA  55  -3.698   6.379   3.743
  454    HB2  ALA  55           HB2      ALA  55  -1.963   6.170   3.515
  455    HB3  ALA  55           HB3      ALA  55  -2.944   4.824   4.094
  456    H    GLY  56           HN       GLY  56  -3.666   2.781   1.745
  457    HA2  GLY  56           HA2      GLY  56  -5.617   1.515   1.960
  458    HA3  GLY  56           HA1      GLY  56  -6.523   2.999   2.232
  459    H    GLY  57           HN       GLY  57  -4.509   3.317  -0.399
  460    HA2  GLY  57           HA2      GLY  57  -6.440   2.263  -2.333
  461    HA3  GLY  57           HA1      GLY  57  -6.055   3.980  -2.384
  462    H    ASP  58           HN       ASP  58  -5.360   3.250  -4.628
  463    HA   ASP  58           HA       ASP  58  -2.655   2.123  -4.509
  464    HB2  ASP  58           HB2      ASP  58  -2.891   1.345  -6.736
  465    HB3  ASP  58           HB1      ASP  58  -4.388   0.921  -5.917
  466    H    ALA  59           HN       ALA  59  -0.964   3.145  -5.414
  467    HA   ALA  59           HA       ALA  59  -1.434   5.932  -6.260
  468    HB1  ALA  59           HB1      ALA  59   0.860   6.383  -5.454
  469    HB2  ALA  59           HB2      ALA  59   0.960   4.717  -4.884
  470    HB3  ALA  59           HB3      ALA  59  -0.214   5.824  -4.173
  471    H    THR  60           HN       THR  60  -1.552   3.614  -7.956
  472    HA   THR  60           HA       THR  60   0.767   3.084  -9.406
  473    HB   THR  60           HB       THR  60  -1.899   3.213 -10.771
  474    HG1  THR  60           HG1      THR  60  -2.657   2.182  -9.047
  475   HG21  THR  60          HG21      THR  60   0.329   1.168 -10.764
  476   HG22  THR  60          HG22      THR  60   0.053   2.385 -12.009
  477   HG23  THR  60          HG23      THR  60  -1.129   1.101 -11.755
  478    H    GLU  61           HN       GLU  61  -1.708   5.560  -9.892
  479    HA   GLU  61           HA       GLU  61  -0.527   6.655 -12.245
  480    HB2  GLU  61           HB2      GLU  61  -2.153   8.555 -11.770
  481    HB3  GLU  61           HB1      GLU  61  -2.855   6.964 -12.024
  482    HG2  GLU  61           HG2      GLU  61  -2.940   6.704  -9.532
  483    HG3  GLU  61           HG1      GLU  61  -2.459   8.394  -9.406
  484    H    ASN  62           HN       ASN  62   0.502   6.787  -9.102
  485    HA   ASN  62           HA       ASN  62   1.618   9.492  -9.426
  486    HB2  ASN  62           HB2      ASN  62   0.167   8.808  -7.373
  487    HB3  ASN  62           HB1      ASN  62   1.622   7.979  -6.832
  488   HD21  ASN  62          HD21      ASN  62   0.132  10.337  -5.779
  489   HD22  ASN  62          HD22      ASN  62   1.332  11.576  -5.625
  490    H    PHE  63           HN       PHE  63   2.422   6.166  -8.549
  491    HA   PHE  63           HA       PHE  63   5.122   6.466  -7.969
  492    HB2  PHE  63           HB2      PHE  63   4.037   4.403  -7.477
  493    HB3  PHE  63           HB1      PHE  63   3.596   4.152  -9.161
  494    HD1  PHE  63           HD2      PHE  63   6.594   4.489  -6.966
  495    HD2  PHE  63           HD1      PHE  63   4.902   2.781 -10.482
  496    HE1  PHE  63           HE2      PHE  63   8.637   3.158  -7.304
  497    HE2  PHE  63           HE1      PHE  63   6.940   1.448 -10.823
  498    HZ   PHE  63           HZ       PHE  63   8.812   1.635  -9.234
  499    H    GLU  64           HN       GLU  64   3.670   5.648 -11.133
  500    HA   GLU  64           HA       GLU  64   6.258   5.906 -12.420
  501    HB2  GLU  64           HB2      GLU  64   4.158   5.685 -14.341
  502    HB3  GLU  64           HB1      GLU  64   5.382   4.500 -13.911
  503    HG2  GLU  64           HG2      GLU  64   3.882   3.813 -12.009
  504    HG3  GLU  64           HG1      GLU  64   2.637   4.825 -12.740
  505    H    ASP  65           HN       ASP  65   4.093   8.078 -11.362
  506    HA   ASP  65           HA       ASP  65   4.041   9.831 -13.664
  507    HB2  ASP  65           HB2      ASP  65   2.103   9.919 -12.256
  508    HB3  ASP  65           HB1      ASP  65   3.087  10.155 -10.816
  509    H    VAL  66           HN       VAL  66   5.425   9.922 -10.392
  510    HA   VAL  66           HA       VAL  66   7.033  12.224 -10.991
  511    HB   VAL  66           HB       VAL  66   7.354  10.367  -8.635
  512   HG11  VAL  66          HG11      VAL  66   8.244  12.356  -7.527
  513   HG12  VAL  66          HG12      VAL  66   8.008  13.290  -9.005
  514   HG13  VAL  66          HG13      VAL  66   9.171  11.962  -8.975
  515   HG21  VAL  66          HG21      VAL  66   5.005  11.107  -8.853
  516   HG22  VAL  66          HG22      VAL  66   5.556  12.780  -8.831
  517   HG23  VAL  66          HG23      VAL  66   5.794  11.757  -7.419
  518    H    GLY  67           HN       GLY  67   7.631   8.752 -10.580
  519    HA2  GLY  67           HA2      GLY  67   9.267   7.562 -11.814
  520    HA3  GLY  67           HA1      GLY  67  10.101   9.080 -12.111
  521    H    HIS  68           HN       HIS  68  10.515   6.271 -10.652
  522    HA   HIS  68           HA       HIS  68  11.911   7.416  -8.323
  523    HB2  HIS  68           HB2      HIS  68  10.541   4.785  -8.759
  524    HB3  HIS  68           HB1      HIS  68  11.831   4.916  -7.568
  525    HD1  HIS  68           HD1      HIS  68   8.621   6.848  -8.357
  526    HD2  HIS  68           HD2      HIS  68  10.888   5.499  -5.142
  527    HE1  HIS  68           HE1      HIS  68   7.374   7.539  -6.273
  528    H    SER  69           HN       SER  69  14.000   6.701  -7.840
  529    HA   SER  69           HA       SER  69  15.680   6.232 -10.047
  530    HB2  SER  69           HB2      SER  69  17.436   5.858  -8.250
  531    HB3  SER  69           HB1      SER  69  16.587   7.399  -8.176
  532    HG   SER  69           HG       SER  69  16.158   6.852  -6.198
  533    H    THR  70           HN       THR  70  17.227   4.443 -10.258
  534    HA   THR  70           HA       THR  70  15.917   1.977 -10.505
  535    HB   THR  70           HB       THR  70  18.891   2.034 -10.384
  536    HG1  THR  70           HG1      THR  70  18.790   3.057 -12.539
  537   HG21  THR  70          HG21      THR  70  16.867   0.949 -12.354
  538   HG22  THR  70          HG22      THR  70  17.736   0.019 -11.133
  539   HG23  THR  70          HG23      THR  70  18.614   0.745 -12.481
  540    H    ASP  71           HN       ASP  71  17.562   3.384  -7.827
  541    HA   ASP  71           HA       ASP  71  17.964   0.827  -6.504
  542    HB2  ASP  71           HB2      ASP  71  19.659   2.568  -6.198
  543    HB3  ASP  71           HB1      ASP  71  18.442   3.650  -5.525
  544    H    ALA  72           HN       ALA  72  15.866   3.651  -6.272
  545    HA   ALA  72           HA       ALA  72  14.564   3.061  -3.875
  546    HB1  ALA  72           HB1      ALA  72  13.445   4.447  -6.301
  547    HB2  ALA  72           HB2      ALA  72  14.397   5.208  -5.027
  548    HB3  ALA  72           HB3      ALA  72  12.805   4.543  -4.661
  549    H    ARG  73           HN       ARG  73  13.800   2.045  -7.184
  550    HA   ARG  73           HA       ARG  73  11.372   0.757  -6.568
  551    HB2  ARG  73           HB2      ARG  73  11.849  -0.521  -8.736
  552    HB3  ARG  73           HB1      ARG  73  11.694   1.227  -8.832
  553    HG2  ARG  73           HG2      ARG  73  13.684   1.356  -9.784
  554    HG3  ARG  73           HG1      ARG  73  14.423   0.618  -8.361
  555    HD2  ARG  73           HD2      ARG  73  14.967  -0.662 -10.343
  556    HD3  ARG  73           HD1      ARG  73  13.925  -1.603  -9.278
  557    HE   ARG  73           HE       ARG  73  12.840  -0.157 -11.607
  558   HH11  ARG  73          HH11      ARG  73  13.302  -3.124  -9.748
  559   HH12  ARG  73          HH12      ARG  73  12.139  -4.054 -10.777
  560   HH21  ARG  73          HH21      ARG  73  11.376  -1.317 -12.909
  561   HH22  ARG  73          HH22      ARG  73  11.071  -3.056 -12.533
  562    H    GLU  74           HN       GLU  74  14.673  -0.271  -6.215
  563    HA   GLU  74           HA       GLU  74  13.918  -3.045  -5.815
  564    HB2  GLU  74           HB2      GLU  74  16.593  -1.661  -5.518
  565    HB3  GLU  74           HB1      GLU  74  16.330  -3.395  -5.379
  566    HG2  GLU  74           HG2      GLU  74  15.922  -1.705  -7.836
  567    HG3  GLU  74           HG1      GLU  74  17.221  -2.866  -7.553
  568    H    LEU  75           HN       LEU  75  14.541  -0.169  -4.008
  569    HA   LEU  75           HA       LEU  75  15.013  -1.354  -1.475
  570    HB2  LEU  75           HB2      LEU  75  15.633   0.951  -1.935
  571    HB3  LEU  75           HB1      LEU  75  13.958   1.376  -2.228
  572    HG   LEU  75           HG       LEU  75  13.459   0.864   0.157
  573   HD11  LEU  75          HD11      LEU  75  15.394   0.745   1.708
  574   HD12  LEU  75          HD12      LEU  75  16.449   0.542   0.309
  575   HD13  LEU  75          HD13      LEU  75  15.224  -0.673   0.673
  576   HD21  LEU  75          HD21      LEU  75  14.446   2.894   1.041
  577   HD22  LEU  75          HD22      LEU  75  13.904   3.151  -0.619
  578   HD23  LEU  75          HD23      LEU  75  15.620   2.920  -0.276
  579    H    SER  76           HN       SER  76  12.208  -0.882  -3.376
  580    HA   SER  76           HA       SER  76  10.249  -0.818  -1.327
  581    HB2  SER  76           HB2      SER  76   9.877  -1.853  -4.142
  582    HB3  SER  76           HB1      SER  76   8.653  -1.156  -3.084
  583    HG   SER  76           HG       SER  76  10.784   0.511  -3.494
  584    H    LYS  77           HN       LYS  77  12.268  -3.291  -2.441
  585    HA   LYS  77           HA       LYS  77  10.547  -5.528  -2.118
  586    HB2  LYS  77           HB2      LYS  77  13.179  -5.079  -3.013
  587    HB3  LYS  77           HB1      LYS  77  13.305  -6.208  -1.671
  588    HG2  LYS  77           HG2      LYS  77  11.685  -7.679  -2.758
  589    HG3  LYS  77           HG1      LYS  77  11.570  -6.551  -4.111
  590    HD2  LYS  77           HD2      LYS  77  13.995  -6.845  -4.503
  591    HD3  LYS  77           HD1      LYS  77  14.025  -8.054  -3.217
  592    HE2  LYS  77           HE2      LYS  77  12.375  -9.391  -4.476
  593    HE3  LYS  77           HE1      LYS  77  12.435  -8.202  -5.775
  594    HZ1  LYS  77           HZ1      LYS  77  13.859 -10.034  -6.306
  595    HZ2  LYS  77           HZ2      LYS  77  14.674  -9.907  -4.832
  596    HZ3  LYS  77           HZ3      LYS  77  14.829  -8.687  -5.988
  597    H    THR  78           HN       THR  78  11.838  -3.439   0.158
  598    HA   THR  78           HA       THR  78  11.850  -5.526   2.225
  599    HB   THR  78           HB       THR  78  13.862  -3.985   1.994
  600    HG1  THR  78           HG1      THR  78  12.400  -4.397   4.371
  601   HG21  THR  78          HG21      THR  78  12.736  -1.874   1.610
  602   HG22  THR  78          HG22      THR  78  13.669  -1.778   3.105
  603   HG23  THR  78          HG23      THR  78  11.918  -1.991   3.168
  604    H    PHE  79           HN       PHE  79   9.699  -3.619   0.833
  605    HA   PHE  79           HA       PHE  79   8.271  -3.035   3.346
  606    HB2  PHE  79           HB2      PHE  79   8.158  -1.562   0.707
  607    HB3  PHE  79           HB1      PHE  79   7.068  -1.258   2.053
  608    HD1  PHE  79           HD2      PHE  79   8.595  -1.075   4.383
  609    HD2  PHE  79           HD1      PHE  79   9.709   0.089   0.447
  610    HE1  PHE  79           HE2      PHE  79  10.203   0.535   5.317
  611    HE2  PHE  79           HE1      PHE  79  11.321   1.702   1.375
  612    HZ   PHE  79           HZ       PHE  79  11.569   1.923   3.814
  613    H    ILE  80           HN       ILE  80   8.342  -4.981   0.653
  614    HA   ILE  80           HA       ILE  80   5.526  -5.136   0.141
  615    HB   ILE  80           HB       ILE  80   7.075  -5.620  -1.652
  616   HG12  ILE  80          HG12      ILE  80   6.256  -7.999  -2.234
  617   HG13  ILE  80          HG11      ILE  80   5.356  -7.904  -0.724
  618   HG21  ILE  80          HG21      ILE  80   8.956  -6.482  -0.439
  619   HG22  ILE  80          HG22      ILE  80   8.457  -7.667  -1.646
  620   HG23  ILE  80          HG23      ILE  80   8.040  -7.908   0.052
  621   HD11  ILE  80          HD11      ILE  80   3.973  -7.302  -2.630
  622   HD12  ILE  80          HD12      ILE  80   5.101  -6.013  -3.051
  623   HD13  ILE  80          HD13      ILE  80   4.189  -5.928  -1.544
  624    H    ILE  81           HN       ILE  81   4.057  -6.264   1.246
  625    HA   ILE  81           HA       ILE  81   4.977  -8.552   2.852
  626    HB   ILE  81           HB       ILE  81   3.540  -8.007   4.675
  627   HG12  ILE  81          HG12      ILE  81   1.755  -6.932   3.151
  628   HG13  ILE  81          HG11      ILE  81   1.967  -6.266   4.764
  629   HG21  ILE  81          HG21      ILE  81   5.123  -5.589   3.832
  630   HG22  ILE  81          HG22      ILE  81   5.699  -6.965   4.775
  631   HG23  ILE  81          HG23      ILE  81   4.495  -5.871   5.456
  632   HD11  ILE  81          HD11      ILE  81   1.682  -4.493   3.162
  633   HD12  ILE  81          HD12      ILE  81   3.022  -5.110   2.198
  634   HD13  ILE  81          HD13      ILE  81   3.323  -4.455   3.805
  635    H    GLY  82           HN       GLY  82   3.153  -7.720   0.289
  636    HA2  GLY  82           HA2      GLY  82   1.877 -10.130  -0.011
  637    HA3  GLY  82           HA1      GLY  82   0.736  -9.136   0.879
  638    H    GLU  83           HN       GLU  83  -0.511  -9.675  -1.123
  639    HA   GLU  83           HA       GLU  83  -0.168  -7.510  -3.057
  640    HB2  GLU  83           HB2      GLU  83   0.428 -10.204  -3.644
  641    HB3  GLU  83           HB1      GLU  83  -1.109  -9.859  -4.427
  642    HG2  GLU  83           HG2      GLU  83  -0.107  -7.913  -5.521
  643    HG3  GLU  83           HG1      GLU  83   1.438  -8.291  -4.762
  644    H    LEU  84           HN       LEU  84  -2.192  -7.490  -4.561
  645    HA   LEU  84           HA       LEU  84  -4.463  -7.314  -2.809
  646    HB2  LEU  84           HB2      LEU  84  -3.716  -6.330  -5.454
  647    HB3  LEU  84           HB1      LEU  84  -5.398  -6.820  -5.354
  648    HG   LEU  84           HG       LEU  84  -5.094  -4.424  -4.904
  649   HD11  LEU  84          HD11      LEU  84  -6.453  -4.297  -2.933
  650   HD12  LEU  84          HD12      LEU  84  -5.944  -5.907  -2.428
  651   HD13  LEU  84          HD13      LEU  84  -6.944  -5.712  -3.866
  652   HD21  LEU  84          HD21      LEU  84  -4.002  -3.700  -2.832
  653   HD22  LEU  84          HD22      LEU  84  -2.872  -4.486  -3.935
  654   HD23  LEU  84          HD23      LEU  84  -3.489  -5.360  -2.535
  655    H    HIS  85           HN       HIS  85  -6.312  -8.393  -2.859
  656    HA   HIS  85           HA       HIS  85  -6.420 -11.094  -3.447
  657    HB2  HIS  85           HB2      HIS  85  -7.888  -9.655  -1.919
  658    HB3  HIS  85           HB1      HIS  85  -8.804  -9.245  -3.358
  659    HD1  HIS  85           HD1      HIS  85 -10.954 -10.411  -3.074
  660    HD2  HIS  85           HD2      HIS  85  -7.709 -12.859  -2.168
  661    HE1  HIS  85           HE1      HIS  85 -11.922 -12.686  -2.587
  662    HE2  HIS  85           HE2      HIS  85  -9.966 -14.075  -1.838
  663    HA   PRO  86           HA       PRO  86  -6.778 -11.128  -7.901
  664    HB2  PRO  86           HB2      PRO  86  -8.011 -13.604  -8.089
  665    HB3  PRO  86           HB1      PRO  86  -6.267 -13.335  -8.004
  666    HG2  PRO  86           HG2      PRO  86  -8.160 -14.090  -5.834
  667    HG3  PRO  86           HG1      PRO  86  -6.498 -14.640  -6.123
  668    HD2  PRO  86           HD2      PRO  86  -7.045 -12.839  -4.227
  669    HD3  PRO  86           HD1      PRO  86  -5.564 -12.726  -5.201
  670    H    ASP  87           HN       ASP  87  -9.573 -12.254  -6.017
  671    HA   ASP  87           HA       ASP  87 -11.501 -11.835  -8.022
  672    HB2  ASP  87           HB2      ASP  87 -11.801 -11.886  -5.015
  673    HB3  ASP  87           HB1      ASP  87 -13.144 -11.925  -6.153
  674    H    ASP  88           HN       ASP  88  -9.864  -9.654  -5.953
  675    HA   ASP  88           HA       ASP  88 -11.799  -7.522  -6.554
  676    HB2  ASP  88           HB2      ASP  88  -9.655  -7.683  -4.421
  677    HB3  ASP  88           HB1      ASP  88 -10.618  -6.247  -4.744
  678    H    ARG  89           HN       ARG  89  -9.441  -8.773  -8.109
  679    HA   ARG  89           HA       ARG  89  -8.099  -6.229  -8.731
  680    HB2  ARG  89           HB2      ARG  89  -6.617  -7.969  -7.704
  681    HB3  ARG  89           HB1      ARG  89  -6.944  -8.998  -9.091
  682    HG2  ARG  89           HG2      ARG  89  -6.076  -7.025 -10.488
  683    HG3  ARG  89           HG1      ARG  89  -5.401  -6.440  -8.966
  684    HD2  ARG  89           HD2      ARG  89  -4.832  -9.072 -10.318
  685    HD3  ARG  89           HD1      ARG  89  -3.729  -7.712 -10.134
  686    HE   ARG  89           HE       ARG  89  -4.731  -8.880  -7.671
  687   HH11  ARG  89          HH11      ARG  89  -2.164  -8.728 -10.068
  688   HH12  ARG  89          HH12      ARG  89  -0.943  -9.485  -8.980
  689   HH21  ARG  89          HH21      ARG  89  -3.208  -9.822  -6.247
  690   HH22  ARG  89          HH22      ARG  89  -1.513 -10.087  -6.841
  691    H    SER  90           HN       SER  90  -8.708  -9.416 -10.237
  692    HA   SER  90           HA       SER  90  -9.226  -7.986 -12.756
  693    HB2  SER  90           HB2      SER  90  -8.482 -10.894 -12.495
  694    HB3  SER  90           HB1      SER  90  -8.415  -9.881 -13.938
  695    HG   SER  90           HG       SER  90  -6.755  -8.663 -12.883
  696    H    LYS  91           HN       LYS  91 -11.191  -8.460 -10.642
  697    HA   LYS  91           HA       LYS  91 -13.183  -9.788 -12.300
  698    HB2  LYS  91           HB2      LYS  91 -12.226 -10.782  -9.691
  699    HB3  LYS  91           HB1      LYS  91 -13.973 -10.728  -9.881
  700    HG2  LYS  91           HG2      LYS  91 -13.791 -12.091 -11.907
  701    HG3  LYS  91           HG1      LYS  91 -12.038 -12.147 -11.702
  702    HD2  LYS  91           HD2      LYS  91 -13.582 -12.958  -9.343
  703    HD3  LYS  91           HD1      LYS  91 -13.778 -14.008 -10.746
  704    HE2  LYS  91           HE2      LYS  91 -11.103 -13.176  -9.640
  705    HE3  LYS  91           HE1      LYS  91 -11.933 -14.658  -9.172
  706    HZ1  LYS  91           HZ1      LYS  91 -10.695 -13.953 -11.739
  707    HZ2  LYS  91           HZ2      LYS  91 -11.990 -15.038 -11.724
  708    HZ3  LYS  91           HZ3      LYS  91 -10.591 -15.391 -10.851
  709    H    LEU  92           HN       LEU  92 -12.906  -8.428  -9.013
  710    HA   LEU  92           HA       LEU  92 -14.030  -6.785  -7.931
  711    HB2  LEU  92           HB2      LEU  92 -14.228  -5.852 -10.767
  712    HB3  LEU  92           HB1      LEU  92 -15.172  -5.035  -9.542
  713    HG   LEU  92           HG       LEU  92 -13.205  -3.762  -9.815
  714   HD11  LEU  92          HD11      LEU  92 -12.257  -3.742  -7.653
  715   HD12  LEU  92          HD12      LEU  92 -12.607  -5.450  -7.404
  716   HD13  LEU  92          HD13      LEU  92 -13.925  -4.282  -7.458
  717   HD21  LEU  92          HD21      LEU  92 -11.852  -5.368 -11.005
  718   HD22  LEU  92          HD22      LEU  92 -11.661  -6.333  -9.540
  719   HD23  LEU  92          HD23      LEU  92 -10.950  -4.721  -9.633
  720    H    SER  93           HN       SER  93 -15.328  -9.215  -8.395
  721    HA   SER  93           HA       SER  93 -18.092  -8.547  -9.031
  722    HB2  SER  93           HB2      SER  93 -17.070 -11.271  -8.251
  723    HB3  SER  93           HB1      SER  93 -18.470 -10.860  -9.246
  724    HG   SER  93           HG       SER  93 -16.876  -9.953 -10.759
  725    H    LYS  94           HN       LYS  94 -17.492  -7.193  -6.848
  726    HA   LYS  94           HA       LYS  94 -18.907  -8.629  -4.727
  727    HB2  LYS  94           HB2      LYS  94 -16.235  -7.264  -4.483
  728    HB3  LYS  94           HB1      LYS  94 -17.306  -7.394  -3.096
  729    HG2  LYS  94           HG2      LYS  94 -17.187  -9.751  -3.094
  730    HG3  LYS  94           HG1      LYS  94 -16.449  -9.787  -4.696
  731    HD2  LYS  94           HD2      LYS  94 -14.743 -10.225  -3.065
  732    HD3  LYS  94           HD1      LYS  94 -14.467  -8.619  -3.737
  733    HE2  LYS  94           HE2      LYS  94 -16.175  -8.323  -1.502
  734    HE3  LYS  94           HE1      LYS  94 -14.849  -9.378  -1.017
  735    HZ1  LYS  94           HZ1      LYS  94 -13.816  -7.427  -0.656
  736    HZ2  LYS  94           HZ2      LYS  94 -14.819  -6.568  -1.714
  737    HZ3  LYS  94           HZ3      LYS  94 -13.525  -7.470  -2.333
  738    HA   PRO  95           HA       PRO  95 -21.168  -4.817  -4.725
  739    HB2  PRO  95           HB2      PRO  95 -22.665  -5.235  -2.523
  740    HB3  PRO  95           HB1      PRO  95 -22.941  -6.118  -4.031
  741    HG2  PRO  95           HG2      PRO  95 -21.497  -7.009  -1.575
  742    HG3  PRO  95           HG1      PRO  95 -22.643  -7.904  -2.591
  743    HD2  PRO  95           HD2      PRO  95 -19.952  -8.216  -2.783
  744    HD3  PRO  95           HD1      PRO  95 -21.058  -8.436  -4.155
  745    H    MET  96           HN       MET  96 -21.133  -2.820  -3.723
  746    HA   MET  96           HA       MET  96 -19.061  -2.467  -1.710
  747    HB2  MET  96           HB2      MET  96 -19.050  -0.990  -3.653
  748    HB3  MET  96           HB1      MET  96 -20.679  -0.451  -3.280
  749    HG2  MET  96           HG2      MET  96 -19.909   0.580  -1.237
  750    HG3  MET  96           HG1      MET  96 -18.278  -0.030  -1.521
  751    HE1  MET  96           HE1      MET  96 -21.123   2.302  -2.867
  752    HE2  MET  96           HE2      MET  96 -20.706   1.389  -4.317
  753    HE3  MET  96           HE3      MET  96 -20.331   3.108  -4.222
  754    H    GLU  97           HN       GLU  97 -22.306  -1.069  -2.145
  755    HA   GLU  97           HA       GLU  97 -23.956  -0.525  -0.697
  756    HB2  GLU  97           HB2      GLU  97 -23.914  -2.993  -0.340
  757    HB3  GLU  97           HB1      GLU  97 -22.840  -2.740   1.029
  758    HG2  GLU  97           HG2      GLU  97 -24.508  -1.729   2.302
  759    HG3  GLU  97           HG1      GLU  97 -25.515  -1.405   0.891
  760    H    THR  98           HN       THR  98 -23.245   1.520  -0.172
  761    HA   THR  98           HA       THR  98 -22.546   1.881   2.602
  762    HB   THR  98           HB       THR  98 -20.325   1.591   1.495
  763    HG1  THR  98           HG1      THR  98 -19.904   2.824   3.173
  764   HG21  THR  98          HG21      THR  98 -20.989   4.190   0.109
  765   HG22  THR  98          HG22      THR  98 -20.947   2.614  -0.679
  766   HG23  THR  98          HG23      THR  98 -19.471   3.294   0.006
  767    H    LEU  99           HN       LEU  99 -22.048   4.467   2.796
  768    HA   LEU  99           HA       LEU  99 -23.057   6.496   2.911
  769    HB2  LEU  99           HB2      LEU  99 -23.502   5.895  -0.010
  770    HB3  LEU  99           HB1      LEU  99 -23.816   7.457   0.720
  771    HG   LEU  99           HG       LEU  99 -21.102   6.137   0.715
  772   HD11  LEU  99          HD11      LEU  99 -21.867   6.625  -1.573
  773   HD12  LEU  99          HD12      LEU  99 -20.504   7.630  -1.082
  774   HD13  LEU  99          HD13      LEU  99 -22.135   8.306  -1.105
  775   HD21  LEU  99          HD21      LEU  99 -21.425   7.765   2.497
  776   HD22  LEU  99          HD22      LEU  99 -21.984   8.956   1.323
  777   HD23  LEU  99          HD23      LEU  99 -20.315   8.388   1.276
  778    H    ILE 100           HN       ILE 100 -24.658   4.804   4.078
  779    HA   ILE 100           HA       ILE 100 -27.345   5.393   3.015
  780    HB   ILE 100           HB       ILE 100 -28.130   3.415   4.345
  781   HG12  ILE 100          HG12      ILE 100 -25.195   2.693   4.454
  782   HG13  ILE 100          HG11      ILE 100 -26.086   3.351   5.822
  783   HG21  ILE 100          HG21      ILE 100 -26.123   2.884   2.159
  784   HG22  ILE 100          HG22      ILE 100 -27.828   3.285   1.942
  785   HG23  ILE 100          HG23      ILE 100 -27.370   1.759   2.702
  786   HD11  ILE 100          HD11      ILE 100 -25.884   0.943   5.974
  787   HD12  ILE 100          HD12      ILE 100 -26.675   0.762   4.408
  788   HD13  ILE 100          HD13      ILE 100 -27.572   1.419   5.780
  789    H    THR 101           HN       THR 101 -25.306   6.593   5.109
  790    HA   THR 101           HA       THR 101 -27.348   7.044   7.181
  791    HB   THR 101           HB       THR 101 -24.536   7.444   7.984
  792    HG1  THR 101           HG1      THR 101 -25.548   4.785   7.722
  793   HG21  THR 101          HG21      THR 101 -25.349   6.349  10.033
  794   HG22  THR 101          HG22      THR 101 -26.888   6.015   9.238
  795   HG23  THR 101          HG23      THR 101 -26.398   7.680   9.548
  796    H    THR 102           HN       THR 102 -27.935   9.094   7.438
  797    HA   THR 102           HA       THR 102 -26.587  11.185   5.962
  798    HB   THR 102           HB       THR 102 -28.747  12.051   7.721
  799    HG1  THR 102           HG1      THR 102 -29.521  10.194   5.719
  800   HG21  THR 102          HG21      THR 102 -27.948  13.277   5.742
  801   HG22  THR 102          HG22      THR 102 -29.663  12.889   5.626
  802   HG23  THR 102          HG23      THR 102 -28.484  11.946   4.714
  803    H    VAL 103           HN       VAL 103 -24.603  11.087   7.239
  804    HA   VAL 103           HA       VAL 103 -24.680  11.856  10.011
  805    HB   VAL 103           HB       VAL 103 -22.211  11.929   9.845
  806   HG11  VAL 103          HG11      VAL 103 -23.537   9.470   8.718
  807   HG12  VAL 103          HG12      VAL 103 -23.282   9.848  10.422
  808   HG13  VAL 103          HG13      VAL 103 -21.902   9.524   9.373
  809   HG21  VAL 103          HG21      VAL 103 -21.076  11.291   7.812
  810   HG22  VAL 103          HG22      VAL 103 -22.094  12.695   7.490
  811   HG23  VAL 103          HG23      VAL 103 -22.615  11.090   6.975
  812    H    ASP 104           HN       ASP 104 -24.930  13.564   7.136
  813    HA   ASP 104           HA       ASP 104 -23.549  15.932   8.066
  814    HB2  ASP 104           HB2      ASP 104 -24.299  16.958   5.952
  815    HB3  ASP 104           HB1      ASP 104 -23.468  15.433   5.676
  816    HHB  HEM 400           HB       HEM 400  11.955   4.580  -1.926
  817    HHC  HEM 400           HC       HEM 400   5.666   4.408  -2.633
  818    HHD  HEM 400           HD       HEM 400   5.712  10.462  -4.494
  819    HMA  HEM 400          HMA1      HEM 400  14.143   5.183  -2.845
  820   HMAA  HEM 400          HMA2      HEM 400  14.159   5.892  -1.236
  821   HMAB  HEM 400          HMA3      HEM 400  15.087   6.645  -2.526
  822    HAA  HEM 400          HAA1      HEM 400  15.078   8.605  -2.885
  823   HAAA  HEM 400          HAA2      HEM 400  14.059  10.037  -2.837
  824    HBA  HEM 400          HBA1      HEM 400  14.075  10.280  -5.096
  825   HBAA  HEM 400          HBA2      HEM 400  14.008   8.542  -5.387
  826    HMB  HEM 400          HMB1      HEM 400  10.160   1.537  -2.080
  827   HMBA  HEM 400          HMB2      HEM 400  10.149   2.179  -0.430
  828   HMBB  HEM 400          HMB3      HEM 400  11.390   2.682  -1.582
  829    HAB  HEM 400           HAB      HEM 400   7.142   1.652  -2.678
  830    HBB  HEM 400          HBB1      HEM 400   6.693   2.713   0.226
  831   HBBA  HEM 400          HBB2      HEM 400   5.962   1.145  -0.609
  832    HMC  HEM 400          HMC1      HEM 400   2.600   6.442  -3.101
  833   HMCA  HEM 400          HMC2      HEM 400   3.652   5.110  -2.614
  834   HMCB  HEM 400          HMC3      HEM 400   3.295   5.396  -4.318
  835    HAC  HEM 400           HAC      HEM 400   3.526   9.445  -5.067
  836    HBC  HEM 400          HBC1      HEM 400   2.274   8.349  -2.415
  837   HBCA  HEM 400          HBC2      HEM 400   1.512   9.565  -3.692
  838    HMD  HEM 400          HMD1      HEM 400   6.983  13.130  -4.193
  839   HMDA  HEM 400          HMD2      HEM 400   6.490  12.212  -5.615
  840   HMDB  HEM 400          HMD3      HEM 400   7.894  13.282  -5.682
  841    HAD  HEM 400          HAD1      HEM 400   9.896  13.486  -5.098
  842   HADA  HEM 400          HAD2      HEM 400  11.143  12.790  -4.078
  843    HBD  HEM 400          HBD1      HEM 400  10.670  12.129  -6.998
  844   HBDA  HEM 400          HBD2      HEM 400  11.907  11.394  -5.978
  845    HHA  HEM 400           HA       HEM 400  12.020  10.549  -3.994
  Start of MODEL   13
    1    H1   MET   1           HT1      MET   1  19.064 -15.429  16.843
    2    H2   MET   1           HT2      MET   1  20.293 -15.411  17.999
    3    H3   MET   1           HT3      MET   1  20.294 -14.274  16.754
    4    HA   MET   1           HA       MET   1  18.327 -14.499  18.946
    5    HB2  MET   1           HB2      MET   1  20.388 -12.374  18.297
    6    HB3  MET   1           HB1      MET   1  19.180 -12.244  19.567
    7    HG2  MET   1           HG2      MET   1  20.180 -14.364  20.534
    8    HG3  MET   1           HG1      MET   1  21.513 -14.123  19.409
    9    HE1  MET   1           HE1      MET   1  19.324 -11.689  21.612
   10    HE2  MET   1           HE2      MET   1  20.442 -11.343  22.933
   11    HE3  MET   1           HE3      MET   1  19.800 -12.974  22.723
   12    H    ALA   2           HN       ALA   2  18.244 -11.417  18.325
   13    HA   ALA   2           HA       ALA   2  15.939 -11.639  16.608
   14    HB1  ALA   2           HB1      ALA   2  15.885 -10.126  18.514
   15    HB2  ALA   2           HB2      ALA   2  15.661  -9.243  17.006
   16    HB3  ALA   2           HB3      ALA   2  17.220  -9.199  17.833
   17    H    ALA   3           HN       ALA   3  17.124 -12.445  14.751
   18    HA   ALA   3           HA       ALA   3  17.847 -10.280  12.965
   19    HB1  ALA   3           HB1      ALA   3  20.009 -10.789  13.980
   20    HB2  ALA   3           HB2      ALA   3  19.987 -11.288  12.290
   21    HB3  ALA   3           HB3      ALA   3  19.820 -12.492  13.565
   22    H    GLN   4           HN       GLN   4  15.608 -11.630  12.758
   23    HA   GLN   4           HA       GLN   4  15.982 -13.951  11.028
   24    HB2  GLN   4           HB2      GLN   4  13.535 -14.184  11.170
   25    HB3  GLN   4           HB1      GLN   4  14.283 -14.126  12.761
   26    HG2  GLN   4           HG2      GLN   4  13.517 -11.945  13.164
   27    HG3  GLN   4           HG1      GLN   4  13.114 -11.687  11.467
   28   HE21  GLN   4          HE21      GLN   4  11.016 -11.091  12.022
   29   HE22  GLN   4          HE22      GLN   4   9.829 -12.251  12.509
   30    H    SER   5           HN       SER   5  14.746 -14.086   9.011
   31    HA   SER   5           HA       SER   5  14.044 -11.557   7.761
   32    HB2  SER   5           HB2      SER   5  16.070 -13.429   6.511
   33    HB3  SER   5           HB1      SER   5  15.492 -11.900   5.844
   34    HG   SER   5           HG       SER   5  16.371 -11.383   8.275
   35    H    ASP   6           HN       ASP   6  12.073 -11.912   7.026
   36    HA   ASP   6           HA       ASP   6  11.467 -14.524   5.796
   37    HB2  ASP   6           HB2      ASP   6  10.255 -14.190   7.920
   38    HB3  ASP   6           HB1      ASP   6   9.588 -12.683   7.302
   39    H    LYS   7           HN       LYS   7  10.062 -14.503   3.981
   40    HA   LYS   7           HA       LYS   7   9.443 -11.913   2.783
   41    HB2  LYS   7           HB2      LYS   7  11.228 -14.006   1.552
   42    HB3  LYS   7           HB1      LYS   7  10.351 -12.850   0.563
   43    HG2  LYS   7           HG2      LYS   7  12.181 -11.980   2.776
   44    HG3  LYS   7           HG1      LYS   7  12.762 -12.301   1.142
   45    HD2  LYS   7           HD2      LYS   7  11.640 -10.499   0.245
   46    HD3  LYS   7           HD1      LYS   7  10.431 -10.474   1.531
   47    HE2  LYS   7           HE2      LYS   7  13.314  -9.836   2.068
   48    HE3  LYS   7           HE1      LYS   7  12.196  -8.606   1.485
   49    HZ1  LYS   7           HZ1      LYS   7  11.717 -10.231   3.926
   50    HZ2  LYS   7           HZ2      LYS   7  10.857  -8.867   3.413
   51    HZ3  LYS   7           HZ3      LYS   7  12.456  -8.706   3.945
   52    H    ASP   8           HN       ASP   8   7.689 -13.789   3.944
   53    HA   ASP   8           HA       ASP   8   6.571 -15.400   1.823
   54    HB2  ASP   8           HB2      ASP   8   6.529 -16.008   4.303
   55    HB3  ASP   8           HB1      ASP   8   5.251 -14.806   4.467
   56    H    VAL   9           HN       VAL   9   4.504 -15.150   0.916
   57    HA   VAL   9           HA       VAL   9   3.656 -12.344   0.768
   58    HB   VAL   9           HB       VAL   9   4.236 -13.073  -1.390
   59   HG11  VAL   9          HG11      VAL   9   2.660 -15.584  -0.868
   60   HG12  VAL   9          HG12      VAL   9   4.407 -15.442  -1.033
   61   HG13  VAL   9          HG13      VAL   9   3.365 -15.143  -2.421
   62   HG21  VAL   9          HG21      VAL   9   2.200 -11.871  -1.504
   63   HG22  VAL   9          HG22      VAL   9   1.259 -13.290  -1.051
   64   HG23  VAL   9          HG23      VAL   9   2.061 -13.227  -2.620
   65    H    LYS  10           HN       LYS  10   1.958 -11.853   1.967
   66    HA   LYS  10           HA       LYS  10  -0.055 -13.932   2.476
   67    HB2  LYS  10           HB2      LYS  10   1.117 -12.676   4.383
   68    HB3  LYS  10           HB1      LYS  10   0.166 -11.281   3.892
   69    HG2  LYS  10           HG2      LYS  10  -1.884 -12.704   4.211
   70    HG3  LYS  10           HG1      LYS  10  -0.833 -13.907   4.954
   71    HD2  LYS  10           HD2      LYS  10  -0.054 -11.927   6.446
   72    HD3  LYS  10           HD1      LYS  10  -1.555 -11.167   5.916
   73    HE2  LYS  10           HE2      LYS  10  -1.233 -13.756   7.418
   74    HE3  LYS  10           HE1      LYS  10  -1.977 -12.266   7.990
   75    HZ1  LYS  10           HZ1      LYS  10  -3.014 -14.064   5.871
   76    HZ2  LYS  10           HZ2      LYS  10  -3.692 -12.567   6.263
   77    HZ3  LYS  10           HZ3      LYS  10  -3.676 -13.810   7.405
   78    H    TYR  11           HN       TYR  11  -1.925 -13.824   1.399
   79    HA   TYR  11           HA       TYR  11  -2.505 -11.557  -0.263
   80    HB2  TYR  11           HB2      TYR  11  -3.838 -14.202   0.234
   81    HB3  TYR  11           HB1      TYR  11  -4.689 -12.933  -0.644
   82    HD1  TYR  11           HD1      TYR  11  -3.104 -11.781  -2.522
   83    HD2  TYR  11           HD2      TYR  11  -2.756 -15.760  -1.070
   84    HE1  TYR  11           HE1      TYR  11  -1.954 -12.429  -4.597
   85    HE2  TYR  11           HE2      TYR  11  -1.603 -16.421  -3.136
   86    HH   TYR  11           HH       TYR  11  -0.332 -14.224  -5.319
   87    H    TYR  12           HN       TYR  12  -3.733  -9.873   0.176
   88    HA   TYR  12           HA       TYR  12  -5.370  -9.947   2.627
   89    HB2  TYR  12           HB2      TYR  12  -3.681  -7.784   1.415
   90    HB3  TYR  12           HB1      TYR  12  -5.060  -7.356   2.418
   91    HD1  TYR  12           HD2      TYR  12  -5.118  -8.110   4.794
   92    HD2  TYR  12           HD1      TYR  12  -1.652  -8.546   2.375
   93    HE1  TYR  12           HE2      TYR  12  -3.758  -8.405   6.817
   94    HE2  TYR  12           HE1      TYR  12  -0.276  -8.835   4.393
   95    HH   TYR  12           HH       TYR  12  -1.670  -9.299   7.514
   96    H    THR  13           HN       THR  13  -7.375  -8.858   2.613
   97    HA   THR  13           HA       THR  13  -8.708  -8.884   0.054
   98    HB   THR  13           HB       THR  13 -10.364  -7.805   2.122
   99    HG1  THR  13           HG1      THR  13  -9.814  -8.922   3.836
  100   HG21  THR  13          HG21      THR  13 -10.324 -10.590   0.944
  101   HG22  THR  13          HG22      THR  13 -11.073  -9.188   0.182
  102   HG23  THR  13          HG23      THR  13 -11.692  -9.787   1.720
  103    H    LEU  14           HN       LEU  14  -9.875  -7.070  -0.806
  104    HA   LEU  14           HA       LEU  14  -8.419  -4.680  -0.874
  105    HB2  LEU  14           HB2      LEU  14 -10.052  -5.575  -2.594
  106    HB3  LEU  14           HB1      LEU  14 -11.340  -4.969  -1.571
  107    HG   LEU  14           HG       LEU  14 -10.472  -2.677  -1.841
  108   HD11  LEU  14          HD11      LEU  14  -8.467  -3.992  -3.669
  109   HD12  LEU  14          HD12      LEU  14  -8.131  -3.127  -2.171
  110   HD13  LEU  14          HD13      LEU  14  -8.753  -2.256  -3.570
  111   HD21  LEU  14          HD21      LEU  14 -12.196  -3.471  -3.349
  112   HD22  LEU  14          HD22      LEU  14 -10.974  -4.149  -4.423
  113   HD23  LEU  14          HD23      LEU  14 -11.083  -2.402  -4.205
  114    H    GLU  15           HN       GLU  15 -11.422  -5.486   0.837
  115    HA   GLU  15           HA       GLU  15 -11.727  -2.896   1.998
  116    HB2  GLU  15           HB2      GLU  15 -13.398  -4.040   3.469
  117    HB3  GLU  15           HB1      GLU  15 -13.674  -4.260   1.748
  118    HG2  GLU  15           HG2      GLU  15 -12.096  -6.325   3.174
  119    HG3  GLU  15           HG1      GLU  15 -13.832  -6.256   3.468
  120    H    GLU  16           HN       GLU  16  -9.663  -5.475   2.696
  121    HA   GLU  16           HA       GLU  16  -9.445  -5.006   5.532
  122    HB2  GLU  16           HB2      GLU  16  -9.047  -7.230   4.664
  123    HB3  GLU  16           HB1      GLU  16  -7.778  -6.636   3.609
  124    HG2  GLU  16           HG2      GLU  16  -6.900  -7.805   5.564
  125    HG3  GLU  16           HG1      GLU  16  -6.381  -6.123   5.505
  126    H    ILE  17           HN       ILE  17  -7.401  -4.424   2.683
  127    HA   ILE  17           HA       ILE  17  -5.444  -2.984   4.191
  128    HB   ILE  17           HB       ILE  17  -4.503  -2.361   1.956
  129   HG12  ILE  17          HG12      ILE  17  -5.601  -4.098   0.181
  130   HG13  ILE  17          HG11      ILE  17  -7.036  -3.613   1.078
  131   HG21  ILE  17          HG21      ILE  17  -3.672  -4.578   1.483
  132   HG22  ILE  17          HG22      ILE  17  -5.010  -5.298   2.371
  133   HG23  ILE  17          HG23      ILE  17  -3.801  -4.347   3.225
  134   HD11  ILE  17          HD11      ILE  17  -6.649  -2.256  -0.931
  135   HD12  ILE  17          HD12      ILE  17  -5.113  -1.716  -0.250
  136   HD13  ILE  17          HD13      ILE  17  -6.627  -1.297   0.551
  137    H    LYS  18           HN       LYS  18  -8.280  -2.113   2.330
  138    HA   LYS  18           HA       LYS  18  -7.661   0.658   2.146
  139    HB2  LYS  18           HB2      LYS  18  -9.467   0.744   0.826
  140    HB3  LYS  18           HB1      LYS  18  -9.527  -1.002   0.994
  141    HG2  LYS  18           HG2      LYS  18 -11.589  -0.754   1.767
  142    HG3  LYS  18           HG1      LYS  18 -10.882  -0.051   3.225
  143    HD2  LYS  18           HD2      LYS  18 -12.543   1.464   2.380
  144    HD3  LYS  18           HD1      LYS  18 -10.952   2.173   2.102
  145    HE2  LYS  18           HE2      LYS  18 -11.100   1.103  -0.226
  146    HE3  LYS  18           HE1      LYS  18 -12.815   0.906   0.121
  147    HZ1  LYS  18           HZ1      LYS  18 -11.315   3.465   0.068
  148    HZ2  LYS  18           HZ2      LYS  18 -12.941   3.314   0.500
  149    HZ3  LYS  18           HZ3      LYS  18 -12.446   2.941  -1.074
  150    H    LYS  19           HN       LYS  19  -8.677  -1.283   4.711
  151    HA   LYS  19           HA       LYS  19  -9.668   1.059   6.194
  152    HB2  LYS  19           HB2      LYS  19 -11.139  -1.044   5.893
  153    HB3  LYS  19           HB1      LYS  19 -10.054  -1.805   7.040
  154    HG2  LYS  19           HG2      LYS  19 -12.100  -0.945   8.091
  155    HG3  LYS  19           HG1      LYS  19 -10.638  -0.209   8.743
  156    HD2  LYS  19           HD2      LYS  19 -12.432   1.435   8.387
  157    HD3  LYS  19           HD1      LYS  19 -11.005   1.786   7.413
  158    HE2  LYS  19           HE2      LYS  19 -12.957   2.112   6.054
  159    HE3  LYS  19           HE1      LYS  19 -12.128   0.662   5.492
  160    HZ1  LYS  19           HZ1      LYS  19 -14.543   0.386   5.647
  161    HZ2  LYS  19           HZ2      LYS  19 -14.473   0.669   7.313
  162    HZ3  LYS  19           HZ3      LYS  19 -13.716  -0.693   6.655
  163    H    HIS  20           HN       HIS  20  -6.945  -0.493   5.642
  164    HA   HIS  20           HA       HIS  20  -6.008  -0.860   8.364
  165    HB2  HIS  20           HB2      HIS  20  -5.344  -1.963   5.882
  166    HB3  HIS  20           HB1      HIS  20  -3.957  -0.966   6.309
  167    HD1  HIS  20           HD1      HIS  20  -5.942  -3.941   7.528
  168    HD2  HIS  20           HD2      HIS  20  -2.353  -1.983   8.295
  169    HE1  HIS  20           HE1      HIS  20  -4.668  -5.444   9.085
  170    HE2  HIS  20           HE2      HIS  20  -2.596  -4.146   9.694
  171    H    ASN  21           HN       ASN  21  -6.169   1.587   6.025
  172    HA   ASN  21           HA       ASN  21  -3.815   3.043   6.623
  173    HB2  ASN  21           HB2      ASN  21  -5.217   4.992   5.613
  174    HB3  ASN  21           HB1      ASN  21  -4.746   3.651   4.578
  175   HD21  ASN  21          HD21      ASN  21  -6.438   4.147   3.161
  176   HD22  ASN  21          HD22      ASN  21  -8.077   3.723   3.534
  177    H    HIS  22           HN       HIS  22  -3.417   3.629   8.693
  178    HA   HIS  22           HA       HIS  22  -5.366   5.419   9.934
  179    HB2  HIS  22           HB2      HIS  22  -4.181   2.994  11.286
  180    HB3  HIS  22           HB1      HIS  22  -4.937   4.312  12.171
  181    HD1  HIS  22           HD1      HIS  22  -7.533   4.802  11.172
  182    HD2  HIS  22           HD2      HIS  22  -5.894   1.002  10.785
  183    HE1  HIS  22           HE1      HIS  22  -9.483   3.259  10.793
  184    HE2  HIS  22           HE2      HIS  22  -8.439   1.010  10.327
  185    H    SER  23           HN       SER  23  -2.506   4.031  11.470
  186    HA   SER  23           HA       SER  23  -1.046   6.513  10.951
  187    HB2  SER  23           HB2      SER  23  -0.393   6.212  13.536
  188    HB3  SER  23           HB1      SER  23  -1.757   7.198  13.007
  189    HG   SER  23           HG       SER  23  -3.114   5.775  13.799
  190    H    LYS  24           HN       LYS  24  -0.786   3.422  12.729
  191    HA   LYS  24           HA       LYS  24   1.966   3.185  11.699
  192    HB2  LYS  24           HB2      LYS  24   2.259   1.564  13.647
  193    HB3  LYS  24           HB1      LYS  24   2.111   3.268  14.049
  194    HG2  LYS  24           HG2      LYS  24  -0.383   1.685  14.028
  195    HG3  LYS  24           HG1      LYS  24   0.770   1.349  15.320
  196    HD2  LYS  24           HD2      LYS  24   0.729   3.628  16.044
  197    HD3  LYS  24           HD1      LYS  24  -0.212   4.114  14.634
  198    HE2  LYS  24           HE2      LYS  24  -2.098   2.793  15.417
  199    HE3  LYS  24           HE1      LYS  24  -1.154   2.238  16.795
  200    HZ1  LYS  24           HZ1      LYS  24  -0.989   4.559  17.522
  201    HZ2  LYS  24           HZ2      LYS  24  -2.590   4.016  17.466
  202    HZ3  LYS  24           HZ3      LYS  24  -1.997   5.027  16.248
  203    H    SER  25           HN       SER  25  -0.400   2.442  10.267
  204    HA   SER  25           HA       SER  25   0.339  -0.286   9.633
  205    HB2  SER  25           HB2      SER  25  -2.585   0.300  10.097
  206    HB3  SER  25           HB1      SER  25  -1.785  -1.263   9.946
  207    HG   SER  25           HG       SER  25  -0.612  -0.425  11.962
  208    H    THR  26           HN       THR  26   0.419   2.431   8.497
  209    HA   THR  26           HA       THR  26  -1.500   2.635   6.396
  210    HB   THR  26           HB       THR  26   1.158   4.044   6.544
  211    HG1  THR  26           HG1      THR  26   0.461   4.842   8.379
  212   HG21  THR  26          HG21      THR  26  -0.025   5.846   5.416
  213   HG22  THR  26          HG22      THR  26  -1.535   4.938   5.503
  214   HG23  THR  26          HG23      THR  26  -0.210   4.350   4.498
  215    H    TRP  27           HN       TRP  27  -1.522   1.294   4.709
  216    HA   TRP  27           HA       TRP  27   1.053   0.478   3.536
  217    HB2  TRP  27           HB2      TRP  27  -1.565  -1.044   3.603
  218    HB3  TRP  27           HB1      TRP  27  -0.138  -1.552   2.710
  219    HD1  TRP  27           HD1      TRP  27   1.581  -0.430   5.519
  220    HE1  TRP  27           HE1      TRP  27   1.854  -2.198   7.364
  221    HE3  TRP  27           HE3      TRP  27  -2.051  -3.704   4.038
  222    HZ2  TRP  27           HZ2      TRP  27   0.681  -4.658   8.098
  223    HZ3  TRP  27           HZ3      TRP  27  -2.413  -5.742   5.367
  224    HH2  TRP  27           HH2      TRP  27  -1.073  -6.209   7.354
  225    H    LEU  28           HN       LEU  28   1.163   0.365   1.242
  226    HA   LEU  28           HA       LEU  28  -0.997   1.784  -0.178
  227    HB2  LEU  28           HB2      LEU  28   1.985   2.150  -0.500
  228    HB3  LEU  28           HB1      LEU  28   0.805   2.759  -1.643
  229    HG   LEU  28           HG       LEU  28  -0.096   3.819   0.721
  230   HD11  LEU  28          HD11      LEU  28   1.877   3.041   1.914
  231   HD12  LEU  28          HD12      LEU  28   1.845   4.803   1.820
  232   HD13  LEU  28          HD13      LEU  28   2.916   3.881   0.760
  233   HD21  LEU  28          HD21      LEU  28   0.794   5.925  -0.124
  234   HD22  LEU  28          HD22      LEU  28   0.097   4.965  -1.427
  235   HD23  LEU  28          HD23      LEU  28   1.847   5.046  -1.233
  236    H    ILE  29           HN       ILE  29  -1.293   1.198  -2.382
  237    HA   ILE  29           HA       ILE  29  -0.254  -1.478  -3.004
  238    HB   ILE  29           HB       ILE  29  -2.650  -0.017  -4.131
  239   HG12  ILE  29          HG12      ILE  29  -2.470  -2.492  -2.403
  240   HG13  ILE  29          HG11      ILE  29  -2.944  -0.893  -1.839
  241   HG21  ILE  29          HG21      ILE  29  -3.141  -2.136  -5.311
  242   HG22  ILE  29          HG22      ILE  29  -1.579  -2.761  -4.786
  243   HG23  ILE  29          HG23      ILE  29  -1.653  -1.373  -5.869
  244   HD11  ILE  29          HD11      ILE  29  -4.417  -2.472  -3.933
  245   HD12  ILE  29          HD12      ILE  29  -4.920  -0.947  -3.205
  246   HD13  ILE  29          HD13      ILE  29  -4.848  -2.410  -2.225
  247    H    LEU  30           HN       LEU  30   1.309  -1.633  -4.428
  248    HA   LEU  30           HA       LEU  30   1.440   0.310  -6.639
  249    HB2  LEU  30           HB2      LEU  30   3.786  -0.758  -5.061
  250    HB3  LEU  30           HB1      LEU  30   3.904   0.239  -6.496
  251    HG   LEU  30           HG       LEU  30   2.551   1.179  -3.973
  252   HD11  LEU  30          HD11      LEU  30   4.629   2.381  -3.483
  253   HD12  LEU  30          HD12      LEU  30   5.413   1.566  -4.835
  254   HD13  LEU  30          HD13      LEU  30   4.855   0.633  -3.449
  255   HD21  LEU  30          HD21      LEU  30   3.660   2.642  -6.369
  256   HD22  LEU  30          HD22      LEU  30   2.932   3.387  -4.944
  257   HD23  LEU  30          HD23      LEU  30   1.952   2.379  -6.007
  258    H    HIS  31           HN       HIS  31   1.140  -0.768  -8.458
  259    HA   HIS  31           HA       HIS  31   1.293  -2.337 -10.097
  260    HB2  HIS  31           HB2      HIS  31   3.605  -3.465  -8.493
  261    HB3  HIS  31           HB1      HIS  31   3.211  -3.866 -10.161
  262    HD1  HIS  31           HD1      HIS  31   3.356  -1.713 -11.853
  263    HD2  HIS  31           HD2      HIS  31   5.372  -1.433  -8.232
  264    HE1  HIS  31           HE1      HIS  31   5.026   0.137 -12.151
  265    HE2  HIS  31           HE2      HIS  31   6.389   0.118 -10.035
  266    H    HIS  32           HN       HIS  32  -0.502  -2.679  -7.995
  267    HA   HIS  32           HA       HIS  32  -2.039  -4.163  -7.238
  268    HB2  HIS  32           HB2      HIS  32  -0.600  -6.054  -9.102
  269    HB3  HIS  32           HB1      HIS  32  -2.059  -6.484  -8.216
  270    HD1  HIS  32           HD1      HIS  32  -1.090  -5.437 -11.431
  271    HD2  HIS  32           HD2      HIS  32  -4.187  -4.360  -8.875
  272    HE1  HIS  32           HE1      HIS  32  -2.843  -4.386 -12.897
  273    HE2  HIS  32           HE2      HIS  32  -4.708  -3.744 -11.332
  274    H    LYS  33           HN       LYS  33   0.838  -3.947  -6.160
  275    HA   LYS  33           HA       LYS  33   0.707  -6.312  -4.411
  276    HB2  LYS  33           HB2      LYS  33   3.141  -4.707  -5.228
  277    HB3  LYS  33           HB1      LYS  33   3.146  -6.080  -4.132
  278    HG2  LYS  33           HG2      LYS  33   2.619  -7.593  -5.860
  279    HG3  LYS  33           HG1      LYS  33   2.178  -6.292  -6.965
  280    HD2  LYS  33           HD2      LYS  33   4.327  -7.135  -7.616
  281    HD3  LYS  33           HD1      LYS  33   4.552  -5.530  -6.914
  282    HE2  LYS  33           HE2      LYS  33   5.488  -6.383  -4.961
  283    HE3  LYS  33           HE1      LYS  33   4.817  -7.993  -5.228
  284    HZ1  LYS  33           HZ1      LYS  33   6.871  -6.801  -7.003
  285    HZ2  LYS  33           HZ2      LYS  33   6.383  -8.418  -6.919
  286    HZ3  LYS  33           HZ3      LYS  33   7.270  -7.735  -5.653
  287    H    VAL  34           HN       VAL  34   0.861  -5.996  -2.210
  288    HA   VAL  34           HA       VAL  34   0.395  -3.247  -1.325
  289    HB   VAL  34           HB       VAL  34   0.181  -5.788   0.307
  290   HG11  VAL  34          HG11      VAL  34  -1.161  -4.412   1.822
  291   HG12  VAL  34          HG12      VAL  34  -0.883  -3.005   0.792
  292   HG13  VAL  34          HG13      VAL  34   0.468  -3.765   1.635
  293   HG21  VAL  34          HG21      VAL  34  -2.012  -4.259  -1.091
  294   HG22  VAL  34          HG22      VAL  34  -2.217  -5.678  -0.065
  295   HG23  VAL  34          HG23      VAL  34  -1.366  -5.816  -1.603
  296    H    TYR  35           HN       TYR  35   1.933  -2.080  -0.399
  297    HA   TYR  35           HA       TYR  35   4.291  -3.485   0.671
  298    HB2  TYR  35           HB2      TYR  35   4.064  -0.776  -0.642
  299    HB3  TYR  35           HB1      TYR  35   5.513  -1.337   0.185
  300    HD1  TYR  35           HD2      TYR  35   6.867  -3.130  -0.767
  301    HD2  TYR  35           HD1      TYR  35   3.439  -1.661  -2.803
  302    HE1  TYR  35           HE2      TYR  35   7.636  -4.218  -2.831
  303    HE2  TYR  35           HE1      TYR  35   4.197  -2.749  -4.874
  304    HH   TYR  35           HH       TYR  35   6.466  -3.517  -5.835
  305    H    ASP  36           HN       ASP  36   4.804  -3.217   2.714
  306    HA   ASP  36           HA       ASP  36   3.235  -1.365   4.342
  307    HB2  ASP  36           HB2      ASP  36   3.199  -3.501   5.319
  308    HB3  ASP  36           HB1      ASP  36   4.895  -3.796   4.955
  309    H    LEU  37           HN       LEU  37   4.074   0.588   4.402
  310    HA   LEU  37           HA       LEU  37   6.855   0.880   5.253
  311    HB2  LEU  37           HB2      LEU  37   7.227   2.693   3.651
  312    HB3  LEU  37           HB1      LEU  37   6.916   1.167   2.846
  313    HG   LEU  37           HG       LEU  37   4.522   2.820   3.237
  314   HD11  LEU  37          HD11      LEU  37   5.067   4.406   1.472
  315   HD12  LEU  37          HD12      LEU  37   6.705   3.757   1.377
  316   HD13  LEU  37          HD13      LEU  37   6.167   4.589   2.836
  317   HD21  LEU  37          HD21      LEU  37   4.135   2.152   0.920
  318   HD22  LEU  37          HD22      LEU  37   4.551   0.763   1.923
  319   HD23  LEU  37          HD23      LEU  37   5.756   1.463   0.844
  320    H    THR  38           HN       THR  38   4.400   1.047   6.674
  321    HA   THR  38           HA       THR  38   3.465   3.678   6.973
  322    HB   THR  38           HB       THR  38   2.356   1.552   7.807
  323    HG1  THR  38           HG1      THR  38   2.598   3.843   9.488
  324   HG21  THR  38          HG21      THR  38   4.324   1.960  10.055
  325   HG22  THR  38          HG22      THR  38   4.128   0.530   9.047
  326   HG23  THR  38          HG23      THR  38   2.865   0.979  10.190
  327    H    LYS  39           HN       LYS  39   6.361   2.171   8.052
  328    HA   LYS  39           HA       LYS  39   6.855   4.295  10.005
  329    HB2  LYS  39           HB2      LYS  39   8.400   1.771   9.381
  330    HB3  LYS  39           HB1      LYS  39   8.859   2.944  10.608
  331    HG2  LYS  39           HG2      LYS  39   6.309   1.343  10.579
  332    HG3  LYS  39           HG1      LYS  39   7.724   1.013  11.576
  333    HD2  LYS  39           HD2      LYS  39   7.448   3.116  12.736
  334    HD3  LYS  39           HD1      LYS  39   6.122   3.569  11.667
  335    HE2  LYS  39           HE2      LYS  39   4.796   1.703  12.512
  336    HE3  LYS  39           HE1      LYS  39   6.123   1.226  13.565
  337    HZ1  LYS  39           HZ1      LYS  39   4.432   2.502  14.744
  338    HZ2  LYS  39           HZ2      LYS  39   4.680   3.815  13.710
  339    HZ3  LYS  39           HZ3      LYS  39   5.916   3.306  14.742
  340    H    PHE  40           HN       PHE  40   7.023   4.140   6.848
  341    HA   PHE  40           HA       PHE  40   9.627   5.513   6.670
  342    HB2  PHE  40           HB2      PHE  40   9.229   3.324   5.345
  343    HB3  PHE  40           HB1      PHE  40   8.186   4.303   4.321
  344    HD1  PHE  40           HD1      PHE  40  11.633   4.315   5.740
  345    HD2  PHE  40           HD2      PHE  40   9.103   5.316   2.467
  346    HE1  PHE  40           HE1      PHE  40  13.598   5.039   4.447
  347    HE2  PHE  40           HE2      PHE  40  11.061   6.040   1.167
  348    HZ   PHE  40           HZ       PHE  40  13.311   5.904   2.157
  349    H    LEU  41           HN       LEU  41   6.400   6.067   6.832
  350    HA   LEU  41           HA       LEU  41   5.793   7.825   4.747
  351    HB2  LEU  41           HB2      LEU  41   4.844   8.075   7.600
  352    HB3  LEU  41           HB1      LEU  41   4.050   8.707   6.173
  353    HG   LEU  41           HG       LEU  41   4.391   5.778   6.831
  354   HD11  LEU  41          HD11      LEU  41   2.825   6.949   8.319
  355   HD12  LEU  41          HD12      LEU  41   2.005   5.801   7.260
  356   HD13  LEU  41          HD13      LEU  41   1.938   7.529   6.909
  357   HD21  LEU  41          HD21      LEU  41   2.989   7.185   4.565
  358   HD22  LEU  41          HD22      LEU  41   2.776   5.480   4.958
  359   HD23  LEU  41          HD23      LEU  41   4.355   6.077   4.451
  360    H    GLU  42           HN       GLU  42   6.979   8.599   8.008
  361    HA   GLU  42           HA       GLU  42   7.366  11.369   7.428
  362    HB2  GLU  42           HB2      GLU  42   8.576  11.340   9.640
  363    HB3  GLU  42           HB1      GLU  42   6.918  10.754   9.688
  364    HG2  GLU  42           HG2      GLU  42   7.525   8.666  10.237
  365    HG3  GLU  42           HG1      GLU  42   8.960   8.699   9.217
  366    H    GLU  43           HN       GLU  43   9.192   8.549   6.850
  367    HA   GLU  43           HA       GLU  43  11.717  10.010   6.678
  368    HB2  GLU  43           HB2      GLU  43  11.446   7.088   6.067
  369    HB3  GLU  43           HB1      GLU  43  12.811   7.959   6.754
  370    HG2  GLU  43           HG2      GLU  43  10.968   8.336   8.686
  371    HG3  GLU  43           HG1      GLU  43  10.472   6.761   8.071
  372    H    HIS  44           HN       HIS  44   9.264  10.037   4.818
  373    HA   HIS  44           HA       HIS  44  10.497   9.198   2.315
  374    HB2  HIS  44           HB2      HIS  44   8.137   8.591   2.766
  375    HB3  HIS  44           HB1      HIS  44   7.729  10.301   2.855
  376    HD1  HIS  44           HD1      HIS  44   6.861  11.257   0.727
  377    HD2  HIS  44           HD2      HIS  44   9.231   7.896   0.093
  378    HE1  HIS  44           HE1      HIS  44   6.778  10.786  -1.757
  379    HA   PRO  45           HA       PRO  45  11.935  13.420   1.844
  380    HB2  PRO  45           HB2      PRO  45  13.071  13.054  -0.605
  381    HB3  PRO  45           HB1      PRO  45  13.841  12.548   0.905
  382    HG2  PRO  45           HG2      PRO  45  12.313  10.911  -1.066
  383    HG3  PRO  45           HG1      PRO  45  13.810  10.518  -0.199
  384    HD2  PRO  45           HD2      PRO  45  11.403   9.565   0.559
  385    HD3  PRO  45           HD1      PRO  45  12.700   9.923   1.720
  386    H    GLY  46           HN       GLY  46   9.937  14.445   1.647
  387    HA2  GLY  46           HA2      GLY  46   9.243  15.910  -0.426
  388    HA3  GLY  46           HA1      GLY  46   8.573  14.365  -0.937
  389    H    GLY  47           HN       GLY  47   8.082  13.709   1.967
  390    HA2  GLY  47           HA2      GLY  47   6.642  14.802   3.660
  391    HA3  GLY  47           HA1      GLY  47   5.711  15.429   2.311
  392    H    GLU  48           HN       GLU  48   4.710  13.897   4.492
  393    HA   GLU  48           HA       GLU  48   4.161  11.260   3.385
  394    HB2  GLU  48           HB2      GLU  48   2.929  10.924   5.537
  395    HB3  GLU  48           HB1      GLU  48   4.633  11.319   5.739
  396    HG2  GLU  48           HG2      GLU  48   4.196  13.385   6.615
  397    HG3  GLU  48           HG1      GLU  48   2.651  13.533   5.779
  398    H    GLU  49           HN       GLU  49   2.893  14.324   3.161
  399    HA   GLU  49           HA       GLU  49   0.140  14.026   3.342
  400    HB2  GLU  49           HB2      GLU  49   1.485  16.152   2.981
  401    HB3  GLU  49           HB1      GLU  49   1.515  15.732   1.274
  402    HG2  GLU  49           HG2      GLU  49  -0.311  17.059   1.259
  403    HG3  GLU  49           HG1      GLU  49  -1.102  15.541   1.685
  404    H    VAL  50           HN       VAL  50   2.294  13.352   0.617
  405    HA   VAL  50           HA       VAL  50   0.145  12.693  -1.165
  406    HB   VAL  50           HB       VAL  50   1.936  11.872  -2.678
  407   HG11  VAL  50          HG11      VAL  50   2.911  14.049  -3.119
  408   HG12  VAL  50          HG12      VAL  50   2.474  14.600  -1.502
  409   HG13  VAL  50          HG13      VAL  50   1.213  14.226  -2.676
  410   HG21  VAL  50          HG21      VAL  50   4.280  12.232  -2.062
  411   HG22  VAL  50          HG22      VAL  50   3.506  11.057  -1.001
  412   HG23  VAL  50          HG23      VAL  50   3.780  12.704  -0.440
  413    H    LEU  51           HN       LEU  51   1.808  10.991   1.282
  414    HA   LEU  51           HA       LEU  51   1.289   8.382   0.107
  415    HB2  LEU  51           HB2      LEU  51   2.515   9.152   2.751
  416    HB3  LEU  51           HB1      LEU  51   2.349   7.507   2.165
  417    HG   LEU  51           HG       LEU  51   3.993   9.661   0.835
  418   HD11  LEU  51          HD11      LEU  51   4.783   7.316   2.548
  419   HD12  LEU  51          HD12      LEU  51   5.012   9.024   2.911
  420   HD13  LEU  51          HD13      LEU  51   5.905   8.277   1.590
  421   HD21  LEU  51          HD21      LEU  51   3.661   6.726   0.231
  422   HD22  LEU  51          HD22      LEU  51   4.875   7.776  -0.498
  423   HD23  LEU  51          HD23      LEU  51   3.161   8.078  -0.785
  424    H    ARG  52           HN       ARG  52   0.134  10.378   2.784
  425    HA   ARG  52           HA       ARG  52  -1.515   8.427   3.970
  426    HB2  ARG  52           HB2      ARG  52  -2.650  10.306   5.086
  427    HB3  ARG  52           HB1      ARG  52  -0.900  10.437   5.180
  428    HG2  ARG  52           HG2      ARG  52  -0.860  12.141   3.520
  429    HG3  ARG  52           HG1      ARG  52  -2.568  11.898   3.146
  430    HD2  ARG  52           HD2      ARG  52  -2.232  13.887   4.527
  431    HD3  ARG  52           HD1      ARG  52  -3.180  12.666   5.373
  432    HE   ARG  52           HE       ARG  52  -0.533  12.261   6.104
  433   HH11  ARG  52          HH11      ARG  52  -2.915  14.842   6.361
  434   HH12  ARG  52          HH12      ARG  52  -2.251  15.441   7.924
  435   HH21  ARG  52          HH21      ARG  52   0.338  12.996   8.058
  436   HH22  ARG  52          HH22      ARG  52  -0.435  14.415   8.877
  437    H    GLU  53           HN       GLU  53  -2.045  10.536   1.225
  438    HA   GLU  53           HA       GLU  53  -4.883  10.123   1.187
  439    HB2  GLU  53           HB2      GLU  53  -4.777  11.201  -1.054
  440    HB3  GLU  53           HB1      GLU  53  -4.062  12.157   0.234
  441    HG2  GLU  53           HG2      GLU  53  -1.898  11.786  -0.522
  442    HG3  GLU  53           HG1      GLU  53  -2.377  10.396  -1.495
  443    H    GLN  54           HN       GLN  54  -2.111   8.584  -0.279
  444    HA   GLN  54           HA       GLN  54  -3.813   6.948  -1.980
  445    HB2  GLN  54           HB2      GLN  54  -0.812   7.064  -1.661
  446    HB3  GLN  54           HB1      GLN  54  -1.649   5.998  -2.780
  447    HG2  GLN  54           HG2      GLN  54  -1.677   9.004  -2.816
  448    HG3  GLN  54           HG1      GLN  54  -0.824   7.948  -3.939
  449   HE21  GLN  54          HE21      GLN  54  -2.950   9.994  -4.318
  450   HE22  GLN  54          HE22      GLN  54  -4.193   9.174  -5.199
  451    H    ALA  55           HN       ALA  55  -3.040   6.889   1.152
  452    HA   ALA  55           HA       ALA  55  -2.173   4.259   1.650
  453    HB1  ALA  55           HB1      ALA  55  -3.832   6.084   3.389
  454    HB2  ALA  55           HB2      ALA  55  -2.069   6.036   3.324
  455    HB3  ALA  55           HB3      ALA  55  -2.968   4.644   3.928
  456    H    GLY  56           HN       GLY  56  -3.212   2.426   1.234
  457    HA2  GLY  56           HA2      GLY  56  -4.965   0.889   1.314
  458    HA3  GLY  56           HA1      GLY  56  -6.046   2.185   1.806
  459    H    GLY  57           HN       GLY  57  -4.118   2.899  -0.896
  460    HA2  GLY  57           HA2      GLY  57  -6.215   2.055  -2.778
  461    HA3  GLY  57           HA1      GLY  57  -5.689   3.732  -2.748
  462    H    ASP  58           HN       ASP  58  -5.391   2.802  -5.098
  463    HA   ASP  58           HA       ASP  58  -2.798   1.494  -5.409
  464    HB2  ASP  58           HB2      ASP  58  -4.934   0.898  -6.741
  465    HB3  ASP  58           HB1      ASP  58  -4.608   2.368  -7.650
  466    H    ALA  59           HN       ALA  59  -1.047   2.712  -5.525
  467    HA   ALA  59           HA       ALA  59  -1.316   5.451  -6.577
  468    HB1  ALA  59           HB1      ALA  59   0.370   6.176  -5.133
  469    HB2  ALA  59           HB2      ALA  59   0.931   4.535  -4.818
  470    HB3  ALA  59           HB3      ALA  59  -0.603   5.083  -4.149
  471    H    THR  60           HN       THR  60  -0.670   2.754  -7.935
  472    HA   THR  60           HA       THR  60   1.996   2.684  -8.732
  473    HB   THR  60           HB       THR  60  -0.381   1.946 -10.444
  474    HG1  THR  60           HG1      THR  60  -0.642   0.787  -8.600
  475   HG21  THR  60          HG21      THR  60   2.479   0.974 -10.437
  476   HG22  THR  60          HG22      THR  60   1.711   1.958 -11.684
  477   HG23  THR  60          HG23      THR  60   1.179   0.297 -11.417
  478    H    GLU  61           HN       GLU  61  -0.717   4.451 -10.189
  479    HA   GLU  61           HA       GLU  61   0.670   5.442 -12.416
  480    HB2  GLU  61           HB2      GLU  61  -1.151   7.187 -12.456
  481    HB3  GLU  61           HB1      GLU  61  -1.699   5.519 -12.454
  482    HG2  GLU  61           HG2      GLU  61  -2.418   5.633 -10.233
  483    HG3  GLU  61           HG1      GLU  61  -1.497   7.105  -9.924
  484    H    ASN  62           HN       ASN  62   0.233   6.780  -9.171
  485    HA   ASN  62           HA       ASN  62   1.481   9.273  -9.744
  486    HB2  ASN  62           HB2      ASN  62  -0.085   8.475  -7.746
  487    HB3  ASN  62           HB1      ASN  62   1.465   8.170  -6.974
  488   HD21  ASN  62          HD21      ASN  62   2.855  10.358  -8.227
  489   HD22  ASN  62          HD22      ASN  62   2.246  11.813  -7.511
  490    H    PHE  63           HN       PHE  63   2.592   6.146  -8.702
  491    HA   PHE  63           HA       PHE  63   5.141   6.858  -7.735
  492    HB2  PHE  63           HB2      PHE  63   3.925   4.661  -7.422
  493    HB3  PHE  63           HB1      PHE  63   4.394   4.251  -9.067
  494    HD1  PHE  63           HD2      PHE  63   5.643   4.913  -5.663
  495    HD2  PHE  63           HD1      PHE  63   6.600   3.532  -9.575
  496    HE1  PHE  63           HE2      PHE  63   7.780   4.020  -4.826
  497    HE2  PHE  63           HE1      PHE  63   8.733   2.636  -8.743
  498    HZ   PHE  63           HZ       PHE  63   9.327   2.876  -6.369
  499    H    GLU  64           HN       GLU  64   4.125   5.668 -10.941
  500    HA   GLU  64           HA       GLU  64   6.772   6.032 -12.002
  501    HB2  GLU  64           HB2      GLU  64   5.624   5.477 -14.207
  502    HB3  GLU  64           HB1      GLU  64   5.645   4.232 -12.970
  503    HG2  GLU  64           HG2      GLU  64   3.352   4.671 -12.410
  504    HG3  GLU  64           HG1      GLU  64   3.316   6.059 -13.499
  505    H    ASP  65           HN       ASP  65   3.959   8.004 -11.712
  506    HA   ASP  65           HA       ASP  65   4.412   9.735 -13.898
  507    HB2  ASP  65           HB2      ASP  65   2.284   9.803 -12.726
  508    HB3  ASP  65           HB1      ASP  65   3.084  10.288 -11.233
  509    H    VAL  66           HN       VAL  66   5.455   9.853 -10.521
  510    HA   VAL  66           HA       VAL  66   6.937  12.275 -10.832
  511    HB   VAL  66           HB       VAL  66   7.062  10.160  -8.672
  512   HG11  VAL  66          HG11      VAL  66   9.146  11.467  -8.813
  513   HG12  VAL  66          HG12      VAL  66   8.249  11.791  -7.328
  514   HG13  VAL  66          HG13      VAL  66   8.205  12.954  -8.653
  515   HG21  VAL  66          HG21      VAL  66   4.896  11.301  -8.865
  516   HG22  VAL  66          HG22      VAL  66   5.711  12.860  -8.717
  517   HG23  VAL  66          HG23      VAL  66   5.727  11.724  -7.366
  518    H    GLY  67           HN       GLY  67   7.771   8.833 -10.750
  519    HA2  GLY  67           HA2      GLY  67   9.520   7.854 -11.989
  520    HA3  GLY  67           HA1      GLY  67  10.251   9.446 -12.173
  521    H    HIS  68           HN       HIS  68  10.485   6.533 -10.609
  522    HA   HIS  68           HA       HIS  68  11.984   7.719  -8.372
  523    HB2  HIS  68           HB2      HIS  68  10.448   5.143  -8.600
  524    HB3  HIS  68           HB1      HIS  68  11.678   5.367  -7.361
  525    HD1  HIS  68           HD1      HIS  68   8.399   6.962  -8.488
  526    HD2  HIS  68           HD2      HIS  68  10.840   6.632  -5.141
  527    HE1  HIS  68           HE1      HIS  68   7.146   8.055  -6.587
  528    H    SER  69           HN       SER  69  13.796   6.301  -7.591
  529    HA   SER  69           HA       SER  69  15.523   5.735  -9.830
  530    HB2  SER  69           HB2      SER  69  17.156   5.234  -7.896
  531    HB3  SER  69           HB1      SER  69  16.585   6.894  -8.073
  532    HG   SER  69           HG       SER  69  15.936   6.701  -6.080
  533    H    THR  70           HN       THR  70  16.859   3.732  -9.858
  534    HA   THR  70           HA       THR  70  15.217   1.424  -9.827
  535    HB   THR  70           HB       THR  70  17.824   0.492  -9.918
  536    HG1  THR  70           HG1      THR  70  18.029   2.633 -11.635
  537   HG21  THR  70          HG21      THR  70  16.172   1.518 -12.225
  538   HG22  THR  70          HG22      THR  70  15.957  -0.049 -11.447
  539   HG23  THR  70          HG23      THR  70  17.455   0.310 -12.306
  540    H    ASP  71           HN       ASP  71  17.224   2.931  -7.469
  541    HA   ASP  71           HA       ASP  71  17.648   0.591  -5.869
  542    HB2  ASP  71           HB2      ASP  71  19.160   2.570  -5.815
  543    HB3  ASP  71           HB1      ASP  71  17.872   3.498  -5.056
  544    H    ALA  72           HN       ALA  72  15.328   3.225  -5.940
  545    HA   ALA  72           HA       ALA  72  14.090   2.786  -3.470
  546    HB1  ALA  72           HB1      ALA  72  12.850   3.844  -6.010
  547    HB2  ALA  72           HB2      ALA  72  13.742   4.795  -4.823
  548    HB3  ALA  72           HB3      ALA  72  12.212   4.042  -4.378
  549    H    ARG  73           HN       ARG  73  13.329   1.462  -6.685
  550    HA   ARG  73           HA       ARG  73  11.099  -0.050  -5.805
  551    HB2  ARG  73           HB2      ARG  73  11.445  -1.304  -7.989
  552    HB3  ARG  73           HB1      ARG  73  11.181   0.428  -8.116
  553    HG2  ARG  73           HG2      ARG  73  12.980   0.482  -9.407
  554    HG3  ARG  73           HG1      ARG  73  13.925   0.203  -7.944
  555    HD2  ARG  73           HD2      ARG  73  14.689  -1.494  -9.285
  556    HD3  ARG  73           HD1      ARG  73  13.373  -2.312  -8.441
  557    HE   ARG  73           HE       ARG  73  12.562  -1.082 -10.905
  558   HH11  ARG  73          HH11      ARG  73  14.021  -3.938  -9.437
  559   HH12  ARG  73          HH12      ARG  73  13.537  -5.020 -10.806
  560   HH21  ARG  73          HH21      ARG  73  11.936  -2.418 -12.655
  561   HH22  ARG  73          HH22      ARG  73  12.364  -4.169 -12.600
  562    H    GLU  74           HN       GLU  74  14.534  -0.695  -5.916
  563    HA   GLU  74           HA       GLU  74  14.288  -3.512  -5.467
  564    HB2  GLU  74           HB2      GLU  74  16.607  -1.603  -5.173
  565    HB3  GLU  74           HB1      GLU  74  16.737  -3.329  -4.866
  566    HG2  GLU  74           HG2      GLU  74  15.953  -2.062  -7.487
  567    HG3  GLU  74           HG1      GLU  74  17.528  -2.749  -7.097
  568    H    LEU  75           HN       LEU  75  14.687  -0.668  -3.449
  569    HA   LEU  75           HA       LEU  75  15.116  -2.031  -0.999
  570    HB2  LEU  75           HB2      LEU  75  15.677   0.340  -1.335
  571    HB3  LEU  75           HB1      LEU  75  13.974   0.719  -1.517
  572    HG   LEU  75           HG       LEU  75  13.674  -0.154   0.856
  573   HD11  LEU  75          HD11      LEU  75  15.659  -0.121   2.273
  574   HD12  LEU  75          HD12      LEU  75  16.671   0.148   0.854
  575   HD13  LEU  75          HD13      LEU  75  15.776  -1.361   1.025
  576   HD21  LEU  75          HD21      LEU  75  14.381   1.963   1.842
  577   HD22  LEU  75          HD22      LEU  75  13.617   2.217   0.272
  578   HD23  LEU  75          HD23      LEU  75  15.373   2.302   0.420
  579    H    SER  76           HN       SER  76  12.313  -1.254  -2.862
  580    HA   SER  76           HA       SER  76  10.378  -1.506  -0.808
  581    HB2  SER  76           HB2      SER  76  10.092  -1.847  -3.799
  582    HB3  SER  76           HB1      SER  76   8.754  -1.674  -2.662
  583    HG   SER  76           HG       SER  76  10.800   0.238  -3.176
  584    H    LYS  77           HN       LYS  77  12.337  -3.819  -2.265
  585    HA   LYS  77           HA       LYS  77  10.557  -6.018  -2.401
  586    HB2  LYS  77           HB2      LYS  77  13.542  -5.760  -2.276
  587    HB3  LYS  77           HB1      LYS  77  12.773  -7.341  -2.221
  588    HG2  LYS  77           HG2      LYS  77  11.791  -7.007  -4.376
  589    HG3  LYS  77           HG1      LYS  77  12.322  -5.325  -4.407
  590    HD2  LYS  77           HD2      LYS  77  14.618  -5.984  -4.534
  591    HD3  LYS  77           HD1      LYS  77  14.198  -7.678  -4.271
  592    HE2  LYS  77           HE2      LYS  77  13.011  -7.730  -6.389
  593    HE3  LYS  77           HE1      LYS  77  13.354  -6.022  -6.645
  594    HZ1  LYS  77           HZ1      LYS  77  15.532  -7.977  -6.280
  595    HZ2  LYS  77           HZ2      LYS  77  15.603  -6.443  -6.986
  596    HZ3  LYS  77           HZ3      LYS  77  14.833  -7.719  -7.797
  597    H    THR  78           HN       THR  78  11.876  -4.385   0.273
  598    HA   THR  78           HA       THR  78  11.452  -6.740   1.973
  599    HB   THR  78           HB       THR  78  13.640  -5.456   2.151
  600    HG1  THR  78           HG1      THR  78  12.210  -5.513   4.602
  601   HG21  THR  78          HG21      THR  78  12.706  -3.184   2.049
  602   HG22  THR  78          HG22      THR  78  13.641  -3.433   3.523
  603   HG23  THR  78          HG23      THR  78  11.879  -3.462   3.582
  604    H    PHE  79           HN       PHE  79   9.857  -4.077   0.853
  605    HA   PHE  79           HA       PHE  79   8.360  -3.590   3.311
  606    HB2  PHE  79           HB2      PHE  79   8.322  -2.238   0.609
  607    HB3  PHE  79           HB1      PHE  79   7.186  -1.847   1.893
  608    HD1  PHE  79           HD1      PHE  79   9.075  -1.987   4.235
  609    HD2  PHE  79           HD2      PHE  79   9.475  -0.226   0.384
  610    HE1  PHE  79           HE1      PHE  79  10.681  -0.366   5.150
  611    HE2  PHE  79           HE2      PHE  79  11.088   1.397   1.292
  612    HZ   PHE  79           HZ       PHE  79  11.695   1.329   3.673
  613    H    ILE  80           HN       ILE  80   8.168  -5.329   0.367
  614    HA   ILE  80           HA       ILE  80   5.351  -5.526   0.170
  615    HB   ILE  80           HB       ILE  80   6.642  -6.002  -1.775
  616   HG12  ILE  80          HG12      ILE  80   5.948  -8.470  -2.209
  617   HG13  ILE  80          HG11      ILE  80   5.195  -8.363  -0.620
  618   HG21  ILE  80          HG21      ILE  80   8.710  -6.707  -0.797
  619   HG22  ILE  80          HG22      ILE  80   8.157  -7.953  -1.917
  620   HG23  ILE  80          HG23      ILE  80   7.964  -8.180  -0.179
  621   HD11  ILE  80          HD11      ILE  80   3.637  -7.915  -2.463
  622   HD12  ILE  80          HD12      ILE  80   4.618  -6.526  -2.926
  623   HD13  ILE  80          HD13      ILE  80   3.802  -6.546  -1.364
  624    H    ILE  81           HN       ILE  81   3.967  -6.634   1.362
  625    HA   ILE  81           HA       ILE  81   4.998  -8.898   2.943
  626    HB   ILE  81           HB       ILE  81   3.429  -8.467   4.681
  627   HG12  ILE  81          HG12      ILE  81   1.651  -7.596   3.004
  628   HG13  ILE  81          HG11      ILE  81   1.659  -6.950   4.637
  629   HG21  ILE  81          HG21      ILE  81   4.811  -5.928   3.837
  630   HG22  ILE  81          HG22      ILE  81   5.454  -7.205   4.872
  631   HG23  ILE  81          HG23      ILE  81   4.112  -6.206   5.434
  632   HD11  ILE  81          HD11      ILE  81   1.309  -5.142   3.160
  633   HD12  ILE  81          HD12      ILE  81   2.655  -5.633   2.130
  634   HD13  ILE  81          HD13      ILE  81   2.964  -5.003   3.749
  635    H    GLY  82           HN       GLY  82   2.935  -7.976   0.464
  636    HA2  GLY  82           HA2      GLY  82   2.100 -10.484  -0.210
  637    HA3  GLY  82           HA1      GLY  82   0.876  -9.908   0.908
  638    H    GLU  83           HN       GLU  83  -0.251 -10.412  -1.265
  639    HA   GLU  83           HA       GLU  83  -0.495  -7.879  -2.732
  640    HB2  GLU  83           HB2      GLU  83  -0.527 -10.678  -3.871
  641    HB3  GLU  83           HB1      GLU  83  -1.044  -9.254  -4.758
  642    HG2  GLU  83           HG2      GLU  83   1.232  -8.317  -4.486
  643    HG3  GLU  83           HG1      GLU  83   1.719  -9.830  -3.725
  644    H    LEU  84           HN       LEU  84  -2.625  -8.260  -4.218
  645    HA   LEU  84           HA       LEU  84  -4.765  -8.775  -2.293
  646    HB2  LEU  84           HB2      LEU  84  -4.795  -7.450  -5.011
  647    HB3  LEU  84           HB1      LEU  84  -6.217  -7.694  -4.021
  648    HG   LEU  84           HG       LEU  84  -5.696  -5.474  -3.624
  649   HD11  LEU  84          HD11      LEU  84  -4.874  -5.303  -1.360
  650   HD12  LEU  84          HD12      LEU  84  -4.188  -6.922  -1.462
  651   HD13  LEU  84          HD13      LEU  84  -5.937  -6.704  -1.521
  652   HD21  LEU  84          HD21      LEU  84  -3.587  -5.411  -4.821
  653   HD22  LEU  84          HD22      LEU  84  -2.786  -6.242  -3.485
  654   HD23  LEU  84          HD23      LEU  84  -3.433  -4.616  -3.253
  655    H    HIS  85           HN       HIS  85  -6.605 -10.074  -2.908
  656    HA   HIS  85           HA       HIS  85  -5.896 -12.498  -4.220
  657    HB2  HIS  85           HB2      HIS  85  -8.718 -11.543  -3.678
  658    HB3  HIS  85           HB1      HIS  85  -8.175 -13.201  -3.861
  659    HD1  HIS  85           HD1      HIS  85  -8.957 -10.705  -1.393
  660    HD2  HIS  85           HD2      HIS  85  -6.479 -14.046  -1.587
  661    HE1  HIS  85           HE1      HIS  85  -8.431 -11.312   1.000
  662    HE2  HIS  85           HE2      HIS  85  -7.021 -13.394   0.862
  663    HA   PRO  86           HA       PRO  86  -6.796 -11.584  -8.471
  664    HB2  PRO  86           HB2      PRO  86  -8.372 -13.770  -9.159
  665    HB3  PRO  86           HB1      PRO  86  -6.606 -13.747  -9.182
  666    HG2  PRO  86           HG2      PRO  86  -8.444 -14.844  -7.123
  667    HG3  PRO  86           HG1      PRO  86  -6.870 -15.451  -7.670
  668    HD2  PRO  86           HD2      PRO  86  -7.145 -14.156  -5.334
  669    HD3  PRO  86           HD1      PRO  86  -5.685 -13.989  -6.331
  670    H    ASP  87           HN       ASP  87  -9.348 -12.584  -6.323
  671    HA   ASP  87           HA       ASP  87 -11.576 -11.684  -7.795
  672    HB2  ASP  87           HB2      ASP  87 -11.410 -11.766  -4.780
  673    HB3  ASP  87           HB1      ASP  87 -12.829 -12.003  -5.795
  674    H    ASP  88           HN       ASP  88  -9.365 -10.151  -5.578
  675    HA   ASP  88           HA       ASP  88 -10.850  -7.635  -5.611
  676    HB2  ASP  88           HB2      ASP  88  -8.285  -8.390  -4.181
  677    HB3  ASP  88           HB1      ASP  88  -9.144  -6.870  -3.992
  678    H    ARG  89           HN       ARG  89  -9.029  -9.052  -7.770
  679    HA   ARG  89           HA       ARG  89  -7.443  -6.657  -8.394
  680    HB2  ARG  89           HB2      ARG  89  -6.259  -8.877  -7.860
  681    HB3  ARG  89           HB1      ARG  89  -6.841  -9.411  -9.428
  682    HG2  ARG  89           HG2      ARG  89  -5.650  -7.569 -10.504
  683    HG3  ARG  89           HG1      ARG  89  -5.065  -7.034  -8.927
  684    HD2  ARG  89           HD2      ARG  89  -4.477  -9.675 -10.259
  685    HD3  ARG  89           HD1      ARG  89  -3.361  -8.325 -10.074
  686    HE   ARG  89           HE       ARG  89  -4.485  -9.708  -7.728
  687   HH11  ARG  89          HH11      ARG  89  -1.701  -8.621  -9.622
  688   HH12  ARG  89          HH12      ARG  89  -0.525  -9.045  -8.316
  689   HH21  ARG  89          HH21      ARG  89  -3.001 -10.275  -6.085
  690   HH22  ARG  89          HH22      ARG  89  -1.232  -9.972  -6.382
  691    H    SER  90           HN       SER  90  -8.504  -9.484 -10.296
  692    HA   SER  90           HA       SER  90  -9.266  -7.604 -12.416
  693    HB2  SER  90           HB2      SER  90  -8.846 -10.579 -12.699
  694    HB3  SER  90           HB1      SER  90  -8.893  -9.365 -13.980
  695    HG   SER  90           HG       SER  90  -6.994  -8.438 -12.825
  696    H    LYS  91           HN       LYS  91 -10.733  -9.490 -10.060
  697    HA   LYS  91           HA       LYS  91 -13.056 -10.160 -11.665
  698    HB2  LYS  91           HB2      LYS  91 -12.159 -11.621  -9.799
  699    HB3  LYS  91           HB1      LYS  91 -12.767 -10.415  -8.676
  700    HG2  LYS  91           HG2      LYS  91 -15.036 -10.768  -9.535
  701    HG3  LYS  91           HG1      LYS  91 -14.413 -12.005 -10.625
  702    HD2  LYS  91           HD2      LYS  91 -14.004 -12.163  -7.652
  703    HD3  LYS  91           HD1      LYS  91 -15.471 -12.775  -8.418
  704    HE2  LYS  91           HE2      LYS  91 -12.745 -13.615  -9.349
  705    HE3  LYS  91           HE1      LYS  91 -13.542 -14.418  -7.998
  706    HZ1  LYS  91           HZ1      LYS  91 -15.295 -15.115  -9.386
  707    HZ2  LYS  91           HZ2      LYS  91 -13.874 -15.459 -10.234
  708    HZ3  LYS  91           HZ3      LYS  91 -14.805 -14.116 -10.660
  709    H    LEU  92           HN       LEU  92 -12.776  -8.484  -8.531
  710    HA   LEU  92           HA       LEU  92 -13.739  -6.619  -7.685
  711    HB2  LEU  92           HB2      LEU  92 -13.516  -6.025 -10.540
  712    HB3  LEU  92           HB1      LEU  92 -14.788  -5.127  -9.738
  713    HG   LEU  92           HG       LEU  92 -12.627  -3.908  -9.850
  714   HD11  LEU  92          HD11      LEU  92 -12.600  -3.196  -7.514
  715   HD12  LEU  92          HD12      LEU  92 -13.565  -4.605  -7.073
  716   HD13  LEU  92          HD13      LEU  92 -14.246  -3.364  -8.124
  717   HD21  LEU  92          HD21      LEU  92 -11.669  -6.071  -7.983
  718   HD22  LEU  92          HD22      LEU  92 -10.793  -4.595  -8.388
  719   HD23  LEU  92          HD23      LEU  92 -11.112  -5.802  -9.635
  720    H    SER  93           HN       SER  93 -15.373  -9.070  -8.557
  721    HA   SER  93           HA       SER  93 -18.018  -7.944  -8.886
  722    HB2  SER  93           HB2      SER  93 -17.349 -10.837  -8.320
  723    HB3  SER  93           HB1      SER  93 -18.772 -10.187  -9.140
  724    HG   SER  93           HG       SER  93 -17.306  -9.447 -10.799
  725    H    LYS  94           HN       LYS  94 -17.362  -6.762  -6.721
  726    HA   LYS  94           HA       LYS  94 -18.664  -8.253  -4.555
  727    HB2  LYS  94           HB2      LYS  94 -16.033  -6.791  -4.406
  728    HB3  LYS  94           HB1      LYS  94 -17.005  -7.089  -2.974
  729    HG2  LYS  94           HG2      LYS  94 -16.725  -9.407  -3.126
  730    HG3  LYS  94           HG1      LYS  94 -16.164  -9.315  -4.797
  731    HD2  LYS  94           HD2      LYS  94 -14.287  -9.755  -3.340
  732    HD3  LYS  94           HD1      LYS  94 -14.141  -8.131  -4.009
  733    HE2  LYS  94           HE2      LYS  94 -14.768  -7.126  -1.978
  734    HE3  LYS  94           HE1      LYS  94 -15.383  -8.643  -1.326
  735    HZ1  LYS  94           HZ1      LYS  94 -13.164  -7.879  -0.456
  736    HZ2  LYS  94           HZ2      LYS  94 -12.517  -8.243  -1.986
  737    HZ3  LYS  94           HZ3      LYS  94 -13.216  -9.466  -1.048
  738    HA   PRO  95           HA       PRO  95 -20.966  -4.433  -4.471
  739    HB2  PRO  95           HB2      PRO  95 -22.501  -4.991  -2.309
  740    HB3  PRO  95           HB1      PRO  95 -22.785  -5.719  -3.897
  741    HG2  PRO  95           HG2      PRO  95 -21.422  -6.886  -1.517
  742    HG3  PRO  95           HG1      PRO  95 -22.552  -7.644  -2.656
  743    HD2  PRO  95           HD2      PRO  95 -19.862  -8.001  -2.789
  744    HD3  PRO  95           HD1      PRO  95 -20.924  -8.061  -4.208
  745    H    MET  96           HN       MET  96 -21.004  -2.509  -3.272
  746    HA   MET  96           HA       MET  96 -18.963  -2.385  -1.174
  747    HB2  MET  96           HB2      MET  96 -18.731  -0.913  -3.152
  748    HB3  MET  96           HB1      MET  96 -20.247  -0.134  -2.727
  749    HG2  MET  96           HG2      MET  96 -19.328   0.811  -0.776
  750    HG3  MET  96           HG1      MET  96 -17.898  -0.215  -0.863
  751    HE1  MET  96           HE1      MET  96 -19.867   2.715  -2.545
  752    HE2  MET  96           HE2      MET  96 -19.565   1.674  -3.937
  753    HE3  MET  96           HE3      MET  96 -18.757   3.236  -3.813
  754    H    GLU  97           HN       GLU  97 -21.915  -0.481  -1.760
  755    HA   GLU  97           HA       GLU  97 -23.597   0.216  -0.417
  756    HB2  GLU  97           HB2      GLU  97 -24.024  -2.148   0.000
  757    HB3  GLU  97           HB1      GLU  97 -22.817  -2.163   1.276
  758    HG2  GLU  97           HG2      GLU  97 -24.308  -0.286   2.307
  759    HG3  GLU  97           HG1      GLU  97 -25.549  -0.983   1.266
  760    H    THR  98           HN       THR  98 -22.926   2.175   0.253
  761    HA   THR  98           HA       THR  98 -21.990   2.401   2.974
  762    HB   THR  98           HB       THR  98 -19.887   2.131   1.652
  763    HG1  THR  98           HG1      THR  98 -18.879   3.640   2.856
  764   HG21  THR  98          HG21      THR  98 -20.702   4.773   0.428
  765   HG22  THR  98          HG22      THR  98 -20.588   3.230  -0.418
  766   HG23  THR  98          HG23      THR  98 -19.131   3.988   0.227
  767    H    LEU  99           HN       LEU  99 -21.552   4.893   3.385
  768    HA   LEU  99           HA       LEU  99 -22.557   6.907   3.710
  769    HB2  LEU  99           HB2      LEU  99 -22.934   6.645   0.729
  770    HB3  LEU  99           HB1      LEU  99 -23.199   8.125   1.627
  771    HG   LEU  99           HG       LEU  99 -20.546   6.699   1.553
  772   HD11  LEU  99          HD11      LEU  99 -21.178   7.379  -0.711
  773   HD12  LEU  99          HD12      LEU  99 -19.842   8.346  -0.090
  774   HD13  LEU  99          HD13      LEU  99 -21.470   9.021  -0.135
  775   HD21  LEU  99          HD21      LEU  99 -20.848   8.177   3.455
  776   HD22  LEU  99          HD22      LEU  99 -21.346   9.487   2.384
  777   HD23  LEU  99          HD23      LEU  99 -19.694   8.872   2.318
  778    H    ILE 100           HN       ILE 100 -24.226   5.011   4.547
  779    HA   ILE 100           HA       ILE 100 -26.833   5.461   3.312
  780    HB   ILE 100           HB       ILE 100 -27.622   3.784   5.036
  781   HG12  ILE 100          HG12      ILE 100 -24.677   3.211   5.387
  782   HG13  ILE 100          HG11      ILE 100 -25.594   4.189   6.527
  783   HG21  ILE 100          HG21      ILE 100 -25.485   2.909   3.099
  784   HG22  ILE 100          HG22      ILE 100 -27.188   3.175   2.724
  785   HG23  ILE 100          HG23      ILE 100 -26.718   1.870   3.812
  786   HD11  ILE 100          HD11      ILE 100 -25.351   1.867   7.265
  787   HD12  ILE 100          HD12      ILE 100 -26.199   1.327   5.816
  788   HD13  ILE 100          HD13      ILE 100 -27.041   2.309   7.015
  789    H    THR 101           HN       THR 101 -24.978   6.542   5.984
  790    HA   THR 101           HA       THR 101 -27.362   7.831   7.125
  791    HB   THR 101           HB       THR 101 -25.074   7.672   8.929
  792    HG1  THR 101           HG1      THR 101 -26.113   5.218   9.028
  793   HG21  THR 101          HG21      THR 101 -26.803   6.859  10.475
  794   HG22  THR 101          HG22      THR 101 -27.943   6.743   9.132
  795   HG23  THR 101          HG23      THR 101 -27.325   8.320   9.629
  796    H    THR 102           HN       THR 102 -27.241   9.991   7.627
  797    HA   THR 102           HA       THR 102 -25.158  11.487   6.297
  798    HB   THR 102           HB       THR 102 -26.765  13.331   7.578
  799    HG1  THR 102           HG1      THR 102 -28.765  12.534   7.725
  800   HG21  THR 102          HG21      THR 102 -26.078  13.373   5.220
  801   HG22  THR 102          HG22      THR 102 -27.814  13.635   5.384
  802   HG23  THR 102          HG23      THR 102 -27.204  12.062   4.869
  803    H    VAL 103           HN       VAL 103 -23.465  12.424   7.246
  804    HA   VAL 103           HA       VAL 103 -23.300  12.324  10.173
  805    HB   VAL 103           HB       VAL 103 -20.840  12.741   9.794
  806   HG11  VAL 103          HG11      VAL 103 -20.374  10.413   9.123
  807   HG12  VAL 103          HG12      VAL 103 -22.056  10.242   8.622
  808   HG13  VAL 103          HG13      VAL 103 -21.667  10.528  10.319
  809   HG21  VAL 103          HG21      VAL 103 -19.896  12.403   7.618
  810   HG22  VAL 103          HG22      VAL 103 -21.124  13.664   7.485
  811   HG23  VAL 103          HG23      VAL 103 -21.476  12.025   6.933
  812    H    ASP 104           HN       ASP 104 -24.176  14.445   7.882
  813    HA   ASP 104           HA       ASP 104 -23.108  16.755   9.361
  814    HB2  ASP 104           HB2      ASP 104 -23.247  18.065   7.300
  815    HB3  ASP 104           HB1      ASP 104 -22.222  16.657   7.051
  816    HHB  HEM 400           HB       HEM 400  11.605   5.514  -1.852
  817    HHC  HEM 400           HC       HEM 400   5.367   5.292  -2.876
  818    HHD  HEM 400           HD       HEM 400   5.456  11.312  -4.818
  819    HMA  HEM 400          HMA1      HEM 400  13.959   6.188  -2.743
  820   HMAA  HEM 400          HMA2      HEM 400  13.678   6.735  -1.092
  821   HMAB  HEM 400          HMA3      HEM 400  14.748   7.649  -2.153
  822    HAA  HEM 400          HAA1      HEM 400  14.685   9.687  -2.552
  823   HAAA  HEM 400          HAA2      HEM 400  13.679  11.009  -3.122
  824    HBA  HEM 400          HBA1      HEM 400  14.589  10.769  -5.155
  825   HBAA  HEM 400          HBA2      HEM 400  13.863   9.167  -5.266
  826    HMB  HEM 400          HMB1      HEM 400  10.180   2.652  -2.119
  827   HMBA  HEM 400          HMB2      HEM 400   9.459   2.886  -0.521
  828   HMBB  HEM 400          HMB3      HEM 400  10.910   3.775  -0.990
  829    HAB  HEM 400           HAB      HEM 400   7.235   2.320  -2.085
  830    HBB  HEM 400          HBB1      HEM 400   5.163   4.430  -1.075
  831   HBBA  HEM 400          HBB2      HEM 400   4.980   2.523  -1.212
  832    HMC  HEM 400          HMC1      HEM 400   2.349   7.197  -4.161
  833   HMCA  HEM 400          HMC2      HEM 400   3.011   6.442  -2.707
  834   HMCB  HEM 400          HMC3      HEM 400   3.411   5.807  -4.306
  835    HAC  HEM 400           HAC      HEM 400   3.351  10.354  -5.417
  836    HBC  HEM 400          HBC1      HEM 400   1.826   8.946  -3.081
  837   HBCA  HEM 400          HBC2      HEM 400   1.166  10.239  -4.337
  838    HMD  HEM 400          HMD1      HEM 400   6.108  13.104  -5.535
  839   HMDA  HEM 400          HMD2      HEM 400   7.538  13.914  -6.177
  840   HMDB  HEM 400          HMD3      HEM 400   7.002  14.221  -4.524
  841    HAD  HEM 400          HAD1      HEM 400   9.631  14.455  -4.814
  842   HADA  HEM 400          HAD2      HEM 400  10.979  13.543  -4.153
  843    HBD  HEM 400          HBD1      HEM 400  10.235  14.036  -6.992
  844   HBDA  HEM 400          HBD2      HEM 400  10.928  12.460  -6.607
  845    HHA  HEM 400           HA       HEM 400  11.742  11.462  -4.032
  Start of MODEL   14
    1    H1   MET   1           HT1      MET   1  20.822 -14.581  17.033
    2    H2   MET   1           HT2      MET   1  22.058 -14.278  18.142
    3    H3   MET   1           HT3      MET   1  21.271 -12.992  17.383
    4    HA   MET   1           HA       MET   1  20.135 -14.884  19.343
    5    HB2  MET   1           HB2      MET   1  21.607 -12.967  20.135
    6    HB3  MET   1           HB1      MET   1  20.355 -11.882  19.544
    7    HG2  MET   1           HG2      MET   1  18.760 -12.798  21.081
    8    HG3  MET   1           HG1      MET   1  19.901 -14.042  21.586
    9    HE1  MET   1           HE1      MET   1  18.504 -12.282  23.884
   10    HE2  MET   1           HE2      MET   1  19.960 -12.093  24.860
   11    HE3  MET   1           HE3      MET   1  19.653 -13.615  24.016
   12    H    ALA   2           HN       ALA   2  19.268 -11.706  17.929
   13    HA   ALA   2           HA       ALA   2  16.582 -12.822  17.451
   14    HB1  ALA   2           HB1      ALA   2  16.681 -11.054  19.203
   15    HB2  ALA   2           HB2      ALA   2  15.643 -10.649  17.836
   16    HB3  ALA   2           HB3      ALA   2  17.245  -9.928  17.968
   17    H    ALA   3           HN       ALA   3  17.900 -13.489  15.437
   18    HA   ALA   3           HA       ALA   3  17.674 -11.340  13.431
   19    HB1  ALA   3           HB1      ALA   3  19.988 -12.144  13.787
   20    HB2  ALA   3           HB2      ALA   3  19.405 -12.433  12.148
   21    HB3  ALA   3           HB3      ALA   3  19.473 -13.761  13.308
   22    H    GLN   4           HN       GLN   4  16.382 -11.696  11.690
   23    HA   GLN   4           HA       GLN   4  15.531 -14.386  11.024
   24    HB2  GLN   4           HB2      GLN   4  13.099 -13.751  11.144
   25    HB3  GLN   4           HB1      GLN   4  13.895 -13.923  12.702
   26    HG2  GLN   4           HG2      GLN   4  14.080 -11.521  12.909
   27    HG3  GLN   4           HG1      GLN   4  13.373 -11.307  11.308
   28   HE21  GLN   4          HE21      GLN   4  11.665 -10.086  12.117
   29   HE22  GLN   4          HE22      GLN   4  10.373 -10.792  13.025
   30    H    SER   5           HN       SER   5  14.687 -14.575   8.962
   31    HA   SER   5           HA       SER   5  14.269 -12.199   7.345
   32    HB2  SER   5           HB2      SER   5  16.357 -14.264   6.585
   33    HB3  SER   5           HB1      SER   5  15.882 -12.864   5.628
   34    HG   SER   5           HG       SER   5  16.548 -12.016   8.062
   35    H    ASP   6           HN       ASP   6  12.278 -12.679   6.633
   36    HA   ASP   6           HA       ASP   6  11.874 -15.277   5.324
   37    HB2  ASP   6           HB2      ASP   6  10.759 -14.660   7.764
   38    HB3  ASP   6           HB1      ASP   6   9.479 -14.211   6.641
   39    H    LYS   7           HN       LYS   7  10.804 -15.210   3.450
   40    HA   LYS   7           HA       LYS   7   9.648 -12.634   2.608
   41    HB2  LYS   7           HB2      LYS   7  11.103 -14.727   0.969
   42    HB3  LYS   7           HB1      LYS   7  10.214 -13.384   0.267
   43    HG2  LYS   7           HG2      LYS   7  12.487 -13.010   2.194
   44    HG3  LYS   7           HG1      LYS   7  12.701 -13.088   0.444
   45    HD2  LYS   7           HD2      LYS   7  11.343 -11.146   0.125
   46    HD3  LYS   7           HD1      LYS   7  10.870 -11.133   1.825
   47    HE2  LYS   7           HE2      LYS   7  13.295 -10.808   2.393
   48    HE3  LYS   7           HE1      LYS   7  13.601 -10.585   0.673
   49    HZ1  LYS   7           HZ1      LYS   7  11.805  -8.921   2.353
   50    HZ2  LYS   7           HZ2      LYS   7  12.060  -8.712   0.696
   51    HZ3  LYS   7           HZ3      LYS   7  13.334  -8.471   1.783
   52    H    ASP   8           HN       ASP   8   7.505 -12.870   2.796
   53    HA   ASP   8           HA       ASP   8   6.286 -15.238   1.565
   54    HB2  ASP   8           HB2      ASP   8   6.341 -15.011   4.238
   55    HB3  ASP   8           HB1      ASP   8   4.914 -14.032   3.917
   56    H    VAL   9           HN       VAL   9   3.734 -14.714   1.544
   57    HA   VAL   9           HA       VAL   9   3.194 -11.948   0.903
   58    HB   VAL   9           HB       VAL   9   4.109 -12.550  -1.214
   59   HG11  VAL   9          HG11      VAL   9   2.307 -14.974  -1.199
   60   HG12  VAL   9          HG12      VAL   9   4.061 -14.976  -1.003
   61   HG13  VAL   9          HG13      VAL   9   3.345 -14.468  -2.533
   62   HG21  VAL   9          HG21      VAL   9   2.215 -11.194  -1.530
   63   HG22  VAL   9          HG22      VAL   9   1.104 -12.526  -1.212
   64   HG23  VAL   9          HG23      VAL   9   2.046 -12.499  -2.703
   65    H    LYS  10           HN       LYS  10   1.433 -11.700   2.100
   66    HA   LYS  10           HA       LYS  10  -0.578 -13.824   2.182
   67    HB2  LYS  10           HB2      LYS  10   0.248 -12.746   4.299
   68    HB3  LYS  10           HB1      LYS  10  -0.508 -11.253   3.769
   69    HG2  LYS  10           HG2      LYS  10  -2.689 -12.286   3.828
   70    HG3  LYS  10           HG1      LYS  10  -1.965 -13.844   4.234
   71    HD2  LYS  10           HD2      LYS  10  -1.589 -11.396   5.944
   72    HD3  LYS  10           HD1      LYS  10  -2.956 -12.490   6.156
   73    HE2  LYS  10           HE2      LYS  10  -1.458 -14.340   6.598
   74    HE3  LYS  10           HE1      LYS  10  -0.058 -13.320   6.270
   75    HZ1  LYS  10           HZ1      LYS  10  -1.969 -12.558   8.372
   76    HZ2  LYS  10           HZ2      LYS  10  -0.326 -12.176   8.232
   77    HZ3  LYS  10           HZ3      LYS  10  -0.797 -13.735   8.689
   78    H    TYR  11           HN       TYR  11  -2.466 -13.677   1.129
   79    HA   TYR  11           HA       TYR  11  -2.902 -11.318  -0.504
   80    HB2  TYR  11           HB2      TYR  11  -4.114 -14.078  -0.483
   81    HB3  TYR  11           HB1      TYR  11  -4.796 -12.771  -1.451
   82    HD1  TYR  11           HD2      TYR  11  -1.649 -14.664  -0.855
   83    HD2  TYR  11           HD1      TYR  11  -3.898 -12.256  -3.546
   84    HE1  TYR  11           HE2      TYR  11   0.017 -15.081  -2.610
   85    HE2  TYR  11           HE1      TYR  11  -2.234 -12.666  -5.306
   86    HH   TYR  11           HH       TYR  11   0.403 -13.275  -5.216
   87    H    TYR  12           HN       TYR  12  -3.760  -9.721   0.570
   88    HA   TYR  12           HA       TYR  12  -5.772 -10.110   2.613
   89    HB2  TYR  12           HB2      TYR  12  -4.348  -7.700   1.499
   90    HB3  TYR  12           HB1      TYR  12  -5.683  -7.550   2.634
   91    HD1  TYR  12           HD1      TYR  12  -2.232  -8.825   2.230
   92    HD2  TYR  12           HD2      TYR  12  -5.376  -7.930   4.954
   93    HE1  TYR  12           HE1      TYR  12  -0.665  -9.073   4.110
   94    HE2  TYR  12           HE2      TYR  12  -3.819  -8.179   6.841
   95    HH   TYR  12           HH       TYR  12  -1.657  -9.359   7.313
   96    H    THR  13           HN       THR  13  -7.672  -8.585   2.576
   97    HA   THR  13           HA       THR  13  -9.036  -8.855   0.004
   98    HB   THR  13           HB       THR  13 -10.438  -7.809   2.417
   99    HG1  THR  13           HG1      THR  13  -9.083  -9.551   3.193
  100   HG21  THR  13          HG21      THR  13 -12.234  -9.269   1.587
  101   HG22  THR  13          HG22      THR  13 -11.161  -9.863   0.318
  102   HG23  THR  13          HG23      THR  13 -11.664  -8.172   0.329
  103    H    LEU  14           HN       LEU  14 -10.121  -7.091  -0.974
  104    HA   LEU  14           HA       LEU  14  -8.724  -4.704  -1.130
  105    HB2  LEU  14           HB2      LEU  14 -10.461  -5.692  -2.726
  106    HB3  LEU  14           HB1      LEU  14 -11.667  -4.925  -1.709
  107    HG   LEU  14           HG       LEU  14 -10.054  -2.814  -2.187
  108   HD11  LEU  14          HD11      LEU  14  -9.332  -2.805  -4.474
  109   HD12  LEU  14          HD12      LEU  14  -9.984  -4.424  -4.731
  110   HD13  LEU  14          HD13      LEU  14  -8.606  -4.188  -3.655
  111   HD21  LEU  14          HD21      LEU  14 -11.698  -2.116  -3.835
  112   HD22  LEU  14          HD22      LEU  14 -12.482  -2.906  -2.466
  113   HD23  LEU  14          HD23      LEU  14 -12.274  -3.778  -3.985
  114    H    GLU  15           HN       GLU  15 -11.865  -5.211   0.503
  115    HA   GLU  15           HA       GLU  15 -11.777  -2.594   1.703
  116    HB2  GLU  15           HB2      GLU  15 -13.843  -3.405   2.907
  117    HB3  GLU  15           HB1      GLU  15 -13.934  -3.422   1.152
  118    HG2  GLU  15           HG2      GLU  15 -13.052  -5.904   2.507
  119    HG3  GLU  15           HG1      GLU  15 -14.752  -5.456   2.634
  120    H    GLU  16           HN       GLU  16  -9.938  -5.104   2.366
  121    HA   GLU  16           HA       GLU  16 -10.198  -5.022   5.279
  122    HB2  GLU  16           HB2      GLU  16 -10.085  -7.220   4.338
  123    HB3  GLU  16           HB1      GLU  16  -8.658  -6.809   3.402
  124    HG2  GLU  16           HG2      GLU  16  -7.324  -6.696   5.398
  125    HG3  GLU  16           HG1      GLU  16  -8.755  -6.934   6.406
  126    H    ILE  17           HN       ILE  17  -7.869  -4.360   2.690
  127    HA   ILE  17           HA       ILE  17  -5.784  -3.582   4.478
  128    HB   ILE  17           HB       ILE  17  -4.767  -2.524   2.386
  129   HG12  ILE  17          HG12      ILE  17  -6.015  -3.954   0.387
  130   HG13  ILE  17          HG11      ILE  17  -7.374  -3.379   1.346
  131   HG21  ILE  17          HG21      ILE  17  -4.149  -4.730   1.464
  132   HG22  ILE  17          HG22      ILE  17  -5.421  -5.464   2.443
  133   HG23  ILE  17          HG23      ILE  17  -4.056  -4.667   3.225
  134   HD11  ILE  17          HD11      ILE  17  -6.817  -1.860  -0.484
  135   HD12  ILE  17          HD12      ILE  17  -5.202  -1.646   0.192
  136   HD13  ILE  17          HD13      ILE  17  -6.615  -1.096   1.092
  137    H    LYS  18           HN       LYS  18  -8.240  -1.810   2.645
  138    HA   LYS  18           HA       LYS  18  -7.228   0.759   3.333
  139    HB2  LYS  18           HB2      LYS  18  -9.381   1.618   2.482
  140    HB3  LYS  18           HB1      LYS  18  -8.589   0.520   1.362
  141    HG2  LYS  18           HG2      LYS  18 -10.159  -1.143   1.670
  142    HG3  LYS  18           HG1      LYS  18 -10.666  -0.516   3.240
  143    HD2  LYS  18           HD2      LYS  18 -12.366  -0.128   1.503
  144    HD3  LYS  18           HD1      LYS  18 -11.739   1.383   2.158
  145    HE2  LYS  18           HE2      LYS  18 -10.048   0.995   0.079
  146    HE3  LYS  18           HE1      LYS  18 -11.516   0.250  -0.551
  147    HZ1  LYS  18           HZ1      LYS  18 -11.324   2.624  -1.096
  148    HZ2  LYS  18           HZ2      LYS  18 -11.361   3.003   0.552
  149    HZ3  LYS  18           HZ3      LYS  18 -12.706   2.290  -0.179
  150    H    LYS  19           HN       LYS  19  -8.817  -1.540   5.157
  151    HA   LYS  19           HA       LYS  19 -10.192   0.365   6.874
  152    HB2  LYS  19           HB2      LYS  19 -11.161  -1.891   6.331
  153    HB3  LYS  19           HB1      LYS  19  -9.846  -2.621   7.240
  154    HG2  LYS  19           HG2      LYS  19 -11.790  -2.559   8.625
  155    HG3  LYS  19           HG1      LYS  19 -10.623  -1.399   9.255
  156    HD2  LYS  19           HD2      LYS  19 -12.712  -0.309   9.336
  157    HD3  LYS  19           HD1      LYS  19 -11.879   0.369   7.938
  158    HE2  LYS  19           HE2      LYS  19 -14.162  -0.075   7.334
  159    HE3  LYS  19           HE1      LYS  19 -13.122  -1.220   6.491
  160    HZ1  LYS  19           HZ1      LYS  19 -14.979  -2.399   7.334
  161    HZ2  LYS  19           HZ2      LYS  19 -14.799  -1.742   8.881
  162    HZ3  LYS  19           HZ3      LYS  19 -13.654  -2.834   8.290
  163    H    HIS  20           HN       HIS  20  -7.106  -0.586   6.435
  164    HA   HIS  20           HA       HIS  20  -6.420  -0.377   9.292
  165    HB2  HIS  20           HB2      HIS  20  -5.158  -1.869   7.023
  166    HB3  HIS  20           HB1      HIS  20  -4.164  -1.354   8.380
  167    HD1  HIS  20           HD1      HIS  20  -6.733  -3.836   7.377
  168    HD2  HIS  20           HD2      HIS  20  -4.739  -2.659  10.831
  169    HE1  HIS  20           HE1      HIS  20  -7.130  -5.671   9.045
  170    HE2  HIS  20           HE2      HIS  20  -5.716  -5.044  11.031
  171    H    ASN  21           HN       ASN  21  -6.785   1.681   6.967
  172    HA   ASN  21           HA       ASN  21  -4.181   2.782   6.573
  173    HB2  ASN  21           HB2      ASN  21  -5.310   4.641   5.467
  174    HB3  ASN  21           HB1      ASN  21  -5.960   3.104   4.920
  175   HD21  ASN  21          HD21      ASN  21  -7.110   5.738   4.800
  176   HD22  ASN  21          HD22      ASN  21  -8.612   5.671   5.652
  177    H    HIS  22           HN       HIS  22  -3.729   2.684   8.949
  178    HA   HIS  22           HA       HIS  22  -4.505   5.223  10.232
  179    HB2  HIS  22           HB2      HIS  22  -3.908   2.521  11.429
  180    HB3  HIS  22           HB1      HIS  22  -3.836   3.993  12.388
  181    HD1  HIS  22           HD1      HIS  22  -5.930   4.370  13.653
  182    HD2  HIS  22           HD2      HIS  22  -6.633   2.434  10.040
  183    HE1  HIS  22           HE1      HIS  22  -8.413   3.978  13.564
  184    HE2  HIS  22           HE2      HIS  22  -8.823   2.840  11.355
  185    H    SER  23           HN       SER  23  -2.744   5.921  11.870
  186    HA   SER  23           HA       SER  23  -0.425   6.516  10.412
  187    HB2  SER  23           HB2      SER  23  -0.691   6.704  13.408
  188    HB3  SER  23           HB1      SER  23   0.279   7.716  12.336
  189    HG   SER  23           HG       SER  23  -1.459   8.817  11.759
  190    H    LYS  24           HN       LYS  24  -1.121   3.843  12.537
  191    HA   LYS  24           HA       LYS  24   1.726   3.095  12.494
  192    HB2  LYS  24           HB2      LYS  24   1.256   1.629  14.372
  193    HB3  LYS  24           HB1      LYS  24   0.720   3.265  14.727
  194    HG2  LYS  24           HG2      LYS  24  -1.588   2.590  14.177
  195    HG3  LYS  24           HG1      LYS  24  -1.015   0.937  13.938
  196    HD2  LYS  24           HD2      LYS  24  -0.137   1.008  16.287
  197    HD3  LYS  24           HD1      LYS  24  -0.969   2.550  16.484
  198    HE2  LYS  24           HE2      LYS  24  -3.097   1.469  15.974
  199    HE3  LYS  24           HE1      LYS  24  -2.268  -0.074  15.767
  200    HZ1  LYS  24           HZ1      LYS  24  -1.501   0.194  18.115
  201    HZ2  LYS  24           HZ2      LYS  24  -3.163  -0.048  17.933
  202    HZ3  LYS  24           HZ3      LYS  24  -2.569   1.501  18.255
  203    H    SER  25           HN       SER  25  -0.542   2.668  10.432
  204    HA   SER  25           HA       SER  25   0.330   0.028   9.669
  205    HB2  SER  25           HB2      SER  25  -2.602   0.528  10.254
  206    HB3  SER  25           HB1      SER  25  -1.951  -0.920   9.482
  207    HG   SER  25           HG       SER  25  -0.625  -0.454  11.764
  208    H    THR  26           HN       THR  26   0.603   2.645   8.578
  209    HA   THR  26           HA       THR  26  -1.277   3.116   6.503
  210    HB   THR  26           HB       THR  26   1.589   4.065   6.587
  211    HG1  THR  26           HG1      THR  26  -0.435   4.577   8.292
  212   HG21  THR  26          HG21      THR  26   0.677   5.983   5.326
  213   HG22  THR  26          HG22      THR  26  -0.897   5.189   5.287
  214   HG23  THR  26          HG23      THR  26   0.479   4.459   4.458
  215    H    TRP  27           HN       TRP  27  -1.603   1.387   5.196
  216    HA   TRP  27           HA       TRP  27   0.690   0.185   3.839
  217    HB2  TRP  27           HB2      TRP  27  -2.211  -0.652   4.031
  218    HB3  TRP  27           HB1      TRP  27  -1.021  -1.482   3.032
  219    HD1  TRP  27           HD1      TRP  27   1.210  -0.972   5.572
  220    HE1  TRP  27           HE1      TRP  27   1.154  -2.719   7.453
  221    HE3  TRP  27           HE3      TRP  27  -3.424  -2.946   4.681
  222    HZ2  TRP  27           HZ2      TRP  27  -0.632  -4.683   8.427
  223    HZ3  TRP  27           HZ3      TRP  27  -4.228  -4.760   6.135
  224    HH2  TRP  27           HH2      TRP  27  -2.858  -5.610   7.967
  225    H    LEU  28           HN       LEU  28   1.024   0.394   1.698
  226    HA   LEU  28           HA       LEU  28  -0.930   1.986   0.169
  227    HB2  LEU  28           HB2      LEU  28   1.702   2.698   0.888
  228    HB3  LEU  28           HB1      LEU  28   1.753   2.312  -0.819
  229    HG   LEU  28           HG       LEU  28  -0.344   4.180   0.218
  230   HD11  LEU  28          HD11      LEU  28   1.726   5.040   1.137
  231   HD12  LEU  28          HD12      LEU  28   1.187   6.054  -0.204
  232   HD13  LEU  28          HD13      LEU  28   2.506   4.905  -0.440
  233   HD21  LEU  28          HD21      LEU  28  -0.002   5.149  -2.053
  234   HD22  LEU  28          HD22      LEU  28  -0.590   3.487  -2.056
  235   HD23  LEU  28          HD23      LEU  28   1.107   3.823  -2.397
  236    H    ILE  29           HN       ILE  29  -1.356   1.288  -1.882
  237    HA   ILE  29           HA       ILE  29  -0.156  -1.281  -2.602
  238    HB   ILE  29           HB       ILE  29  -2.614   0.064  -3.739
  239   HG12  ILE  29          HG12      ILE  29  -2.373  -2.303  -1.871
  240   HG13  ILE  29          HG11      ILE  29  -2.893  -0.688  -1.401
  241   HG21  ILE  29          HG21      ILE  29  -3.040  -2.113  -4.803
  242   HG22  ILE  29          HG22      ILE  29  -1.475  -2.684  -4.222
  243   HG23  ILE  29          HG23      ILE  29  -1.554  -1.359  -5.385
  244   HD11  ILE  29          HD11      ILE  29  -4.317  -2.324  -3.474
  245   HD12  ILE  29          HD12      ILE  29  -4.887  -0.873  -2.649
  246   HD13  ILE  29          HD13      ILE  29  -4.709  -2.383  -1.757
  247    H    LEU  30           HN       LEU  30   1.458  -1.254  -3.972
  248    HA   LEU  30           HA       LEU  30   1.469   0.767  -6.114
  249    HB2  LEU  30           HB2      LEU  30   3.859  -0.300  -4.604
  250    HB3  LEU  30           HB1      LEU  30   3.936   0.777  -5.985
  251    HG   LEU  30           HG       LEU  30   2.620   1.476  -3.360
  252   HD11  LEU  30          HD11      LEU  30   4.569   2.870  -2.954
  253   HD12  LEU  30          HD12      LEU  30   5.313   2.281  -4.437
  254   HD13  LEU  30          HD13      LEU  30   5.028   1.175  -3.097
  255   HD21  LEU  30          HD21      LEU  30   3.352   3.174  -5.742
  256   HD22  LEU  30          HD22      LEU  30   2.633   3.745  -4.235
  257   HD23  LEU  30          HD23      LEU  30   1.723   2.673  -5.296
  258    H    HIS  31           HN       HIS  31   1.337  -0.135  -8.033
  259    HA   HIS  31           HA       HIS  31   1.498  -1.593  -9.758
  260    HB2  HIS  31           HB2      HIS  31   3.705  -2.785  -8.063
  261    HB3  HIS  31           HB1      HIS  31   3.289  -3.383  -9.665
  262    HD1  HIS  31           HD1      HIS  31   5.798  -2.710 -10.300
  263    HD2  HIS  31           HD2      HIS  31   3.259   0.459  -9.407
  264    HE1  HIS  31           HE1      HIS  31   6.929  -0.657 -11.207
  265    HE2  HIS  31           HE2      HIS  31   5.292   1.222 -10.819
  266    H    HIS  32           HN       HIS  32  -0.327  -1.882  -7.610
  267    HA   HIS  32           HA       HIS  32  -1.998  -3.228  -6.927
  268    HB2  HIS  32           HB2      HIS  32  -0.930  -5.047  -9.092
  269    HB3  HIS  32           HB1      HIS  32  -2.413  -5.351  -8.191
  270    HD1  HIS  32           HD1      HIS  32  -1.286  -3.890 -11.238
  271    HD2  HIS  32           HD2      HIS  32  -4.261  -2.972  -8.480
  272    HE1  HIS  32           HE1      HIS  32  -2.884  -2.376 -12.448
  273    HE2  HIS  32           HE2      HIS  32  -4.735  -1.913 -10.796
  274    H    LYS  33           HN       LYS  33   0.674  -3.356  -5.719
  275    HA   LYS  33           HA       LYS  33   0.435  -5.967  -4.364
  276    HB2  LYS  33           HB2      LYS  33   3.000  -4.391  -4.599
  277    HB3  LYS  33           HB1      LYS  33   2.801  -6.057  -4.077
  278    HG2  LYS  33           HG2      LYS  33   2.090  -5.218  -6.861
  279    HG3  LYS  33           HG1      LYS  33   3.754  -5.602  -6.414
  280    HD2  LYS  33           HD2      LYS  33   3.032  -7.813  -5.644
  281    HD3  LYS  33           HD1      LYS  33   1.372  -7.424  -6.103
  282    HE2  LYS  33           HE2      LYS  33   1.930  -7.339  -8.399
  283    HE3  LYS  33           HE1      LYS  33   3.657  -7.363  -8.054
  284    HZ1  LYS  33           HZ1      LYS  33   1.833  -9.603  -7.375
  285    HZ2  LYS  33           HZ2      LYS  33   3.528  -9.609  -7.367
  286    HZ3  LYS  33           HZ3      LYS  33   2.690  -9.511  -8.834
  287    H    VAL  34           HN       VAL  34   0.783  -5.925  -2.069
  288    HA   VAL  34           HA       VAL  34   0.156  -3.313  -0.913
  289    HB   VAL  34           HB       VAL  34   0.240  -5.942   0.561
  290   HG11  VAL  34          HG11      VAL  34  -1.149  -4.839   2.172
  291   HG12  VAL  34          HG12      VAL  34  -1.313  -3.424   1.135
  292   HG13  VAL  34          HG13      VAL  34   0.249  -3.810   1.857
  293   HG21  VAL  34          HG21      VAL  34  -1.292  -6.211  -1.293
  294   HG22  VAL  34          HG22      VAL  34  -2.086  -4.687  -0.896
  295   HG23  VAL  34          HG23      VAL  34  -2.202  -6.057   0.207
  296    H    TYR  35           HN       TYR  35   1.727  -2.092  -0.132
  297    HA   TYR  35           HA       TYR  35   4.124  -3.409   0.962
  298    HB2  TYR  35           HB2      TYR  35   3.867  -0.763  -0.478
  299    HB3  TYR  35           HB1      TYR  35   5.327  -1.285   0.361
  300    HD1  TYR  35           HD2      TYR  35   6.466  -3.413  -0.438
  301    HD2  TYR  35           HD1      TYR  35   3.443  -1.436  -2.684
  302    HE1  TYR  35           HE2      TYR  35   7.213  -4.588  -2.463
  303    HE2  TYR  35           HE1      TYR  35   4.184  -2.603  -4.718
  304    HH   TYR  35           HH       TYR  35   6.094  -3.734  -5.600
  305    H    ASP  36           HN       ASP  36   4.837  -2.815   2.941
  306    HA   ASP  36           HA       ASP  36   3.129  -0.959   4.457
  307    HB2  ASP  36           HB2      ASP  36   3.395  -3.344   5.260
  308    HB3  ASP  36           HB1      ASP  36   5.089  -2.983   5.564
  309    H    LEU  37           HN       LEU  37   3.923   1.004   4.689
  310    HA   LEU  37           HA       LEU  37   6.772   1.314   5.279
  311    HB2  LEU  37           HB2      LEU  37   6.994   3.211   3.805
  312    HB3  LEU  37           HB1      LEU  37   6.453   1.823   2.881
  313    HG   LEU  37           HG       LEU  37   4.390   3.725   3.883
  314   HD11  LEU  37          HD11      LEU  37   6.198   4.262   1.536
  315   HD12  LEU  37          HD12      LEU  37   6.069   5.226   3.008
  316   HD13  LEU  37          HD13      LEU  37   4.705   5.133   1.891
  317   HD21  LEU  37          HD21      LEU  37   4.692   2.261   1.267
  318   HD22  LEU  37          HD22      LEU  37   3.258   3.093   1.869
  319   HD23  LEU  37          HD23      LEU  37   3.828   1.628   2.671
  320    H    THR  38           HN       THR  38   4.335   1.285   6.871
  321    HA   THR  38           HA       THR  38   3.486   3.877   7.553
  322    HB   THR  38           HB       THR  38   2.439   1.588   8.144
  323    HG1  THR  38           HG1      THR  38   2.530   3.852   9.866
  324   HG21  THR  38          HG21      THR  38   4.149   1.986  10.598
  325   HG22  THR  38          HG22      THR  38   4.388   0.721   9.395
  326   HG23  THR  38          HG23      THR  38   2.917   0.749  10.364
  327    H    LYS  39           HN       LYS  39   6.403   2.234   8.302
  328    HA   LYS  39           HA       LYS  39   6.996   4.182  10.424
  329    HB2  LYS  39           HB2      LYS  39   8.141   1.465   9.814
  330    HB3  LYS  39           HB1      LYS  39   8.946   2.590  10.897
  331    HG2  LYS  39           HG2      LYS  39   6.111   1.682  11.306
  332    HG3  LYS  39           HG1      LYS  39   7.502   0.831  11.982
  333    HD2  LYS  39           HD2      LYS  39   7.156   2.192  13.744
  334    HD3  LYS  39           HD1      LYS  39   8.025   3.370  12.763
  335    HE2  LYS  39           HE2      LYS  39   5.824   4.146  11.872
  336    HE3  LYS  39           HE1      LYS  39   5.036   3.058  13.010
  337    HZ1  LYS  39           HZ1      LYS  39   5.934   4.271  14.827
  338    HZ2  LYS  39           HZ2      LYS  39   5.223   5.391  13.780
  339    HZ3  LYS  39           HZ3      LYS  39   6.901   5.215  13.812
  340    H    PHE  40           HN       PHE  40   7.173   4.138   7.311
  341    HA   PHE  40           HA       PHE  40   9.862   5.320   7.221
  342    HB2  PHE  40           HB2      PHE  40   8.530   3.569   5.155
  343    HB3  PHE  40           HB1      PHE  40   9.966   4.537   4.823
  344    HD1  PHE  40           HD1      PHE  40   8.641   1.623   6.601
  345    HD2  PHE  40           HD2      PHE  40  12.110   3.944   5.760
  346    HE1  PHE  40           HE1      PHE  40  10.060  -0.183   7.485
  347    HE2  PHE  40           HE2      PHE  40  13.534   2.138   6.638
  348    HZ   PHE  40           HZ       PHE  40  12.508   0.073   7.504
  349    H    LEU  41           HN       LEU  41   6.759   6.084   7.236
  350    HA   LEU  41           HA       LEU  41   6.316   7.667   4.963
  351    HB2  LEU  41           HB2      LEU  41   5.272   8.159   7.752
  352    HB3  LEU  41           HB1      LEU  41   4.574   8.753   6.260
  353    HG   LEU  41           HG       LEU  41   4.767   5.818   6.921
  354   HD11  LEU  41          HD11      LEU  41   3.418   6.956   8.615
  355   HD12  LEU  41          HD12      LEU  41   2.413   5.958   7.562
  356   HD13  LEU  41          HD13      LEU  41   2.453   7.707   7.343
  357   HD21  LEU  41          HD21      LEU  41   4.518   6.337   4.555
  358   HD22  LEU  41          HD22      LEU  41   3.136   7.371   4.913
  359   HD23  LEU  41          HD23      LEU  41   3.032   5.633   5.192
  360    H    GLU  42           HN       GLU  42   7.863   8.334   8.030
  361    HA   GLU  42           HA       GLU  42   8.337  11.108   7.364
  362    HB2  GLU  42           HB2      GLU  42   9.428  11.205   9.561
  363    HB3  GLU  42           HB1      GLU  42   7.824  10.496   9.673
  364    HG2  GLU  42           HG2      GLU  42   9.267   8.267   9.358
  365    HG3  GLU  42           HG1      GLU  42  10.467   9.288  10.146
  366    H    GLU  43           HN       GLU  43   9.709   8.261   6.470
  367    HA   GLU  43           HA       GLU  43  12.438   9.346   6.354
  368    HB2  GLU  43           HB2      GLU  43  11.616   6.504   5.759
  369    HB3  GLU  43           HB1      GLU  43  13.227   7.110   6.116
  370    HG2  GLU  43           HG2      GLU  43  11.171   7.473   8.208
  371    HG3  GLU  43           HG1      GLU  43  11.721   5.828   7.897
  372    H    HIS  44           HN       HIS  44   9.830   9.583   4.608
  373    HA   HIS  44           HA       HIS  44  11.080   8.898   2.049
  374    HB2  HIS  44           HB2      HIS  44   8.880   7.888   2.442
  375    HB3  HIS  44           HB1      HIS  44   8.189   9.482   2.711
  376    HD1  HIS  44           HD1      HIS  44   7.112  10.496   0.713
  377    HD2  HIS  44           HD2      HIS  44   9.949   7.634  -0.311
  378    HE1  HIS  44           HE1      HIS  44   7.026  10.280  -1.806
  379    HA   PRO  45           HA       PRO  45  11.779  13.279   1.553
  380    HB2  PRO  45           HB2      PRO  45  12.683  13.151  -1.018
  381    HB3  PRO  45           HB1      PRO  45  13.683  12.752   0.387
  382    HG2  PRO  45           HG2      PRO  45  12.267  10.927  -1.490
  383    HG3  PRO  45           HG1      PRO  45  13.865  10.756  -0.738
  384    HD2  PRO  45           HD2      PRO  45  11.671   9.436   0.155
  385    HD3  PRO  45           HD1      PRO  45  13.010   9.919   1.215
  386    H    GLY  46           HN       GLY  46  10.064  14.555   1.324
  387    HA2  GLY  46           HA2      GLY  46   8.883  15.623  -0.714
  388    HA3  GLY  46           HA1      GLY  46   8.165  14.022  -0.850
  389    H    GLY  47           HN       GLY  47   8.004  13.572   1.993
  390    HA2  GLY  47           HA2      GLY  47   6.964  14.925   3.844
  391    HA3  GLY  47           HA1      GLY  47   5.821  15.458   2.619
  392    H    GLU  48           HN       GLU  48   4.946  14.285   4.941
  393    HA   GLU  48           HA       GLU  48   4.383  11.488   4.334
  394    HB2  GLU  48           HB2      GLU  48   3.431  11.363   6.543
  395    HB3  GLU  48           HB1      GLU  48   4.973  12.201   6.650
  396    HG2  GLU  48           HG2      GLU  48   3.786  14.347   6.699
  397    HG3  GLU  48           HG1      GLU  48   2.251  13.485   6.642
  398    H    GLU  49           HN       GLU  49   2.907  14.594   4.151
  399    HA   GLU  49           HA       GLU  49   0.194  13.989   4.241
  400    HB2  GLU  49           HB2      GLU  49   1.214  16.269   4.193
  401    HB3  GLU  49           HB1      GLU  49   1.525  16.054   2.477
  402    HG2  GLU  49           HG2      GLU  49  -0.443  17.368   2.733
  403    HG3  GLU  49           HG1      GLU  49  -0.911  15.782   2.124
  404    H    VAL  50           HN       VAL  50   2.376  14.021   1.442
  405    HA   VAL  50           HA       VAL  50   0.404  13.311  -0.454
  406    HB   VAL  50           HB       VAL  50   2.304  12.765  -1.952
  407   HG11  VAL  50          HG11      VAL  50   3.160  15.030  -2.106
  408   HG12  VAL  50          HG12      VAL  50   2.618  15.371  -0.463
  409   HG13  VAL  50          HG13      VAL  50   1.437  15.058  -1.734
  410   HG21  VAL  50          HG21      VAL  50   4.602  13.290  -1.127
  411   HG22  VAL  50          HG22      VAL  50   3.886  11.849  -0.401
  412   HG23  VAL  50          HG23      VAL  50   3.946  13.361   0.510
  413    H    LEU  51           HN       LEU  51   1.916  11.455   1.938
  414    HA   LEU  51           HA       LEU  51   1.633   8.964   0.437
  415    HB2  LEU  51           HB2      LEU  51   2.738   9.511   3.188
  416    HB3  LEU  51           HB1      LEU  51   2.652   7.922   2.453
  417    HG   LEU  51           HG       LEU  51   4.237  10.240   1.340
  418   HD11  LEU  51          HD11      LEU  51   5.142   7.826   2.898
  419   HD12  LEU  51          HD12      LEU  51   5.163   9.500   3.453
  420   HD13  LEU  51          HD13      LEU  51   6.199   9.000   2.115
  421   HD21  LEU  51          HD21      LEU  51   4.106   7.326   0.563
  422   HD22  LEU  51          HD22      LEU  51   5.267   8.494  -0.068
  423   HD23  LEU  51          HD23      LEU  51   3.547   8.699  -0.394
  424    H    ARG  52           HN       ARG  52   0.349  10.580   3.317
  425    HA   ARG  52           HA       ARG  52  -1.336   8.419   4.052
  426    HB2  ARG  52           HB2      ARG  52  -2.516  10.142   5.472
  427    HB3  ARG  52           HB1      ARG  52  -0.808   9.924   5.789
  428    HG2  ARG  52           HG2      ARG  52  -0.963  12.199   5.840
  429    HG3  ARG  52           HG1      ARG  52  -0.550  11.944   4.146
  430    HD2  ARG  52           HD2      ARG  52  -2.374  13.575   4.448
  431    HD3  ARG  52           HD1      ARG  52  -2.861  12.173   3.496
  432    HE   ARG  52           HE       ARG  52  -3.757  11.375   5.802
  433   HH11  ARG  52          HH11      ARG  52  -3.729  14.702   4.618
  434   HH12  ARG  52          HH12      ARG  52  -5.267  15.122   5.473
  435   HH21  ARG  52          HH21      ARG  52  -5.698  11.886   6.894
  436   HH22  ARG  52          HH22      ARG  52  -6.369  13.557   6.731
  437    H    GLU  53           HN       GLU  53  -1.669  10.930   1.687
  438    HA   GLU  53           HA       GLU  53  -4.546  10.659   1.552
  439    HB2  GLU  53           HB2      GLU  53  -4.418  12.200  -0.354
  440    HB3  GLU  53           HB1      GLU  53  -3.564  12.823   1.048
  441    HG2  GLU  53           HG2      GLU  53  -1.434  12.078   0.036
  442    HG3  GLU  53           HG1      GLU  53  -2.333  11.568  -1.393
  443    H    GLN  54           HN       GLN  54  -2.130   8.688   0.687
  444    HA   GLN  54           HA       GLN  54  -3.670   7.544  -1.552
  445    HB2  GLN  54           HB2      GLN  54  -0.676   7.329  -1.181
  446    HB3  GLN  54           HB1      GLN  54  -1.613   6.772  -2.557
  447    HG2  GLN  54           HG2      GLN  54  -1.592   9.663  -1.812
  448    HG3  GLN  54           HG1      GLN  54  -0.265   8.967  -2.731
  449   HE21  GLN  54          HE21      GLN  54  -3.690   9.672  -2.736
  450   HE22  GLN  54          HE22      GLN  54  -3.897   9.584  -4.451
  451    H    ALA  55           HN       ALA  55  -3.162   7.214   1.544
  452    HA   ALA  55           HA       ALA  55  -2.225   4.549   1.865
  453    HB1  ALA  55           HB1      ALA  55  -3.839   6.256   3.752
  454    HB2  ALA  55           HB2      ALA  55  -2.078   6.214   3.653
  455    HB3  ALA  55           HB3      ALA  55  -2.969   4.782   4.175
  456    H    GLY  56           HN       GLY  56  -3.275   2.683   1.702
  457    HA2  GLY  56           HA2      GLY  56  -5.073   1.198   1.850
  458    HA3  GLY  56           HA1      GLY  56  -6.157   2.564   2.066
  459    H    GLY  57           HN       GLY  57  -4.120   3.113  -0.537
  460    HA2  GLY  57           HA2      GLY  57  -5.958   1.831  -2.437
  461    HA3  GLY  57           HA1      GLY  57  -5.683   3.564  -2.545
  462    H    ASP  58           HN       ASP  58  -5.120   2.407  -4.773
  463    HA   ASP  58           HA       ASP  58  -2.304   1.609  -4.794
  464    HB2  ASP  58           HB2      ASP  58  -3.886   0.210  -6.059
  465    HB3  ASP  58           HB1      ASP  58  -4.347   1.603  -7.029
  466    H    ALA  59           HN       ALA  59  -0.743   2.911  -5.422
  467    HA   ALA  59           HA       ALA  59  -1.493   5.451  -6.721
  468    HB1  ALA  59           HB1      ALA  59   0.305   6.547  -5.542
  469    HB2  ALA  59           HB2      ALA  59   0.795   5.024  -4.801
  470    HB3  ALA  59           HB3      ALA  59  -0.757   5.748  -4.383
  471    H    THR  60           HN       THR  60  -0.791   2.970  -8.030
  472    HA   THR  60           HA       THR  60   1.863   2.832  -8.868
  473    HB   THR  60           HB       THR  60  -0.630   2.115 -10.428
  474    HG1  THR  60           HG1      THR  60  -0.635   0.786  -8.735
  475   HG21  THR  60          HG21      THR  60   0.934   0.551 -11.630
  476   HG22  THR  60          HG22      THR  60   2.272   1.424 -10.888
  477   HG23  THR  60          HG23      THR  60   1.181   2.261 -11.988
  478    H    GLU  61           HN       GLU  61  -0.854   4.614 -10.327
  479    HA   GLU  61           HA       GLU  61   0.554   5.627 -12.523
  480    HB2  GLU  61           HB2      GLU  61  -1.203   7.373 -12.614
  481    HB3  GLU  61           HB1      GLU  61  -1.851   5.749 -12.456
  482    HG2  GLU  61           HG2      GLU  61  -2.237   6.133 -10.079
  483    HG3  GLU  61           HG1      GLU  61  -1.573   7.759 -10.235
  484    H    ASN  62           HN       ASN  62   0.311   6.778  -9.220
  485    HA   ASN  62           HA       ASN  62   1.553   9.300  -9.662
  486    HB2  ASN  62           HB2      ASN  62   0.131   8.296  -7.624
  487    HB3  ASN  62           HB1      ASN  62   1.743   7.969  -7.002
  488   HD21  ASN  62          HD21      ASN  62  -0.266   9.779  -5.968
  489   HD22  ASN  62          HD22      ASN  62   0.455  11.353  -5.974
  490    H    PHE  63           HN       PHE  63   2.664   6.107  -8.769
  491    HA   PHE  63           HA       PHE  63   5.323   6.739  -8.077
  492    HB2  PHE  63           HB2      PHE  63   3.965   4.584  -7.664
  493    HB3  PHE  63           HB1      PHE  63   4.452   4.120  -9.288
  494    HD1  PHE  63           HD2      PHE  63   5.632   4.842  -5.887
  495    HD2  PHE  63           HD1      PHE  63   6.665   3.360  -9.740
  496    HE1  PHE  63           HE2      PHE  63   7.728   3.940  -4.974
  497    HE2  PHE  63           HE1      PHE  63   8.764   2.453  -8.834
  498    HZ   PHE  63           HZ       PHE  63   9.300   2.744  -6.448
  499    H    GLU  64           HN       GLU  64   3.891   5.625 -11.135
  500    HA   GLU  64           HA       GLU  64   6.388   5.660 -12.540
  501    HB2  GLU  64           HB2      GLU  64   3.794   5.801 -14.012
  502    HB3  GLU  64           HB1      GLU  64   5.242   4.881 -14.386
  503    HG2  GLU  64           HG2      GLU  64   3.456   4.216 -12.071
  504    HG3  GLU  64           HG1      GLU  64   3.200   3.574 -13.689
  505    H    ASP  65           HN       ASP  65   3.667   7.877 -12.230
  506    HA   ASP  65           HA       ASP  65   4.246   9.670 -14.277
  507    HB2  ASP  65           HB2      ASP  65   2.166   9.689 -12.952
  508    HB3  ASP  65           HB1      ASP  65   3.062  10.290 -11.562
  509    H    VAL  66           HN       VAL  66   5.136   9.977 -10.848
  510    HA   VAL  66           HA       VAL  66   6.755  12.260 -11.210
  511    HB   VAL  66           HB       VAL  66   6.734  10.214  -8.984
  512   HG11  VAL  66          HG11      VAL  66   7.961  11.824  -7.650
  513   HG12  VAL  66          HG12      VAL  66   8.019  12.944  -9.010
  514   HG13  VAL  66          HG13      VAL  66   8.887  11.409  -9.091
  515   HG21  VAL  66          HG21      VAL  66   4.637  11.457  -9.286
  516   HG22  VAL  66          HG22      VAL  66   5.525  12.975  -9.154
  517   HG23  VAL  66          HG23      VAL  66   5.438  11.882  -7.774
  518    H    GLY  67           HN       GLY  67   7.525   8.799 -11.057
  519    HA2  GLY  67           HA2      GLY  67   9.313   7.779 -12.210
  520    HA3  GLY  67           HA1      GLY  67  10.049   9.364 -12.417
  521    H    HIS  68           HN       HIS  68  10.558   6.533 -11.006
  522    HA   HIS  68           HA       HIS  68  11.873   7.734  -8.659
  523    HB2  HIS  68           HB2      HIS  68  10.434   5.113  -8.958
  524    HB3  HIS  68           HB1      HIS  68  11.673   5.321  -7.725
  525    HD1  HIS  68           HD1      HIS  68   8.353   6.902  -8.766
  526    HD2  HIS  68           HD2      HIS  68  10.809   6.425  -5.445
  527    HE1  HIS  68           HE1      HIS  68   7.084   7.852  -6.795
  528    H    SER  69           HN       SER  69  13.792   6.563  -7.909
  529    HA   SER  69           HA       SER  69  15.492   5.934 -10.153
  530    HB2  SER  69           HB2      SER  69  17.179   5.704  -8.145
  531    HB3  SER  69           HB1      SER  69  16.615   7.296  -8.644
  532    HG   SER  69           HG       SER  69  15.476   7.487  -6.853
  533    H    THR  70           HN       THR  70  16.994   4.038 -10.008
  534    HA   THR  70           HA       THR  70  15.565   1.636  -9.792
  535    HB   THR  70           HB       THR  70  18.564   1.746  -9.608
  536    HG1  THR  70           HG1      THR  70  16.987   2.139 -11.965
  537   HG21  THR  70          HG21      THR  70  16.621  -0.098 -11.006
  538   HG22  THR  70          HG22      THR  70  17.530  -0.451  -9.534
  539   HG23  THR  70          HG23      THR  70  18.378  -0.239 -11.067
  540    H    ASP  71           HN       ASP  71  17.770   3.268  -7.570
  541    HA   ASP  71           HA       ASP  71  17.931   1.192  -5.657
  542    HB2  ASP  71           HB2      ASP  71  19.510   3.102  -5.742
  543    HB3  ASP  71           HB1      ASP  71  18.217   4.178  -5.218
  544    H    ALA  72           HN       ALA  72  15.716   3.880  -6.103
  545    HA   ALA  72           HA       ALA  72  14.339   3.691  -3.657
  546    HB1  ALA  72           HB1      ALA  72  13.348   4.714  -6.314
  547    HB2  ALA  72           HB2      ALA  72  14.202   5.656  -5.094
  548    HB3  ALA  72           HB3      ALA  72  12.597   5.015  -4.750
  549    H    ARG  73           HN       ARG  73  13.548   2.334  -6.871
  550    HA   ARG  73           HA       ARG  73  11.178   1.066  -6.007
  551    HB2  ARG  73           HB2      ARG  73  11.394  -0.300  -8.105
  552    HB3  ARG  73           HB1      ARG  73  11.422   1.440  -8.343
  553    HG2  ARG  73           HG2      ARG  73  13.239   1.130  -9.565
  554    HG3  ARG  73           HG1      ARG  73  14.088   0.753  -8.065
  555    HD2  ARG  73           HD2      ARG  73  14.481  -1.011  -9.645
  556    HD3  ARG  73           HD1      ARG  73  13.444  -1.621  -8.355
  557    HE   ARG  73           HE       ARG  73  12.046  -0.640 -10.687
  558   HH11  ARG  73          HH11      ARG  73  13.492  -3.416  -9.058
  559   HH12  ARG  73          HH12      ARG  73  12.522  -4.611 -10.016
  560   HH21  ARG  73          HH21      ARG  73  10.793  -2.132 -11.899
  561   HH22  ARG  73          HH22      ARG  73  11.020  -3.895 -11.590
  562    H    GLU  74           HN       GLU  74  14.526   0.101  -5.871
  563    HA   GLU  74           HA       GLU  74  13.932  -2.646  -5.250
  564    HB2  GLU  74           HB2      GLU  74  16.474  -1.024  -5.088
  565    HB3  GLU  74           HB1      GLU  74  16.387  -2.717  -4.612
  566    HG2  GLU  74           HG2      GLU  74  15.938  -1.548  -7.350
  567    HG3  GLU  74           HG1      GLU  74  17.242  -2.616  -6.829
  568    H    LEU  75           HN       LEU  75  14.260   0.317  -3.496
  569    HA   LEU  75           HA       LEU  75  14.769  -0.798  -0.938
  570    HB2  LEU  75           HB2      LEU  75  15.234   1.532  -1.389
  571    HB3  LEU  75           HB1      LEU  75  13.553   1.833  -1.783
  572    HG   LEU  75           HG       LEU  75  12.924   1.443   0.552
  573   HD11  LEU  75          HD11      LEU  75  14.685   1.249   2.266
  574   HD12  LEU  75          HD12      LEU  75  15.876   1.042   0.983
  575   HD13  LEU  75          HD13      LEU  75  14.601  -0.155   1.205
  576   HD21  LEU  75          HD21      LEU  75  13.878   3.449   1.494
  577   HD22  LEU  75          HD22      LEU  75  13.542   3.711  -0.219
  578   HD23  LEU  75          HD23      LEU  75  15.194   3.412   0.322
  579    H    SER  76           HN       SER  76  11.846   0.029  -2.723
  580    HA   SER  76           HA       SER  76  10.038  -0.498  -0.614
  581    HB2  SER  76           HB2      SER  76   8.559  -0.906  -2.867
  582    HB3  SER  76           HB1      SER  76   8.912   0.683  -2.186
  583    HG   SER  76           HG       SER  76  10.367  -0.660  -4.228
  584    H    LYS  77           HN       LYS  77  11.942  -2.577  -2.447
  585    HA   LYS  77           HA       LYS  77  10.220  -4.796  -2.770
  586    HB2  LYS  77           HB2      LYS  77  12.438  -4.342  -3.925
  587    HB3  LYS  77           HB1      LYS  77  13.216  -4.907  -2.454
  588    HG2  LYS  77           HG2      LYS  77  12.093  -7.078  -2.718
  589    HG3  LYS  77           HG1      LYS  77  11.363  -6.497  -4.217
  590    HD2  LYS  77           HD2      LYS  77  13.673  -6.081  -5.085
  591    HD3  LYS  77           HD1      LYS  77  14.297  -6.888  -3.646
  592    HE2  LYS  77           HE2      LYS  77  13.158  -8.937  -4.256
  593    HE3  LYS  77           HE1      LYS  77  12.406  -8.137  -5.639
  594    HZ1  LYS  77           HZ1      LYS  77  15.324  -8.551  -5.266
  595    HZ2  LYS  77           HZ2      LYS  77  14.593  -7.812  -6.600
  596    HZ3  LYS  77           HZ3      LYS  77  14.329  -9.453  -6.295
  597    H    THR  78           HN       THR  78  11.901  -3.551  -0.010
  598    HA   THR  78           HA       THR  78  11.618  -6.106   1.379
  599    HB   THR  78           HB       THR  78  13.763  -4.903   1.640
  600    HG1  THR  78           HG1      THR  78  12.105  -5.310   3.914
  601   HG21  THR  78          HG21      THR  78  13.004  -2.602   1.557
  602   HG22  THR  78          HG22      THR  78  13.831  -2.892   3.090
  603   HG23  THR  78          HG23      THR  78  12.068  -2.827   3.037
  604    H    PHE  79           HN       PHE  79   9.566  -3.753   0.679
  605    HA   PHE  79           HA       PHE  79   8.351  -3.640   3.356
  606    HB2  PHE  79           HB2      PHE  79   7.746  -1.940   0.927
  607    HB3  PHE  79           HB1      PHE  79   7.028  -1.753   2.520
  608    HD1  PHE  79           HD2      PHE  79   9.615  -2.202   4.094
  609    HD2  PHE  79           HD1      PHE  79   8.683   0.215   0.726
  610    HE1  PHE  79           HE2      PHE  79  11.409  -0.646   4.721
  611    HE2  PHE  79           HE1      PHE  79  10.480   1.778   1.349
  612    HZ   PHE  79           HZ       PHE  79  11.847   1.348   3.349
  613    H    ILE  80           HN       ILE  80   8.241  -5.569   0.798
  614    HA   ILE  80           HA       ILE  80   5.447  -5.660   0.220
  615    HB   ILE  80           HB       ILE  80   7.057  -6.432  -1.436
  616   HG12  ILE  80          HG12      ILE  80   6.024  -8.688  -1.929
  617   HG13  ILE  80          HG11      ILE  80   5.188  -8.560  -0.385
  618   HG21  ILE  80          HG21      ILE  80   8.343  -8.459  -1.187
  619   HG22  ILE  80          HG22      ILE  80   7.674  -8.721   0.425
  620   HG23  ILE  80          HG23      ILE  80   8.735  -7.343   0.124
  621   HD11  ILE  80          HD11      ILE  80   3.784  -7.910  -2.285
  622   HD12  ILE  80          HD12      ILE  80   4.921  -6.615  -2.664
  623   HD13  ILE  80          HD13      ILE  80   4.025  -6.585  -1.145
  624    H    ILE  81           HN       ILE  81   3.908  -6.476   1.427
  625    HA   ILE  81           HA       ILE  81   4.629  -8.541   3.398
  626    HB   ILE  81           HB       ILE  81   2.528  -7.772   4.619
  627   HG12  ILE  81          HG12      ILE  81   2.959  -5.265   2.980
  628   HG13  ILE  81          HG11      ILE  81   1.668  -6.421   2.673
  629   HG21  ILE  81          HG21      ILE  81   4.908  -5.932   4.415
  630   HG22  ILE  81          HG22      ILE  81   4.751  -7.342   5.464
  631   HG23  ILE  81          HG23      ILE  81   3.731  -5.928   5.729
  632   HD11  ILE  81          HD11      ILE  81   0.681  -5.974   4.809
  633   HD12  ILE  81          HD12      ILE  81   0.951  -4.448   3.969
  634   HD13  ILE  81          HD13      ILE  81   2.037  -4.944   5.265
  635    H    GLY  82           HN       GLY  82   2.556  -7.707   0.749
  636    HA2  GLY  82           HA2      GLY  82   1.812 -10.323   0.226
  637    HA3  GLY  82           HA1      GLY  82   0.539  -9.637   1.220
  638    H    GLU  83           HN       GLU  83  -0.669 -10.212  -0.742
  639    HA   GLU  83           HA       GLU  83  -0.725  -7.956  -2.625
  640    HB2  GLU  83           HB2      GLU  83  -1.024 -10.893  -3.303
  641    HB3  GLU  83           HB1      GLU  83  -1.420  -9.585  -4.406
  642    HG2  GLU  83           HG2      GLU  83   0.979  -8.842  -4.185
  643    HG3  GLU  83           HG1      GLU  83   1.277 -10.373  -3.360
  644    H    LEU  84           HN       LEU  84  -2.940  -8.645  -4.042
  645    HA   LEU  84           HA       LEU  84  -5.044  -8.778  -1.985
  646    HB2  LEU  84           HB2      LEU  84  -5.028  -7.444  -4.698
  647    HB3  LEU  84           HB1      LEU  84  -6.476  -7.650  -3.735
  648    HG   LEU  84           HG       LEU  84  -5.864  -5.448  -3.318
  649   HD11  LEU  84          HD11      LEU  84  -5.152  -5.330  -1.022
  650   HD12  LEU  84          HD12      LEU  84  -4.502  -6.967  -1.108
  651   HD13  LEU  84          HD13      LEU  84  -6.241  -6.700  -1.240
  652   HD21  LEU  84          HD21      LEU  84  -3.704  -5.488  -4.437
  653   HD22  LEU  84          HD22      LEU  84  -2.996  -6.339  -3.062
  654   HD23  LEU  84          HD23      LEU  84  -3.586  -4.687  -2.869
  655    H    HIS  85           HN       HIS  85  -7.033  -9.889  -2.637
  656    HA   HIS  85           HA       HIS  85  -6.569 -12.449  -3.666
  657    HB2  HIS  85           HB2      HIS  85  -9.181 -10.926  -3.487
  658    HB3  HIS  85           HB1      HIS  85  -9.046 -12.650  -3.799
  659    HD1  HIS  85           HD1      HIS  85  -9.641 -10.367  -1.162
  660    HD2  HIS  85           HD2      HIS  85  -7.570 -13.959  -1.495
  661    HE1  HIS  85           HE1      HIS  85  -9.469 -11.277   1.184
  662    HE2  HIS  85           HE2      HIS  85  -8.351 -13.518   0.933
  663    HA   PRO  86           HA       PRO  86  -6.638 -12.040  -8.071
  664    HB2  PRO  86           HB2      PRO  86  -8.191 -14.237  -8.728
  665    HB3  PRO  86           HB1      PRO  86  -6.455 -14.292  -8.400
  666    HG2  PRO  86           HG2      PRO  86  -8.728 -14.964  -6.596
  667    HG3  PRO  86           HG1      PRO  86  -7.143 -15.745  -6.754
  668    HD2  PRO  86           HD2      PRO  86  -7.690 -14.098  -4.714
  669    HD3  PRO  86           HD1      PRO  86  -6.077 -14.167  -5.454
  670    H    ASP  87           HN       ASP  87  -9.664 -12.681  -6.392
  671    HA   ASP  87           HA       ASP  87 -11.332 -11.714  -8.509
  672    HB2  ASP  87           HB2      ASP  87 -12.100 -12.011  -5.602
  673    HB3  ASP  87           HB1      ASP  87 -13.158 -12.055  -7.010
  674    H    ASP  88           HN       ASP  88  -9.553 -10.299  -5.959
  675    HA   ASP  88           HA       ASP  88 -11.115  -7.853  -5.855
  676    HB2  ASP  88           HB2      ASP  88  -8.564  -8.726  -4.485
  677    HB3  ASP  88           HB1      ASP  88  -9.196  -7.091  -4.346
  678    H    ARG  89           HN       ARG  89  -8.809  -9.135  -7.897
  679    HA   ARG  89           HA       ARG  89  -7.966  -6.435  -8.716
  680    HB2  ARG  89           HB2      ARG  89  -6.311  -8.960  -8.710
  681    HB3  ARG  89           HB1      ARG  89  -5.823  -7.465  -9.497
  682    HG2  ARG  89           HG2      ARG  89  -6.025  -6.341  -7.258
  683    HG3  ARG  89           HG1      ARG  89  -6.237  -7.946  -6.558
  684    HD2  ARG  89           HD2      ARG  89  -3.862  -7.092  -8.205
  685    HD3  ARG  89           HD1      ARG  89  -3.904  -7.108  -6.444
  686    HE   ARG  89           HE       ARG  89  -4.608  -9.640  -7.531
  687   HH11  ARG  89          HH11      ARG  89  -1.870  -7.541  -6.769
  688   HH12  ARG  89          HH12      ARG  89  -0.708  -8.928  -6.665
  689   HH21  ARG  89          HH21      ARG  89  -3.142 -11.405  -7.393
  690   HH22  ARG  89          HH22      ARG  89  -1.411 -11.055  -7.019
  691    H    SER  90           HN       SER  90  -8.964  -9.639  -9.789
  692    HA   SER  90           HA       SER  90  -9.191  -8.516 -12.504
  693    HB2  SER  90           HB2      SER  90  -8.969 -11.184 -13.005
  694    HB3  SER  90           HB1      SER  90  -7.625 -10.047 -13.066
  695    HG   SER  90           HG       SER  90  -8.327 -11.284 -10.633
  696    H    LYS  91           HN       LYS  91 -11.282  -8.303 -10.737
  697    HA   LYS  91           HA       LYS  91 -13.352  -9.632 -12.176
  698    HB2  LYS  91           HB2      LYS  91 -12.548 -11.404 -10.540
  699    HB3  LYS  91           HB1      LYS  91 -13.166 -10.375  -9.256
  700    HG2  LYS  91           HG2      LYS  91 -15.410 -10.532 -10.175
  701    HG3  LYS  91           HG1      LYS  91 -14.808 -11.513 -11.511
  702    HD2  LYS  91           HD2      LYS  91 -14.553 -12.298  -8.615
  703    HD3  LYS  91           HD1      LYS  91 -15.891 -12.802  -9.647
  704    HE2  LYS  91           HE2      LYS  91 -12.987 -13.340 -10.251
  705    HE3  LYS  91           HE1      LYS  91 -14.051 -14.478  -9.430
  706    HZ1  LYS  91           HZ1      LYS  91 -13.871 -14.939 -11.797
  707    HZ2  LYS  91           HZ2      LYS  91 -14.470 -13.409 -12.168
  708    HZ3  LYS  91           HZ3      LYS  91 -15.457 -14.535 -11.383
  709    H    LEU  92           HN       LEU  92 -12.952  -8.401  -8.850
  710    HA   LEU  92           HA       LEU  92 -13.909  -6.692  -7.718
  711    HB2  LEU  92           HB2      LEU  92 -13.992  -5.600 -10.511
  712    HB3  LEU  92           HB1      LEU  92 -14.707  -4.705  -9.188
  713    HG   LEU  92           HG       LEU  92 -12.570  -3.776  -9.452
  714   HD11  LEU  92          HD11      LEU  92 -11.443  -4.213  -7.410
  715   HD12  LEU  92          HD12      LEU  92 -12.141  -5.828  -7.298
  716   HD13  LEU  92          HD13      LEU  92 -13.171  -4.407  -7.109
  717   HD21  LEU  92          HD21      LEU  92 -11.458  -6.574  -9.566
  718   HD22  LEU  92          HD22      LEU  92 -10.514  -5.087  -9.621
  719   HD23  LEU  92          HD23      LEU  92 -11.634  -5.467 -10.927
  720    H    SER  93           HN       SER  93 -15.560  -8.935  -8.633
  721    HA   SER  93           HA       SER  93 -18.183  -7.700  -8.969
  722    HB2  SER  93           HB2      SER  93 -17.463 -10.636  -8.963
  723    HB3  SER  93           HB1      SER  93 -18.983  -9.916  -9.494
  724    HG   SER  93           HG       SER  93 -17.637  -8.734 -11.061
  725    H    LYS  94           HN       LYS  94 -17.745  -6.845  -6.721
  726    HA   LYS  94           HA       LYS  94 -18.970  -8.665  -4.779
  727    HB2  LYS  94           HB2      LYS  94 -16.487  -7.005  -4.366
  728    HB3  LYS  94           HB1      LYS  94 -17.438  -7.643  -3.036
  729    HG2  LYS  94           HG2      LYS  94 -16.785  -9.801  -3.415
  730    HG3  LYS  94           HG1      LYS  94 -16.471  -9.520  -5.129
  731    HD2  LYS  94           HD2      LYS  94 -14.393  -9.852  -3.861
  732    HD3  LYS  94           HD1      LYS  94 -14.474  -8.242  -4.574
  733    HE2  LYS  94           HE2      LYS  94 -15.599  -7.772  -2.167
  734    HE3  LYS  94           HE1      LYS  94 -14.486  -9.074  -1.751
  735    HZ1  LYS  94           HZ1      LYS  94 -13.393  -6.964  -1.475
  736    HZ2  LYS  94           HZ2      LYS  94 -13.783  -6.504  -3.061
  737    HZ3  LYS  94           HZ3      LYS  94 -12.693  -7.774  -2.797
  738    HA   PRO  95           HA       PRO  95 -21.453  -5.113  -3.889
  739    HB2  PRO  95           HB2      PRO  95 -22.245  -5.628  -1.361
  740    HB3  PRO  95           HB1      PRO  95 -22.820  -6.578  -2.737
  741    HG2  PRO  95           HG2      PRO  95 -20.689  -7.241  -0.760
  742    HG3  PRO  95           HG1      PRO  95 -21.949  -8.285  -1.446
  743    HD2  PRO  95           HD2      PRO  95 -19.377  -8.287  -2.330
  744    HD3  PRO  95           HD1      PRO  95 -20.765  -8.690  -3.359
  745    H    MET  96           HN       MET  96 -21.263  -3.075  -3.055
  746    HA   MET  96           HA       MET  96 -18.908  -2.595  -1.375
  747    HB2  MET  96           HB2      MET  96 -18.986  -1.417  -3.555
  748    HB3  MET  96           HB1      MET  96 -20.474  -0.624  -3.058
  749    HG2  MET  96           HG2      MET  96 -19.331   0.541  -1.299
  750    HG3  MET  96           HG1      MET  96 -17.848  -0.351  -1.618
  751    HE1  MET  96           HE1      MET  96 -20.463   2.088  -2.979
  752    HE2  MET  96           HE2      MET  96 -20.244   1.201  -4.486
  753    HE3  MET  96           HE3      MET  96 -19.676   2.867  -4.350
  754    H    GLU  97           HN       GLU  97 -22.123  -1.150  -1.844
  755    HA   GLU  97           HA       GLU  97 -23.696  -0.375  -0.416
  756    HB2  GLU  97           HB2      GLU  97 -23.678  -2.598   0.542
  757    HB3  GLU  97           HB1      GLU  97 -22.285  -2.199   1.532
  758    HG2  GLU  97           HG2      GLU  97 -23.907  -0.330   2.443
  759    HG3  GLU  97           HG1      GLU  97 -25.134  -1.468   1.879
  760    H    THR  98           HN       THR  98 -23.302   1.763  -0.275
  761    HA   THR  98           HA       THR  98 -21.988   2.699   2.130
  762    HB   THR  98           HB       THR  98 -20.192   2.529   0.345
  763    HG1  THR  98           HG1      THR  98 -19.263   4.138   1.379
  764   HG21  THR  98          HG21      THR  98 -21.712   4.858  -0.843
  765   HG22  THR  98          HG22      THR  98 -21.556   3.258  -1.566
  766   HG23  THR  98          HG23      THR  98 -20.131   4.277  -1.366
  767    H    LEU  99           HN       LEU  99 -22.119   5.187   2.192
  768    HA   LEU  99           HA       LEU  99 -23.481   6.987   2.440
  769    HB2  LEU  99           HB2      LEU  99 -24.112   6.280  -0.422
  770    HB3  LEU  99           HB1      LEU  99 -24.588   7.781   0.346
  771    HG   LEU  99           HG       LEU  99 -21.731   6.879  -0.017
  772   HD11  LEU  99          HD11      LEU  99 -22.725   7.336  -2.165
  773   HD12  LEU  99          HD12      LEU  99 -21.641   8.655  -1.726
  774   HD13  LEU  99          HD13      LEU  99 -23.385   8.860  -1.572
  775   HD21  LEU  99          HD21      LEU  99 -21.946   8.336   1.877
  776   HD22  LEU  99          HD22      LEU  99 -22.955   9.456   0.960
  777   HD23  LEU  99          HD23      LEU  99 -21.253   9.255   0.541
  778    H    ILE 100           HN       ILE 100 -24.672   5.262   3.859
  779    HA   ILE 100           HA       ILE 100 -27.494   5.284   3.009
  780    HB   ILE 100           HB       ILE 100 -27.805   3.235   4.430
  781   HG12  ILE 100          HG12      ILE 100 -24.781   3.162   4.316
  782   HG13  ILE 100          HG11      ILE 100 -25.743   3.457   5.760
  783   HG21  ILE 100          HG21      ILE 100 -25.958   2.987   2.058
  784   HG22  ILE 100          HG22      ILE 100 -27.718   3.107   2.005
  785   HG23  ILE 100          HG23      ILE 100 -26.952   1.689   2.727
  786   HD11  ILE 100          HD11      ILE 100 -25.017   1.199   5.810
  787   HD12  ILE 100          HD12      ILE 100 -25.575   0.922   4.159
  788   HD13  ILE 100          HD13      ILE 100 -26.746   1.194   5.451
  789    H    THR 101           HN       THR 101 -25.596   6.955   4.830
  790    HA   THR 101           HA       THR 101 -27.578   7.336   6.927
  791    HB   THR 101           HB       THR 101 -24.661   7.038   7.659
  792    HG1  THR 101           HG1      THR 101 -26.705   5.119   7.433
  793   HG21  THR 101          HG21      THR 101 -25.472   6.942   9.929
  794   HG22  THR 101          HG22      THR 101 -27.146   6.983   9.374
  795   HG23  THR 101          HG23      THR 101 -26.109   8.392   9.156
  796    H    THR 102           HN       THR 102 -27.691   9.438   7.664
  797    HA   THR 102           HA       THR 102 -26.404  11.435   6.062
  798    HB   THR 102           HB       THR 102 -27.690  12.571   8.349
  799    HG1  THR 102           HG1      THR 102 -29.134  11.064   8.741
  800   HG21  THR 102          HG21      THR 102 -27.603  13.696   6.235
  801   HG22  THR 102          HG22      THR 102 -29.297  13.357   6.590
  802   HG23  THR 102          HG23      THR 102 -28.422  12.359   5.429
  803    H    VAL 103           HN       VAL 103 -24.322  11.873   6.432
  804    HA   VAL 103           HA       VAL 103 -23.353  11.921   9.200
  805    HB   VAL 103           HB       VAL 103 -21.091  11.834   8.255
  806   HG11  VAL 103          HG11      VAL 103 -22.898   9.705   7.122
  807   HG12  VAL 103          HG12      VAL 103 -22.276   9.757   8.771
  808   HG13  VAL 103          HG13      VAL 103 -21.164   9.555   7.417
  809   HG21  VAL 103          HG21      VAL 103 -20.749  11.446   5.852
  810   HG22  VAL 103          HG22      VAL 103 -21.476  13.021   6.158
  811   HG23  VAL 103          HG23      VAL 103 -22.470  11.691   5.570
  812    H    ASP 104           HN       ASP 104 -24.847  14.025   7.501
  813    HA   ASP 104           HA       ASP 104 -23.237  16.257   8.431
  814    HB2  ASP 104           HB2      ASP 104 -23.109  17.391   6.390
  815    HB3  ASP 104           HB1      ASP 104 -22.751  15.729   5.939
  816    HHB  HEM 400           HB       HEM 400  12.011   5.320  -2.083
  817    HHC  HEM 400           HC       HEM 400   5.727   5.003  -2.725
  818    HHD  HEM 400           HD       HEM 400   5.647  10.966  -4.853
  819    HMA  HEM 400          HMA1      HEM 400  13.837   6.124  -1.717
  820   HMAA  HEM 400          HMA2      HEM 400  14.789   7.578  -1.788
  821   HMAB  HEM 400          HMA3      HEM 400  14.799   6.527  -3.183
  822    HAA  HEM 400          HAA1      HEM 400  14.648  10.063  -2.764
  823   HAAA  HEM 400          HAA2      HEM 400  13.895  10.656  -4.235
  824    HBA  HEM 400          HBA1      HEM 400  15.045   8.003  -4.617
  825   HBAA  HEM 400          HBA2      HEM 400  16.246   9.176  -4.080
  826    HMB  HEM 400          HMB1      HEM 400  10.796   2.541  -2.235
  827   HMBA  HEM 400          HMB2      HEM 400   9.912   2.587  -0.705
  828   HMBB  HEM 400          HMB3      HEM 400  11.315   3.631  -0.960
  829    HAB  HEM 400           HAB      HEM 400   6.817   2.565  -2.554
  830    HBB  HEM 400          HBB1      HEM 400   7.791   2.945   0.391
  831   HBBA  HEM 400          HBB2      HEM 400   6.568   1.642  -0.316
  832    HMC  HEM 400          HMC1      HEM 400   2.608   6.878  -3.827
  833   HMCA  HEM 400          HMC2      HEM 400   3.396   6.171  -2.414
  834   HMCB  HEM 400          HMC3      HEM 400   3.650   5.483  -4.019
  835    HAC  HEM 400           HAC      HEM 400   3.469   9.891  -5.351
  836    HBC  HEM 400          HBC1      HEM 400   2.262   8.868  -2.654
  837   HBCA  HEM 400          HBC2      HEM 400   1.462  10.020  -3.967
  838    HMD  HEM 400          HMD1      HEM 400   6.975  13.746  -4.609
  839   HMDA  HEM 400          HMD2      HEM 400   6.311  12.719  -5.884
  840   HMDB  HEM 400          HMD3      HEM 400   7.717  13.744  -6.198
  841    HAD  HEM 400          HAD1      HEM 400   9.830  14.138  -5.068
  842   HADA  HEM 400          HAD2      HEM 400  11.251  13.168  -4.723
  843    HBD  HEM 400          HBD1      HEM 400  10.166  12.500  -7.329
  844   HBDA  HEM 400          HBD2      HEM 400  11.783  13.064  -6.905
  845    HHA  HEM 400           HA       HEM 400  11.964  11.190  -4.454
  Start of MODEL   15
    1    H1   MET   1           HT1      MET   1  20.868 -12.481  17.583
    2    H2   MET   1           HT2      MET   1  21.478 -12.686  19.143
    3    H3   MET   1           HT3      MET   1  20.818 -11.199  18.682
    4    HA   MET   1           HA       MET   1  19.387 -13.760  19.032
    5    HB2  MET   1           HB2      MET   1  19.198 -11.110  20.484
    6    HB3  MET   1           HB1      MET   1  18.107 -12.464  20.735
    7    HG2  MET   1           HG2      MET   1  19.602 -12.635  22.490
    8    HG3  MET   1           HG1      MET   1  20.207 -13.806  21.320
    9    HE1  MET   1           HE1      MET   1  23.554 -12.565  22.846
   10    HE2  MET   1           HE2      MET   1  22.532 -13.948  22.459
   11    HE3  MET   1           HE3      MET   1  22.038 -12.815  23.717
   12    H    ALA   2           HN       ALA   2  18.935 -10.288  18.337
   13    HA   ALA   2           HA       ALA   2  16.391 -10.857  17.063
   14    HB1  ALA   2           HB1      ALA   2  16.694  -8.859  18.503
   15    HB2  ALA   2           HB2      ALA   2  16.134  -8.473  16.875
   16    HB3  ALA   2           HB3      ALA   2  17.824  -8.216  17.309
   17    H    ALA   3           HN       ALA   3  17.318 -12.199  15.389
   18    HA   ALA   3           HA       ALA   3  18.126 -10.598  13.075
   19    HB1  ALA   3           HB1      ALA   3  20.184 -11.517  14.107
   20    HB2  ALA   3           HB2      ALA   3  19.895 -12.121  12.474
   21    HB3  ALA   3           HB3      ALA   3  19.537 -13.142  13.866
   22    H    GLN   4           HN       GLN   4  16.322 -10.912  11.885
   23    HA   GLN   4           HA       GLN   4  15.842 -13.568  10.846
   24    HB2  GLN   4           HB2      GLN   4  13.346 -13.351  11.337
   25    HB3  GLN   4           HB1      GLN   4  14.385 -13.797  12.681
   26    HG2  GLN   4           HG2      GLN   4  14.048 -11.844  13.776
   27    HG3  GLN   4           HG1      GLN   4  13.824 -10.918  12.294
   28   HE21  GLN   4          HE21      GLN   4  11.993  -9.928  13.161
   29   HE22  GLN   4          HE22      GLN   4  10.480 -10.766  13.274
   30    H    SER   5           HN       SER   5  14.793 -13.563   8.880
   31    HA   SER   5           HA       SER   5  13.753 -11.046   7.828
   32    HB2  SER   5           HB2      SER   5  15.918 -12.673   6.456
   33    HB3  SER   5           HB1      SER   5  15.095 -11.278   5.757
   34    HG   SER   5           HG       SER   5  16.099 -10.718   8.221
   35    H    ASP   6           HN       ASP   6  11.701 -11.766   7.559
   36    HA   ASP   6           HA       ASP   6  11.291 -14.347   6.226
   37    HB2  ASP   6           HB2      ASP   6   9.727 -12.727   8.139
   38    HB3  ASP   6           HB1      ASP   6   8.793 -13.567   6.906
   39    H    LYS   7           HN       LYS   7  10.672 -14.455   4.191
   40    HA   LYS   7           HA       LYS   7   9.525 -12.045   2.934
   41    HB2  LYS   7           HB2      LYS   7  11.335 -14.091   1.629
   42    HB3  LYS   7           HB1      LYS   7  10.640 -12.681   0.844
   43    HG2  LYS   7           HG2      LYS   7  12.635 -12.650   3.099
   44    HG3  LYS   7           HG1      LYS   7  12.971 -12.307   1.400
   45    HD2  LYS   7           HD2      LYS   7  11.571 -10.351   1.467
   46    HD3  LYS   7           HD1      LYS   7  11.041 -10.739   3.104
   47    HE2  LYS   7           HE2      LYS   7  13.312 -10.413   3.929
   48    HE3  LYS   7           HE1      LYS   7  13.869 -10.067   2.293
   49    HZ1  LYS   7           HZ1      LYS   7  12.439  -8.126   2.257
   50    HZ2  LYS   7           HZ2      LYS   7  13.515  -8.043   3.558
   51    HZ3  LYS   7           HZ3      LYS   7  11.898  -8.460   3.825
   52    H    ASP   8           HN       ASP   8   7.408 -12.547   2.895
   53    HA   ASP   8           HA       ASP   8   6.607 -14.914   1.373
   54    HB2  ASP   8           HB2      ASP   8   6.491 -15.549   3.758
   55    HB3  ASP   8           HB1      ASP   8   5.445 -14.171   4.072
   56    H    VAL   9           HN       VAL   9   4.475 -14.722   0.462
   57    HA   VAL   9           HA       VAL   9   3.605 -11.918   0.277
   58    HB   VAL   9           HB       VAL   9   4.354 -12.584  -1.871
   59   HG11  VAL   9          HG11      VAL   9   2.720 -15.083  -1.511
   60   HG12  VAL   9          HG12      VAL   9   4.473 -14.953  -1.644
   61   HG13  VAL   9          HG13      VAL   9   3.451 -14.593  -3.037
   62   HG21  VAL   9          HG21      VAL   9   2.352 -11.314  -2.039
   63   HG22  VAL   9          HG22      VAL   9   1.350 -12.727  -1.711
   64   HG23  VAL   9          HG23      VAL   9   2.244 -12.610  -3.227
   65    H    LYS  10           HN       LYS  10   2.036 -11.722   1.745
   66    HA   LYS  10           HA       LYS  10   0.024 -13.815   2.021
   67    HB2  LYS  10           HB2      LYS  10   0.962 -12.838   4.059
   68    HB3  LYS  10           HB1      LYS  10   0.434 -11.239   3.552
   69    HG2  LYS  10           HG2      LYS  10  -1.821 -11.743   3.905
   70    HG3  LYS  10           HG1      LYS  10  -1.514 -13.482   3.944
   71    HD2  LYS  10           HD2      LYS  10  -0.284 -11.654   5.978
   72    HD3  LYS  10           HD1      LYS  10  -1.937 -12.241   6.171
   73    HE2  LYS  10           HE2      LYS  10   0.473 -14.008   5.777
   74    HE3  LYS  10           HE1      LYS  10  -0.233 -13.623   7.344
   75    HZ1  LYS  10           HZ1      LYS  10  -1.065 -15.721   6.633
   76    HZ2  LYS  10           HZ2      LYS  10  -1.521 -15.114   5.123
   77    HZ3  LYS  10           HZ3      LYS  10  -2.336 -14.612   6.517
   78    H    TYR  11           HN       TYR  11  -1.896 -13.733   1.047
   79    HA   TYR  11           HA       TYR  11  -2.550 -11.466  -0.602
   80    HB2  TYR  11           HB2      TYR  11  -3.975 -14.085  -0.108
   81    HB3  TYR  11           HB1      TYR  11  -4.539 -12.857  -1.236
   82    HD1  TYR  11           HD1      TYR  11  -3.219 -12.335  -3.265
   83    HD2  TYR  11           HD2      TYR  11  -2.147 -15.528  -0.655
   84    HE1  TYR  11           HE1      TYR  11  -1.770 -13.273  -5.018
   85    HE2  TYR  11           HE2      TYR  11  -0.695 -16.471  -2.402
   86    HH   TYR  11           HH       TYR  11   0.516 -14.999  -4.782
   87    H    TYR  12           HN       TYR  12  -3.597  -9.758   0.091
   88    HA   TYR  12           HA       TYR  12  -5.275  -9.982   2.485
   89    HB2  TYR  12           HB2      TYR  12  -3.925  -7.635   1.158
   90    HB3  TYR  12           HB1      TYR  12  -5.134  -7.435   2.421
   91    HD1  TYR  12           HD2      TYR  12  -4.683  -8.347   4.702
   92    HD2  TYR  12           HD1      TYR  12  -1.683  -8.220   1.687
   93    HE1  TYR  12           HE2      TYR  12  -2.950  -8.620   6.423
   94    HE2  TYR  12           HE1      TYR  12   0.058  -8.495   3.403
   95    HH   TYR  12           HH       TYR  12  -0.758  -9.179   6.739
   96    H    THR  13           HN       THR  13  -7.196  -8.509   2.513
   97    HA   THR  13           HA       THR  13  -8.710  -8.872   0.035
   98    HB   THR  13           HB       THR  13 -10.000  -7.927   2.554
   99    HG1  THR  13           HG1      THR  13  -9.695  -9.791   3.600
  100   HG21  THR  13          HG21      THR  13 -11.768  -9.466   1.821
  101   HG22  THR  13          HG22      THR  13 -10.755  -9.986   0.475
  102   HG23  THR  13          HG23      THR  13 -11.339  -8.325   0.545
  103    H    LEU  14           HN       LEU  14  -9.980  -7.150  -0.836
  104    HA   LEU  14           HA       LEU  14  -8.754  -4.661  -1.004
  105    HB2  LEU  14           HB2      LEU  14 -10.383  -5.573  -2.630
  106    HB3  LEU  14           HB1      LEU  14 -11.669  -5.289  -1.474
  107    HG   LEU  14           HG       LEU  14 -11.132  -2.850  -1.566
  108   HD11  LEU  14          HD11      LEU  14  -9.808  -2.075  -3.514
  109   HD12  LEU  14          HD12      LEU  14  -9.320  -3.745  -3.804
  110   HD13  LEU  14          HD13      LEU  14  -8.847  -2.935  -2.311
  111   HD21  LEU  14          HD21      LEU  14 -11.832  -4.118  -4.210
  112   HD22  LEU  14          HD22      LEU  14 -12.218  -2.475  -3.698
  113   HD23  LEU  14          HD23      LEU  14 -12.954  -3.848  -2.875
  114    H    GLU  15           HN       GLU  15 -11.577  -5.612   0.937
  115    HA   GLU  15           HA       GLU  15 -11.794  -3.019   2.160
  116    HB2  GLU  15           HB2      GLU  15 -13.446  -4.240   3.666
  117    HB3  GLU  15           HB1      GLU  15 -13.827  -4.190   1.949
  118    HG2  GLU  15           HG2      GLU  15 -12.282  -6.527   2.863
  119    HG3  GLU  15           HG1      GLU  15 -13.944  -6.413   3.444
  120    H    GLU  16           HN       GLU  16  -9.511  -5.284   2.553
  121    HA   GLU  16           HA       GLU  16  -9.352  -5.084   5.469
  122    HB2  GLU  16           HB2      GLU  16  -9.057  -7.302   4.437
  123    HB3  GLU  16           HB1      GLU  16  -7.687  -6.693   3.522
  124    HG2  GLU  16           HG2      GLU  16  -6.839  -7.927   5.362
  125    HG3  GLU  16           HG1      GLU  16  -6.540  -6.219   5.680
  126    H    ILE  17           HN       ILE  17  -7.608  -4.211   2.536
  127    HA   ILE  17           HA       ILE  17  -5.385  -3.087   3.934
  128    HB   ILE  17           HB       ILE  17  -4.856  -2.035   1.667
  129   HG12  ILE  17          HG12      ILE  17  -6.165  -3.702  -0.066
  130   HG13  ILE  17          HG11      ILE  17  -7.440  -3.329   1.088
  131   HG21  ILE  17          HG21      ILE  17  -4.135  -4.222   0.736
  132   HG22  ILE  17          HG22      ILE  17  -5.093  -5.020   1.984
  133   HG23  ILE  17          HG23      ILE  17  -3.727  -4.002   2.437
  134   HD11  ILE  17          HD11      ILE  17  -7.303  -1.839  -0.927
  135   HD12  ILE  17          HD12      ILE  17  -5.793  -1.214  -0.261
  136   HD13  ILE  17          HD13      ILE  17  -7.299  -1.018   0.633
  137    H    LYS  18           HN       LYS  18  -8.295  -1.709   2.431
  138    HA   LYS  18           HA       LYS  18  -7.476   0.976   3.077
  139    HB2  LYS  18           HB2      LYS  18  -9.588   1.681   2.130
  140    HB3  LYS  18           HB1      LYS  18  -8.823   0.513   1.067
  141    HG2  LYS  18           HG2      LYS  18 -10.340  -1.191   1.698
  142    HG3  LYS  18           HG1      LYS  18 -10.966  -0.229   3.040
  143    HD2  LYS  18           HD2      LYS  18 -12.538  -0.188   1.194
  144    HD3  LYS  18           HD1      LYS  18 -11.834   1.415   1.414
  145    HE2  LYS  18           HE2      LYS  18 -10.117   0.211  -0.374
  146    HE3  LYS  18           HE1      LYS  18 -11.695  -0.398  -0.863
  147    HZ1  LYS  18           HZ1      LYS  18 -11.260   2.484  -0.383
  148    HZ2  LYS  18           HZ2      LYS  18 -12.471   1.734  -1.294
  149    HZ3  LYS  18           HZ3      LYS  18 -10.881   1.778  -1.873
  150    H    LYS  19           HN       LYS  19  -8.250  -1.326   5.064
  151    HA   LYS  19           HA       LYS  19  -9.864   0.393   6.826
  152    HB2  LYS  19           HB2      LYS  19 -10.802  -1.896   5.999
  153    HB3  LYS  19           HB1      LYS  19  -9.664  -2.592   7.143
  154    HG2  LYS  19           HG2      LYS  19 -11.781  -2.449   8.209
  155    HG3  LYS  19           HG1      LYS  19 -10.734  -1.226   8.931
  156    HD2  LYS  19           HD2      LYS  19 -12.341   0.262   8.504
  157    HD3  LYS  19           HD1      LYS  19 -11.967   0.065   6.791
  158    HE2  LYS  19           HE2      LYS  19 -13.615  -1.705   6.609
  159    HE3  LYS  19           HE1      LYS  19 -13.952  -1.599   8.337
  160    HZ1  LYS  19           HZ1      LYS  19 -15.622  -0.430   7.049
  161    HZ2  LYS  19           HZ2      LYS  19 -14.442   0.546   6.339
  162    HZ3  LYS  19           HZ3      LYS  19 -14.748   0.664   7.996
  163    H    HIS  20           HN       HIS  20  -6.837  -0.423   6.232
  164    HA   HIS  20           HA       HIS  20  -6.074  -0.775   9.055
  165    HB2  HIS  20           HB2      HIS  20  -4.947  -1.779   6.508
  166    HB3  HIS  20           HB1      HIS  20  -3.769  -1.249   7.701
  167    HD1  HIS  20           HD1      HIS  20  -6.454  -3.827   7.149
  168    HD2  HIS  20           HD2      HIS  20  -3.431  -2.942   9.861
  169    HE1  HIS  20           HE1      HIS  20  -6.266  -5.844   8.640
  170    HE2  HIS  20           HE2      HIS  20  -4.291  -5.366  10.118
  171    H    ASN  21           HN       ASN  21  -6.230   1.461   6.579
  172    HA   ASN  21           HA       ASN  21  -3.834   2.913   7.037
  173    HB2  ASN  21           HB2      ASN  21  -4.937   4.703   5.704
  174    HB3  ASN  21           HB1      ASN  21  -4.935   3.135   4.912
  175   HD21  ASN  21          HD21      ASN  21  -6.628   5.276   4.248
  176   HD22  ASN  21          HD22      ASN  21  -8.257   4.799   4.577
  177    H    HIS  22           HN       HIS  22  -3.793   3.080   9.326
  178    HA   HIS  22           HA       HIS  22  -5.552   5.207  10.363
  179    HB2  HIS  22           HB2      HIS  22  -4.319   2.924  11.918
  180    HB3  HIS  22           HB1      HIS  22  -5.300   4.209  12.604
  181    HD1  HIS  22           HD1      HIS  22  -5.871   1.017  12.512
  182    HD2  HIS  22           HD2      HIS  22  -7.710   4.003  10.280
  183    HE1  HIS  22           HE1      HIS  22  -8.101   0.074  11.828
  184    HE2  HIS  22           HE2      HIS  22  -9.155   1.861  10.396
  185    H    SER  23           HN       SER  23  -2.623   3.701  11.675
  186    HA   SER  23           HA       SER  23  -1.077   6.110  11.205
  187    HB2  SER  23           HB2      SER  23  -0.474   6.007  13.773
  188    HB3  SER  23           HB1      SER  23  -1.896   6.891  13.220
  189    HG   SER  23           HG       SER  23  -3.109   5.547  14.281
  190    H    LYS  24           HN       LYS  24  -1.160   2.984  12.914
  191    HA   LYS  24           HA       LYS  24   1.666   2.618  12.193
  192    HB2  LYS  24           HB2      LYS  24   1.617   0.836  13.983
  193    HB3  LYS  24           HB1      LYS  24   1.439   2.491  14.545
  194    HG2  LYS  24           HG2      LYS  24  -1.008   2.136  14.664
  195    HG3  LYS  24           HG1      LYS  24  -0.749   0.448  14.221
  196    HD2  LYS  24           HD2      LYS  24   0.544   0.064  16.209
  197    HD3  LYS  24           HD1      LYS  24   0.496   1.780  16.619
  198    HE2  LYS  24           HE2      LYS  24  -1.989   1.589  16.769
  199    HE3  LYS  24           HE1      LYS  24  -1.812  -0.152  16.561
  200    HZ1  LYS  24           HZ1      LYS  24  -0.417  -0.178  18.563
  201    HZ2  LYS  24           HZ2      LYS  24  -1.985   0.372  18.882
  202    HZ3  LYS  24           HZ3      LYS  24  -0.708   1.472  18.781
  203    H    SER  25           HN       SER  25  -0.666   2.135  10.462
  204    HA   SER  25           HA       SER  25   0.125  -0.471   9.511
  205    HB2  SER  25           HB2      SER  25  -2.784   0.023  10.211
  206    HB3  SER  25           HB1      SER  25  -2.120  -1.432   9.475
  207    HG   SER  25           HG       SER  25  -0.726  -1.080  11.646
  208    H    THR  26           HN       THR  26   0.174   2.349   8.710
  209    HA   THR  26           HA       THR  26  -1.758   2.765   6.653
  210    HB   THR  26           HB       THR  26   0.893   4.163   6.752
  211    HG1  THR  26           HG1      THR  26   0.432   4.516   8.810
  212   HG21  THR  26          HG21      THR  26  -0.459   6.092   6.087
  213   HG22  THR  26          HG22      THR  26  -1.926   5.120   6.196
  214   HG23  THR  26          HG23      THR  26  -0.709   4.746   4.978
  215    H    TRP  27           HN       TRP  27  -1.736   1.149   5.167
  216    HA   TRP  27           HA       TRP  27   0.783   0.436   3.882
  217    HB2  TRP  27           HB2      TRP  27  -1.972  -0.801   3.713
  218    HB3  TRP  27           HB1      TRP  27  -0.570  -1.375   2.816
  219    HD1  TRP  27           HD1      TRP  27   1.332  -0.823   5.565
  220    HE1  TRP  27           HE1      TRP  27   1.299  -2.691   7.333
  221    HE3  TRP  27           HE3      TRP  27  -2.976  -3.178   4.164
  222    HZ2  TRP  27           HZ2      TRP  27  -0.343  -4.880   8.038
  223    HZ3  TRP  27           HZ3      TRP  27  -3.710  -5.154   5.435
  224    HH2  TRP  27           HH2      TRP  27  -2.418  -5.985   7.333
  225    H    LEU  28           HN       LEU  28   1.152   0.626   1.719
  226    HA   LEU  28           HA       LEU  28  -0.738   2.318   0.217
  227    HB2  LEU  28           HB2      LEU  28   2.167   2.512   0.642
  228    HB3  LEU  28           HB1      LEU  28   1.662   2.701  -1.025
  229    HG   LEU  28           HG       LEU  28   0.169   4.303   0.964
  230   HD11  LEU  28          HD11      LEU  28   2.372   4.553   1.882
  231   HD12  LEU  28          HD12      LEU  28   1.954   6.023   1.002
  232   HD13  LEU  28          HD13      LEU  28   3.053   4.845   0.280
  233   HD21  LEU  28          HD21      LEU  28   0.377   5.992  -0.814
  234   HD22  LEU  28          HD22      LEU  28  -0.308   4.480  -1.404
  235   HD23  LEU  28          HD23      LEU  28   1.375   4.872  -1.740
  236    H    ILE  29           HN       ILE  29  -1.095   1.777  -1.940
  237    HA   ILE  29           HA       ILE  29  -0.136  -0.901  -2.659
  238    HB   ILE  29           HB       ILE  29  -2.621   0.567  -3.536
  239   HG12  ILE  29          HG12      ILE  29  -2.201  -1.972  -1.948
  240   HG13  ILE  29          HG11      ILE  29  -2.773  -0.433  -1.314
  241   HG21  ILE  29          HG21      ILE  29  -3.178  -1.444  -4.835
  242   HG22  ILE  29          HG22      ILE  29  -1.592  -2.115  -4.456
  243   HG23  ILE  29          HG23      ILE  29  -1.717  -0.654  -5.435
  244   HD11  ILE  29          HD11      ILE  29  -4.218  -2.094  -3.365
  245   HD12  ILE  29          HD12      ILE  29  -4.802  -0.617  -2.601
  246   HD13  ILE  29          HD13      ILE  29  -4.571  -2.076  -1.638
  247    H    LEU  30           HN       LEU  30   1.290  -1.071  -4.205
  248    HA   LEU  30           HA       LEU  30   1.343   0.920  -6.369
  249    HB2  LEU  30           HB2      LEU  30   3.778  -0.301  -5.065
  250    HB3  LEU  30           HB1      LEU  30   3.780   0.840  -6.394
  251    HG   LEU  30           HG       LEU  30   2.729   1.500  -3.645
  252   HD11  LEU  30          HD11      LEU  30   4.856   2.687  -3.324
  253   HD12  LEU  30          HD12      LEU  30   5.446   2.011  -4.844
  254   HD13  LEU  30          HD13      LEU  30   5.081   0.946  -3.488
  255   HD21  LEU  30          HD21      LEU  30   3.565   3.282  -5.932
  256   HD22  LEU  30          HD22      LEU  30   2.855   3.783  -4.396
  257   HD23  LEU  30          HD23      LEU  30   1.898   2.856  -5.550
  258    H    HIS  31           HN       HIS  31   1.210  -0.008  -8.314
  259    HA   HIS  31           HA       HIS  31   1.175  -1.579  -9.959
  260    HB2  HIS  31           HB2      HIS  31   3.334  -2.718  -8.200
  261    HB3  HIS  31           HB1      HIS  31   2.743  -3.630  -9.583
  262    HD1  HIS  31           HD1      HIS  31   4.272  -3.372 -11.484
  263    HD2  HIS  31           HD2      HIS  31   4.006   0.131  -9.263
  264    HE1  HIS  31           HE1      HIS  31   5.791  -1.733 -12.630
  265    HE2  HIS  31           HE2      HIS  31   5.763   0.312 -11.161
  266    H    HIS  32           HN       HIS  32  -0.568  -1.588  -7.642
  267    HA   HIS  32           HA       HIS  32  -2.314  -2.734  -6.801
  268    HB2  HIS  32           HB2      HIS  32  -1.646  -4.634  -9.046
  269    HB3  HIS  32           HB1      HIS  32  -3.054  -4.818  -8.006
  270    HD1  HIS  32           HD1      HIS  32  -2.632  -3.900 -11.223
  271    HD2  HIS  32           HD2      HIS  32  -4.165  -1.766  -8.002
  272    HE1  HIS  32           HE1      HIS  32  -4.049  -2.080 -12.229
  273    HE2  HIS  32           HE2      HIS  32  -4.864  -0.728 -10.265
  274    H    LYS  33           HN       LYS  33   0.372  -3.129  -5.765
  275    HA   LYS  33           HA       LYS  33  -0.043  -5.720  -4.424
  276    HB2  LYS  33           HB2      LYS  33   2.609  -4.351  -4.934
  277    HB3  LYS  33           HB1      LYS  33   2.377  -5.908  -4.152
  278    HG2  LYS  33           HG2      LYS  33   1.268  -6.617  -6.353
  279    HG3  LYS  33           HG1      LYS  33   2.027  -5.175  -7.031
  280    HD2  LYS  33           HD2      LYS  33   4.216  -5.979  -6.393
  281    HD3  LYS  33           HD1      LYS  33   3.503  -7.371  -5.575
  282    HE2  LYS  33           HE2      LYS  33   2.451  -7.846  -7.903
  283    HE3  LYS  33           HE1      LYS  33   3.734  -6.794  -8.495
  284    HZ1  LYS  33           HZ1      LYS  33   5.342  -8.250  -7.358
  285    HZ2  LYS  33           HZ2      LYS  33   4.469  -9.057  -8.558
  286    HZ3  LYS  33           HZ3      LYS  33   4.076  -9.291  -6.932
  287    H    VAL  34           HN       VAL  34   0.701  -5.762  -2.149
  288    HA   VAL  34           HA       VAL  34   0.074  -3.196  -0.883
  289    HB   VAL  34           HB       VAL  34   0.297  -5.896   0.454
  290   HG11  VAL  34          HG11      VAL  34  -1.053  -4.834   2.218
  291   HG12  VAL  34          HG12      VAL  34  -0.994  -3.310   1.333
  292   HG13  VAL  34          HG13      VAL  34   0.489  -4.011   1.983
  293   HG21  VAL  34          HG21      VAL  34  -1.422  -6.000  -1.262
  294   HG22  VAL  34          HG22      VAL  34  -2.153  -4.519  -0.646
  295   HG23  VAL  34          HG23      VAL  34  -2.159  -5.980   0.341
  296    H    TYR  35           HN       TYR  35   1.649  -1.952  -0.157
  297    HA   TYR  35           HA       TYR  35   4.168  -3.210   0.732
  298    HB2  TYR  35           HB2      TYR  35   3.748  -0.474  -0.498
  299    HB3  TYR  35           HB1      TYR  35   5.276  -1.060   0.142
  300    HD1  TYR  35           HD1      TYR  35   2.790  -1.485  -2.537
  301    HD2  TYR  35           HD2      TYR  35   6.657  -2.539  -1.119
  302    HE1  TYR  35           HE1      TYR  35   3.329  -2.431  -4.737
  303    HE2  TYR  35           HE2      TYR  35   7.212  -3.486  -3.320
  304    HH   TYR  35           HH       TYR  35   5.132  -3.042  -6.081
  305    H    ASP  36           HN       ASP  36   4.668  -2.941   2.815
  306    HA   ASP  36           HA       ASP  36   3.112  -1.011   4.375
  307    HB2  ASP  36           HB2      ASP  36   3.039  -3.214   5.315
  308    HB3  ASP  36           HB1      ASP  36   4.789  -3.380   5.213
  309    H    LEU  37           HN       LEU  37   3.959   0.861   4.698
  310    HA   LEU  37           HA       LEU  37   6.747   1.092   5.492
  311    HB2  LEU  37           HB2      LEU  37   7.226   2.884   3.961
  312    HB3  LEU  37           HB1      LEU  37   6.679   1.499   3.039
  313    HG   LEU  37           HG       LEU  37   4.666   3.566   3.778
  314   HD11  LEU  37          HD11      LEU  37   6.698   3.888   1.577
  315   HD12  LEU  37          HD12      LEU  37   6.541   4.903   3.008
  316   HD13  LEU  37          HD13      LEU  37   5.261   4.885   1.796
  317   HD21  LEU  37          HD21      LEU  37   3.927   2.969   1.434
  318   HD22  LEU  37          HD22      LEU  37   3.817   1.683   2.635
  319   HD23  LEU  37          HD23      LEU  37   5.146   1.696   1.475
  320    H    THR  38           HN       THR  38   4.182   1.173   6.795
  321    HA   THR  38           HA       THR  38   3.213   3.745   7.272
  322    HB   THR  38           HB       THR  38   2.120   1.568   7.913
  323    HG1  THR  38           HG1      THR  38   2.314   3.591   9.924
  324   HG21  THR  38          HG21      THR  38   3.953   1.796  10.303
  325   HG22  THR  38          HG22      THR  38   4.012   0.537   9.067
  326   HG23  THR  38          HG23      THR  38   2.612   0.661  10.134
  327    H    LYS  39           HN       LYS  39   6.108   2.263   8.402
  328    HA   LYS  39           HA       LYS  39   6.440   4.347  10.441
  329    HB2  LYS  39           HB2      LYS  39   7.497   1.603  10.095
  330    HB3  LYS  39           HB1      LYS  39   8.591   2.777  10.813
  331    HG2  LYS  39           HG2      LYS  39   5.812   2.223  11.834
  332    HG3  LYS  39           HG1      LYS  39   7.272   1.451  12.452
  333    HD2  LYS  39           HD2      LYS  39   8.182   3.632  13.065
  334    HD3  LYS  39           HD1      LYS  39   6.739   4.418  12.424
  335    HE2  LYS  39           HE2      LYS  39   5.386   3.158  14.074
  336    HE3  LYS  39           HE1      LYS  39   6.879   2.514  14.755
  337    HZ1  LYS  39           HZ1      LYS  39   6.176   5.388  14.589
  338    HZ2  LYS  39           HZ2      LYS  39   7.580   4.754  15.278
  339    HZ3  LYS  39           HZ3      LYS  39   6.075   4.443  15.986
  340    H    PHE  40           HN       PHE  40   7.082   3.908   7.280
  341    HA   PHE  40           HA       PHE  40   9.682   5.288   7.406
  342    HB2  PHE  40           HB2      PHE  40   8.470   3.720   5.126
  343    HB3  PHE  40           HB1      PHE  40  10.041   4.507   5.101
  344    HD1  PHE  40           HD1      PHE  40   8.090   1.865   6.833
  345    HD2  PHE  40           HD2      PHE  40  11.940   3.367   5.821
  346    HE1  PHE  40           HE1      PHE  40   9.116  -0.202   7.684
  347    HE2  PHE  40           HE2      PHE  40  12.972   1.303   6.674
  348    HZ   PHE  40           HZ       PHE  40  11.566  -0.485   7.605
  349    H    LEU  41           HN       LEU  41   6.533   5.979   7.154
  350    HA   LEU  41           HA       LEU  41   6.203   7.534   4.864
  351    HB2  LEU  41           HB2      LEU  41   5.000   8.055   7.584
  352    HB3  LEU  41           HB1      LEU  41   4.391   8.644   6.051
  353    HG   LEU  41           HG       LEU  41   4.523   5.724   6.809
  354   HD11  LEU  41          HD11      LEU  41   2.975   6.875   8.271
  355   HD12  LEU  41          HD12      LEU  41   2.084   5.910   7.094
  356   HD13  LEU  41          HD13      LEU  41   2.211   7.656   6.886
  357   HD21  LEU  41          HD21      LEU  41   3.151   7.155   4.536
  358   HD22  LEU  41          HD22      LEU  41   3.000   5.437   4.911
  359   HD23  LEU  41          HD23      LEU  41   4.558   6.097   4.405
  360    H    GLU  42           HN       GLU  42   7.453   8.401   8.049
  361    HA   GLU  42           HA       GLU  42   7.819  11.161   7.453
  362    HB2  GLU  42           HB2      GLU  42   9.206  11.119   9.552
  363    HB3  GLU  42           HB1      GLU  42   7.556  10.543   9.735
  364    HG2  GLU  42           HG2      GLU  42   8.318   8.248   9.700
  365    HG3  GLU  42           HG1      GLU  42   9.972   8.783   9.406
  366    H    GLU  43           HN       GLU  43   9.700   8.311   6.938
  367    HA   GLU  43           HA       GLU  43  12.220   9.669   6.614
  368    HB2  GLU  43           HB2      GLU  43  11.421   6.852   5.861
  369    HB3  GLU  43           HB1      GLU  43  13.065   7.472   5.921
  370    HG2  GLU  43           HG2      GLU  43  12.544   7.979   8.389
  371    HG3  GLU  43           HG1      GLU  43  11.188   6.874   8.170
  372    H    HIS  44           HN       HIS  44   9.496   9.133   4.671
  373    HA   HIS  44           HA       HIS  44  10.789   8.957   2.139
  374    HB2  HIS  44           HB2      HIS  44   8.435   8.212   2.617
  375    HB3  HIS  44           HB1      HIS  44   7.974   9.909   2.708
  376    HD1  HIS  44           HD1      HIS  44   7.433  11.054   0.498
  377    HD2  HIS  44           HD2      HIS  44   9.345   7.391   0.026
  378    HE1  HIS  44           HE1      HIS  44   7.367  10.531  -1.974
  379    HA   PRO  45           HA       PRO  45  11.938  13.251   1.767
  380    HB2  PRO  45           HB2      PRO  45  12.510  13.216  -0.904
  381    HB3  PRO  45           HB1      PRO  45  13.609  12.595   0.333
  382    HG2  PRO  45           HG2      PRO  45  11.737  11.094  -1.435
  383    HG3  PRO  45           HG1      PRO  45  13.393  10.685  -0.946
  384    HD2  PRO  45           HD2      PRO  45  11.240   9.535   0.198
  385    HD3  PRO  45           HD1      PRO  45  12.736   9.856   1.099
  386    H    GLY  46           HN       GLY  46  10.852  15.097   1.251
  387    HA2  GLY  46           HA2      GLY  46   9.412  16.421  -0.101
  388    HA3  GLY  46           HA1      GLY  46   8.713  14.945  -0.749
  389    H    GLY  47           HN       GLY  47   8.677  13.985   2.182
  390    HA2  GLY  47           HA2      GLY  47   7.401  14.677   4.133
  391    HA3  GLY  47           HA1      GLY  47   6.339  15.560   3.047
  392    H    GLU  48           HN       GLU  48   5.569  13.654   5.009
  393    HA   GLU  48           HA       GLU  48   4.885  11.195   3.668
  394    HB2  GLU  48           HB2      GLU  48   3.779  10.607   5.745
  395    HB3  GLU  48           HB1      GLU  48   5.359  11.293   6.097
  396    HG2  GLU  48           HG2      GLU  48   3.899  13.517   6.263
  397    HG3  GLU  48           HG1      GLU  48   2.659  12.337   6.687
  398    H    GLU  49           HN       GLU  49   3.648  14.272   3.567
  399    HA   GLU  49           HA       GLU  49   0.899  14.032   3.773
  400    HB2  GLU  49           HB2      GLU  49   2.314  16.126   3.400
  401    HB3  GLU  49           HB1      GLU  49   2.243  15.734   1.687
  402    HG2  GLU  49           HG2      GLU  49   0.523  17.271   2.010
  403    HG3  GLU  49           HG1      GLU  49  -0.289  15.707   1.967
  404    H    VAL  50           HN       VAL  50   2.912  13.570   0.873
  405    HA   VAL  50           HA       VAL  50   0.745  12.967  -0.850
  406    HB   VAL  50           HB       VAL  50   2.484  12.076  -2.392
  407   HG11  VAL  50          HG11      VAL  50   3.595  14.221  -2.765
  408   HG12  VAL  50          HG12      VAL  50   3.097  14.760  -1.163
  409   HG13  VAL  50          HG13      VAL  50   1.884  14.441  -2.401
  410   HG21  VAL  50          HG21      VAL  50   4.855  12.361  -1.771
  411   HG22  VAL  50          HG22      VAL  50   4.037  11.145  -0.790
  412   HG23  VAL  50          HG23      VAL  50   4.355  12.747  -0.122
  413    H    LEU  51           HN       LEU  51   2.306  11.121   1.545
  414    HA   LEU  51           HA       LEU  51   1.631   8.572   0.313
  415    HB2  LEU  51           HB2      LEU  51   2.878   9.160   3.000
  416    HB3  LEU  51           HB1      LEU  51   2.708   7.573   2.276
  417    HG   LEU  51           HG       LEU  51   4.439   9.823   1.239
  418   HD11  LEU  51          HD11      LEU  51   5.119   7.182   2.518
  419   HD12  LEU  51          HD12      LEU  51   5.345   8.782   3.226
  420   HD13  LEU  51          HD13      LEU  51   6.280   8.305   1.809
  421   HD21  LEU  51          HD21      LEU  51   3.972   7.041   0.174
  422   HD22  LEU  51          HD22      LEU  51   5.262   8.118  -0.359
  423   HD23  LEU  51          HD23      LEU  51   3.577   8.563  -0.626
  424    H    ARG  52           HN       ARG  52   0.737  10.498   3.156
  425    HA   ARG  52           HA       ARG  52  -1.140   8.611   4.139
  426    HB2  ARG  52           HB2      ARG  52  -1.960  10.482   5.571
  427    HB3  ARG  52           HB1      ARG  52  -0.228  10.200   5.677
  428    HG2  ARG  52           HG2      ARG  52  -0.160  12.440   5.508
  429    HG3  ARG  52           HG1      ARG  52  -0.244  12.090   3.782
  430    HD2  ARG  52           HD2      ARG  52  -1.816  13.847   4.400
  431    HD3  ARG  52           HD1      ARG  52  -2.666  12.414   3.830
  432    HE   ARG  52           HE       ARG  52  -3.223  11.919   6.129
  433   HH11  ARG  52          HH11      ARG  52  -1.910  15.140   5.509
  434   HH12  ARG  52          HH12      ARG  52  -2.703  15.848   6.971
  435   HH21  ARG  52          HH21      ARG  52  -4.202  12.782   7.990
  436   HH22  ARG  52          HH22      ARG  52  -3.959  14.529   8.373
  437    H    GLU  53           HN       GLU  53  -1.329  10.986   1.643
  438    HA   GLU  53           HA       GLU  53  -4.211  11.154   1.727
  439    HB2  GLU  53           HB2      GLU  53  -4.040  12.628  -0.143
  440    HB3  GLU  53           HB1      GLU  53  -2.752  13.041   0.978
  441    HG2  GLU  53           HG2      GLU  53  -1.106  12.119  -0.391
  442    HG3  GLU  53           HG1      GLU  53  -2.287  11.214  -1.334
  443    H    GLN  54           HN       GLN  54  -1.977   8.957   0.477
  444    HA   GLN  54           HA       GLN  54  -3.983   7.894  -1.407
  445    HB2  GLN  54           HB2      GLN  54  -0.970   7.616  -1.475
  446    HB3  GLN  54           HB1      GLN  54  -2.071   6.780  -2.560
  447    HG2  GLN  54           HG2      GLN  54  -1.883   9.772  -2.349
  448    HG3  GLN  54           HG1      GLN  54  -0.988   8.811  -3.519
  449   HE21  GLN  54          HE21      GLN  54  -4.177   9.819  -2.494
  450   HE22  GLN  54          HE22      GLN  54  -4.972   9.491  -3.992
  451    H    ALA  55           HN       ALA  55  -3.318   7.526   1.565
  452    HA   ALA  55           HA       ALA  55  -2.389   4.891   1.948
  453    HB1  ALA  55           HB1      ALA  55  -4.119   6.575   3.749
  454    HB2  ALA  55           HB2      ALA  55  -2.357   6.590   3.704
  455    HB3  ALA  55           HB3      ALA  55  -3.215   5.139   4.222
  456    H    GLY  56           HN       GLY  56  -3.359   3.031   1.526
  457    HA2  GLY  56           HA2      GLY  56  -5.083   1.447   1.672
  458    HA3  GLY  56           HA1      GLY  56  -6.228   2.746   1.957
  459    H    GLY  57           HN       GLY  57  -4.208   3.441  -0.659
  460    HA2  GLY  57           HA2      GLY  57  -6.041   2.177  -2.579
  461    HA3  GLY  57           HA1      GLY  57  -5.812   3.918  -2.633
  462    H    ASP  58           HN       ASP  58  -5.272   2.520  -4.872
  463    HA   ASP  58           HA       ASP  58  -2.477   1.828  -4.987
  464    HB2  ASP  58           HB2      ASP  58  -4.172   0.671  -6.379
  465    HB3  ASP  58           HB1      ASP  58  -4.454   2.177  -7.248
  466    H    ALA  59           HN       ALA  59  -0.887   3.195  -5.245
  467    HA   ALA  59           HA       ALA  59  -1.489   5.875  -6.306
  468    HB1  ALA  59           HB1      ALA  59   0.298   6.740  -4.966
  469    HB2  ALA  59           HB2      ALA  59   0.808   5.115  -4.508
  470    HB3  ALA  59           HB3      ALA  59  -0.733   5.751  -3.929
  471    H    THR  60           HN       THR  60  -0.672   3.318  -7.749
  472    HA   THR  60           HA       THR  60   1.982   3.509  -8.644
  473    HB   THR  60           HB       THR  60  -0.341   2.558 -10.322
  474    HG1  THR  60           HG1      THR  60  -0.627   1.339  -8.571
  475   HG21  THR  60          HG21      THR  60   2.551   1.687 -10.204
  476   HG22  THR  60          HG22      THR  60   1.842   2.713 -11.450
  477   HG23  THR  60          HG23      THR  60   1.310   1.041 -11.278
  478    H    GLU  61           HN       GLU  61  -0.935   5.138  -9.614
  479    HA   GLU  61           HA       GLU  61  -0.123   6.242 -12.044
  480    HB2  GLU  61           HB2      GLU  61  -1.874   8.013 -11.480
  481    HB3  GLU  61           HB1      GLU  61  -2.415   6.340 -11.531
  482    HG2  GLU  61           HG2      GLU  61  -2.517   6.196  -9.180
  483    HG3  GLU  61           HG1      GLU  61  -1.620   7.698  -8.976
  484    H    ASN  62           HN       ASN  62   0.713   7.112  -8.791
  485    HA   ASN  62           HA       ASN  62   1.846   9.662  -9.690
  486    HB2  ASN  62           HB2      ASN  62   0.466   9.203  -7.458
  487    HB3  ASN  62           HB1      ASN  62   2.055   8.748  -6.857
  488   HD21  ASN  62          HD21      ASN  62  -0.020  11.307  -7.762
  489   HD22  ASN  62          HD22      ASN  62   1.046  12.607  -7.356
  490    H    PHE  63           HN       PHE  63   2.697   6.535  -8.378
  491    HA   PHE  63           HA       PHE  63   5.388   6.903  -7.789
  492    HB2  PHE  63           HB2      PHE  63   3.920   4.890  -7.310
  493    HB3  PHE  63           HB1      PHE  63   4.205   4.387  -8.969
  494    HD1  PHE  63           HD2      PHE  63   5.708   4.831  -5.657
  495    HD2  PHE  63           HD1      PHE  63   6.335   3.490  -9.649
  496    HE1  PHE  63           HE2      PHE  63   7.761   3.680  -4.945
  497    HE2  PHE  63           HE1      PHE  63   8.388   2.331  -8.940
  498    HZ   PHE  63           HZ       PHE  63   9.104   2.427  -6.584
  499    H    GLU  64           HN       GLU  64   3.871   5.917 -10.842
  500    HA   GLU  64           HA       GLU  64   6.386   5.816 -12.243
  501    HB2  GLU  64           HB2      GLU  64   5.016   5.359 -14.230
  502    HB3  GLU  64           HB1      GLU  64   4.569   4.312 -12.890
  503    HG2  GLU  64           HG2      GLU  64   2.605   5.606 -12.453
  504    HG3  GLU  64           HG1      GLU  64   3.094   6.828 -13.624
  505    H    ASP  65           HN       ASP  65   3.894   8.163 -11.684
  506    HA   ASP  65           HA       ASP  65   4.378   9.874 -13.870
  507    HB2  ASP  65           HB2      ASP  65   2.367   9.963 -12.373
  508    HB3  ASP  65           HB1      ASP  65   3.391  10.678 -11.131
  509    H    VAL  66           HN       VAL  66   5.603   9.917 -10.547
  510    HA   VAL  66           HA       VAL  66   7.315  12.163 -11.002
  511    HB   VAL  66           HB       VAL  66   7.374  10.111  -8.780
  512   HG11  VAL  66          HG11      VAL  66   9.494  11.442  -9.170
  513   HG12  VAL  66          HG12      VAL  66   8.777  11.575  -7.562
  514   HG13  VAL  66          HG13      VAL  66   8.563  12.874  -8.737
  515   HG21  VAL  66          HG21      VAL  66   5.262  11.467  -9.060
  516   HG22  VAL  66          HG22      VAL  66   6.234  12.897  -8.701
  517   HG23  VAL  66          HG23      VAL  66   6.064  11.617  -7.496
  518    H    GLY  67           HN       GLY  67   7.797   8.659 -10.846
  519    HA2  GLY  67           HA2      GLY  67   9.402   7.476 -12.112
  520    HA3  GLY  67           HA1      GLY  67  10.279   8.984 -12.360
  521    H    HIS  68           HN       HIS  68  10.574   6.101 -10.936
  522    HA   HIS  68           HA       HIS  68  12.057   7.210  -8.649
  523    HB2  HIS  68           HB2      HIS  68  10.449   4.693  -8.914
  524    HB3  HIS  68           HB1      HIS  68  11.737   4.805  -7.719
  525    HD1  HIS  68           HD1      HIS  68   8.487   6.573  -8.639
  526    HD2  HIS  68           HD2      HIS  68  11.056   6.042  -5.413
  527    HE1  HIS  68           HE1      HIS  68   7.363   7.653  -6.650
  528    H    SER  69           HN       SER  69  14.053   6.374  -8.141
  529    HA   SER  69           HA       SER  69  15.714   5.685 -10.301
  530    HB2  SER  69           HB2      SER  69  17.053   5.040  -7.921
  531    HB3  SER  69           HB1      SER  69  17.104   6.584  -8.779
  532    HG   SER  69           HG       SER  69  16.390   7.078  -6.748
  533    H    THR  70           HN       THR  70  17.135   3.769 -10.392
  534    HA   THR  70           HA       THR  70  15.711   1.392 -10.621
  535    HB   THR  70           HB       THR  70  18.582   1.033 -10.152
  536    HG1  THR  70           HG1      THR  70  19.069   2.915 -11.023
  537   HG21  THR  70          HG21      THR  70  16.825   0.624 -12.571
  538   HG22  THR  70          HG22      THR  70  17.164  -0.586 -11.333
  539   HG23  THR  70          HG23      THR  70  18.466   0.011 -12.362
  540    H    ASP  71           HN       ASP  71  17.901   2.477  -8.039
  541    HA   ASP  71           HA       ASP  71  17.632   0.044  -6.552
  542    HB2  ASP  71           HB2      ASP  71  19.644   1.496  -6.418
  543    HB3  ASP  71           HB1      ASP  71  18.671   2.726  -5.616
  544    H    ALA  72           HN       ALA  72  15.963   3.100  -6.616
  545    HA   ALA  72           HA       ALA  72  14.741   2.995  -4.086
  546    HB1  ALA  72           HB1      ALA  72  13.710   4.257  -6.619
  547    HB2  ALA  72           HB2      ALA  72  14.780   5.017  -5.440
  548    HB3  ALA  72           HB3      ALA  72  13.131   4.589  -4.987
  549    H    ARG  73           HN       ARG  73  13.802   1.647  -7.212
  550    HA   ARG  73           HA       ARG  73  11.275   0.671  -6.219
  551    HB2  ARG  73           HB2      ARG  73  11.031  -0.373  -8.429
  552    HB3  ARG  73           HB1      ARG  73  11.460   1.324  -8.559
  553    HG2  ARG  73           HG2      ARG  73  12.916   0.553 -10.084
  554    HG3  ARG  73           HG1      ARG  73  13.910   0.230  -8.662
  555    HD2  ARG  73           HD2      ARG  73  13.894  -1.725 -10.064
  556    HD3  ARG  73           HD1      ARG  73  12.988  -2.069  -8.589
  557    HE   ARG  73           HE       ARG  73  11.171  -1.185 -10.502
  558   HH11  ARG  73          HH11      ARG  73  13.365  -3.891  -9.966
  559   HH12  ARG  73          HH12      ARG  73  12.383  -5.018 -10.988
  560   HH21  ARG  73          HH21      ARG  73   9.891  -2.574 -11.750
  561   HH22  ARG  73          HH22      ARG  73  10.417  -4.288 -11.965
  562    H    GLU  74           HN       GLU  74  14.447  -0.354  -5.955
  563    HA   GLU  74           HA       GLU  74  13.761  -3.185  -5.796
  564    HB2  GLU  74           HB2      GLU  74  16.385  -1.710  -5.615
  565    HB3  GLU  74           HB1      GLU  74  16.234  -3.431  -5.289
  566    HG2  GLU  74           HG2      GLU  74  15.662  -2.022  -7.884
  567    HG3  GLU  74           HG1      GLU  74  16.999  -3.116  -7.535
  568    H    LEU  75           HN       LEU  75  14.546  -0.450  -3.793
  569    HA   LEU  75           HA       LEU  75  14.974  -1.881  -1.371
  570    HB2  LEU  75           HB2      LEU  75  15.800   0.392  -1.703
  571    HB3  LEU  75           HB1      LEU  75  14.160   0.985  -1.876
  572    HG   LEU  75           HG       LEU  75  13.739   0.266   0.495
  573   HD11  LEU  75          HD11      LEU  75  16.730  -0.092   0.504
  574   HD12  LEU  75          HD12      LEU  75  15.524  -1.354   0.733
  575   HD13  LEU  75          HD13      LEU  75  15.699  -0.076   1.932
  576   HD21  LEU  75          HD21      LEU  75  14.889   2.187   1.481
  577   HD22  LEU  75          HD22      LEU  75  14.167   2.595  -0.075
  578   HD23  LEU  75          HD23      LEU  75  15.906   2.317   0.046
  579    H    SER  76           HN       SER  76  12.164  -0.775  -3.086
  580    HA   SER  76           HA       SER  76  10.344  -0.833  -0.912
  581    HB2  SER  76           HB2      SER  76   8.994  -1.376  -3.360
  582    HB3  SER  76           HB1      SER  76   9.067   0.144  -2.466
  583    HG   SER  76           HG       SER  76  10.687   0.828  -3.721
  584    H    LYS  77           HN       LYS  77  11.950  -3.315  -2.509
  585    HA   LYS  77           HA       LYS  77   9.937  -5.302  -2.575
  586    HB2  LYS  77           HB2      LYS  77  12.174  -5.323  -3.785
  587    HB3  LYS  77           HB1      LYS  77  12.886  -5.821  -2.257
  588    HG2  LYS  77           HG2      LYS  77  11.356  -7.771  -2.241
  589    HG3  LYS  77           HG1      LYS  77  10.804  -7.295  -3.846
  590    HD2  LYS  77           HD2      LYS  77  13.046  -7.570  -4.730
  591    HD3  LYS  77           HD1      LYS  77  13.658  -7.956  -3.121
  592    HE2  LYS  77           HE2      LYS  77  12.297  -9.958  -3.050
  593    HE3  LYS  77           HE1      LYS  77  11.580  -9.554  -4.612
  594    HZ1  LYS  77           HZ1      LYS  77  13.850  -9.698  -5.564
  595    HZ2  LYS  77           HZ2      LYS  77  13.280 -11.165  -4.958
  596    HZ3  LYS  77           HZ3      LYS  77  14.411 -10.271  -4.076
  597    H    THR  78           HN       THR  78  11.690  -3.919   0.029
  598    HA   THR  78           HA       THR  78  11.219  -6.252   1.722
  599    HB   THR  78           HB       THR  78  13.393  -4.996   1.893
  600    HG1  THR  78           HG1      THR  78  11.677  -5.353   4.130
  601   HG21  THR  78          HG21      THR  78  12.497  -2.711   1.688
  602   HG22  THR  78          HG22      THR  78  13.433  -2.914   3.169
  603   HG23  THR  78          HG23      THR  78  11.672  -2.905   3.236
  604    H    PHE  79           HN       PHE  79   9.402  -3.787   0.639
  605    HA   PHE  79           HA       PHE  79   8.020  -3.351   3.190
  606    HB2  PHE  79           HB2      PHE  79   7.748  -1.901   0.549
  607    HB3  PHE  79           HB1      PHE  79   6.821  -1.534   1.997
  608    HD1  PHE  79           HD1      PHE  79   9.077  -1.861   4.003
  609    HD2  PHE  79           HD2      PHE  79   8.857   0.141   0.256
  610    HE1  PHE  79           HE1      PHE  79  10.836  -0.309   4.735
  611    HE2  PHE  79           HE2      PHE  79  10.618   1.697   0.982
  612    HZ   PHE  79           HZ       PHE  79  11.611   1.472   3.220
  613    H    ILE  80           HN       ILE  80   7.734  -4.867   0.092
  614    HA   ILE  80           HA       ILE  80   4.899  -5.164   0.136
  615    HB   ILE  80           HB       ILE  80   5.902  -5.300  -2.009
  616   HG12  ILE  80          HG12      ILE  80   5.091  -8.093  -1.170
  617   HG13  ILE  80          HG11      ILE  80   3.994  -6.808  -1.664
  618   HG21  ILE  80          HG21      ILE  80   8.142  -5.889  -1.514
  619   HG22  ILE  80          HG22      ILE  80   7.510  -7.134  -2.593
  620   HG23  ILE  80          HG23      ILE  80   7.658  -7.456  -0.864
  621   HD11  ILE  80          HD11      ILE  80   4.313  -8.368  -3.465
  622   HD12  ILE  80          HD12      ILE  80   6.061  -8.156  -3.384
  623   HD13  ILE  80          HD13      ILE  80   5.033  -6.816  -3.891
  624    H    ILE  81           HN       ILE  81   3.850  -6.331   1.555
  625    HA   ILE  81           HA       ILE  81   5.131  -8.750   2.629
  626    HB   ILE  81           HB       ILE  81   3.636  -8.613   4.537
  627   HG12  ILE  81          HG12      ILE  81   1.817  -7.396   3.105
  628   HG13  ILE  81          HG11      ILE  81   1.927  -7.069   4.828
  629   HG21  ILE  81          HG21      ILE  81   5.075  -6.019   3.982
  630   HG22  ILE  81          HG22      ILE  81   5.744  -7.471   4.729
  631   HG23  ILE  81          HG23      ILE  81   4.503  -6.540   5.568
  632   HD11  ILE  81          HD11      ILE  81   3.338  -5.052   4.191
  633   HD12  ILE  81          HD12      ILE  81   1.621  -4.988   3.804
  634   HD13  ILE  81          HD13      ILE  81   2.794  -5.339   2.538
  635    H    GLY  82           HN       GLY  82   2.987  -7.836   0.329
  636    HA2  GLY  82           HA2      GLY  82   2.103 -10.340  -0.315
  637    HA3  GLY  82           HA1      GLY  82   0.893  -9.720   0.794
  638    H    GLU  83           HN       GLU  83  -0.345 -10.168  -1.243
  639    HA   GLU  83           HA       GLU  83  -0.531  -7.691  -2.804
  640    HB2  GLU  83           HB2      GLU  83  -0.497 -10.515  -3.872
  641    HB3  GLU  83           HB1      GLU  83  -1.161  -9.169  -4.785
  642    HG2  GLU  83           HG2      GLU  83   1.021  -8.051  -4.700
  643    HG3  GLU  83           HG1      GLU  83   1.680  -9.433  -3.826
  644    H    LEU  84           HN       LEU  84  -2.712  -8.104  -4.258
  645    HA   LEU  84           HA       LEU  84  -4.782  -8.494  -2.232
  646    HB2  LEU  84           HB2      LEU  84  -4.756  -7.180  -4.938
  647    HB3  LEU  84           HB1      LEU  84  -6.258  -7.539  -4.114
  648    HG   LEU  84           HG       LEU  84  -5.854  -5.288  -3.639
  649   HD11  LEU  84          HD11      LEU  84  -5.524  -5.181  -1.279
  650   HD12  LEU  84          HD12      LEU  84  -4.664  -6.718  -1.277
  651   HD13  LEU  84          HD13      LEU  84  -6.388  -6.671  -1.650
  652   HD21  LEU  84          HD21      LEU  84  -3.569  -5.144  -4.445
  653   HD22  LEU  84          HD22      LEU  84  -2.993  -6.012  -3.024
  654   HD23  LEU  84          HD23      LEU  84  -3.706  -4.411  -2.848
  655    H    HIS  85           HN       HIS  85  -6.826  -9.545  -2.935
  656    HA   HIS  85           HA       HIS  85  -6.309 -12.160  -3.922
  657    HB2  HIS  85           HB2      HIS  85  -8.942 -10.729  -3.477
  658    HB3  HIS  85           HB1      HIS  85  -8.785 -12.440  -3.835
  659    HD1  HIS  85           HD1      HIS  85  -9.745 -10.695  -1.149
  660    HD2  HIS  85           HD2      HIS  85  -6.531 -13.284  -1.659
  661    HE1  HIS  85           HE1      HIS  85  -9.162 -11.522   1.159
  662    HE2  HIS  85           HE2      HIS  85  -7.144 -12.989   0.839
  663    HA   PRO  86           HA       PRO  86  -6.813 -11.664  -8.300
  664    HB2  PRO  86           HB2      PRO  86  -8.345 -13.899  -8.876
  665    HB3  PRO  86           HB1      PRO  86  -6.587 -13.904  -8.697
  666    HG2  PRO  86           HG2      PRO  86  -8.672 -14.708  -6.734
  667    HG3  PRO  86           HG1      PRO  86  -7.075 -15.420  -7.041
  668    HD2  PRO  86           HD2      PRO  86  -7.536 -13.839  -4.917
  669    HD3  PRO  86           HD1      PRO  86  -5.976 -13.850  -5.763
  670    H    ASP  87           HN       ASP  87  -9.614 -12.430  -6.337
  671    HA   ASP  87           HA       ASP  87 -11.596 -11.588  -8.189
  672    HB2  ASP  87           HB2      ASP  87 -11.843 -11.664  -5.178
  673    HB3  ASP  87           HB1      ASP  87 -13.143 -11.774  -6.356
  674    H    ASP  88           HN       ASP  88  -9.698 -10.001  -5.737
  675    HA   ASP  88           HA       ASP  88 -11.246  -7.556  -5.801
  676    HB2  ASP  88           HB2      ASP  88  -8.623  -8.233  -4.438
  677    HB3  ASP  88           HB1      ASP  88  -9.467  -6.700  -4.263
  678    H    ARG  89           HN       ARG  89  -9.176  -8.879  -7.932
  679    HA   ARG  89           HA       ARG  89  -8.161  -6.249  -8.767
  680    HB2  ARG  89           HB2      ARG  89  -6.749  -8.902  -8.748
  681    HB3  ARG  89           HB1      ARG  89  -6.235  -7.594  -9.805
  682    HG2  ARG  89           HG2      ARG  89  -6.095  -6.159  -7.710
  683    HG3  ARG  89           HG1      ARG  89  -6.242  -7.667  -6.805
  684    HD2  ARG  89           HD2      ARG  89  -4.217  -7.556  -8.972
  685    HD3  ARG  89           HD1      ARG  89  -3.888  -6.635  -7.505
  686    HE   ARG  89           HE       ARG  89  -4.683  -9.238  -6.796
  687   HH11  ARG  89          HH11      ARG  89  -1.997  -7.534  -8.309
  688   HH12  ARG  89          HH12      ARG  89  -0.774  -8.743  -7.748
  689   HH21  ARG  89          HH21      ARG  89  -3.135 -10.772  -6.064
  690   HH22  ARG  89          HH22      ARG  89  -1.397 -10.521  -6.519
  691    H    SER  90           HN       SER  90  -8.429  -9.538 -10.135
  692    HA   SER  90           HA       SER  90  -9.308  -8.319 -12.654
  693    HB2  SER  90           HB2      SER  90  -8.812 -10.875 -13.329
  694    HB3  SER  90           HB1      SER  90  -7.556  -9.638 -13.293
  695    HG   SER  90           HG       SER  90  -8.110 -11.678 -11.428
  696    H    LYS  91           HN       LYS  91 -11.345  -8.201 -11.045
  697    HA   LYS  91           HA       LYS  91 -13.282  -9.938 -12.190
  698    HB2  LYS  91           HB2      LYS  91 -12.213 -11.349 -10.338
  699    HB3  LYS  91           HB1      LYS  91 -12.974 -10.237  -9.209
  700    HG2  LYS  91           HG2      LYS  91 -15.156 -10.844  -9.969
  701    HG3  LYS  91           HG1      LYS  91 -14.482 -11.803 -11.287
  702    HD2  LYS  91           HD2      LYS  91 -13.924 -12.390  -8.389
  703    HD3  LYS  91           HD1      LYS  91 -15.283 -13.096  -9.263
  704    HE2  LYS  91           HE2      LYS  91 -12.386 -13.352 -10.068
  705    HE3  LYS  91           HE1      LYS  91 -13.305 -14.575  -9.194
  706    HZ1  LYS  91           HZ1      LYS  91 -13.206 -15.033 -11.570
  707    HZ2  LYS  91           HZ2      LYS  91 -13.957 -13.561 -11.906
  708    HZ3  LYS  91           HZ3      LYS  91 -14.796 -14.764 -11.068
  709    H    LEU  92           HN       LEU  92 -12.967  -8.307  -9.038
  710    HA   LEU  92           HA       LEU  92 -14.000  -6.514  -8.110
  711    HB2  LEU  92           HB2      LEU  92 -14.037  -5.873 -10.986
  712    HB3  LEU  92           HB1      LEU  92 -15.212  -5.009 -10.016
  713    HG   LEU  92           HG       LEU  92 -13.163  -3.712 -10.295
  714   HD11  LEU  92          HD11      LEU  92 -12.777  -3.153  -7.983
  715   HD12  LEU  92          HD12      LEU  92 -13.466  -4.687  -7.464
  716   HD13  LEU  92          HD13      LEU  92 -14.489  -3.480  -8.240
  717   HD21  LEU  92          HD21      LEU  92 -11.814  -6.006  -8.873
  718   HD22  LEU  92          HD22      LEU  92 -11.066  -4.454  -9.255
  719   HD23  LEU  92          HD23      LEU  92 -11.573  -5.534 -10.555
  720    H    SER  93           HN       SER  93 -15.528  -9.044  -8.950
  721    HA   SER  93           HA       SER  93 -18.245  -8.036  -9.103
  722    HB2  SER  93           HB2      SER  93 -17.439 -10.924  -8.785
  723    HB3  SER  93           HB1      SER  93 -18.906 -10.271  -9.511
  724    HG   SER  93           HG       SER  93 -17.666 -10.766 -11.216
  725    H    LYS  94           HN       LYS  94 -17.917  -6.923  -6.981
  726    HA   LYS  94           HA       LYS  94 -18.855  -8.672  -4.837
  727    HB2  LYS  94           HB2      LYS  94 -16.428  -6.894  -4.720
  728    HB3  LYS  94           HB1      LYS  94 -17.308  -7.339  -3.265
  729    HG2  LYS  94           HG2      LYS  94 -16.800  -9.632  -3.543
  730    HG3  LYS  94           HG1      LYS  94 -16.230  -9.373  -5.193
  731    HD2  LYS  94           HD2      LYS  94 -14.329  -9.674  -3.738
  732    HD3  LYS  94           HD1      LYS  94 -14.376  -8.000  -4.286
  733    HE2  LYS  94           HE2      LYS  94 -15.177  -7.238  -2.196
  734    HE3  LYS  94           HE1      LYS  94 -15.557  -8.873  -1.665
  735    HZ1  LYS  94           HZ1      LYS  94 -13.401  -7.680  -0.845
  736    HZ2  LYS  94           HZ2      LYS  94 -12.771  -8.220  -2.329
  737    HZ3  LYS  94           HZ3      LYS  94 -13.384  -9.335  -1.210
  738    HA   PRO  95           HA       PRO  95 -21.750  -5.393  -4.213
  739    HB2  PRO  95           HB2      PRO  95 -22.312  -5.772  -1.566
  740    HB3  PRO  95           HB1      PRO  95 -22.954  -6.796  -2.859
  741    HG2  PRO  95           HG2      PRO  95 -20.637  -7.290  -1.045
  742    HG3  PRO  95           HG1      PRO  95 -21.898  -8.414  -1.590
  743    HD2  PRO  95           HD2      PRO  95 -19.439  -8.405  -2.680
  744    HD3  PRO  95           HD1      PRO  95 -20.893  -8.766  -3.634
  745    H    MET  96           HN       MET  96 -22.057  -3.384  -3.085
  746    HA   MET  96           HA       MET  96 -19.541  -2.354  -1.962
  747    HB2  MET  96           HB2      MET  96 -20.361  -1.288  -4.056
  748    HB3  MET  96           HB1      MET  96 -21.821  -0.807  -3.207
  749    HG2  MET  96           HG2      MET  96 -20.239   1.030  -3.381
  750    HG3  MET  96           HG1      MET  96 -20.525   0.578  -1.703
  751    HE1  MET  96           HE1      MET  96 -18.075   0.272  -4.747
  752    HE2  MET  96           HE2      MET  96 -18.274  -1.411  -4.261
  753    HE3  MET  96           HE3      MET  96 -16.720  -0.605  -4.036
  754    H    GLU  97           HN       GLU  97 -22.918  -1.287  -1.732
  755    HA   GLU  97           HA       GLU  97 -24.229  -0.652  -0.004
  756    HB2  GLU  97           HB2      GLU  97 -23.879  -3.039   0.679
  757    HB3  GLU  97           HB1      GLU  97 -22.563  -2.497   1.710
  758    HG2  GLU  97           HG2      GLU  97 -24.224  -1.001   2.860
  759    HG3  GLU  97           HG1      GLU  97 -25.485  -1.835   1.956
  760    H    THR  98           HN       THR  98 -23.557   1.485   0.017
  761    HA   THR  98           HA       THR  98 -22.086   2.245   2.398
  762    HB   THR  98           HB       THR  98 -20.418   2.000   0.489
  763    HG1  THR  98           HG1      THR  98 -19.805   3.230   2.231
  764   HG21  THR  98          HG21      THR  98 -21.911   4.428  -0.505
  765   HG22  THR  98          HG22      THR  98 -21.704   2.887  -1.339
  766   HG23  THR  98          HG23      THR  98 -20.314   3.942  -1.071
  767    H    LEU  99           HN       LEU  99 -22.118   4.668   2.667
  768    HA   LEU  99           HA       LEU  99 -23.346   6.538   3.037
  769    HB2  LEU  99           HB2      LEU  99 -24.092   6.095   0.149
  770    HB3  LEU  99           HB1      LEU  99 -24.360   7.582   1.040
  771    HG   LEU  99           HG       LEU  99 -21.622   6.397   0.603
  772   HD11  LEU  99          HD11      LEU  99 -22.645   6.921  -1.549
  773   HD12  LEU  99          HD12      LEU  99 -21.345   8.046  -1.167
  774   HD13  LEU  99          HD13      LEU  99 -23.024   8.546  -0.976
  775   HD21  LEU  99          HD21      LEU  99 -21.741   7.912   2.482
  776   HD22  LEU  99          HD22      LEU  99 -22.576   9.113   1.499
  777   HD23  LEU  99          HD23      LEU  99 -20.900   8.698   1.144
  778    H    ILE 100           HN       ILE 100 -24.634   4.821   4.347
  779    HA   ILE 100           HA       ILE 100 -27.455   5.039   3.532
  780    HB   ILE 100           HB       ILE 100 -27.819   2.921   4.884
  781   HG12  ILE 100          HG12      ILE 100 -24.828   2.642   4.490
  782   HG13  ILE 100          HG11      ILE 100 -25.610   2.972   6.032
  783   HG21  ILE 100          HG21      ILE 100 -26.205   2.797   2.342
  784   HG22  ILE 100          HG22      ILE 100 -27.960   2.923   2.478
  785   HG23  ILE 100          HG23      ILE 100 -27.139   1.455   3.012
  786   HD11  ILE 100          HD11      ILE 100 -25.012   0.632   5.835
  787   HD12  ILE 100          HD12      ILE 100 -25.968   0.497   4.359
  788   HD13  ILE 100          HD13      ILE 100 -26.767   0.823   5.898
  789    H    THR 101           HN       THR 101 -25.523   6.563   5.393
  790    HA   THR 101           HA       THR 101 -27.405   6.698   7.634
  791    HB   THR 101           HB       THR 101 -24.747   7.266   8.579
  792    HG1  THR 101           HG1      THR 101 -24.955   4.544   7.951
  793   HG21  THR 101          HG21      THR 101 -25.335   5.569  10.244
  794   HG22  THR 101          HG22      THR 101 -26.708   5.074   9.259
  795   HG23  THR 101          HG23      THR 101 -26.677   6.680   9.980
  796    H    THR 102           HN       THR 102 -27.976   8.723   8.174
  797    HA   THR 102           HA       THR 102 -26.924  10.914   6.622
  798    HB   THR 102           HB       THR 102 -28.638  12.068   8.405
  799    HG1  THR 102           HG1      THR 102 -30.166   9.862   7.889
  800   HG21  THR 102          HG21      THR 102 -28.712  12.218   5.940
  801   HG22  THR 102          HG22      THR 102 -30.307  11.935   6.640
  802   HG23  THR 102          HG23      THR 102 -29.429  10.607   5.881
  803    H    VAL 103           HN       VAL 103 -24.781  11.060   7.411
  804    HA   VAL 103           HA       VAL 103 -24.484  11.944  10.201
  805    HB   VAL 103           HB       VAL 103 -22.022  11.625   9.787
  806   HG11  VAL 103          HG11      VAL 103 -23.785   9.201   9.415
  807   HG12  VAL 103          HG12      VAL 103 -23.322   9.931  10.952
  808   HG13  VAL 103          HG13      VAL 103 -22.098   9.171   9.935
  809   HG21  VAL 103          HG21      VAL 103 -21.324  10.300   7.849
  810   HG22  VAL 103          HG22      VAL 103 -22.057  11.824   7.349
  811   HG23  VAL 103          HG23      VAL 103 -22.977  10.325   7.233
  812    H    ASP 104           HN       ASP 104 -25.403  13.467   7.727
  813    HA   ASP 104           HA       ASP 104 -23.427  15.646   7.833
  814    HB2  ASP 104           HB2      ASP 104 -24.212  16.322   5.627
  815    HB3  ASP 104           HB1      ASP 104 -23.725  14.630   5.587
  816    HHB  HEM 400           HB       HEM 400  11.711   4.971  -1.975
  817    HHC  HEM 400           HC       HEM 400   5.428   5.163  -2.739
  818    HHD  HEM 400           HD       HEM 400   5.867  11.103  -4.874
  819    HMA  HEM 400          HMA1      HEM 400  14.082   5.468  -2.978
  820   HMAA  HEM 400          HMA2      HEM 400  13.865   6.061  -1.333
  821   HMAB  HEM 400          HMA3      HEM 400  14.969   6.890  -2.432
  822    HAA  HEM 400          HAA1      HEM 400  15.021   8.928  -2.889
  823   HAAA  HEM 400          HAA2      HEM 400  14.081  10.274  -3.510
  824    HBA  HEM 400          HBA1      HEM 400  14.438   9.699  -5.702
  825   HBAA  HEM 400          HBA2      HEM 400  14.511   7.973  -5.348
  826    HMB  HEM 400          HMB1      HEM 400  10.308   2.339  -2.122
  827   HMBA  HEM 400          HMB2      HEM 400   9.348   2.400  -0.641
  828   HMBB  HEM 400          HMB3      HEM 400  10.818   3.361  -0.794
  829    HAB  HEM 400           HAB      HEM 400   7.075   2.099  -1.983
  830    HBB  HEM 400          HBB1      HEM 400   5.385   4.371  -0.662
  831   HBBA  HEM 400          HBB2      HEM 400   4.997   2.491  -0.779
  832    HMC  HEM 400          HMC1      HEM 400   2.485   7.297  -3.872
  833   HMCA  HEM 400          HMC2      HEM 400   3.214   6.434  -2.512
  834   HMCB  HEM 400          HMC3      HEM 400   3.403   5.831  -4.160
  835    HAC  HEM 400           HAC      HEM 400   3.661  10.267  -5.370
  836    HBC  HEM 400          HBC1      HEM 400   2.208   9.151  -2.837
  837   HBCA  HEM 400          HBC2      HEM 400   1.578  10.435  -4.117
  838    HMD  HEM 400          HMD1      HEM 400   6.635  12.821  -5.744
  839   HMDA  HEM 400          HMD2      HEM 400   8.111  13.592  -6.332
  840   HMDB  HEM 400          HMD3      HEM 400   7.562  13.854  -4.675
  841    HAD  HEM 400          HAD1      HEM 400  10.261  13.912  -5.232
  842   HADA  HEM 400          HAD2      HEM 400  11.569  12.937  -4.583
  843    HBD  HEM 400          HBD1      HEM 400  10.924  13.542  -7.347
  844   HBDA  HEM 400          HBD2      HEM 400  11.033  11.803  -7.085
  845    HHA  HEM 400           HA       HEM 400  12.174  10.808  -4.375
  Start of MODEL   16
    1    H1   MET   1           HT1      MET   1  21.812 -13.698  15.876
    2    H2   MET   1           HT2      MET   1  22.904 -13.227  17.083
    3    H3   MET   1           HT3      MET   1  22.106 -12.060  16.161
    4    HA   MET   1           HA       MET   1  20.732 -13.980  17.928
    5    HB2  MET   1           HB2      MET   1  22.229 -12.429  19.195
    6    HB3  MET   1           HB1      MET   1  21.344 -11.076  18.506
    7    HG2  MET   1           HG2      MET   1  19.266 -12.209  19.518
    8    HG3  MET   1           HG1      MET   1  20.427 -13.111  20.492
    9    HE1  MET   1           HE1      MET   1  22.189 -10.329  22.562
   10    HE2  MET   1           HE2      MET   1  22.746 -11.086  21.070
   11    HE3  MET   1           HE3      MET   1  21.983 -12.061  22.324
   12    H    ALA   2           HN       ALA   2  20.331 -10.579  16.936
   13    HA   ALA   2           HA       ALA   2  17.544 -11.210  16.290
   14    HB1  ALA   2           HB1      ALA   2  17.915  -9.421  17.913
   15    HB2  ALA   2           HB2      ALA   2  17.138  -8.813  16.448
   16    HB3  ALA   2           HB3      ALA   2  18.861  -8.530  16.717
   17    H    ALA   3           HN       ALA   3  18.431 -12.253  14.298
   18    HA   ALA   3           HA       ALA   3  18.472 -10.276  12.136
   19    HB1  ALA   3           HB1      ALA   3  20.809 -10.928  12.594
   20    HB2  ALA   3           HB2      ALA   3  20.272 -11.407  10.983
   21    HB3  ALA   3           HB3      ALA   3  20.382 -12.609  12.270
   22    H    GLN   4           HN       GLN   4  17.082 -10.770  10.566
   23    HA   GLN   4           HA       GLN   4  16.481 -13.509   9.894
   24    HB2  GLN   4           HB2      GLN   4  13.975 -13.083  10.174
   25    HB3  GLN   4           HB1      GLN   4  14.899 -13.394  11.636
   26    HG2  GLN   4           HG2      GLN   4  14.976 -10.993  12.091
   27    HG3  GLN   4           HG1      GLN   4  14.034 -10.692  10.632
   28   HE21  GLN   4          HE21      GLN   4  12.406  -9.704  11.844
   29   HE22  GLN   4          HE22      GLN   4  11.301 -10.626  12.804
   30    H    SER   5           HN       SER   5  15.292 -13.694   7.927
   31    HA   SER   5           HA       SER   5  14.705 -11.259   6.464
   32    HB2  SER   5           HB2      SER   5  16.718 -13.264   5.410
   33    HB3  SER   5           HB1      SER   5  16.139 -11.824   4.566
   34    HG   SER   5           HG       SER   5  16.990 -10.989   6.895
   35    H    ASP   6           HN       ASP   6  12.582 -12.170   6.720
   36    HA   ASP   6           HA       ASP   6  12.071 -14.456   4.940
   37    HB2  ASP   6           HB2      ASP   6  10.542 -13.476   7.355
   38    HB3  ASP   6           HB1      ASP   6   9.878 -14.639   6.214
   39    H    LYS   7           HN       LYS   7  11.213 -13.899   3.050
   40    HA   LYS   7           HA       LYS   7   9.579 -11.460   2.951
   41    HB2  LYS   7           HB2      LYS   7  11.554 -12.618   1.104
   42    HB3  LYS   7           HB1      LYS   7  10.086 -12.041   0.328
   43    HG2  LYS   7           HG2      LYS   7  11.932 -10.436   2.086
   44    HG3  LYS   7           HG1      LYS   7  11.749 -10.297   0.336
   45    HD2  LYS   7           HD2      LYS   7  10.093  -8.841   0.620
   46    HD3  LYS   7           HD1      LYS   7   9.175 -10.053   1.517
   47    HE2  LYS   7           HE2      LYS   7  10.536  -9.395   3.544
   48    HE3  LYS   7           HE1      LYS   7  11.127  -8.031   2.601
   49    HZ1  LYS   7           HZ1      LYS   7   8.566  -8.423   3.859
   50    HZ2  LYS   7           HZ2      LYS   7   8.456  -7.850   2.273
   51    HZ3  LYS   7           HZ3      LYS   7   9.350  -6.988   3.427
   52    H    ASP   8           HN       ASP   8   7.748 -12.554   3.696
   53    HA   ASP   8           HA       ASP   8   6.616 -14.606   1.946
   54    HB2  ASP   8           HB2      ASP   8   6.457 -15.350   4.148
   55    HB3  ASP   8           HB1      ASP   8   6.120 -13.741   4.775
   56    H    VAL   9           HN       VAL   9   4.831 -14.269   0.744
   57    HA   VAL   9           HA       VAL   9   3.700 -11.560   0.799
   58    HB   VAL   9           HB       VAL   9   4.686 -11.932  -1.334
   59   HG11  VAL   9          HG11      VAL   9   3.171 -14.534  -1.475
   60   HG12  VAL   9          HG12      VAL   9   4.911 -14.350  -1.259
   61   HG13  VAL   9          HG13      VAL   9   4.151 -13.845  -2.769
   62   HG21  VAL   9          HG21      VAL   9   2.653 -10.787  -1.603
   63   HG22  VAL   9          HG22      VAL   9   1.702 -12.255  -1.385
   64   HG23  VAL   9          HG23      VAL   9   2.654 -12.029  -2.854
   65    H    LYS  10           HN       LYS  10   1.862 -11.485   1.865
   66    HA   LYS  10           HA       LYS  10   0.064 -13.803   1.801
   67    HB2  LYS  10           HB2      LYS  10   0.901 -12.817   3.991
   68    HB3  LYS  10           HB1      LYS  10  -0.110 -11.425   3.636
   69    HG2  LYS  10           HG2      LYS  10  -2.074 -12.928   3.551
   70    HG3  LYS  10           HG1      LYS  10  -1.024 -14.260   4.038
   71    HD2  LYS  10           HD2      LYS  10  -1.421 -11.727   5.626
   72    HD3  LYS  10           HD1      LYS  10  -2.287 -13.234   5.921
   73    HE2  LYS  10           HE2      LYS  10   0.704 -12.856   6.064
   74    HE3  LYS  10           HE1      LYS  10  -0.386 -12.968   7.443
   75    HZ1  LYS  10           HZ1      LYS  10   0.042 -15.115   5.439
   76    HZ2  LYS  10           HZ2      LYS  10  -0.928 -15.217   6.817
   77    HZ3  LYS  10           HZ3      LYS  10   0.750 -15.064   6.974
   78    H    TYR  11           HN       TYR  11  -1.919 -13.687   0.916
   79    HA   TYR  11           HA       TYR  11  -2.570 -11.354  -0.648
   80    HB2  TYR  11           HB2      TYR  11  -3.800 -14.080  -0.320
   81    HB3  TYR  11           HB1      TYR  11  -4.643 -12.809  -1.198
   82    HD1  TYR  11           HD2      TYR  11  -1.126 -14.103  -1.097
   83    HD2  TYR  11           HD1      TYR  11  -4.482 -13.039  -3.484
   84    HE1  TYR  11           HE2      TYR  11   0.135 -14.695  -3.122
   85    HE2  TYR  11           HE1      TYR  11  -3.230 -13.627  -5.514
   86    HH   TYR  11           HH       TYR  11   0.079 -14.921  -5.326
   87    H    TYR  12           HN       TYR  12  -3.145  -9.700   0.676
   88    HA   TYR  12           HA       TYR  12  -5.035 -10.085   2.825
   89    HB2  TYR  12           HB2      TYR  12  -3.651  -7.649   1.708
   90    HB3  TYR  12           HB1      TYR  12  -4.841  -7.553   2.996
   91    HD1  TYR  12           HD2      TYR  12  -4.345  -8.577   5.206
   92    HD2  TYR  12           HD1      TYR  12  -1.411  -8.345   2.131
   93    HE1  TYR  12           HE2      TYR  12  -2.579  -8.948   6.874
   94    HE2  TYR  12           HE1      TYR  12   0.364  -8.717   3.794
   95    HH   TYR  12           HH       TYR  12  -0.326  -9.693   7.029
   96    H    THR  13           HN       THR  13  -7.059  -8.950   2.967
   97    HA   THR  13           HA       THR  13  -8.486  -8.941   0.453
   98    HB   THR  13           HB       THR  13 -10.218  -8.094   2.495
   99    HG1  THR  13           HG1      THR  13  -9.621  -9.122   4.277
  100   HG21  THR  13          HG21      THR  13 -11.212 -10.289   2.208
  101   HG22  THR  13          HG22      THR  13  -9.726 -10.897   1.478
  102   HG23  THR  13          HG23      THR  13 -10.684  -9.674   0.642
  103    H    LEU  14           HN       LEU  14  -9.628  -7.173  -0.383
  104    HA   LEU  14           HA       LEU  14  -8.352  -4.684  -0.285
  105    HB2  LEU  14           HB2      LEU  14  -9.652  -5.367  -2.200
  106    HB3  LEU  14           HB1      LEU  14 -11.111  -5.460  -1.234
  107    HG   LEU  14           HG       LEU  14 -10.813  -2.936  -0.851
  108   HD11  LEU  14          HD11      LEU  14  -9.576  -1.757  -2.588
  109   HD12  LEU  14          HD12      LEU  14  -9.012  -3.299  -3.236
  110   HD13  LEU  14          HD13      LEU  14  -8.510  -2.783  -1.625
  111   HD21  LEU  14          HD21      LEU  14 -11.926  -2.408  -2.956
  112   HD22  LEU  14          HD22      LEU  14 -12.558  -3.900  -2.264
  113   HD23  LEU  14          HD23      LEU  14 -11.432  -3.964  -3.619
  114    H    GLU  15           HN       GLU  15 -11.218  -5.901   1.350
  115    HA   GLU  15           HA       GLU  15 -11.885  -3.386   2.554
  116    HB2  GLU  15           HB2      GLU  15 -13.454  -4.872   3.926
  117    HB3  GLU  15           HB1      GLU  15 -13.710  -4.817   2.187
  118    HG2  GLU  15           HG2      GLU  15 -11.971  -6.966   3.275
  119    HG3  GLU  15           HG1      GLU  15 -13.709  -7.089   3.532
  120    H    GLU  16           HN       GLU  16  -9.308  -5.277   3.153
  121    HA   GLU  16           HA       GLU  16  -9.422  -4.811   6.061
  122    HB2  GLU  16           HB2      GLU  16  -9.138  -7.203   5.241
  123    HB3  GLU  16           HB1      GLU  16  -7.548  -6.724   4.668
  124    HG2  GLU  16           HG2      GLU  16  -7.509  -7.843   6.865
  125    HG3  GLU  16           HG1      GLU  16  -6.826  -6.218   6.891
  126    H    ILE  17           HN       ILE  17  -7.354  -4.557   3.195
  127    HA   ILE  17           HA       ILE  17  -5.130  -3.410   4.486
  128    HB   ILE  17           HB       ILE  17  -4.621  -2.450   2.173
  129   HG12  ILE  17          HG12      ILE  17  -6.914  -4.251   1.372
  130   HG13  ILE  17          HG11      ILE  17  -7.026  -2.495   1.435
  131   HG21  ILE  17          HG21      ILE  17  -4.029  -4.685   1.291
  132   HG22  ILE  17          HG22      ILE  17  -5.015  -5.412   2.557
  133   HG23  ILE  17          HG23      ILE  17  -3.590  -4.470   2.985
  134   HD11  ILE  17          HD11      ILE  17  -6.650  -3.308  -0.829
  135   HD12  ILE  17          HD12      ILE  17  -5.143  -4.062  -0.309
  136   HD13  ILE  17          HD13      ILE  17  -5.313  -2.307  -0.267
  137    H    LYS  18           HN       LYS  18  -7.995  -1.929   3.018
  138    HA   LYS  18           HA       LYS  18  -7.035   0.737   3.500
  139    HB2  LYS  18           HB2      LYS  18  -9.222   1.471   2.680
  140    HB3  LYS  18           HB1      LYS  18  -8.482   0.305   1.592
  141    HG2  LYS  18           HG2      LYS  18 -10.021  -1.331   2.076
  142    HG3  LYS  18           HG1      LYS  18 -10.405  -0.653   3.659
  143    HD2  LYS  18           HD2      LYS  18 -12.238  -0.352   2.042
  144    HD3  LYS  18           HD1      LYS  18 -11.598   1.186   2.619
  145    HE2  LYS  18           HE2      LYS  18 -10.063   0.927   0.473
  146    HE3  LYS  18           HE1      LYS  18 -11.409  -0.071  -0.072
  147    HZ1  LYS  18           HZ1      LYS  18 -11.685   2.712   0.916
  148    HZ2  LYS  18           HZ2      LYS  18 -12.894   1.760   0.218
  149    HZ3  LYS  18           HZ3      LYS  18 -11.590   2.288  -0.717
  150    H    LYS  19           HN       LYS  19  -7.934  -1.468   5.628
  151    HA   LYS  19           HA       LYS  19  -9.393   0.433   7.341
  152    HB2  LYS  19           HB2      LYS  19 -10.419  -1.865   6.746
  153    HB3  LYS  19           HB1      LYS  19  -9.203  -2.541   7.821
  154    HG2  LYS  19           HG2      LYS  19 -11.099  -2.333   9.152
  155    HG3  LYS  19           HG1      LYS  19 -10.118  -0.931   9.582
  156    HD2  LYS  19           HD2      LYS  19 -12.182   0.049   9.323
  157    HD3  LYS  19           HD1      LYS  19 -11.525   0.234   7.696
  158    HE2  LYS  19           HE2      LYS  19 -13.718  -0.566   7.393
  159    HE3  LYS  19           HE1      LYS  19 -12.676  -1.965   7.146
  160    HZ1  LYS  19           HZ1      LYS  19 -14.518  -2.594   8.512
  161    HZ2  LYS  19           HZ2      LYS  19 -14.240  -1.319   9.585
  162    HZ3  LYS  19           HZ3      LYS  19 -13.130  -2.592   9.480
  163    H    HIS  20           HN       HIS  20  -6.414  -0.222   6.699
  164    HA   HIS  20           HA       HIS  20  -5.524  -0.516   9.492
  165    HB2  HIS  20           HB2      HIS  20  -4.350  -1.375   6.886
  166    HB3  HIS  20           HB1      HIS  20  -3.251  -0.944   8.189
  167    HD1  HIS  20           HD1      HIS  20  -5.741  -3.536   7.157
  168    HD2  HIS  20           HD2      HIS  20  -3.201  -2.730  10.351
  169    HE1  HIS  20           HE1      HIS  20  -5.641  -5.657   8.497
  170    HE2  HIS  20           HE2      HIS  20  -4.083  -5.158  10.413
  171    H    ASN  21           HN       ASN  21  -5.823   1.675   6.948
  172    HA   ASN  21           HA       ASN  21  -3.506   3.266   7.365
  173    HB2  ASN  21           HB2      ASN  21  -4.957   5.034   6.143
  174    HB3  ASN  21           HB1      ASN  21  -4.486   3.584   5.266
  175   HD21  ASN  21          HD21      ASN  21  -6.241   4.002   3.854
  176   HD22  ASN  21          HD22      ASN  21  -7.857   3.578   4.307
  177    H    HIS  22           HN       HIS  22  -3.379   3.590   9.622
  178    HA   HIS  22           HA       HIS  22  -5.171   5.708  10.563
  179    HB2  HIS  22           HB2      HIS  22  -4.564   3.139  12.016
  180    HB3  HIS  22           HB1      HIS  22  -5.142   4.579  12.852
  181    HD1  HIS  22           HD1      HIS  22  -6.362   1.595  11.318
  182    HD2  HIS  22           HD2      HIS  22  -7.707   5.516  11.588
  183    HE1  HIS  22           HE1      HIS  22  -8.804   1.511  10.733
  184    HE2  HIS  22           HE2      HIS  22  -9.625   3.873  11.040
  185    H    SER  23           HN       SER  23  -2.374   3.838  11.813
  186    HA   SER  23           HA       SER  23  -0.841   6.303  11.940
  187    HB2  SER  23           HB2      SER  23  -0.271   5.707  14.401
  188    HB3  SER  23           HB1      SER  23  -1.798   6.524  14.069
  189    HG   SER  23           HG       SER  23  -2.266   4.812  15.397
  190    H    LYS  24           HN       LYS  24  -0.612   3.122  13.505
  191    HA   LYS  24           HA       LYS  24   2.073   2.820  12.349
  192    HB2  LYS  24           HB2      LYS  24   2.015   0.866  14.169
  193    HB3  LYS  24           HB1      LYS  24   2.431   2.524  14.582
  194    HG2  LYS  24           HG2      LYS  24   0.050   2.896  15.213
  195    HG3  LYS  24           HG1      LYS  24  -0.232   1.173  14.952
  196    HD2  LYS  24           HD2      LYS  24   1.063   0.561  16.772
  197    HD3  LYS  24           HD1      LYS  24   1.961   2.079  16.774
  198    HE2  LYS  24           HE2      LYS  24  -0.143   3.235  17.458
  199    HE3  LYS  24           HE1      LYS  24  -0.903   1.651  17.616
  200    HZ1  LYS  24           HZ1      LYS  24  -0.072   2.538  19.732
  201    HZ2  LYS  24           HZ2      LYS  24   1.503   2.535  19.121
  202    HZ3  LYS  24           HZ3      LYS  24   0.670   1.077  19.321
  203    H    SER  25           HN       SER  25  -0.136   2.332  10.709
  204    HA   SER  25           HA       SER  25   0.445  -0.343   9.835
  205    HB2  SER  25           HB2      SER  25  -2.375   0.341  10.715
  206    HB3  SER  25           HB1      SER  25  -1.910  -1.117   9.839
  207    HG   SER  25           HG       SER  25  -0.341  -0.825  11.989
  208    H    THR  26           HN       THR  26   0.515   2.512   8.986
  209    HA   THR  26           HA       THR  26  -1.443   2.858   6.928
  210    HB   THR  26           HB       THR  26   1.173   4.334   7.122
  211    HG1  THR  26           HG1      THR  26   0.563   5.021   9.028
  212   HG21  THR  26          HG21      THR  26  -0.247   6.227   6.352
  213   HG22  THR  26          HG22      THR  26  -1.604   5.107   6.223
  214   HG23  THR  26          HG23      THR  26  -0.184   4.891   5.199
  215    H    TRP  27           HN       TRP  27  -1.369   1.242   5.427
  216    HA   TRP  27           HA       TRP  27   1.194   0.704   4.103
  217    HB2  TRP  27           HB2      TRP  27  -1.371  -0.901   4.068
  218    HB3  TRP  27           HB1      TRP  27   0.133  -1.356   3.275
  219    HD1  TRP  27           HD1      TRP  27   1.789  -0.308   6.059
  220    HE1  TRP  27           HE1      TRP  27   1.933  -2.022   7.963
  221    HE3  TRP  27           HE3      TRP  27  -2.043  -3.396   4.657
  222    HZ2  TRP  27           HZ2      TRP  27   0.599  -4.369   8.772
  223    HZ3  TRP  27           HZ3      TRP  27  -2.539  -5.360   6.053
  224    HH2  TRP  27           HH2      TRP  27  -1.245  -5.836   8.069
  225    H    LEU  28           HN       LEU  28   1.364   0.737   1.867
  226    HA   LEU  28           HA       LEU  28  -0.826   2.120   0.452
  227    HB2  LEU  28           HB2      LEU  28   2.139   2.481   0.342
  228    HB3  LEU  28           HB1      LEU  28   1.198   2.777  -1.106
  229    HG   LEU  28           HG       LEU  28  -0.102   4.176   0.961
  230   HD11  LEU  28          HD11      LEU  28   1.932   3.965   2.294
  231   HD12  LEU  28          HD12      LEU  28   1.660   5.634   1.800
  232   HD13  LEU  28          HD13      LEU  28   2.874   4.657   0.975
  233   HD21  LEU  28          HD21      LEU  28   0.635   6.147  -0.351
  234   HD22  LEU  28          HD22      LEU  28  -0.066   4.869  -1.344
  235   HD23  LEU  28          HD23      LEU  28   1.683   5.086  -1.290
  236    H    ILE  29           HN       ILE  29  -1.104   1.536  -1.799
  237    HA   ILE  29           HA       ILE  29  -0.070  -1.163  -2.359
  238    HB   ILE  29           HB       ILE  29  -2.767   0.021  -3.015
  239   HG12  ILE  29          HG12      ILE  29  -3.352  -2.330  -1.968
  240   HG13  ILE  29          HG11      ILE  29  -1.746  -2.184  -1.268
  241   HG21  ILE  29          HG21      ILE  29  -1.945  -1.122  -5.010
  242   HG22  ILE  29          HG22      ILE  29  -3.262  -2.027  -4.264
  243   HG23  ILE  29          HG23      ILE  29  -1.597  -2.561  -4.050
  244   HD11  ILE  29          HD11      ILE  29  -3.359  -1.400   0.308
  245   HD12  ILE  29          HD12      ILE  29  -4.068  -0.310  -0.885
  246   HD13  ILE  29          HD13      ILE  29  -2.436  -0.017  -0.278
  247    H    LEU  30           HN       LEU  30   1.185  -1.349  -4.035
  248    HA   LEU  30           HA       LEU  30   0.894   0.506  -6.302
  249    HB2  LEU  30           HB2      LEU  30   3.520  -0.459  -5.151
  250    HB3  LEU  30           HB1      LEU  30   3.329   0.568  -6.558
  251    HG   LEU  30           HG       LEU  30   2.468   1.385  -3.788
  252   HD11  LEU  30          HD11      LEU  30   4.512   2.700  -3.696
  253   HD12  LEU  30          HD12      LEU  30   5.028   2.027  -5.241
  254   HD13  LEU  30          HD13      LEU  30   4.877   0.980  -3.830
  255   HD21  LEU  30          HD21      LEU  30   2.891   2.917  -6.351
  256   HD22  LEU  30          HD22      LEU  30   2.531   3.642  -4.784
  257   HD23  LEU  30          HD23      LEU  30   1.349   2.590  -5.562
  258    H    HIS  31           HN       HIS  31   0.635  -0.542  -8.155
  259    HA   HIS  31           HA       HIS  31   0.529  -2.191  -9.709
  260    HB2  HIS  31           HB2      HIS  31   2.982  -3.108  -8.211
  261    HB3  HIS  31           HB1      HIS  31   2.344  -4.010  -9.579
  262    HD1  HIS  31           HD1      HIS  31   2.238  -2.591 -11.896
  263    HD2  HIS  31           HD2      HIS  31   4.665  -1.087  -8.876
  264    HE1  HIS  31           HE1      HIS  31   3.783  -0.962 -13.021
  265    HE2  HIS  31           HE2      HIS  31   5.391  -0.247 -11.217
  266    H    HIS  32           HN       HIS  32  -1.051  -2.300  -7.374
  267    HA   HIS  32           HA       HIS  32  -2.585  -3.616  -6.368
  268    HB2  HIS  32           HB2      HIS  32  -1.661  -5.660  -8.397
  269    HB3  HIS  32           HB1      HIS  32  -3.039  -5.887  -7.326
  270    HD1  HIS  32           HD1      HIS  32  -2.389  -4.996 -10.652
  271    HD2  HIS  32           HD2      HIS  32  -4.869  -3.423  -7.714
  272    HE1  HIS  32           HE1      HIS  32  -4.141  -3.680 -11.884
  273    HE2  HIS  32           HE2      HIS  32  -5.486  -2.560 -10.071
  274    H    LYS  33           HN       LYS  33   0.346  -3.634  -5.606
  275    HA   LYS  33           HA       LYS  33   0.276  -6.058  -3.936
  276    HB2  LYS  33           HB2      LYS  33   2.641  -4.449  -4.908
  277    HB3  LYS  33           HB1      LYS  33   2.747  -5.771  -3.754
  278    HG2  LYS  33           HG2      LYS  33   2.608  -7.335  -5.345
  279    HG3  LYS  33           HG1      LYS  33   1.350  -6.469  -6.228
  280    HD2  LYS  33           HD2      LYS  33   2.977  -5.048  -7.270
  281    HD3  LYS  33           HD1      LYS  33   4.263  -5.701  -6.257
  282    HE2  LYS  33           HE2      LYS  33   2.663  -7.325  -8.231
  283    HE3  LYS  33           HE1      LYS  33   4.227  -6.595  -8.586
  284    HZ1  LYS  33           HZ1      LYS  33   4.495  -8.892  -7.961
  285    HZ2  LYS  33           HZ2      LYS  33   3.685  -8.637  -6.504
  286    HZ3  LYS  33           HZ3      LYS  33   5.183  -7.904  -6.774
  287    H    VAL  34           HN       VAL  34   0.838  -5.853  -1.731
  288    HA   VAL  34           HA       VAL  34   0.238  -3.196  -0.663
  289    HB   VAL  34           HB       VAL  34   0.445  -5.808   0.844
  290   HG11  VAL  34          HG11      VAL  34  -0.843  -4.636   2.567
  291   HG12  VAL  34          HG12      VAL  34  -0.827  -3.172   1.587
  292   HG13  VAL  34          HG13      VAL  34   0.680  -3.809   2.240
  293   HG21  VAL  34          HG21      VAL  34  -1.301  -5.960  -0.852
  294   HG22  VAL  34          HG22      VAL  34  -2.002  -4.446  -0.279
  295   HG23  VAL  34          HG23      VAL  34  -2.001  -5.868   0.764
  296    H    TYR  35           HN       TYR  35   1.786  -1.912   0.043
  297    HA   TYR  35           HA       TYR  35   4.346  -3.111   0.883
  298    HB2  TYR  35           HB2      TYR  35   3.785  -0.461  -0.463
  299    HB3  TYR  35           HB1      TYR  35   5.345  -0.890   0.229
  300    HD1  TYR  35           HD2      TYR  35   6.712  -2.656  -0.798
  301    HD2  TYR  35           HD1      TYR  35   3.056  -1.389  -2.569
  302    HE1  TYR  35           HE2      TYR  35   7.363  -3.736  -2.906
  303    HE2  TYR  35           HE1      TYR  35   3.703  -2.472  -4.681
  304    HH   TYR  35           HH       TYR  35   6.576  -3.224  -5.557
  305    H    ASP  36           HN       ASP  36   4.953  -2.767   2.936
  306    HA   ASP  36           HA       ASP  36   3.391  -0.874   4.539
  307    HB2  ASP  36           HB2      ASP  36   3.368  -2.995   5.569
  308    HB3  ASP  36           HB1      ASP  36   5.080  -3.264   5.258
  309    H    LEU  37           HN       LEU  37   4.198   1.019   4.893
  310    HA   LEU  37           HA       LEU  37   7.019   1.304   5.538
  311    HB2  LEU  37           HB2      LEU  37   7.303   3.238   4.085
  312    HB3  LEU  37           HB1      LEU  37   6.910   1.813   3.149
  313    HG   LEU  37           HG       LEU  37   4.733   3.723   3.907
  314   HD11  LEU  37          HD11      LEU  37   6.610   4.042   1.564
  315   HD12  LEU  37          HD12      LEU  37   6.517   5.110   2.965
  316   HD13  LEU  37          HD13      LEU  37   5.149   4.985   1.859
  317   HD21  LEU  37          HD21      LEU  37   3.837   2.943   1.732
  318   HD22  LEU  37          HD22      LEU  37   4.072   1.640   2.898
  319   HD23  LEU  37          HD23      LEU  37   5.226   1.867   1.583
  320    H    THR  38           HN       THR  38   4.555   1.262   7.011
  321    HA   THR  38           HA       THR  38   3.604   3.824   7.650
  322    HB   THR  38           HB       THR  38   2.548   1.575   8.199
  323    HG1  THR  38           HG1      THR  38   2.705   3.725  10.051
  324   HG21  THR  38          HG21      THR  38   4.359   1.797  10.611
  325   HG22  THR  38          HG22      THR  38   4.469   0.567   9.350
  326   HG23  THR  38          HG23      THR  38   3.052   0.628  10.401
  327    H    LYS  39           HN       LYS  39   6.547   2.298   8.485
  328    HA   LYS  39           HA       LYS  39   7.011   4.250  10.635
  329    HB2  LYS  39           HB2      LYS  39   8.150   1.534  10.066
  330    HB3  LYS  39           HB1      LYS  39   9.094   2.692  10.989
  331    HG2  LYS  39           HG2      LYS  39   6.306   1.824  11.725
  332    HG3  LYS  39           HG1      LYS  39   7.781   1.111  12.382
  333    HD2  LYS  39           HD2      LYS  39   8.425   3.226  13.353
  334    HD3  LYS  39           HD1      LYS  39   7.057   4.035  12.587
  335    HE2  LYS  39           HE2      LYS  39   5.573   2.445  13.879
  336    HE3  LYS  39           HE1      LYS  39   7.012   1.987  14.790
  337    HZ1  LYS  39           HZ1      LYS  39   7.267   4.278  15.487
  338    HZ2  LYS  39           HZ2      LYS  39   5.737   3.707  15.920
  339    HZ3  LYS  39           HZ3      LYS  39   5.909   4.739  14.589
  340    H    PHE  40           HN       PHE  40   7.334   4.120   7.479
  341    HA   PHE  40           HA       PHE  40   9.953   5.477   7.463
  342    HB2  PHE  40           HB2      PHE  40   9.458   3.130   6.199
  343    HB3  PHE  40           HB1      PHE  40   8.994   4.264   4.936
  344    HD1  PHE  40           HD1      PHE  40  11.765   3.408   7.248
  345    HD2  PHE  40           HD2      PHE  40  10.611   5.240   3.587
  346    HE1  PHE  40           HE1      PHE  40  14.134   3.665   6.635
  347    HE2  PHE  40           HE2      PHE  40  12.977   5.503   2.968
  348    HZ   PHE  40           HZ       PHE  40  14.744   4.715   4.489
  349    H    LEU  41           HN       LEU  41   6.817   6.081   7.409
  350    HA   LEU  41           HA       LEU  41   6.295   7.570   5.097
  351    HB2  LEU  41           HB2      LEU  41   5.253   8.056   7.888
  352    HB3  LEU  41           HB1      LEU  41   4.554   8.691   6.411
  353    HG   LEU  41           HG       LEU  41   4.735   5.752   7.076
  354   HD11  LEU  41          HD11      LEU  41   3.257   6.799   8.648
  355   HD12  LEU  41          HD12      LEU  41   2.290   5.942   7.448
  356   HD13  LEU  41          HD13      LEU  41   2.451   7.696   7.360
  357   HD21  LEU  41          HD21      LEU  41   3.330   7.266   4.880
  358   HD22  LEU  41          HD22      LEU  41   3.075   5.560   5.241
  359   HD23  LEU  41          HD23      LEU  41   4.658   6.118   4.701
  360    H    GLU  42           HN       GLU  42   7.565   8.578   8.236
  361    HA   GLU  42           HA       GLU  42   7.904  11.311   7.520
  362    HB2  GLU  42           HB2      GLU  42   9.241  11.391   9.640
  363    HB3  GLU  42           HB1      GLU  42   7.616  10.743   9.829
  364    HG2  GLU  42           HG2      GLU  42   8.709   8.441   9.586
  365    HG3  GLU  42           HG1      GLU  42  10.231   9.284   9.862
  366    H    GLU  43           HN       GLU  43   9.667   8.497   6.882
  367    HA   GLU  43           HA       GLU  43  12.205   9.893   6.494
  368    HB2  GLU  43           HB2      GLU  43  11.601   6.962   6.087
  369    HB3  GLU  43           HB1      GLU  43  13.185   7.713   6.231
  370    HG2  GLU  43           HG2      GLU  43  11.483   8.230   8.525
  371    HG3  GLU  43           HG1      GLU  43  11.768   6.512   8.249
  372    H    HIS  44           HN       HIS  44   9.477   9.488   4.774
  373    HA   HIS  44           HA       HIS  44  10.761   8.871   2.234
  374    HB2  HIS  44           HB2      HIS  44   8.612   7.795   2.736
  375    HB3  HIS  44           HB1      HIS  44   7.848   9.373   2.894
  376    HD1  HIS  44           HD1      HIS  44   7.009  10.455   0.767
  377    HD2  HIS  44           HD2      HIS  44   9.439   7.151   0.066
  378    HE1  HIS  44           HE1      HIS  44   6.856   9.979  -1.705
  379    HA   PRO  45           HA       PRO  45  11.338  13.196   1.403
  380    HB2  PRO  45           HB2      PRO  45  11.969  12.912  -1.242
  381    HB3  PRO  45           HB1      PRO  45  13.115  12.630   0.076
  382    HG2  PRO  45           HG2      PRO  45  11.548  10.651  -1.506
  383    HG3  PRO  45           HG1      PRO  45  13.224  10.560  -0.927
  384    HD2  PRO  45           HD2      PRO  45  11.204   9.261   0.304
  385    HD3  PRO  45           HD1      PRO  45  12.606   9.903   1.185
  386    H    GLY  46           HN       GLY  46   9.868  14.707   0.920
  387    HA2  GLY  46           HA2      GLY  46   8.384  15.681  -0.764
  388    HA3  GLY  46           HA1      GLY  46   7.806  14.053  -1.093
  389    H    GLY  47           HN       GLY  47   7.904  13.587   1.914
  390    HA2  GLY  47           HA2      GLY  47   6.629  14.623   3.762
  391    HA3  GLY  47           HA1      GLY  47   5.433  15.069   2.555
  392    H    GLU  48           HN       GLU  48   4.640  13.733   4.774
  393    HA   GLU  48           HA       GLU  48   4.239  10.958   3.884
  394    HB2  GLU  48           HB2      GLU  48   3.443  10.657   6.306
  395    HB3  GLU  48           HB1      GLU  48   5.165  10.888   6.036
  396    HG2  GLU  48           HG2      GLU  48   4.941  13.245   6.635
  397    HG3  GLU  48           HG1      GLU  48   3.218  13.009   6.916
  398    H    GLU  49           HN       GLU  49   2.693  13.965   4.326
  399    HA   GLU  49           HA       GLU  49   0.057  13.198   4.860
  400    HB2  GLU  49           HB2      GLU  49   0.999  15.542   4.878
  401    HB3  GLU  49           HB1      GLU  49   0.895  15.525   3.125
  402    HG2  GLU  49           HG2      GLU  49  -1.026  16.638   3.836
  403    HG3  GLU  49           HG1      GLU  49  -1.568  15.015   3.417
  404    H    VAL  50           HN       VAL  50   1.817  13.479   1.818
  405    HA   VAL  50           HA       VAL  50  -0.418  12.919   0.144
  406    HB   VAL  50           HB       VAL  50   1.332  12.498  -1.622
  407   HG11  VAL  50          HG11      VAL  50   2.003  14.846  -1.760
  408   HG12  VAL  50          HG12      VAL  50   1.519  15.083  -0.081
  409   HG13  VAL  50          HG13      VAL  50   0.307  14.685  -1.300
  410   HG21  VAL  50          HG21      VAL  50   3.647  13.141  -1.093
  411   HG22  VAL  50          HG22      VAL  50   3.138  11.715  -0.190
  412   HG23  VAL  50          HG23      VAL  50   3.211  13.284   0.609
  413    H    LEU  51           HN       LEU  51   1.472  10.973   2.138
  414    HA   LEU  51           HA       LEU  51   1.130   8.571   0.525
  415    HB2  LEU  51           HB2      LEU  51   2.410   8.918   3.237
  416    HB3  LEU  51           HB1      LEU  51   2.445   7.461   2.264
  417    HG   LEU  51           HG       LEU  51   3.738  10.087   1.515
  418   HD11  LEU  51          HD11      LEU  51   5.838   8.902   1.921
  419   HD12  LEU  51          HD12      LEU  51   4.934   7.491   2.472
  420   HD13  LEU  51          HD13      LEU  51   4.858   8.997   3.385
  421   HD21  LEU  51          HD21      LEU  51   3.765   7.385   0.171
  422   HD22  LEU  51          HD22      LEU  51   4.791   8.749  -0.277
  423   HD23  LEU  51          HD23      LEU  51   3.040   8.867  -0.455
  424    H    ARG  52           HN       ARG  52   0.122   9.876   3.675
  425    HA   ARG  52           HA       ARG  52  -1.393   7.605   4.403
  426    HB2  ARG  52           HB2      ARG  52  -2.474   9.150   6.073
  427    HB3  ARG  52           HB1      ARG  52  -0.726   9.032   6.161
  428    HG2  ARG  52           HG2      ARG  52  -1.101  11.288   6.430
  429    HG3  ARG  52           HG1      ARG  52  -0.736  11.167   4.710
  430    HD2  ARG  52           HD2      ARG  52  -2.675  12.633   5.221
  431    HD3  ARG  52           HD1      ARG  52  -3.068  11.292   4.147
  432    HE   ARG  52           HE       ARG  52  -4.294  10.289   5.872
  433   HH11  ARG  52          HH11      ARG  52  -2.874  13.378   6.823
  434   HH12  ARG  52          HH12      ARG  52  -3.947  13.530   8.272
  435   HH21  ARG  52          HH21      ARG  52  -5.657  10.461   7.670
  436   HH22  ARG  52          HH22      ARG  52  -5.517  11.909   8.737
  437    H    GLU  53           HN       GLU  53  -2.103  10.260   2.301
  438    HA   GLU  53           HA       GLU  53  -4.959   9.891   2.450
  439    HB2  GLU  53           HB2      GLU  53  -5.135  11.591   0.777
  440    HB3  GLU  53           HB1      GLU  53  -3.896  12.094   1.915
  441    HG2  GLU  53           HG2      GLU  53  -2.160  11.399   0.355
  442    HG3  GLU  53           HG1      GLU  53  -3.391  10.854  -0.782
  443    H    GLN  54           HN       GLN  54  -2.341   8.516   0.733
  444    HA   GLN  54           HA       GLN  54  -4.127   7.310  -1.261
  445    HB2  GLN  54           HB2      GLN  54  -1.115   7.446  -1.080
  446    HB3  GLN  54           HB1      GLN  54  -1.984   6.559  -2.323
  447    HG2  GLN  54           HG2      GLN  54  -2.258   9.517  -1.852
  448    HG3  GLN  54           HG1      GLN  54  -1.175   8.793  -3.036
  449   HE21  GLN  54          HE21      GLN  54  -4.487   9.429  -2.187
  450   HE22  GLN  54          HE22      GLN  54  -5.157   9.082  -3.740
  451    H    ALA  55           HN       ALA  55  -3.051   6.703   1.741
  452    HA   ALA  55           HA       ALA  55  -2.174   4.015   1.619
  453    HB1  ALA  55           HB1      ALA  55  -3.410   5.505   3.931
  454    HB2  ALA  55           HB2      ALA  55  -1.698   5.500   3.513
  455    HB3  ALA  55           HB3      ALA  55  -2.484   4.008   4.029
  456    H    GLY  56           HN       GLY  56  -3.252   2.158   1.625
  457    HA2  GLY  56           HA2      GLY  56  -5.066   0.720   2.017
  458    HA3  GLY  56           HA1      GLY  56  -6.098   2.124   2.249
  459    H    GLY  57           HN       GLY  57  -4.365   2.747  -0.470
  460    HA2  GLY  57           HA2      GLY  57  -6.194   1.278  -2.239
  461    HA3  GLY  57           HA1      GLY  57  -6.126   3.031  -2.347
  462    H    ASP  58           HN       ASP  58  -5.611   1.692  -4.581
  463    HA   ASP  58           HA       ASP  58  -2.786   1.176  -4.880
  464    HB2  ASP  58           HB2      ASP  58  -4.532  -0.093  -6.154
  465    HB3  ASP  58           HB1      ASP  58  -4.910   1.386  -7.032
  466    H    ALA  59           HN       ALA  59  -1.331   2.710  -5.181
  467    HA   ALA  59           HA       ALA  59  -2.198   5.253  -6.408
  468    HB1  ALA  59           HB1      ALA  59  -0.470   6.362  -5.067
  469    HB2  ALA  59           HB2      ALA  59  -0.071   4.816  -4.317
  470    HB3  ALA  59           HB3      ALA  59  -1.659   5.537  -4.056
  471    H    THR  60           HN       THR  60  -1.143   2.818  -7.679
  472    HA   THR  60           HA       THR  60   1.544   3.016  -8.377
  473    HB   THR  60           HB       THR  60  -0.608   2.062 -10.258
  474    HG1  THR  60           HG1      THR  60  -1.127   0.860  -8.558
  475   HG21  THR  60          HG21      THR  60   1.116   0.455 -10.946
  476   HG22  THR  60          HG22      THR  60   2.245   1.172  -9.796
  477   HG23  THR  60          HG23      THR  60   1.663   2.117 -11.169
  478    H    GLU  61           HN       GLU  61  -1.287   4.630  -9.712
  479    HA   GLU  61           HA       GLU  61  -0.228   5.666 -12.055
  480    HB2  GLU  61           HB2      GLU  61  -1.909   7.604 -11.532
  481    HB3  GLU  61           HB1      GLU  61  -2.505   5.984 -11.871
  482    HG2  GLU  61           HG2      GLU  61  -3.639   6.093  -9.971
  483    HG3  GLU  61           HG1      GLU  61  -2.097   6.030  -9.119
  484    H    ASN  62           HN       ASN  62  -0.127   7.039  -8.782
  485    HA   ASN  62           HA       ASN  62   1.239   9.420  -9.523
  486    HB2  ASN  62           HB2      ASN  62  -0.104   8.725  -7.331
  487    HB3  ASN  62           HB1      ASN  62   1.507   8.288  -6.772
  488   HD21  ASN  62          HD21      ASN  62  -0.353  10.400  -5.915
  489   HD22  ASN  62          HD22      ASN  62   0.533  11.879  -6.039
  490    H    PHE  63           HN       PHE  63   2.246   6.246  -8.450
  491    HA   PHE  63           HA       PHE  63   4.933   6.721  -7.863
  492    HB2  PHE  63           HB2      PHE  63   3.591   4.628  -7.415
  493    HB3  PHE  63           HB1      PHE  63   3.812   4.206  -9.107
  494    HD1  PHE  63           HD2      PHE  63   5.462   4.591  -5.861
  495    HD2  PHE  63           HD1      PHE  63   5.926   3.399  -9.919
  496    HE1  PHE  63           HE2      PHE  63   7.590   3.490  -5.292
  497    HE2  PHE  63           HE1      PHE  63   8.051   2.295  -9.358
  498    HZ   PHE  63           HZ       PHE  63   8.887   2.338  -7.039
  499    H    GLU  64           HN       GLU  64   3.469   5.659 -10.932
  500    HA   GLU  64           HA       GLU  64   5.968   5.779 -12.344
  501    HB2  GLU  64           HB2      GLU  64   4.394   5.480 -14.366
  502    HB3  GLU  64           HB1      GLU  64   4.513   4.166 -13.201
  503    HG2  GLU  64           HG2      GLU  64   2.429   4.686 -12.251
  504    HG3  GLU  64           HG1      GLU  64   2.369   6.256 -13.046
  505    H    ASP  65           HN       ASP  65   3.346   7.974 -11.731
  506    HA   ASP  65           HA       ASP  65   3.838   9.759 -13.890
  507    HB2  ASP  65           HB2      ASP  65   1.708   9.815 -12.734
  508    HB3  ASP  65           HB1      ASP  65   2.500  10.201 -11.212
  509    H    VAL  66           HN       VAL  66   4.911   9.626 -10.536
  510    HA   VAL  66           HA       VAL  66   6.475  12.015 -10.681
  511    HB   VAL  66           HB       VAL  66   6.340   9.760  -8.684
  512   HG11  VAL  66          HG11      VAL  66   8.656  10.603  -8.765
  513   HG12  VAL  66          HG12      VAL  66   7.856  10.979  -7.241
  514   HG13  VAL  66          HG13      VAL  66   8.059  12.233  -8.466
  515   HG21  VAL  66          HG21      VAL  66   4.464  11.289  -8.677
  516   HG22  VAL  66          HG22      VAL  66   5.553  12.671  -8.568
  517   HG23  VAL  66          HG23      VAL  66   5.435  11.531  -7.228
  518    H    GLY  67           HN       GLY  67   7.224   8.538 -10.775
  519    HA2  GLY  67           HA2      GLY  67   8.940   7.577 -12.084
  520    HA3  GLY  67           HA1      GLY  67   9.688   9.163 -12.225
  521    H    HIS  68           HN       HIS  68  10.002   6.197 -10.825
  522    HA   HIS  68           HA       HIS  68  11.541   7.288  -8.569
  523    HB2  HIS  68           HB2      HIS  68   9.958   4.749  -8.842
  524    HB3  HIS  68           HB1      HIS  68  11.249   4.885  -7.654
  525    HD1  HIS  68           HD1      HIS  68   8.118   6.905  -8.578
  526    HD2  HIS  68           HD2      HIS  68  10.370   5.732  -5.286
  527    HE1  HIS  68           HE1      HIS  68   6.911   7.788  -6.540
  528    H    SER  69           HN       SER  69  13.591   6.536  -8.191
  529    HA   SER  69           HA       SER  69  15.082   5.671 -10.440
  530    HB2  SER  69           HB2      SER  69  16.903   5.444  -8.573
  531    HB3  SER  69           HB1      SER  69  16.278   7.044  -8.973
  532    HG   SER  69           HG       SER  69  15.665   7.186  -6.971
  533    H    THR  70           HN       THR  70  16.628   3.783 -10.318
  534    HA   THR  70           HA       THR  70  15.219   1.375 -10.131
  535    HB   THR  70           HB       THR  70  18.147   1.186  -9.823
  536    HG1  THR  70           HG1      THR  70  17.445   2.050 -12.352
  537   HG21  THR  70          HG21      THR  70  16.332   0.222 -12.028
  538   HG22  THR  70          HG22      THR  70  16.585  -0.658 -10.521
  539   HG23  THR  70          HG23      THR  70  17.939  -0.374 -11.616
  540    H    ASP  71           HN       ASP  71  17.543   2.882  -7.934
  541    HA   ASP  71           HA       ASP  71  17.621   0.803  -6.038
  542    HB2  ASP  71           HB2      ASP  71  19.299   2.612  -6.155
  543    HB3  ASP  71           HB1      ASP  71  18.081   3.767  -5.624
  544    H    ALA  72           HN       ALA  72  15.477   3.547  -6.465
  545    HA   ALA  72           HA       ALA  72  14.179   3.403  -3.960
  546    HB1  ALA  72           HB1      ALA  72  13.084   4.487  -6.548
  547    HB2  ALA  72           HB2      ALA  72  14.129   5.374  -5.442
  548    HB3  ALA  72           HB3      ALA  72  12.523   4.868  -4.920
  549    H    ARG  73           HN       ARG  73  13.274   2.106  -7.164
  550    HA   ARG  73           HA       ARG  73  10.882   0.914  -6.222
  551    HB2  ARG  73           HB2      ARG  73  10.919  -0.363  -8.368
  552    HB3  ARG  73           HB1      ARG  73  11.044   1.379  -8.555
  553    HG2  ARG  73           HG2      ARG  73  12.787   1.006  -9.869
  554    HG3  ARG  73           HG1      ARG  73  13.675   0.516  -8.427
  555    HD2  ARG  73           HD2      ARG  73  13.880  -1.208 -10.082
  556    HD3  ARG  73           HD1      ARG  73  12.860  -1.795  -8.770
  557    HE   ARG  73           HE       ARG  73  11.534  -0.658 -11.110
  558   HH11  ARG  73          HH11      ARG  73  12.498  -3.498  -9.258
  559   HH12  ARG  73          HH12      ARG  73  11.317  -4.575 -10.108
  560   HH21  ARG  73          HH21      ARG  73  10.047  -1.991 -12.209
  561   HH22  ARG  73          HH22      ARG  73   9.951  -3.736 -11.760
  562    H    GLU  74           HN       GLU  74  14.186  -0.102  -6.145
  563    HA   GLU  74           HA       GLU  74  13.497  -2.861  -5.585
  564    HB2  GLU  74           HB2      GLU  74  16.139  -1.397  -5.598
  565    HB3  GLU  74           HB1      GLU  74  15.971  -3.100  -5.190
  566    HG2  GLU  74           HG2      GLU  74  15.286  -1.815  -7.825
  567    HG3  GLU  74           HG1      GLU  74  16.669  -2.854  -7.486
  568    H    LEU  75           HN       LEU  75  13.677   0.019  -3.870
  569    HA   LEU  75           HA       LEU  75  14.559  -1.042  -1.350
  570    HB2  LEU  75           HB2      LEU  75  14.878   1.321  -1.892
  571    HB3  LEU  75           HB1      LEU  75  13.145   1.538  -2.043
  572    HG   LEU  75           HG       LEU  75  13.022   0.827   0.424
  573   HD11  LEU  75          HD11      LEU  75  15.011   1.230   1.743
  574   HD12  LEU  75          HD12      LEU  75  15.935   1.576   0.280
  575   HD13  LEU  75          HD13      LEU  75  15.307  -0.048   0.563
  576   HD21  LEU  75          HD21      LEU  75  13.490   3.110   1.168
  577   HD22  LEU  75          HD22      LEU  75  12.594   3.090  -0.353
  578   HD23  LEU  75          HD23      LEU  75  14.326   3.432  -0.353
  579    H    SER  76           HN       SER  76  11.510  -0.429  -2.961
  580    HA   SER  76           HA       SER  76   9.803  -0.848  -0.757
  581    HB2  SER  76           HB2      SER  76   8.721  -1.620  -3.366
  582    HB3  SER  76           HB1      SER  76   8.187  -0.358  -2.252
  583    HG   SER  76           HG       SER  76   9.119   1.001  -3.545
  584    H    LYS  77           HN       LYS  77  11.722  -2.984  -2.504
  585    HA   LYS  77           HA       LYS  77  10.242  -5.338  -2.614
  586    HB2  LYS  77           HB2      LYS  77  12.469  -4.879  -3.667
  587    HB3  LYS  77           HB1      LYS  77  13.204  -5.090  -2.088
  588    HG2  LYS  77           HG2      LYS  77  12.362  -7.397  -2.025
  589    HG3  LYS  77           HG1      LYS  77  11.695  -7.176  -3.647
  590    HD2  LYS  77           HD2      LYS  77  13.990  -6.632  -4.444
  591    HD3  LYS  77           HD1      LYS  77  14.596  -7.024  -2.836
  592    HE2  LYS  77           HE2      LYS  77  13.875  -9.301  -3.057
  593    HE3  LYS  77           HE1      LYS  77  13.066  -8.944  -4.584
  594    HZ1  LYS  77           HZ1      LYS  77  15.168  -9.986  -5.011
  595    HZ2  LYS  77           HZ2      LYS  77  15.983  -8.850  -4.063
  596    HZ3  LYS  77           HZ3      LYS  77  15.253  -8.372  -5.509
  597    H    THR  78           HN       THR  78  11.931  -3.848   0.088
  598    HA   THR  78           HA       THR  78  11.561  -6.213   1.729
  599    HB   THR  78           HB       THR  78  13.621  -4.826   1.931
  600    HG1  THR  78           HG1      THR  78  13.740  -5.392   3.974
  601   HG21  THR  78          HG21      THR  78  12.671  -2.604   1.683
  602   HG22  THR  78          HG22      THR  78  13.508  -2.740   3.229
  603   HG23  THR  78          HG23      THR  78  11.747  -2.809   3.171
  604    H    PHE  79           HN       PHE  79   9.869  -3.357   0.981
  605    HA   PHE  79           HA       PHE  79   8.398  -3.236   3.464
  606    HB2  PHE  79           HB2      PHE  79   8.070  -1.727   0.866
  607    HB3  PHE  79           HB1      PHE  79   7.111  -1.433   2.313
  608    HD1  PHE  79           HD2      PHE  79   9.333  -1.738   4.351
  609    HD2  PHE  79           HD1      PHE  79   9.133   0.346   0.645
  610    HE1  PHE  79           HE2      PHE  79  11.037  -0.161   5.152
  611    HE2  PHE  79           HE1      PHE  79  10.841   1.930   1.442
  612    HZ   PHE  79           HZ       PHE  79  11.797   1.674   3.700
  613    H    ILE  80           HN       ILE  80   8.009  -4.720   0.342
  614    HA   ILE  80           HA       ILE  80   5.186  -5.021   0.471
  615    HB   ILE  80           HB       ILE  80   6.396  -5.217  -1.652
  616   HG12  ILE  80          HG12      ILE  80   4.927  -7.755  -0.914
  617   HG13  ILE  80          HG11      ILE  80   4.165  -6.239  -1.382
  618   HG21  ILE  80          HG21      ILE  80   8.386  -6.389  -0.825
  619   HG22  ILE  80          HG22      ILE  80   7.678  -7.187  -2.228
  620   HG23  ILE  80          HG23      ILE  80   7.425  -7.851  -0.616
  621   HD11  ILE  80          HD11      ILE  80   4.181  -7.768  -3.238
  622   HD12  ILE  80          HD12      ILE  80   5.930  -7.963  -3.101
  623   HD13  ILE  80          HD13      ILE  80   5.251  -6.405  -3.581
  624    H    ILE  81           HN       ILE  81   3.988  -6.330   1.629
  625    HA   ILE  81           HA       ILE  81   5.240  -8.720   2.819
  626    HB   ILE  81           HB       ILE  81   3.888  -8.492   4.797
  627   HG12  ILE  81          HG12      ILE  81   1.969  -7.314   3.523
  628   HG13  ILE  81          HG11      ILE  81   2.258  -6.855   5.195
  629   HG21  ILE  81          HG21      ILE  81   5.299  -5.910   4.153
  630   HG22  ILE  81          HG22      ILE  81   6.025  -7.371   4.824
  631   HG23  ILE  81          HG23      ILE  81   4.851  -6.455   5.771
  632   HD11  ILE  81          HD11      ILE  81   3.502  -4.882   4.393
  633   HD12  ILE  81          HD12      ILE  81   1.814  -4.899   3.886
  634   HD13  ILE  81          HD13      ILE  81   3.083  -5.325   2.740
  635    H    GLY  82           HN       GLY  82   3.014  -7.648   0.653
  636    HA2  GLY  82           HA2      GLY  82   1.885 -10.147   0.169
  637    HA3  GLY  82           HA1      GLY  82   0.761  -9.253   1.182
  638    H    GLU  83           HN       GLU  83  -0.561  -9.630  -0.828
  639    HA   GLU  83           HA       GLU  83  -0.484  -7.204  -2.394
  640    HB2  GLU  83           HB2      GLU  83  -0.699  -8.474  -4.561
  641    HB3  GLU  83           HB1      GLU  83   0.895  -8.490  -3.829
  642    HG2  GLU  83           HG2      GLU  83   0.367 -10.741  -2.901
  643    HG3  GLU  83           HG1      GLU  83  -1.129 -10.712  -3.836
  644    H    LEU  84           HN       LEU  84  -2.390  -7.339  -4.082
  645    HA   LEU  84           HA       LEU  84  -4.747  -7.710  -2.502
  646    HB2  LEU  84           HB2      LEU  84  -4.055  -6.523  -5.102
  647    HB3  LEU  84           HB1      LEU  84  -5.669  -7.196  -5.014
  648    HG   LEU  84           HG       LEU  84  -5.674  -4.813  -4.513
  649   HD11  LEU  84          HD11      LEU  84  -6.910  -4.876  -2.422
  650   HD12  LEU  84          HD12      LEU  84  -6.251  -6.470  -2.057
  651   HD13  LEU  84          HD13      LEU  84  -7.336  -6.257  -3.431
  652   HD21  LEU  84          HD21      LEU  84  -3.416  -4.601  -3.628
  653   HD22  LEU  84          HD22      LEU  84  -3.874  -5.527  -2.200
  654   HD23  LEU  84          HD23      LEU  84  -4.598  -3.946  -2.495
  655    H    HIS  85           HN       HIS  85  -6.636  -8.870  -3.219
  656    HA   HIS  85           HA       HIS  85  -6.049 -11.589  -3.846
  657    HB2  HIS  85           HB2      HIS  85  -8.444 -10.001  -3.115
  658    HB3  HIS  85           HB1      HIS  85  -8.741 -11.470  -4.032
  659    HD1  HIS  85           HD1      HIS  85  -9.567 -13.091  -2.347
  660    HD2  HIS  85           HD2      HIS  85  -6.232 -11.009  -1.005
  661    HE1  HIS  85           HE1      HIS  85  -8.974 -14.123  -0.132
  662    HE2  HIS  85           HE2      HIS  85  -6.855 -12.956   0.580
  663    HA   PRO  86           HA       PRO  86  -6.409 -11.662  -8.241
  664    HB2  PRO  86           HB2      PRO  86  -7.967 -13.915  -8.604
  665    HB3  PRO  86           HB1      PRO  86  -6.222 -13.933  -8.323
  666    HG2  PRO  86           HG2      PRO  86  -8.441 -14.397  -6.393
  667    HG3  PRO  86           HG1      PRO  86  -6.867 -15.206  -6.522
  668    HD2  PRO  86           HD2      PRO  86  -7.333 -13.350  -4.646
  669    HD3  PRO  86           HD1      PRO  86  -5.749 -13.509  -5.433
  670    H    ASP  87           HN       ASP  87  -9.422 -12.210  -6.453
  671    HA   ASP  87           HA       ASP  87 -11.160 -11.569  -8.595
  672    HB2  ASP  87           HB2      ASP  87 -11.546 -11.673  -5.607
  673    HB3  ASP  87           HB1      ASP  87 -12.845 -11.190  -6.693
  674    H    ASP  88           HN       ASP  88  -9.647  -9.653  -6.068
  675    HA   ASP  88           HA       ASP  88 -11.061  -7.242  -6.836
  676    HB2  ASP  88           HB2      ASP  88  -8.753  -7.587  -4.901
  677    HB3  ASP  88           HB1      ASP  88  -9.762  -6.154  -5.072
  678    H    ARG  89           HN       ARG  89  -8.896  -8.852  -8.441
  679    HA   ARG  89           HA       ARG  89  -7.304  -6.492  -9.192
  680    HB2  ARG  89           HB2      ARG  89  -6.074  -8.438  -8.130
  681    HB3  ARG  89           HB1      ARG  89  -6.472  -9.366  -9.568
  682    HG2  ARG  89           HG2      ARG  89  -5.284  -7.662 -10.930
  683    HG3  ARG  89           HG1      ARG  89  -4.793  -6.873  -9.427
  684    HD2  ARG  89           HD2      ARG  89  -4.083  -9.648 -10.362
  685    HD3  ARG  89           HD1      ARG  89  -2.997  -8.278 -10.153
  686    HE   ARG  89           HE       ARG  89  -4.396  -9.190  -7.774
  687   HH11  ARG  89          HH11      ARG  89  -1.463  -9.223  -9.706
  688   HH12  ARG  89          HH12      ARG  89  -0.440  -9.824  -8.347
  689   HH21  ARG  89          HH21      ARG  89  -3.133  -9.954  -6.018
  690   HH22  ARG  89          HH22      ARG  89  -1.364 -10.246  -6.298
  691    H    SER  90           HN       SER  90  -8.587  -9.559 -10.493
  692    HA   SER  90           HA       SER  90  -8.935  -8.161 -13.064
  693    HB2  SER  90           HB2      SER  90  -8.302 -11.092 -12.663
  694    HB3  SER  90           HB1      SER  90  -8.466 -10.257 -14.209
  695    HG   SER  90           HG       SER  90  -6.645  -9.044 -13.719
  696    H    LYS  91           HN       LYS  91 -10.997  -8.004 -11.291
  697    HA   LYS  91           HA       LYS  91 -13.098  -9.241 -12.761
  698    HB2  LYS  91           HB2      LYS  91 -12.059 -10.764 -10.622
  699    HB3  LYS  91           HB1      LYS  91 -13.598 -10.123 -10.065
  700    HG2  LYS  91           HG2      LYS  91 -14.777 -11.165 -11.823
  701    HG3  LYS  91           HG1      LYS  91 -13.294 -11.536 -12.700
  702    HD2  LYS  91           HD2      LYS  91 -13.832 -12.656  -9.967
  703    HD3  LYS  91           HD1      LYS  91 -14.430 -13.443 -11.428
  704    HE2  LYS  91           HE2      LYS  91 -12.228 -13.771 -12.254
  705    HE3  LYS  91           HE1      LYS  91 -11.536 -12.733 -11.010
  706    HZ1  LYS  91           HZ1      LYS  91 -11.143 -14.963 -10.376
  707    HZ2  LYS  91           HZ2      LYS  91 -12.750 -15.411 -10.646
  708    HZ3  LYS  91           HZ3      LYS  91 -12.365 -14.383  -9.354
  709    H    LEU  92           HN       LEU  92 -12.568  -8.113  -9.416
  710    HA   LEU  92           HA       LEU  92 -13.464  -6.416  -8.205
  711    HB2  LEU  92           HB2      LEU  92 -13.806  -5.348 -10.981
  712    HB3  LEU  92           HB1      LEU  92 -14.557  -4.505  -9.642
  713    HG   LEU  92           HG       LEU  92 -12.498  -3.414 -10.065
  714   HD11  LEU  92          HD11      LEU  92 -11.384  -3.564  -7.979
  715   HD12  LEU  92          HD12      LEU  92 -11.914  -5.227  -7.738
  716   HD13  LEU  92          HD13      LEU  92 -13.086  -3.911  -7.672
  717   HD21  LEU  92          HD21      LEU  92 -11.198  -6.133  -9.957
  718   HD22  LEU  92          HD22      LEU  92 -10.335  -4.600 -10.062
  719   HD23  LEU  92          HD23      LEU  92 -11.385  -5.114 -11.383
  720    H    SER  93           HN       SER  93 -15.053  -8.748  -9.011
  721    HA   SER  93           HA       SER  93 -17.768  -7.769  -9.250
  722    HB2  SER  93           HB2      SER  93 -17.132 -10.634  -8.678
  723    HB3  SER  93           HB1      SER  93 -18.349  -9.950  -9.755
  724    HG   SER  93           HG       SER  93 -16.830  -9.588 -11.277
  725    H    LYS  94           HN       LYS  94 -17.223  -6.579  -7.095
  726    HA   LYS  94           HA       LYS  94 -18.420  -8.166  -4.946
  727    HB2  LYS  94           HB2      LYS  94 -15.791  -6.712  -4.825
  728    HB3  LYS  94           HB1      LYS  94 -16.764  -6.904  -3.375
  729    HG2  LYS  94           HG2      LYS  94 -16.549  -9.240  -3.405
  730    HG3  LYS  94           HG1      LYS  94 -15.983  -9.246  -5.076
  731    HD2  LYS  94           HD2      LYS  94 -14.087  -9.648  -3.683
  732    HD3  LYS  94           HD1      LYS  94 -13.948  -8.001  -4.298
  733    HE2  LYS  94           HE2      LYS  94 -14.793  -7.124  -2.189
  734    HE3  LYS  94           HE1      LYS  94 -15.007  -8.762  -1.579
  735    HZ1  LYS  94           HZ1      LYS  94 -12.947  -7.672  -0.789
  736    HZ2  LYS  94           HZ2      LYS  94 -12.387  -7.619  -2.396
  737    HZ3  LYS  94           HZ3      LYS  94 -12.655  -9.109  -1.639
  738    HA   PRO  95           HA       PRO  95 -20.794  -4.414  -4.615
  739    HB2  PRO  95           HB2      PRO  95 -22.090  -4.953  -2.299
  740    HB3  PRO  95           HB1      PRO  95 -22.498  -5.762  -3.819
  741    HG2  PRO  95           HG2      PRO  95 -20.858  -6.763  -1.540
  742    HG3  PRO  95           HG1      PRO  95 -22.053  -7.624  -2.530
  743    HD2  PRO  95           HD2      PRO  95 -19.364  -7.856  -2.904
  744    HD3  PRO  95           HD1      PRO  95 -20.554  -8.056  -4.204
  745    H    MET  96           HN       MET  96 -20.423  -2.423  -3.711
  746    HA   MET  96           HA       MET  96 -18.386  -2.320  -1.616
  747    HB2  MET  96           HB2      MET  96 -18.135  -1.007  -3.769
  748    HB3  MET  96           HB1      MET  96 -19.456   0.005  -3.205
  749    HG2  MET  96           HG2      MET  96 -18.205   0.848  -1.413
  750    HG3  MET  96           HG1      MET  96 -16.992  -0.422  -1.554
  751    HE1  MET  96           HE1      MET  96 -18.417   2.900  -3.095
  752    HE2  MET  96           HE2      MET  96 -18.646   1.726  -4.391
  753    HE3  MET  96           HE3      MET  96 -17.473   3.028  -4.580
  754    H    GLU  97           HN       GLU  97 -21.393  -0.547  -2.395
  755    HA   GLU  97           HA       GLU  97 -23.075   0.265  -1.107
  756    HB2  GLU  97           HB2      GLU  97 -22.980  -2.072  -0.120
  757    HB3  GLU  97           HB1      GLU  97 -22.016  -1.390   1.183
  758    HG2  GLU  97           HG2      GLU  97 -24.234  -1.478   1.967
  759    HG3  GLU  97           HG1      GLU  97 -23.905   0.214   1.601
  760    H    THR  98           HN       THR  98 -22.869   2.366  -0.686
  761    HA   THR  98           HA       THR  98 -21.646   3.253   1.731
  762    HB   THR  98           HB       THR  98 -19.622   2.980   0.333
  763    HG1  THR  98           HG1      THR  98 -18.879   4.691   1.320
  764   HG21  THR  98          HG21      THR  98 -20.499   3.361  -1.872
  765   HG22  THR  98          HG22      THR  98 -19.276   4.591  -1.548
  766   HG23  THR  98          HG23      THR  98 -20.989   5.001  -1.446
  767    H    LEU  99           HN       LEU  99 -21.561   5.747   1.738
  768    HA   LEU  99           HA       LEU  99 -22.709   7.694   1.761
  769    HB2  LEU  99           HB2      LEU  99 -23.339   6.831  -1.059
  770    HB3  LEU  99           HB1      LEU  99 -23.718   8.417  -0.415
  771    HG   LEU  99           HG       LEU  99 -20.921   7.286  -0.595
  772   HD11  LEU  99          HD11      LEU  99 -21.708   7.565  -2.825
  773   HD12  LEU  99          HD12      LEU  99 -20.674   8.944  -2.451
  774   HD13  LEU  99          HD13      LEU  99 -22.426   9.127  -2.436
  775   HD21  LEU  99          HD21      LEU  99 -21.135   8.964   1.138
  776   HD22  LEU  99          HD22      LEU  99 -21.955  10.052   0.020
  777   HD23  LEU  99          HD23      LEU  99 -20.261   9.640  -0.237
  778    H    ILE 100           HN       ILE 100 -24.070   5.401   2.809
  779    HA   ILE 100           HA       ILE 100 -26.860   5.924   2.070
  780    HB   ILE 100           HB       ILE 100 -27.414   3.929   3.424
  781   HG12  ILE 100          HG12      ILE 100 -24.434   3.463   3.578
  782   HG13  ILE 100          HG11      ILE 100 -25.376   4.118   4.911
  783   HG21  ILE 100          HG21      ILE 100 -25.370   3.547   1.248
  784   HG22  ILE 100          HG22      ILE 100 -27.116   3.682   1.057
  785   HG23  ILE 100          HG23      ILE 100 -26.423   2.277   1.867
  786   HD11  ILE 100          HD11      ILE 100 -24.979   1.729   5.169
  787   HD12  ILE 100          HD12      ILE 100 -25.785   1.425   3.632
  788   HD13  ILE 100          HD13      ILE 100 -26.697   2.079   4.990
  789    H    THR 101           HN       THR 101 -24.642   7.014   4.235
  790    HA   THR 101           HA       THR 101 -26.699   7.611   6.253
  791    HB   THR 101           HB       THR 101 -23.718   7.492   6.746
  792    HG1  THR 101           HG1      THR 101 -25.722   5.546   7.340
  793   HG21  THR 101          HG21      THR 101 -24.386   7.462   9.112
  794   HG22  THR 101          HG22      THR 101 -26.076   7.599   8.631
  795   HG23  THR 101          HG23      THR 101 -24.954   8.919   8.298
  796    H    THR 102           HN       THR 102 -27.245   9.692   6.364
  797    HA   THR 102           HA       THR 102 -25.847  11.691   4.884
  798    HB   THR 102           HB       THR 102 -27.847  12.511   6.915
  799    HG1  THR 102           HG1      THR 102 -29.547  11.612   5.621
  800   HG21  THR 102          HG21      THR 102 -27.011  14.082   5.234
  801   HG22  THR 102          HG22      THR 102 -28.732  13.781   4.996
  802   HG23  THR 102          HG23      THR 102 -27.549  13.003   3.945
  803    H    VAL 103           HN       VAL 103 -24.066  12.676   5.563
  804    HA   VAL 103           HA       VAL 103 -23.652  13.016   8.460
  805    HB   VAL 103           HB       VAL 103 -21.237  13.047   8.018
  806   HG11  VAL 103          HG11      VAL 103 -22.598  10.599   6.895
  807   HG12  VAL 103          HG12      VAL 103 -22.333  10.939   8.605
  808   HG13  VAL 103          HG13      VAL 103 -20.957  10.675   7.536
  809   HG21  VAL 103          HG21      VAL 103 -20.370  12.388   5.815
  810   HG22  VAL 103          HG22      VAL 103 -21.266  13.905   5.741
  811   HG23  VAL 103          HG23      VAL 103 -22.011  12.414   5.172
  812    H    ASP 104           HN       ASP 104 -24.757  14.744   6.055
  813    HA   ASP 104           HA       ASP 104 -23.555  17.206   7.054
  814    HB2  ASP 104           HB2      ASP 104 -23.035  18.111   4.946
  815    HB3  ASP 104           HB1      ASP 104 -22.438  16.459   4.850
  816    HHB  HEM 400           HB       HEM 400  11.211   4.591  -1.832
  817    HHC  HEM 400           HC       HEM 400   4.959   5.038  -2.696
  818    HHD  HEM 400           HD       HEM 400   5.660  10.995  -4.712
  819    HMA  HEM 400          HMA1      HEM 400  13.122   5.121  -1.488
  820   HMAA  HEM 400          HMA2      HEM 400  14.227   6.466  -1.429
  821   HMAB  HEM 400          HMA3      HEM 400  14.183   5.507  -2.889
  822    HAA  HEM 400          HAA1      HEM 400  14.358   9.093  -2.368
  823   HAAA  HEM 400          HAA2      HEM 400  13.798   9.654  -3.936
  824    HBA  HEM 400          HBA1      HEM 400  14.554   7.091  -4.527
  825   HBAA  HEM 400          HBA2      HEM 400  15.723   7.522  -3.281
  826    HMB  HEM 400          HMB1      HEM 400   9.637   1.974  -2.022
  827   HMBA  HEM 400          HMB2      HEM 400   8.765   2.166  -0.495
  828   HMBB  HEM 400          HMB3      HEM 400  10.290   3.005  -0.765
  829    HAB  HEM 400           HAB      HEM 400   6.499   1.895  -1.915
  830    HBB  HEM 400          HBB1      HEM 400   4.772   4.234  -0.769
  831   HBBA  HEM 400          HBB2      HEM 400   4.353   2.362  -0.871
  832    HMC  HEM 400          HMC1      HEM 400   2.109   7.354  -3.683
  833   HMCA  HEM 400          HMC2      HEM 400   2.856   6.329  -2.454
  834   HMCB  HEM 400          HMC3      HEM 400   2.928   5.879  -4.161
  835    HAC  HEM 400           HAC      HEM 400   3.337  10.174  -5.276
  836    HBC  HEM 400          HBC1      HEM 400   2.087   9.397  -2.512
  837   HBCA  HEM 400          HBC2      HEM 400   1.419  10.624  -3.831
  838    HMD  HEM 400          HMD1      HEM 400   6.467  12.861  -4.991
  839   HMDA  HEM 400          HMD2      HEM 400   7.581  13.052  -6.345
  840   HMDB  HEM 400          HMD3      HEM 400   7.916  13.825  -4.793
  841    HAD  HEM 400          HAD1      HEM 400  10.128  13.571  -5.289
  842   HADA  HEM 400          HAD2      HEM 400  11.307  12.748  -4.278
  843    HBD  HEM 400          HBD1      HEM 400  10.920  11.394  -6.839
  844   HBDA  HEM 400          HBD2      HEM 400  12.412  11.948  -6.080
  845    HHA  HEM 400           HA       HEM 400  11.945  10.436  -4.159
  Start of MODEL   17
    1    H1   MET   1           HT1      MET   1  21.255 -13.501  16.951
    2    H2   MET   1           HT2      MET   1  21.917 -13.404  18.502
    3    H3   MET   1           HT3      MET   1  21.195 -12.045  17.804
    4    HA   MET   1           HA       MET   1  19.778 -14.553  18.466
    5    HB2  MET   1           HB2      MET   1  20.528 -13.404  20.498
    6    HB3  MET   1           HB1      MET   1  19.818 -11.903  19.924
    7    HG2  MET   1           HG2      MET   1  17.595 -12.947  19.997
    8    HG3  MET   1           HG1      MET   1  18.327 -14.417  20.639
    9    HE1  MET   1           HE1      MET   1  19.295 -14.703  22.969
   10    HE2  MET   1           HE2      MET   1  19.477 -13.425  24.172
   11    HE3  MET   1           HE3      MET   1  20.480 -13.419  22.721
   12    H    ALA   2           HN       ALA   2  19.178 -11.044  18.122
   13    HA   ALA   2           HA       ALA   2  16.606 -11.587  16.925
   14    HB1  ALA   2           HB1      ALA   2  17.043  -9.705  18.527
   15    HB2  ALA   2           HB2      ALA   2  16.231  -9.245  17.032
   16    HB3  ALA   2           HB3      ALA   2  17.950  -8.912  17.239
   17    H    ALA   3           HN       ALA   3  17.174 -12.648  15.003
   18    HA   ALA   3           HA       ALA   3  17.917 -10.822  12.852
   19    HB1  ALA   3           HB1      ALA   3  20.029 -11.843  13.488
   20    HB2  ALA   3           HB2      ALA   3  19.518 -12.420  11.902
   21    HB3  ALA   3           HB3      ALA   3  19.320 -13.450  13.319
   22    H    GLN   4           HN       GLN   4  16.335 -10.979  11.395
   23    HA   GLN   4           HA       GLN   4  15.413 -13.585  10.532
   24    HB2  GLN   4           HB2      GLN   4  12.983 -12.788  10.790
   25    HB3  GLN   4           HB1      GLN   4  13.817 -13.365  12.229
   26    HG2  GLN   4           HG2      GLN   4  14.218 -11.093  12.950
   27    HG3  GLN   4           HG1      GLN   4  13.503 -10.469  11.465
   28   HE21  GLN   4          HE21      GLN   4  11.924  -9.323  12.508
   29   HE22  GLN   4          HE22      GLN   4  10.585 -10.076  13.301
   30    H    SER   5           HN       SER   5  15.120 -13.598   8.421
   31    HA   SER   5           HA       SER   5  14.433 -11.095   7.049
   32    HB2  SER   5           HB2      SER   5  16.180 -12.817   5.472
   33    HB3  SER   5           HB1      SER   5  16.313 -11.092   5.799
   34    HG   SER   5           HG       SER   5  17.236 -13.252   7.383
   35    H    ASP   6           HN       ASP   6  12.449 -12.643   7.604
   36    HA   ASP   6           HA       ASP   6  12.039 -14.731   5.641
   37    HB2  ASP   6           HB2      ASP   6  10.400 -13.648   7.924
   38    HB3  ASP   6           HB1      ASP   6   9.712 -14.772   6.757
   39    H    LYS   7           HN       LYS   7  11.168 -14.432   3.704
   40    HA   LYS   7           HA       LYS   7   9.639 -11.956   3.238
   41    HB2  LYS   7           HB2      LYS   7  11.517 -13.510   1.488
   42    HB3  LYS   7           HB1      LYS   7  10.261 -12.521   0.761
   43    HG2  LYS   7           HG2      LYS   7  12.286 -11.474   2.722
   44    HG3  LYS   7           HG1      LYS   7  12.484 -11.410   0.970
   45    HD2  LYS   7           HD2      LYS   7  10.299 -10.163   0.879
   46    HD3  LYS   7           HD1      LYS   7  10.364 -10.067   2.639
   47    HE2  LYS   7           HE2      LYS   7  12.495  -9.014   0.784
   48    HE3  LYS   7           HE1      LYS   7  11.213  -8.036   1.492
   49    HZ1  LYS   7           HZ1      LYS   7  13.349  -9.485   2.960
   50    HZ2  LYS   7           HZ2      LYS   7  12.064  -8.674   3.702
   51    HZ3  LYS   7           HZ3      LYS   7  13.196  -7.809   2.791
   52    H    ASP   8           HN       ASP   8   7.535 -12.312   3.124
   53    HA   ASP   8           HA       ASP   8   6.576 -14.660   1.660
   54    HB2  ASP   8           HB2      ASP   8   6.556 -15.097   4.144
   55    HB3  ASP   8           HB1      ASP   8   5.396 -13.782   4.302
   56    H    VAL   9           HN       VAL   9   4.249 -14.459   1.099
   57    HA   VAL   9           HA       VAL   9   3.393 -11.658   0.874
   58    HB   VAL   9           HB       VAL   9   4.324 -12.133  -1.279
   59   HG11  VAL   9          HG11      VAL   9   2.688 -14.663  -1.238
   60   HG12  VAL   9          HG12      VAL   9   4.447 -14.529  -1.226
   61   HG13  VAL   9          HG13      VAL   9   3.534 -14.047  -2.657
   62   HG21  VAL   9          HG21      VAL   9   1.323 -12.269  -1.237
   63   HG22  VAL   9          HG22      VAL   9   2.237 -12.151  -2.742
   64   HG23  VAL   9          HG23      VAL   9   2.359 -10.871  -1.533
   65    H    LYS  10           HN       LYS  10   1.563 -11.520   2.006
   66    HA   LYS  10           HA       LYS  10  -0.289 -13.800   1.960
   67    HB2  LYS  10           HB2      LYS  10   0.406 -13.012   4.190
   68    HB3  LYS  10           HB1      LYS  10  -0.220 -11.411   3.819
   69    HG2  LYS  10           HG2      LYS  10  -2.409 -12.071   3.996
   70    HG3  LYS  10           HG1      LYS  10  -2.044 -13.753   3.611
   71    HD2  LYS  10           HD2      LYS  10  -1.053 -12.499   6.148
   72    HD3  LYS  10           HD1      LYS  10  -2.691 -13.140   6.032
   73    HE2  LYS  10           HE2      LYS  10  -0.187 -14.711   5.443
   74    HE3  LYS  10           HE1      LYS  10  -1.064 -14.763   6.969
   75    HZ1  LYS  10           HZ1      LYS  10  -3.012 -15.559   5.726
   76    HZ2  LYS  10           HZ2      LYS  10  -1.702 -16.614   5.608
   77    HZ3  LYS  10           HZ3      LYS  10  -2.091 -15.601   4.311
   78    H    TYR  11           HN       TYR  11  -1.954 -13.693   0.635
   79    HA   TYR  11           HA       TYR  11  -2.631 -11.295  -0.745
   80    HB2  TYR  11           HB2      TYR  11  -3.579 -14.118  -0.777
   81    HB3  TYR  11           HB1      TYR  11  -4.646 -12.888  -1.448
   82    HD1  TYR  11           HD2      TYR  11  -1.064 -13.949  -1.629
   83    HD2  TYR  11           HD1      TYR  11  -4.428 -12.348  -3.683
   84    HE1  TYR  11           HE2      TYR  11   0.219 -13.963  -3.725
   85    HE2  TYR  11           HE1      TYR  11  -3.150 -12.358  -5.784
   86    HH   TYR  11           HH       TYR  11  -0.399 -12.250  -6.263
   87    H    TYR  12           HN       TYR  12  -3.675  -9.694   0.163
   88    HA   TYR  12           HA       TYR  12  -5.696 -10.258   2.215
   89    HB2  TYR  12           HB2      TYR  12  -4.100  -7.793   1.532
   90    HB3  TYR  12           HB1      TYR  12  -5.502  -7.730   2.589
   91    HD1  TYR  12           HD2      TYR  12  -5.400  -9.643   4.513
   92    HD2  TYR  12           HD1      TYR  12  -2.048  -7.883   2.567
   93    HE1  TYR  12           HE2      TYR  12  -3.985 -10.220   6.439
   94    HE2  TYR  12           HE1      TYR  12  -0.626  -8.455   4.489
   95    HH   TYR  12           HH       TYR  12  -1.707 -10.528   7.039
   96    H    THR  13           HN       THR  13  -7.668  -9.005   2.193
   97    HA   THR  13           HA       THR  13  -8.801  -8.800  -0.452
   98    HB   THR  13           HB       THR  13 -10.553  -7.807   1.599
   99    HG1  THR  13           HG1      THR  13 -10.077  -9.050   3.257
  100   HG21  THR  13          HG21      THR  13 -11.876  -9.779   0.985
  101   HG22  THR  13          HG22      THR  13 -10.491 -10.433   0.110
  102   HG23  THR  13          HG23      THR  13 -11.265  -8.948  -0.444
  103    H    LEU  14           HN       LEU  14  -9.832  -6.837  -1.264
  104    HA   LEU  14           HA       LEU  14  -8.244  -4.542  -1.021
  105    HB2  LEU  14           HB2      LEU  14  -9.824  -5.167  -2.900
  106    HB3  LEU  14           HB1      LEU  14 -11.120  -4.555  -1.897
  107    HG   LEU  14           HG       LEU  14  -9.951  -2.335  -1.864
  108   HD11  LEU  14          HD11      LEU  14  -8.277  -1.914  -3.593
  109   HD12  LEU  14          HD12      LEU  14  -8.275  -3.624  -4.015
  110   HD13  LEU  14          HD13      LEU  14  -7.708  -3.106  -2.428
  111   HD21  LEU  14          HD21      LEU  14 -11.850  -2.898  -3.371
  112   HD22  LEU  14          HD22      LEU  14 -10.675  -3.330  -4.614
  113   HD23  LEU  14          HD23      LEU  14 -10.760  -1.672  -4.018
  114    H    GLU  15           HN       GLU  15 -11.346  -5.353   0.490
  115    HA   GLU  15           HA       GLU  15 -11.591  -2.860   1.869
  116    HB2  GLU  15           HB2      GLU  15 -13.378  -4.082   3.166
  117    HB3  GLU  15           HB1      GLU  15 -13.606  -4.040   1.425
  118    HG2  GLU  15           HG2      GLU  15 -12.194  -6.380   2.572
  119    HG3  GLU  15           HG1      GLU  15 -13.931  -6.253   2.846
  120    H    GLU  16           HN       GLU  16  -9.488  -5.364   2.340
  121    HA   GLU  16           HA       GLU  16  -9.467  -5.236   5.253
  122    HB2  GLU  16           HB2      GLU  16  -8.816  -7.219   3.432
  123    HB3  GLU  16           HB1      GLU  16  -7.250  -6.639   3.980
  124    HG2  GLU  16           HG2      GLU  16  -7.810  -8.418   5.402
  125    HG3  GLU  16           HG1      GLU  16  -8.098  -6.947   6.333
  126    H    ILE  17           HN       ILE  17  -7.434  -4.404   2.491
  127    HA   ILE  17           HA       ILE  17  -5.361  -3.303   4.138
  128    HB   ILE  17           HB       ILE  17  -4.384  -2.515   1.955
  129   HG12  ILE  17          HG12      ILE  17  -5.614  -4.060   0.071
  130   HG13  ILE  17          HG11      ILE  17  -6.995  -3.508   1.013
  131   HG21  ILE  17          HG21      ILE  17  -3.784  -4.790   1.225
  132   HG22  ILE  17          HG22      ILE  17  -5.064  -5.433   2.253
  133   HG23  ILE  17          HG23      ILE  17  -3.694  -4.590   2.975
  134   HD11  ILE  17          HD11      ILE  17  -6.538  -2.062  -0.892
  135   HD12  ILE  17          HD12      ILE  17  -4.927  -1.728  -0.254
  136   HD13  ILE  17          HD13      ILE  17  -6.357  -1.204   0.638
  137    H    LYS  18           HN       LYS  18  -8.097  -1.987   2.335
  138    HA   LYS  18           HA       LYS  18  -7.190   0.726   2.644
  139    HB2  LYS  18           HB2      LYS  18  -9.186   1.393   1.541
  140    HB3  LYS  18           HB1      LYS  18  -8.613  -0.061   0.734
  141    HG2  LYS  18           HG2      LYS  18 -10.380  -1.316   1.441
  142    HG3  LYS  18           HG1      LYS  18 -10.605  -0.375   2.918
  143    HD2  LYS  18           HD2      LYS  18 -12.453   0.010   1.395
  144    HD3  LYS  18           HD1      LYS  18 -11.499   1.483   1.569
  145    HE2  LYS  18           HE2      LYS  18 -10.287   0.794  -0.539
  146    HE3  LYS  18           HE1      LYS  18 -11.518  -0.452  -0.737
  147    HZ1  LYS  18           HZ1      LYS  18 -12.091   1.495  -1.999
  148    HZ2  LYS  18           HZ2      LYS  18 -11.991   2.477  -0.626
  149    HZ3  LYS  18           HZ3      LYS  18 -13.204   1.302  -0.742
  150    H    LYS  19           HN       LYS  19  -8.390  -1.380   4.850
  151    HA   LYS  19           HA       LYS  19  -9.861   0.712   6.292
  152    HB2  LYS  19           HB2      LYS  19 -10.913  -1.598   5.835
  153    HB3  LYS  19           HB1      LYS  19  -9.807  -2.200   7.062
  154    HG2  LYS  19           HG2      LYS  19 -11.972  -1.769   8.036
  155    HG3  LYS  19           HG1      LYS  19 -10.786  -0.639   8.688
  156    HD2  LYS  19           HD2      LYS  19 -12.633   0.711   8.252
  157    HD3  LYS  19           HD1      LYS  19 -11.616   0.957   6.836
  158    HE2  LYS  19           HE2      LYS  19 -13.681   0.621   5.871
  159    HE3  LYS  19           HE1      LYS  19 -12.998  -1.004   5.833
  160    HZ1  LYS  19           HZ1      LYS  19 -14.280  -1.642   7.688
  161    HZ2  LYS  19           HZ2      LYS  19 -15.344  -0.833   6.649
  162    HZ3  LYS  19           HZ3      LYS  19 -14.748  -0.051   8.024
  163    H    HIS  20           HN       HIS  20  -6.857  -0.195   5.983
  164    HA   HIS  20           HA       HIS  20  -6.231  -0.152   8.858
  165    HB2  HIS  20           HB2      HIS  20  -4.892  -1.380   6.499
  166    HB3  HIS  20           HB1      HIS  20  -3.861  -0.779   7.794
  167    HD1  HIS  20           HD1      HIS  20  -6.402  -3.430   7.025
  168    HD2  HIS  20           HD2      HIS  20  -3.953  -2.233  10.170
  169    HE1  HIS  20           HE1      HIS  20  -6.479  -5.303   8.696
  170    HE2  HIS  20           HE2      HIS  20  -4.865  -4.625  10.508
  171    H    ASN  21           HN       ASN  21  -6.691   1.942   6.541
  172    HA   ASN  21           HA       ASN  21  -4.283   3.478   6.501
  173    HB2  ASN  21           HB2      ASN  21  -5.690   5.177   5.350
  174    HB3  ASN  21           HB1      ASN  21  -5.784   3.585   4.607
  175   HD21  ASN  21          HD21      ASN  21  -7.634   5.746   4.356
  176   HD22  ASN  21          HD22      ASN  21  -9.157   5.201   4.971
  177    H    HIS  22           HN       HIS  22  -3.948   3.607   8.821
  178    HA   HIS  22           HA       HIS  22  -5.522   5.799   9.993
  179    HB2  HIS  22           HB2      HIS  22  -4.563   3.269  11.320
  180    HB3  HIS  22           HB1      HIS  22  -5.012   4.699  12.244
  181    HD1  HIS  22           HD1      HIS  22  -7.506   5.269  12.417
  182    HD2  HIS  22           HD2      HIS  22  -6.719   1.934  10.070
  183    HE1  HIS  22           HE1      HIS  22  -9.738   4.203  11.991
  184    HE2  HIS  22           HE2      HIS  22  -9.200   2.061  10.788
  185    H    SER  23           HN       SER  23  -2.668   4.172  11.355
  186    HA   SER  23           HA       SER  23  -0.996   6.441  10.655
  187    HB2  SER  23           HB2      SER  23  -0.373   6.745  13.113
  188    HB3  SER  23           HB1      SER  23  -1.958   7.349  12.624
  189    HG   SER  23           HG       SER  23  -2.796   6.044  14.031
  190    H    LYS  24           HN       LYS  24  -1.208   3.469  12.608
  191    HA   LYS  24           HA       LYS  24   1.628   2.974  12.015
  192    HB2  LYS  24           HB2      LYS  24   1.462   1.317  13.910
  193    HB3  LYS  24           HB1      LYS  24   1.282   3.008  14.355
  194    HG2  LYS  24           HG2      LYS  24  -1.284   2.451  14.055
  195    HG3  LYS  24           HG1      LYS  24  -0.719   0.811  14.380
  196    HD2  LYS  24           HD2      LYS  24  -1.295   1.690  16.486
  197    HD3  LYS  24           HD1      LYS  24   0.464   1.796  16.411
  198    HE2  LYS  24           HE2      LYS  24   0.395   4.126  15.976
  199    HE3  LYS  24           HE1      LYS  24  -1.340   4.089  15.670
  200    HZ1  LYS  24           HZ1      LYS  24  -1.572   3.385  18.058
  201    HZ2  LYS  24           HZ2      LYS  24  -1.064   4.974  17.810
  202    HZ3  LYS  24           HZ3      LYS  24   0.057   3.792  18.263
  203    H    SER  25           HN       SER  25  -0.675   2.432  10.239
  204    HA   SER  25           HA       SER  25   0.101  -0.231   9.456
  205    HB2  SER  25           HB2      SER  25  -2.806   0.345  10.103
  206    HB3  SER  25           HB1      SER  25  -2.167  -1.153   9.424
  207    HG   SER  25           HG       SER  25  -0.762  -0.729  11.580
  208    H    THR  26           HN       THR  26   0.268   2.482   8.478
  209    HA   THR  26           HA       THR  26  -1.650   2.924   6.415
  210    HB   THR  26           HB       THR  26   1.103   4.143   6.559
  211    HG1  THR  26           HG1      THR  26   0.475   4.810   8.480
  212   HG21  THR  26          HG21      THR  26  -0.007   6.070   5.562
  213   HG22  THR  26          HG22      THR  26  -1.550   5.221   5.608
  214   HG23  THR  26          HG23      THR  26  -0.254   4.635   4.568
  215    H    TRP  27           HN       TRP  27  -1.794   1.475   4.815
  216    HA   TRP  27           HA       TRP  27   0.665   0.510   3.532
  217    HB2  TRP  27           HB2      TRP  27  -2.149  -0.595   3.501
  218    HB3  TRP  27           HB1      TRP  27  -0.820  -1.248   2.548
  219    HD1  TRP  27           HD1      TRP  27   1.264  -0.794   5.131
  220    HE1  TRP  27           HE1      TRP  27   1.234  -2.601   6.951
  221    HE3  TRP  27           HE3      TRP  27  -3.291  -2.867   4.112
  222    HZ2  TRP  27           HZ2      TRP  27  -0.505  -4.659   7.835
  223    HZ3  TRP  27           HZ3      TRP  27  -4.065  -4.757   5.486
  224    HH2  TRP  27           HH2      TRP  27  -2.698  -5.633   7.307
  225    H    LEU  28           HN       LEU  28   0.834   0.517   1.273
  226    HA   LEU  28           HA       LEU  28  -1.069   2.256  -0.155
  227    HB2  LEU  28           HB2      LEU  28   1.587   2.882   0.501
  228    HB3  LEU  28           HB1      LEU  28   1.620   2.449  -1.195
  229    HG   LEU  28           HG       LEU  28  -0.337   4.472  -0.134
  230   HD11  LEU  28          HD11      LEU  28   1.865   5.245   0.521
  231   HD12  LEU  28          HD12      LEU  28   1.258   6.208  -0.825
  232   HD13  LEU  28          HD13      LEU  28   2.475   4.964  -1.110
  233   HD21  LEU  28          HD21      LEU  28  -0.024   5.287  -2.532
  234   HD22  LEU  28          HD22      LEU  28  -0.917   3.782  -2.300
  235   HD23  LEU  28          HD23      LEU  28   0.765   3.737  -2.830
  236    H    ILE  29           HN       ILE  29  -1.549   1.624  -2.245
  237    HA   ILE  29           HA       ILE  29  -0.570  -1.035  -2.978
  238    HB   ILE  29           HB       ILE  29  -2.766   0.536  -4.327
  239   HG12  ILE  29          HG12      ILE  29  -3.130  -1.658  -2.286
  240   HG13  ILE  29          HG11      ILE  29  -3.183   0.054  -1.870
  241   HG21  ILE  29          HG21      ILE  29  -3.446  -1.644  -5.190
  242   HG22  ILE  29          HG22      ILE  29  -2.089  -2.400  -4.360
  243   HG23  ILE  29          HG23      ILE  29  -1.796  -1.253  -5.666
  244   HD11  ILE  29          HD11      ILE  29  -5.055   0.345  -3.436
  245   HD12  ILE  29          HD12      ILE  29  -5.415  -0.800  -2.149
  246   HD13  ILE  29          HD13      ILE  29  -5.022  -1.386  -3.763
  247    H    LEU  30           HN       LEU  30   1.013  -1.231  -4.380
  248    HA   LEU  30           HA       LEU  30   1.287   0.772  -6.515
  249    HB2  LEU  30           HB2      LEU  30   3.514  -0.405  -4.851
  250    HB3  LEU  30           HB1      LEU  30   3.762   0.546  -6.303
  251    HG   LEU  30           HG       LEU  30   2.325   1.616  -3.879
  252   HD11  LEU  30          HD11      LEU  30   4.413   2.749  -3.312
  253   HD12  LEU  30          HD12      LEU  30   5.238   1.874  -4.600
  254   HD13  LEU  30          HD13      LEU  30   4.578   0.997  -3.220
  255   HD21  LEU  30          HD21      LEU  30   3.606   2.949  -6.259
  256   HD22  LEU  30          HD22      LEU  30   2.868   3.779  -4.889
  257   HD23  LEU  30          HD23      LEU  30   1.875   2.789  -5.957
  258    H    HIS  31           HN       HIS  31   0.975  -0.226  -8.369
  259    HA   HIS  31           HA       HIS  31   1.053  -1.743 -10.050
  260    HB2  HIS  31           HB2      HIS  31   3.420  -2.710  -8.459
  261    HB3  HIS  31           HB1      HIS  31   2.886  -3.549  -9.911
  262    HD1  HIS  31           HD1      HIS  31   3.001  -2.134 -12.178
  263    HD2  HIS  31           HD2      HIS  31   4.962  -0.484  -8.905
  264    HE1  HIS  31           HE1      HIS  31   4.548  -0.395 -13.123
  265    HE2  HIS  31           HE2      HIS  31   5.919   0.359 -11.153
  266    H    HIS  32           HN       HIS  32  -0.704  -2.069  -7.880
  267    HA   HIS  32           HA       HIS  32  -2.336  -3.477  -7.203
  268    HB2  HIS  32           HB2      HIS  32  -1.075  -5.353  -9.208
  269    HB3  HIS  32           HB1      HIS  32  -2.532  -5.741  -8.304
  270    HD1  HIS  32           HD1      HIS  32  -2.127  -5.204 -11.513
  271    HD2  HIS  32           HD2      HIS  32  -3.994  -2.769  -8.704
  272    HE1  HIS  32           HE1      HIS  32  -3.709  -3.753 -12.817
  273    HE2  HIS  32           HE2      HIS  32  -4.671  -2.159 -11.123
  274    H    LYS  33           HN       LYS  33   0.471  -3.447  -6.054
  275    HA   LYS  33           HA       LYS  33   0.218  -5.907  -4.450
  276    HB2  LYS  33           HB2      LYS  33   2.730  -4.359  -5.124
  277    HB3  LYS  33           HB1      LYS  33   2.658  -5.740  -4.041
  278    HG2  LYS  33           HG2      LYS  33   2.116  -7.214  -5.819
  279    HG3  LYS  33           HG1      LYS  33   1.846  -5.872  -6.934
  280    HD2  LYS  33           HD2      LYS  33   4.231  -5.261  -6.709
  281    HD3  LYS  33           HD1      LYS  33   4.472  -6.677  -5.686
  282    HE2  LYS  33           HE2      LYS  33   3.291  -6.946  -8.422
  283    HE3  LYS  33           HE1      LYS  33   5.038  -6.835  -8.205
  284    HZ1  LYS  33           HZ1      LYS  33   4.192  -9.132  -8.294
  285    HZ2  LYS  33           HZ2      LYS  33   3.303  -8.859  -6.877
  286    HZ3  LYS  33           HZ3      LYS  33   4.995  -8.790  -6.847
  287    H    VAL  34           HN       VAL  34   0.729  -5.697  -2.183
  288    HA   VAL  34           HA       VAL  34   0.051  -3.027  -1.182
  289    HB   VAL  34           HB       VAL  34   0.186  -5.556   0.458
  290   HG11  VAL  34          HG11      VAL  34   0.131  -3.290   1.569
  291   HG12  VAL  34          HG12      VAL  34  -1.166  -4.394   2.025
  292   HG13  VAL  34          HG13      VAL  34  -1.483  -3.084   0.888
  293   HG21  VAL  34          HG21      VAL  34  -1.356  -5.890  -1.444
  294   HG22  VAL  34          HG22      VAL  34  -2.246  -4.451  -0.947
  295   HG23  VAL  34          HG23      VAL  34  -2.190  -5.862   0.111
  296    H    TYR  35           HN       TYR  35   1.551  -1.764  -0.317
  297    HA   TYR  35           HA       TYR  35   4.008  -3.014   0.728
  298    HB2  TYR  35           HB2      TYR  35   3.690  -0.413  -0.777
  299    HB3  TYR  35           HB1      TYR  35   5.164  -0.879   0.066
  300    HD1  TYR  35           HD2      TYR  35   6.515  -2.772  -0.757
  301    HD2  TYR  35           HD1      TYR  35   3.104  -1.378  -2.889
  302    HE1  TYR  35           HE2      TYR  35   7.286  -3.973  -2.762
  303    HE2  TYR  35           HE1      TYR  35   3.866  -2.575  -4.895
  304    HH   TYR  35           HH       TYR  35   6.096  -3.392  -5.812
  305    H    ASP  36           HN       ASP  36   4.693  -2.394   2.709
  306    HA   ASP  36           HA       ASP  36   2.966  -0.557   4.203
  307    HB2  ASP  36           HB2      ASP  36   3.508  -2.865   5.103
  308    HB3  ASP  36           HB1      ASP  36   5.163  -2.312   5.315
  309    H    LEU  37           HN       LEU  37   3.574   1.441   4.520
  310    HA   LEU  37           HA       LEU  37   6.426   2.069   4.761
  311    HB2  LEU  37           HB2      LEU  37   6.304   3.941   3.317
  312    HB3  LEU  37           HB1      LEU  37   5.583   2.606   2.438
  313    HG   LEU  37           HG       LEU  37   3.860   4.544   3.949
  314   HD11  LEU  37          HD11      LEU  37   4.892   4.891   1.138
  315   HD12  LEU  37          HD12      LEU  37   5.293   5.899   2.529
  316   HD13  LEU  37          HD13      LEU  37   3.643   5.870   1.908
  317   HD21  LEU  37          HD21      LEU  37   2.206   3.885   2.291
  318   HD22  LEU  37          HD22      LEU  37   2.851   2.473   3.126
  319   HD23  LEU  37          HD23      LEU  37   3.396   2.856   1.493
  320    H    THR  38           HN       THR  38   4.137   1.681   6.572
  321    HA   THR  38           HA       THR  38   3.180   4.167   7.502
  322    HB   THR  38           HB       THR  38   2.410   1.670   7.965
  323    HG1  THR  38           HG1      THR  38   2.150   3.808   9.842
  324   HG21  THR  38          HG21      THR  38   4.043   2.336  10.424
  325   HG22  THR  38          HG22      THR  38   4.352   1.015   9.296
  326   HG23  THR  38          HG23      THR  38   2.893   1.005  10.288
  327    H    LYS  39           HN       LYS  39   6.203   2.628   7.868
  328    HA   LYS  39           HA       LYS  39   6.907   4.420  10.092
  329    HB2  LYS  39           HB2      LYS  39   8.178   1.853   9.130
  330    HB3  LYS  39           HB1      LYS  39   8.928   2.915  10.316
  331    HG2  LYS  39           HG2      LYS  39   6.221   1.637  10.653
  332    HG3  LYS  39           HG1      LYS  39   7.727   0.978  11.295
  333    HD2  LYS  39           HD2      LYS  39   8.054   3.013  12.617
  334    HD3  LYS  39           HD1      LYS  39   6.555   3.679  11.969
  335    HE2  LYS  39           HE2      LYS  39   5.289   1.879  12.997
  336    HE3  LYS  39           HE1      LYS  39   6.781   1.157  13.598
  337    HZ1  LYS  39           HZ1      LYS  39   7.161   3.152  14.919
  338    HZ2  LYS  39           HZ2      LYS  39   5.687   2.430  15.318
  339    HZ3  LYS  39           HZ3      LYS  39   5.712   3.821  14.358
  340    H    PHE  40           HN       PHE  40   6.863   4.557   6.922
  341    HA   PHE  40           HA       PHE  40   9.524   5.798   6.712
  342    HB2  PHE  40           HB2      PHE  40   8.531   3.675   5.215
  343    HB3  PHE  40           HB1      PHE  40   8.349   5.071   4.158
  344    HD1  PHE  40           HD1      PHE  40  10.853   3.477   6.401
  345    HD2  PHE  40           HD2      PHE  40  10.128   5.695   2.850
  346    HE1  PHE  40           HE1      PHE  40  13.240   3.331   5.829
  347    HE2  PHE  40           HE2      PHE  40  12.514   5.556   2.269
  348    HZ   PHE  40           HZ       PHE  40  14.072   4.372   3.761
  349    H    LEU  41           HN       LEU  41   6.448   6.607   7.093
  350    HA   LEU  41           HA       LEU  41   5.784   8.337   5.010
  351    HB2  LEU  41           HB2      LEU  41   5.130   8.636   7.941
  352    HB3  LEU  41           HB1      LEU  41   4.318   9.465   6.627
  353    HG   LEU  41           HG       LEU  41   4.348   6.462   6.896
  354   HD11  LEU  41          HD11      LEU  41   3.274   7.413   8.861
  355   HD12  LEU  41          HD12      LEU  41   2.083   6.662   7.802
  356   HD13  LEU  41          HD13      LEU  41   2.253   8.416   7.836
  357   HD21  LEU  41          HD21      LEU  41   2.592   8.340   5.315
  358   HD22  LEU  41          HD22      LEU  41   2.449   6.582   5.369
  359   HD23  LEU  41          HD23      LEU  41   3.878   7.329   4.656
  360    H    GLU  42           HN       GLU  42   7.500   9.019   8.031
  361    HA   GLU  42           HA       GLU  42   8.118  11.722   7.175
  362    HB2  GLU  42           HB2      GLU  42   9.260  11.815   9.423
  363    HB3  GLU  42           HB1      GLU  42   7.531  11.494   9.472
  364    HG2  GLU  42           HG2      GLU  42   7.799   9.398  10.268
  365    HG3  GLU  42           HG1      GLU  42   9.316   9.143   9.404
  366    H    GLU  43           HN       GLU  43   9.352   8.850   6.383
  367    HA   GLU  43           HA       GLU  43  12.155   9.755   6.410
  368    HB2  GLU  43           HB2      GLU  43  11.037   6.959   6.158
  369    HB3  GLU  43           HB1      GLU  43  12.743   7.372   6.115
  370    HG2  GLU  43           HG2      GLU  43  11.549   8.458   8.473
  371    HG3  GLU  43           HG1      GLU  43  11.175   6.739   8.345
  372    H    HIS  44           HN       HIS  44   9.727  10.129   4.570
  373    HA   HIS  44           HA       HIS  44  10.941   9.177   2.072
  374    HB2  HIS  44           HB2      HIS  44   8.626   8.392   2.654
  375    HB3  HIS  44           HB1      HIS  44   8.095  10.069   2.555
  376    HD1  HIS  44           HD1      HIS  44   7.689  11.028   0.231
  377    HD2  HIS  44           HD2      HIS  44   9.295   7.193   0.189
  378    HE1  HIS  44           HE1      HIS  44   7.492  10.208  -2.144
  379    HA   PRO  45           HA       PRO  45  11.983  13.491   1.436
  380    HB2  PRO  45           HB2      PRO  45  12.841  13.212  -1.149
  381    HB3  PRO  45           HB1      PRO  45  13.828  12.798   0.259
  382    HG2  PRO  45           HG2      PRO  45  12.251  10.999  -1.518
  383    HG3  PRO  45           HG1      PRO  45  13.856  10.753  -0.801
  384    HD2  PRO  45           HD2      PRO  45  11.642   9.598   0.214
  385    HD3  PRO  45           HD1      PRO  45  13.006  10.106   1.232
  386    H    GLY  46           HN       GLY  46  10.373  14.885   1.194
  387    HA2  GLY  46           HA2      GLY  46   9.253  16.098  -0.730
  388    HA3  GLY  46           HA1      GLY  46   8.536  14.532  -1.088
  389    H    GLY  47           HN       GLY  47   8.528  14.177   1.988
  390    HA2  GLY  47           HA2      GLY  47   7.263  15.201   3.774
  391    HA3  GLY  47           HA1      GLY  47   6.220  15.921   2.557
  392    H    GLU  48           HN       GLU  48   5.349  14.438   4.788
  393    HA   GLU  48           HA       GLU  48   4.553  11.829   3.780
  394    HB2  GLU  48           HB2      GLU  48   3.441  11.646   6.047
  395    HB3  GLU  48           HB1      GLU  48   5.191  11.818   6.073
  396    HG2  GLU  48           HG2      GLU  48   4.957  14.186   6.595
  397    HG3  GLU  48           HG1      GLU  48   3.205  14.031   6.537
  398    H    GLU  49           HN       GLU  49   3.395  14.999   3.771
  399    HA   GLU  49           HA       GLU  49   0.631  14.680   4.054
  400    HB2  GLU  49           HB2      GLU  49   1.930  16.838   3.929
  401    HB3  GLU  49           HB1      GLU  49   2.011  16.611   2.189
  402    HG2  GLU  49           HG2      GLU  49   0.239  18.161   2.864
  403    HG3  GLU  49           HG1      GLU  49  -0.388  16.746   2.018
  404    H    VAL  50           HN       VAL  50   2.715  14.305   1.233
  405    HA   VAL  50           HA       VAL  50   0.525  13.804  -0.560
  406    HB   VAL  50           HB       VAL  50   2.272  13.209  -2.208
  407   HG11  VAL  50          HG11      VAL  50   3.277  15.436  -2.362
  408   HG12  VAL  50          HG12      VAL  50   2.757  15.778  -0.709
  409   HG13  VAL  50          HG13      VAL  50   1.557  15.512  -1.975
  410   HG21  VAL  50          HG21      VAL  50   4.629  13.483  -1.647
  411   HG22  VAL  50          HG22      VAL  50   3.893  12.205  -0.679
  412   HG23  VAL  50          HG23      VAL  50   4.203  13.787   0.037
  413    H    LEU  51           HN       LEU  51   1.873  11.947   1.817
  414    HA   LEU  51           HA       LEU  51   1.515   9.435   0.342
  415    HB2  LEU  51           HB2      LEU  51   2.753   9.923   3.052
  416    HB3  LEU  51           HB1      LEU  51   2.645   8.370   2.247
  417    HG   LEU  51           HG       LEU  51   4.203  10.739   1.210
  418   HD11  LEU  51          HD11      LEU  51   5.141   8.225   2.586
  419   HD12  LEU  51          HD12      LEU  51   5.194   9.860   3.248
  420   HD13  LEU  51          HD13      LEU  51   6.183   9.443   1.847
  421   HD21  LEU  51          HD21      LEU  51   3.953   7.892   0.254
  422   HD22  LEU  51          HD22      LEU  51   5.193   9.014  -0.298
  423   HD23  LEU  51          HD23      LEU  51   3.493   9.355  -0.611
  424    H    ARG  52           HN       ARG  52   0.400  11.219   3.164
  425    HA   ARG  52           HA       ARG  52  -1.241   9.170   4.204
  426    HB2  ARG  52           HB2      ARG  52  -2.343  11.001   5.493
  427    HB3  ARG  52           HB1      ARG  52  -0.595  10.972   5.645
  428    HG2  ARG  52           HG2      ARG  52  -0.849  13.185   5.327
  429    HG3  ARG  52           HG1      ARG  52  -0.799  12.706   3.633
  430    HD2  ARG  52           HD2      ARG  52  -2.636  14.239   4.012
  431    HD3  ARG  52           HD1      ARG  52  -3.251  12.642   3.589
  432    HE   ARG  52           HE       ARG  52  -3.834  12.321   5.900
  433   HH11  ARG  52          HH11      ARG  52  -2.895  15.601   4.995
  434   HH12  ARG  52          HH12      ARG  52  -3.747  16.335   6.410
  435   HH21  ARG  52          HH21      ARG  52  -4.907  13.216   7.684
  436   HH22  ARG  52          HH22      ARG  52  -4.861  15.004   7.920
  437    H    GLU  53           HN       GLU  53  -1.695  11.336   1.555
  438    HA   GLU  53           HA       GLU  53  -4.581  11.028   1.564
  439    HB2  GLU  53           HB2      GLU  53  -4.396  12.290  -0.638
  440    HB3  GLU  53           HB1      GLU  53  -3.903  13.145   0.814
  441    HG2  GLU  53           HG2      GLU  53  -1.564  12.694   0.286
  442    HG3  GLU  53           HG1      GLU  53  -2.057  11.835  -1.172
  443    H    GLN  54           HN       GLN  54  -2.200   8.984   0.819
  444    HA   GLN  54           HA       GLN  54  -3.763   7.718  -1.338
  445    HB2  GLN  54           HB2      GLN  54  -0.782   7.930  -0.981
  446    HB3  GLN  54           HB1      GLN  54  -1.497   6.658  -1.960
  447    HG2  GLN  54           HG2      GLN  54  -1.805   9.620  -2.405
  448    HG3  GLN  54           HG1      GLN  54  -0.775   8.528  -3.331
  449   HE21  GLN  54          HE21      GLN  54  -2.908  10.206  -4.299
  450   HE22  GLN  54          HE22      GLN  54  -4.066   9.152  -5.029
  451    H    ALA  55           HN       ALA  55  -3.461   7.506   1.743
  452    HA   ALA  55           HA       ALA  55  -2.425   4.934   2.297
  453    HB1  ALA  55           HB1      ALA  55  -4.422   6.555   3.871
  454    HB2  ALA  55           HB2      ALA  55  -2.667   6.667   4.008
  455    HB3  ALA  55           HB3      ALA  55  -3.495   5.181   4.470
  456    H    GLY  56           HN       GLY  56  -3.232   3.062   1.671
  457    HA2  GLY  56           HA2      GLY  56  -4.812   1.361   1.503
  458    HA3  GLY  56           HA1      GLY  56  -6.065   2.509   1.947
  459    H    GLY  57           HN       GLY  57  -4.260   3.903  -0.429
  460    HA2  GLY  57           HA2      GLY  57  -6.171   2.997  -2.486
  461    HA3  GLY  57           HA1      GLY  57  -5.495   4.618  -2.404
  462    H    ASP  58           HN       ASP  58  -5.240   3.614  -4.755
  463    HA   ASP  58           HA       ASP  58  -2.630   2.287  -4.950
  464    HB2  ASP  58           HB2      ASP  58  -4.560   1.242  -6.150
  465    HB3  ASP  58           HB1      ASP  58  -4.699   2.704  -7.121
  466    H    ALA  59           HN       ALA  59  -0.942   3.490  -5.365
  467    HA   ALA  59           HA       ALA  59  -1.349   6.039  -6.789
  468    HB1  ALA  59           HB1      ALA  59   0.525   6.963  -5.532
  469    HB2  ALA  59           HB2      ALA  59   0.704   5.438  -4.664
  470    HB3  ALA  59           HB3      ALA  59  -0.752   6.408  -4.449
  471    H    THR  60           HN       THR  60  -0.762   3.355  -7.839
  472    HA   THR  60           HA       THR  60   1.921   3.009  -8.535
  473    HB   THR  60           HB       THR  60  -0.462   2.315 -10.264
  474    HG1  THR  60           HG1      THR  60  -0.907   1.318  -8.387
  475   HG21  THR  60          HG21      THR  60   2.273   1.052 -10.041
  476   HG22  THR  60          HG22      THR  60   1.726   2.080 -11.364
  477   HG23  THR  60          HG23      THR  60   0.963   0.515 -11.090
  478    H    GLU  61           HN       GLU  61  -0.627   4.887 -10.059
  479    HA   GLU  61           HA       GLU  61   0.730   5.626 -12.390
  480    HB2  GLU  61           HB2      GLU  61  -0.850   7.679 -12.246
  481    HB3  GLU  61           HB1      GLU  61  -1.542   6.079 -12.461
  482    HG2  GLU  61           HG2      GLU  61  -2.132   5.960 -10.139
  483    HG3  GLU  61           HG1      GLU  61  -1.301   7.482  -9.814
  484    H    ASN  62           HN       ASN  62   0.614   7.176  -9.200
  485    HA   ASN  62           HA       ASN  62   2.158   9.431  -9.988
  486    HB2  ASN  62           HB2      ASN  62   0.633   9.040  -7.866
  487    HB3  ASN  62           HB1      ASN  62   2.139   8.475  -7.150
  488   HD21  ASN  62          HD21      ASN  62   0.357  11.184  -8.308
  489   HD22  ASN  62          HD22      ASN  62   1.457  12.410  -7.777
  490    H    PHE  63           HN       PHE  63   2.893   6.288  -8.625
  491    HA   PHE  63           HA       PHE  63   5.567   6.632  -7.928
  492    HB2  PHE  63           HB2      PHE  63   4.260   4.657  -7.323
  493    HB3  PHE  63           HB1      PHE  63   4.159   4.180  -9.012
  494    HD1  PHE  63           HD2      PHE  63   6.350   4.436  -6.082
  495    HD2  PHE  63           HD1      PHE  63   5.997   3.087 -10.102
  496    HE1  PHE  63           HE2      PHE  63   8.398   3.097  -5.811
  497    HE2  PHE  63           HE1      PHE  63   8.038   1.742  -9.837
  498    HZ   PHE  63           HZ       PHE  63   9.243   1.746  -7.691
  499    H    GLU  64           HN       GLU  64   4.156   5.648 -11.042
  500    HA   GLU  64           HA       GLU  64   6.771   5.564 -12.287
  501    HB2  GLU  64           HB2      GLU  64   5.418   5.032 -14.369
  502    HB3  GLU  64           HB1      GLU  64   5.338   3.867 -13.057
  503    HG2  GLU  64           HG2      GLU  64   3.189   4.957 -12.355
  504    HG3  GLU  64           HG1      GLU  64   3.259   5.890 -13.849
  505    H    ASP  65           HN       ASP  65   4.166   7.825 -11.977
  506    HA   ASP  65           HA       ASP  65   4.777   9.419 -14.251
  507    HB2  ASP  65           HB2      ASP  65   2.604   9.617 -13.202
  508    HB3  ASP  65           HB1      ASP  65   3.339  10.092 -11.677
  509    H    VAL  66           HN       VAL  66   5.885   9.385 -10.915
  510    HA   VAL  66           HA       VAL  66   7.423  11.801 -11.203
  511    HB   VAL  66           HB       VAL  66   7.388   9.701  -9.029
  512   HG11  VAL  66          HG11      VAL  66   9.597  10.853  -9.247
  513   HG12  VAL  66          HG12      VAL  66   8.783  11.116  -7.706
  514   HG13  VAL  66          HG13      VAL  66   8.769  12.379  -8.937
  515   HG21  VAL  66          HG21      VAL  66   5.341  11.034  -9.206
  516   HG22  VAL  66          HG22      VAL  66   6.295  12.515  -9.104
  517   HG23  VAL  66          HG23      VAL  66   6.227  11.414  -7.730
  518    H    GLY  67           HN       GLY  67   8.255   8.360 -10.766
  519    HA2  GLY  67           HA2      GLY  67   9.909   7.279 -12.124
  520    HA3  GLY  67           HA1      GLY  67  10.692   8.838 -12.346
  521    H    HIS  68           HN       HIS  68  10.630   5.972 -10.567
  522    HA   HIS  68           HA       HIS  68  12.240   7.104  -8.390
  523    HB2  HIS  68           HB2      HIS  68  10.731   4.523  -8.715
  524    HB3  HIS  68           HB1      HIS  68  11.970   4.697  -7.479
  525    HD1  HIS  68           HD1      HIS  68   8.731   6.475  -8.509
  526    HD2  HIS  68           HD2      HIS  68  11.057   5.653  -5.152
  527    HE1  HIS  68           HE1      HIS  68   7.444   7.355  -6.518
  528    H    SER  69           HN       SER  69  14.339   6.465  -8.009
  529    HA   SER  69           HA       SER  69  15.834   5.524 -10.233
  530    HB2  SER  69           HB2      SER  69  16.782   5.673  -7.367
  531    HB3  SER  69           HB1      SER  69  17.753   5.788  -8.834
  532    HG   SER  69           HG       SER  69  16.006   7.679  -7.679
  533    H    THR  70           HN       THR  70  17.439   3.673  -9.977
  534    HA   THR  70           HA       THR  70  16.038   1.253  -9.722
  535    HB   THR  70           HB       THR  70  19.026   1.358  -9.557
  536    HG1  THR  70           HG1      THR  70  17.985   1.535 -12.105
  537   HG21  THR  70          HG21      THR  70  17.127  -0.331 -11.198
  538   HG22  THR  70          HG22      THR  70  17.821  -0.811  -9.650
  539   HG23  THR  70          HG23      THR  70  18.869  -0.555 -11.043
  540    H    ASP  71           HN       ASP  71  18.358   2.867  -7.578
  541    HA   ASP  71           HA       ASP  71  18.461   0.800  -5.642
  542    HB2  ASP  71           HB2      ASP  71  20.101   2.737  -5.933
  543    HB3  ASP  71           HB1      ASP  71  18.921   3.733  -5.088
  544    H    ALA  72           HN       ALA  72  16.246   3.370  -6.268
  545    HA   ALA  72           HA       ALA  72  15.013   3.438  -3.698
  546    HB1  ALA  72           HB1      ALA  72  13.829   4.350  -6.309
  547    HB2  ALA  72           HB2      ALA  72  14.965   5.302  -5.360
  548    HB3  ALA  72           HB3      ALA  72  13.392   4.880  -4.684
  549    H    ARG  73           HN       ARG  73  14.063   2.006  -6.827
  550    HA   ARG  73           HA       ARG  73  11.678   0.846  -5.852
  551    HB2  ARG  73           HB2      ARG  73  11.733  -0.534  -7.920
  552    HB3  ARG  73           HB1      ARG  73  11.939   1.185  -8.218
  553    HG2  ARG  73           HG2      ARG  73  13.630   0.531  -9.522
  554    HG3  ARG  73           HG1      ARG  73  14.520   0.376  -8.007
  555    HD2  ARG  73           HD2      ARG  73  14.862  -1.647  -9.180
  556    HD3  ARG  73           HD1      ARG  73  13.696  -2.011  -7.908
  557    HE   ARG  73           HE       ARG  73  12.463  -1.309 -10.402
  558   HH11  ARG  73          HH11      ARG  73  13.928  -3.925  -8.541
  559   HH12  ARG  73          HH12      ARG  73  13.052  -5.205  -9.474
  560   HH21  ARG  73          HH21      ARG  73  11.350  -2.903 -11.587
  561   HH22  ARG  73          HH22      ARG  73  11.613  -4.636 -11.163
  562    H    GLU  74           HN       GLU  74  14.983  -0.183  -5.709
  563    HA   GLU  74           HA       GLU  74  14.405  -2.929  -5.138
  564    HB2  GLU  74           HB2      GLU  74  16.888  -1.241  -4.893
  565    HB3  GLU  74           HB1      GLU  74  16.844  -2.912  -4.351
  566    HG2  GLU  74           HG2      GLU  74  16.342  -1.929  -7.151
  567    HG3  GLU  74           HG1      GLU  74  17.783  -2.766  -6.573
  568    H    LEU  75           HN       LEU  75  14.576  -0.005  -3.328
  569    HA   LEU  75           HA       LEU  75  14.967  -1.204  -0.769
  570    HB2  LEU  75           HB2      LEU  75  15.505   1.165  -1.298
  571    HB3  LEU  75           HB1      LEU  75  13.791   1.487  -1.468
  572    HG   LEU  75           HG       LEU  75  13.531   0.783   0.947
  573   HD11  LEU  75          HD11      LEU  75  15.542   0.859   2.342
  574   HD12  LEU  75          HD12      LEU  75  16.538   1.002   0.893
  575   HD13  LEU  75          HD13      LEU  75  15.604  -0.468   1.181
  576   HD21  LEU  75          HD21      LEU  75  14.319   2.934   1.817
  577   HD22  LEU  75          HD22      LEU  75  13.510   3.124   0.264
  578   HD23  LEU  75          HD23      LEU  75  15.269   3.180   0.352
  579    H    SER  76           HN       SER  76  12.221  -0.421  -2.786
  580    HA   SER  76           HA       SER  76  10.208  -0.678  -0.818
  581    HB2  SER  76           HB2      SER  76   9.649  -1.378  -3.667
  582    HB3  SER  76           HB1      SER  76   8.718  -0.370  -2.555
  583    HG   SER  76           HG       SER  76   9.725   1.294  -3.333
  584    H    LYS  77           HN       LYS  77  12.215  -2.997  -2.254
  585    HA   LYS  77           HA       LYS  77  10.481  -5.212  -2.438
  586    HB2  LYS  77           HB2      LYS  77  13.437  -4.851  -2.261
  587    HB3  LYS  77           HB1      LYS  77  12.772  -6.463  -2.025
  588    HG2  LYS  77           HG2      LYS  77  11.719  -6.375  -4.210
  589    HG3  LYS  77           HG1      LYS  77  12.308  -4.728  -4.445
  590    HD2  LYS  77           HD2      LYS  77  14.561  -5.448  -4.535
  591    HD3  LYS  77           HD1      LYS  77  14.146  -7.053  -3.933
  592    HE2  LYS  77           HE2      LYS  77  13.016  -7.601  -5.970
  593    HE3  LYS  77           HE1      LYS  77  13.165  -5.947  -6.561
  594    HZ1  LYS  77           HZ1      LYS  77  14.804  -7.347  -7.602
  595    HZ2  LYS  77           HZ2      LYS  77  15.393  -7.857  -6.106
  596    HZ3  LYS  77           HZ3      LYS  77  15.587  -6.244  -6.585
  597    H    THR  78           HN       THR  78  11.820  -3.623   0.305
  598    HA   THR  78           HA       THR  78  11.332  -5.977   1.981
  599    HB   THR  78           HB       THR  78  13.482  -4.662   2.228
  600    HG1  THR  78           HG1      THR  78  11.926  -4.745   4.617
  601   HG21  THR  78          HG21      THR  78  12.710  -2.401   2.065
  602   HG22  THR  78          HG22      THR  78  13.327  -2.638   3.698
  603   HG23  THR  78          HG23      THR  78  11.589  -2.626   3.408
  604    H    PHE  79           HN       PHE  79   9.461  -3.742   0.716
  605    HA   PHE  79           HA       PHE  79   7.962  -3.158   3.182
  606    HB2  PHE  79           HB2      PHE  79   8.061  -1.782   0.504
  607    HB3  PHE  79           HB1      PHE  79   6.768  -1.472   1.652
  608    HD1  PHE  79           HD2      PHE  79   9.411  -2.059   3.734
  609    HD2  PHE  79           HD1      PHE  79   8.096   0.818   0.884
  610    HE1  PHE  79           HE2      PHE  79  10.791  -0.350   4.831
  611    HE2  PHE  79           HE1      PHE  79   9.477   2.533   1.984
  612    HZ   PHE  79           HZ       PHE  79  10.825   1.949   3.961
  613    H    ILE  80           HN       ILE  80   7.977  -5.232   0.575
  614    HA   ILE  80           HA       ILE  80   5.149  -5.329   0.100
  615    HB   ILE  80           HB       ILE  80   6.620  -5.952  -1.711
  616   HG12  ILE  80          HG12      ILE  80   5.747  -8.343  -2.134
  617   HG13  ILE  80          HG11      ILE  80   4.933  -8.177  -0.582
  618   HG21  ILE  80          HG21      ILE  80   8.538  -6.762  -0.538
  619   HG22  ILE  80          HG22      ILE  80   7.965  -8.037  -1.610
  620   HG23  ILE  80          HG23      ILE  80   7.626  -8.120   0.117
  621   HD11  ILE  80          HD11      ILE  80   3.460  -7.662  -2.458
  622   HD12  ILE  80          HD12      ILE  80   4.544  -6.360  -2.950
  623   HD13  ILE  80          HD13      ILE  80   3.697  -6.269  -1.406
  624    H    ILE  81           HN       ILE  81   3.676  -6.322   1.284
  625    HA   ILE  81           HA       ILE  81   4.565  -8.501   3.058
  626    HB   ILE  81           HB       ILE  81   2.814  -7.914   4.645
  627   HG12  ILE  81          HG12      ILE  81   1.461  -6.705   2.721
  628   HG13  ILE  81          HG11      ILE  81   1.279  -6.218   4.400
  629   HG21  ILE  81          HG21      ILE  81   4.690  -5.654   3.975
  630   HG22  ILE  81          HG22      ILE  81   4.999  -7.025   5.043
  631   HG23  ILE  81          HG23      ILE  81   3.803  -5.809   5.494
  632   HD11  ILE  81          HD11      ILE  81   2.717  -4.331   4.060
  633   HD12  ILE  81          HD12      ILE  81   1.457  -4.331   2.827
  634   HD13  ILE  81          HD13      ILE  81   3.090  -4.860   2.420
  635    H    GLY  82           HN       GLY  82   2.390  -7.519   0.589
  636    HA2  GLY  82           HA2      GLY  82   1.493 -10.130   0.115
  637    HA3  GLY  82           HA1      GLY  82   0.267  -9.289   1.048
  638    H    GLU  83           HN       GLU  83  -0.727 -10.039  -1.144
  639    HA   GLU  83           HA       GLU  83  -0.655  -7.711  -2.947
  640    HB2  GLU  83           HB2      GLU  83  -0.802 -10.639  -3.676
  641    HB3  GLU  83           HB1      GLU  83  -1.252  -9.355  -4.788
  642    HG2  GLU  83           HG2      GLU  83   1.090  -8.425  -4.380
  643    HG3  GLU  83           HG1      GLU  83   1.449  -9.998  -3.668
  644    H    LEU  84           HN       LEU  84  -2.699  -7.758  -4.386
  645    HA   LEU  84           HA       LEU  84  -4.972  -7.940  -2.599
  646    HB2  LEU  84           HB2      LEU  84  -4.493  -6.754  -5.307
  647    HB3  LEU  84           HB1      LEU  84  -6.133  -7.029  -4.761
  648    HG   LEU  84           HG       LEU  84  -5.695  -4.785  -4.261
  649   HD11  LEU  84          HD11      LEU  84  -5.978  -4.641  -1.947
  650   HD12  LEU  84          HD12      LEU  84  -5.032  -6.098  -1.647
  651   HD13  LEU  84          HD13      LEU  84  -6.629  -6.219  -2.388
  652   HD21  LEU  84          HD21      LEU  84  -3.327  -4.711  -4.594
  653   HD22  LEU  84          HD22      LEU  84  -3.044  -5.694  -3.155
  654   HD23  LEU  84          HD23      LEU  84  -3.686  -4.056  -2.993
  655    H    HIS  85           HN       HIS  85  -6.810  -9.153  -2.965
  656    HA   HIS  85           HA       HIS  85  -6.468 -11.751  -3.958
  657    HB2  HIS  85           HB2      HIS  85  -8.838 -10.122  -3.110
  658    HB3  HIS  85           HB1      HIS  85  -9.102 -11.676  -3.891
  659    HD1  HIS  85           HD1      HIS  85 -10.136 -12.535  -1.632
  660    HD2  HIS  85           HD2      HIS  85  -6.119 -11.503  -1.444
  661    HE1  HIS  85           HE1      HIS  85  -9.282 -13.528   0.514
  662    HE2  HIS  85           HE2      HIS  85  -6.813 -13.035   0.519
  663    HA   PRO  86           HA       PRO  86  -7.062 -11.476  -8.328
  664    HB2  PRO  86           HB2      PRO  86  -8.606 -13.748  -8.711
  665    HB3  PRO  86           HB1      PRO  86  -6.842 -13.727  -8.609
  666    HG2  PRO  86           HG2      PRO  86  -8.836 -14.420  -6.509
  667    HG3  PRO  86           HG1      PRO  86  -7.245 -15.135  -6.840
  668    HD2  PRO  86           HD2      PRO  86  -7.621 -13.433  -4.801
  669    HD3  PRO  86           HD1      PRO  86  -6.108 -13.462  -5.728
  670    H    ASP  87           HN       ASP  87  -9.832 -12.016  -6.233
  671    HA   ASP  87           HA       ASP  87 -11.848 -11.407  -8.143
  672    HB2  ASP  87           HB2      ASP  87 -12.141 -10.982  -5.173
  673    HB3  ASP  87           HB1      ASP  87 -13.378 -11.444  -6.337
  674    H    ASP  88           HN       ASP  88  -9.971  -9.514  -5.874
  675    HA   ASP  88           HA       ASP  88 -11.438  -7.074  -6.429
  676    HB2  ASP  88           HB2      ASP  88  -8.946  -7.600  -4.786
  677    HB3  ASP  88           HB1      ASP  88  -9.739  -6.034  -4.917
  678    H    ARG  89           HN       ARG  89  -8.869  -8.808  -7.749
  679    HA   ARG  89           HA       ARG  89  -7.415  -6.558  -8.808
  680    HB2  ARG  89           HB2      ARG  89  -6.419  -8.792  -8.109
  681    HB3  ARG  89           HB1      ARG  89  -7.102  -9.452  -9.589
  682    HG2  ARG  89           HG2      ARG  89  -5.783  -7.927 -10.917
  683    HG3  ARG  89           HG1      ARG  89  -5.144  -7.170  -9.456
  684    HD2  ARG  89           HD2      ARG  89  -4.737 -10.033 -10.322
  685    HD3  ARG  89           HD1      ARG  89  -3.536  -8.743 -10.374
  686    HE   ARG  89           HE       ARG  89  -4.686  -9.417  -7.777
  687   HH11  ARG  89          HH11      ARG  89  -1.982  -9.630 -10.034
  688   HH12  ARG  89          HH12      ARG  89  -0.806 -10.097  -8.747
  689   HH21  ARG  89          HH21      ARG  89  -3.223 -10.001  -6.124
  690   HH22  ARG  89          HH22      ARG  89  -1.485 -10.299  -6.566
  691    H    SER  90           HN       SER  90  -9.127  -9.315 -10.339
  692    HA   SER  90           HA       SER  90  -9.958  -7.465 -12.455
  693    HB2  SER  90           HB2      SER  90  -8.705 -10.175 -12.962
  694    HB3  SER  90           HB1      SER  90  -9.382  -9.111 -14.195
  695    HG   SER  90           HG       SER  90  -7.385  -8.409 -14.261
  696    H    LYS  91           HN       LYS  91 -11.896  -7.696 -11.061
  697    HA   LYS  91           HA       LYS  91 -13.797  -9.394 -12.303
  698    HB2  LYS  91           HB2      LYS  91 -12.465 -10.452  -9.968
  699    HB3  LYS  91           HB1      LYS  91 -14.174 -10.210  -9.635
  700    HG2  LYS  91           HG2      LYS  91 -14.830 -11.689 -11.331
  701    HG3  LYS  91           HG1      LYS  91 -13.237 -11.662 -12.088
  702    HD2  LYS  91           HD2      LYS  91 -13.664 -12.719  -9.308
  703    HD3  LYS  91           HD1      LYS  91 -13.852 -13.738 -10.736
  704    HE2  LYS  91           HE2      LYS  91 -11.358 -12.129 -10.418
  705    HE3  LYS  91           HE1      LYS  91 -11.555 -13.605  -9.474
  706    HZ1  LYS  91           HZ1      LYS  91 -10.418 -13.796 -11.716
  707    HZ2  LYS  91           HZ2      LYS  91 -11.949 -13.582 -12.404
  708    HZ3  LYS  91           HZ3      LYS  91 -11.656 -14.903 -11.396
  709    H    LEU  92           HN       LEU  92 -13.322  -8.035  -9.041
  710    HA   LEU  92           HA       LEU  92 -14.428  -6.464  -7.851
  711    HB2  LEU  92           HB2      LEU  92 -14.848  -5.469 -10.642
  712    HB3  LEU  92           HB1      LEU  92 -15.691  -4.689  -9.319
  713    HG   LEU  92           HG       LEU  92 -13.733  -3.417  -9.757
  714   HD11  LEU  92          HD11      LEU  92 -12.641  -3.410  -7.657
  715   HD12  LEU  92          HD12      LEU  92 -13.026  -5.107  -7.372
  716   HD13  LEU  92          HD13      LEU  92 -14.310  -3.897  -7.364
  717   HD21  LEU  92          HD21      LEU  92 -12.161  -5.981  -9.532
  718   HD22  LEU  92          HD22      LEU  92 -11.480  -4.366  -9.739
  719   HD23  LEU  92          HD23      LEU  92 -12.474  -5.074 -11.012
  720    H    SER  93           HN       SER  93 -15.815  -8.952  -8.800
  721    HA   SER  93           HA       SER  93 -18.604  -8.190  -8.922
  722    HB2  SER  93           HB2      SER  93 -17.708 -11.021  -8.536
  723    HB3  SER  93           HB1      SER  93 -19.003 -10.387  -9.555
  724    HG   SER  93           HG       SER  93 -17.201  -9.416 -10.816
  725    H    LYS  94           HN       LYS  94 -17.899  -7.084  -6.707
  726    HA   LYS  94           HA       LYS  94 -18.877  -8.863  -4.585
  727    HB2  LYS  94           HB2      LYS  94 -16.515  -6.983  -4.408
  728    HB3  LYS  94           HB1      LYS  94 -17.257  -7.767  -3.019
  729    HG2  LYS  94           HG2      LYS  94 -16.556  -9.902  -3.723
  730    HG3  LYS  94           HG1      LYS  94 -16.151  -9.320  -5.338
  731    HD2  LYS  94           HD2      LYS  94 -14.137  -9.684  -4.019
  732    HD3  LYS  94           HD1      LYS  94 -14.340  -7.974  -4.399
  733    HE2  LYS  94           HE2      LYS  94 -15.211  -7.551  -2.174
  734    HE3  LYS  94           HE1      LYS  94 -15.121  -9.268  -1.787
  735    HZ1  LYS  94           HZ1      LYS  94 -13.245  -7.750  -0.991
  736    HZ2  LYS  94           HZ2      LYS  94 -12.715  -7.756  -2.604
  737    HZ3  LYS  94           HZ3      LYS  94 -12.814  -9.206  -1.739
  738    HA   PRO  95           HA       PRO  95 -21.558  -5.448  -3.714
  739    HB2  PRO  95           HB2      PRO  95 -22.340  -6.080  -1.211
  740    HB3  PRO  95           HB1      PRO  95 -22.842  -7.033  -2.614
  741    HG2  PRO  95           HG2      PRO  95 -20.709  -7.614  -0.614
  742    HG3  PRO  95           HG1      PRO  95 -21.881  -8.714  -1.368
  743    HD2  PRO  95           HD2      PRO  95 -19.274  -8.475  -2.169
  744    HD3  PRO  95           HD1      PRO  95 -20.594  -9.018  -3.220
  745    H    MET  96           HN       MET  96 -21.555  -3.445  -2.696
  746    HA   MET  96           HA       MET  96 -19.197  -2.918  -1.016
  747    HB2  MET  96           HB2      MET  96 -19.255  -1.685  -3.159
  748    HB3  MET  96           HB1      MET  96 -20.781  -0.956  -2.686
  749    HG2  MET  96           HG2      MET  96 -19.781   0.306  -0.982
  750    HG3  MET  96           HG1      MET  96 -18.301  -0.649  -1.034
  751    HE1  MET  96           HE1      MET  96 -19.539   2.179  -4.466
  752    HE2  MET  96           HE2      MET  96 -20.558   1.866  -3.061
  753    HE3  MET  96           HE3      MET  96 -20.233   0.577  -4.219
  754    H    GLU  97           HN       GLU  97 -22.445  -1.493  -1.466
  755    HA   GLU  97           HA       GLU  97 -24.013  -0.744  -0.011
  756    HB2  GLU  97           HB2      GLU  97 -23.874  -3.123   0.762
  757    HB3  GLU  97           HB1      GLU  97 -22.747  -2.598   2.003
  758    HG2  GLU  97           HG2      GLU  97 -24.382  -1.393   3.151
  759    HG3  GLU  97           HG1      GLU  97 -25.470  -1.378   1.761
  760    H    THR  98           HN       THR  98 -23.648   1.358   0.372
  761    HA   THR  98           HA       THR  98 -22.419   2.099   2.860
  762    HB   THR  98           HB       THR  98 -20.445   1.940   1.361
  763    HG1  THR  98           HG1      THR  98 -19.613   3.660   2.323
  764   HG21  THR  98          HG21      THR  98 -21.801   4.166  -0.165
  765   HG22  THR  98          HG22      THR  98 -21.523   2.526  -0.752
  766   HG23  THR  98          HG23      THR  98 -20.155   3.593  -0.433
  767    H    LEU  99           HN       LEU  99 -22.404   4.592   3.032
  768    HA   LEU  99           HA       LEU  99 -23.621   6.494   3.216
  769    HB2  LEU  99           HB2      LEU  99 -24.322   5.845   0.347
  770    HB3  LEU  99           HB1      LEU  99 -24.598   7.393   1.124
  771    HG   LEU  99           HG       LEU  99 -21.876   6.147   0.739
  772   HD11  LEU  99          HD11      LEU  99 -22.866   6.674  -1.410
  773   HD12  LEU  99          HD12      LEU  99 -21.570   7.810  -1.030
  774   HD13  LEU  99          HD13      LEU  99 -23.255   8.300  -0.852
  775   HD21  LEU  99          HD21      LEU  99 -21.927   7.663   2.614
  776   HD22  LEU  99          HD22      LEU  99 -22.746   8.889   1.645
  777   HD23  LEU  99          HD23      LEU  99 -21.085   8.431   1.267
  778    H    ILE 100           HN       ILE 100 -24.890   4.197   4.204
  779    HA   ILE 100           HA       ILE 100 -27.712   4.585   3.472
  780    HB   ILE 100           HB       ILE 100 -28.102   2.463   4.738
  781   HG12  ILE 100          HG12      ILE 100 -25.079   2.257   4.684
  782   HG13  ILE 100          HG11      ILE 100 -26.033   2.595   6.124
  783   HG21  ILE 100          HG21      ILE 100 -26.210   2.350   2.393
  784   HG22  ILE 100          HG22      ILE 100 -27.972   2.438   2.328
  785   HG23  ILE 100          HG23      ILE 100 -27.182   0.998   2.975
  786   HD11  ILE 100          HD11      ILE 100 -25.378   0.271   6.059
  787   HD12  ILE 100          HD12      ILE 100 -26.130   0.080   4.475
  788   HD13  ILE 100          HD13      ILE 100 -27.127   0.415   5.889
  789    H    THR 101           HN       THR 101 -25.837   6.105   5.438
  790    HA   THR 101           HA       THR 101 -27.835   6.246   7.576
  791    HB   THR 101           HB       THR 101 -24.907   6.336   8.256
  792    HG1  THR 101           HG1      THR 101 -26.594   4.030   8.345
  793   HG21  THR 101          HG21      THR 101 -25.713   5.789  10.493
  794   HG22  THR 101          HG22      THR 101 -27.368   5.686   9.890
  795   HG23  THR 101          HG23      THR 101 -26.520   7.234   9.884
  796    H    THR 102           HN       THR 102 -28.271   8.286   8.243
  797    HA   THR 102           HA       THR 102 -26.987  10.455   6.822
  798    HB   THR 102           HB       THR 102 -28.716  11.695   8.489
  799    HG1  THR 102           HG1      THR 102 -29.660  10.044   9.515
  800   HG21  THR 102          HG21      THR 102 -28.700  11.858   6.047
  801   HG22  THR 102          HG22      THR 102 -30.337  11.614   6.655
  802   HG23  THR 102          HG23      THR 102 -29.456  10.268   5.932
  803    H    VAL 103           HN       VAL 103 -24.914  10.574   7.711
  804    HA   VAL 103           HA       VAL 103 -24.684  11.014  10.590
  805    HB   VAL 103           HB       VAL 103 -22.216  11.008  10.152
  806   HG11  VAL 103          HG11      VAL 103 -23.782   8.583   9.288
  807   HG12  VAL 103          HG12      VAL 103 -23.324   9.015  10.935
  808   HG13  VAL 103          HG13      VAL 103 -22.082   8.579   9.761
  809   HG21  VAL 103          HG21      VAL 103 -21.419  10.135   8.007
  810   HG22  VAL 103          HG22      VAL 103 -22.240  11.683   7.813
  811   HG23  VAL 103          HG23      VAL 103 -23.064  10.186   7.375
  812    H    ASP 104           HN       ASP 104 -25.490  12.905   8.144
  813    HA   ASP 104           HA       ASP 104 -23.766  15.160   8.857
  814    HB2  ASP 104           HB2      ASP 104 -24.642  16.264   6.876
  815    HB3  ASP 104           HB1      ASP 104 -24.108  14.642   6.444
  816    HHB  HEM 400           HB       HEM 400  11.687   4.558  -1.675
  817    HHC  HEM 400           HC       HEM 400   5.464   4.805  -2.695
  818    HHD  HEM 400           HD       HEM 400   6.081  10.679  -5.012
  819    HMA  HEM 400          HMA1      HEM 400  14.071   4.965  -2.505
  820   HMAA  HEM 400          HMA2      HEM 400  13.807   5.660  -0.906
  821   HMAB  HEM 400          HMA3      HEM 400  14.976   6.391  -2.000
  822    HAA  HEM 400          HAA1      HEM 400  14.811   9.027  -2.353
  823   HAAA  HEM 400          HAA2      HEM 400  14.217   9.568  -3.913
  824    HBA  HEM 400          HBA1      HEM 400  15.087   6.798  -4.032
  825   HBAA  HEM 400          HBA2      HEM 400  16.374   7.855  -3.463
  826    HMB  HEM 400          HMB1      HEM 400  10.199   1.902  -1.825
  827   HMBA  HEM 400          HMB2      HEM 400   9.305   2.131  -0.315
  828   HMBB  HEM 400          HMB3      HEM 400  10.812   2.997  -0.605
  829    HAB  HEM 400           HAB      HEM 400   6.482   2.136  -2.374
  830    HBB  HEM 400          HBB1      HEM 400   6.728   3.078   0.596
  831   HBBA  HEM 400          HBB2      HEM 400   5.639   1.674  -0.137
  832    HMC  HEM 400          HMC1      HEM 400   2.803   6.797  -2.890
  833   HMCA  HEM 400          HMC2      HEM 400   3.666   5.341  -3.403
  834   HMCB  HEM 400          HMC3      HEM 400   2.900   6.393  -4.593
  835    HAC  HEM 400           HAC      HEM 400   3.838   9.812  -5.588
  836    HBC  HEM 400          HBC1      HEM 400   2.342   8.899  -2.995
  837   HBCA  HEM 400          HBC2      HEM 400   1.739  10.088  -4.374
  838    HMD  HEM 400          HMD1      HEM 400   6.886  12.655  -5.203
  839   HMDA  HEM 400          HMD2      HEM 400   7.877  12.618  -6.663
  840   HMDB  HEM 400          HMD3      HEM 400   8.368  13.589  -5.272
  841    HAD  HEM 400          HAD1      HEM 400  10.674  13.409  -4.623
  842   HADA  HEM 400          HAD2      HEM 400  11.951  12.211  -4.710
  843    HBD  HEM 400          HBD1      HEM 400  10.545  12.160  -7.193
  844   HBDA  HEM 400          HBD2      HEM 400  12.210  12.651  -6.885
  845    HHA  HEM 400           HA       HEM 400  12.362  10.326  -4.172
  Start of MODEL   18
    1    H1   MET   1           HT1      MET   1  21.907 -13.311  16.591
    2    H2   MET   1           HT2      MET   1  22.699 -13.473  18.078
    3    H3   MET   1           HT3      MET   1  21.865 -12.049  17.717
    4    HA   MET   1           HA       MET   1  20.662 -14.729  18.080
    5    HB2  MET   1           HB2      MET   1  21.448 -13.620  20.167
    6    HB3  MET   1           HB1      MET   1  20.421 -12.244  19.792
    7    HG2  MET   1           HG2      MET   1  18.449 -13.688  19.909
    8    HG3  MET   1           HG1      MET   1  19.483 -15.058  20.304
    9    HE1  MET   1           HE1      MET   1  21.602 -13.938  22.316
   10    HE2  MET   1           HE2      MET   1  20.684 -15.417  22.590
   11    HE3  MET   1           HE3      MET   1  20.787 -14.195  23.856
   12    H    ALA   2           HN       ALA   2  19.903 -11.241  17.875
   13    HA   ALA   2           HA       ALA   2  17.282 -11.884  16.793
   14    HB1  ALA   2           HB1      ALA   2  17.402 -10.145  18.479
   15    HB2  ALA   2           HB2      ALA   2  16.876  -9.459  16.940
   16    HB3  ALA   2           HB3      ALA   2  18.538  -9.231  17.487
   17    H    ALA   3           HN       ALA   3  17.672 -12.663  14.741
   18    HA   ALA   3           HA       ALA   3  18.261 -10.655  12.739
   19    HB1  ALA   3           HB1      ALA   3  20.486 -11.447  13.120
   20    HB2  ALA   3           HB2      ALA   3  19.925 -12.136  11.598
   21    HB3  ALA   3           HB3      ALA   3  19.955 -13.126  13.056
   22    H    GLN   4           HN       GLN   4  17.014 -10.938  11.000
   23    HA   GLN   4           HA       GLN   4  16.177 -13.527  10.094
   24    HB2  GLN   4           HB2      GLN   4  13.745 -13.068  10.302
   25    HB3  GLN   4           HB1      GLN   4  14.545 -13.277  11.851
   26    HG2  GLN   4           HG2      GLN   4  14.601 -10.835  12.130
   27    HG3  GLN   4           HG1      GLN   4  13.734 -10.662  10.602
   28   HE21  GLN   4          HE21      GLN   4  11.556 -11.235  10.500
   29   HE22  GLN   4          HE22      GLN   4  10.603 -11.479  11.923
   30    H    SER   5           HN       SER   5  15.302 -13.464   8.011
   31    HA   SER   5           HA       SER   5  14.813 -10.898   6.749
   32    HB2  SER   5           HB2      SER   5  17.003 -12.735   5.739
   33    HB3  SER   5           HB1      SER   5  16.467 -11.241   4.969
   34    HG   SER   5           HG       SER   5  17.030 -10.624   7.463
   35    H    ASP   6           HN       ASP   6  13.224 -13.168   7.399
   36    HA   ASP   6           HA       ASP   6  12.832 -14.792   5.085
   37    HB2  ASP   6           HB2      ASP   6  11.800 -14.654   7.764
   38    HB3  ASP   6           HB1      ASP   6  10.471 -14.806   6.620
   39    H    LYS   7           HN       LYS   7  11.406 -14.597   3.453
   40    HA   LYS   7           HA       LYS   7   9.822 -12.114   3.342
   41    HB2  LYS   7           HB2      LYS   7  10.834 -13.704   0.980
   42    HB3  LYS   7           HB1      LYS   7  10.112 -12.106   0.955
   43    HG2  LYS   7           HG2      LYS   7  12.702 -12.680   2.357
   44    HG3  LYS   7           HG1      LYS   7  12.619 -12.227   0.653
   45    HD2  LYS   7           HD2      LYS   7  11.481 -10.146   1.270
   46    HD3  LYS   7           HD1      LYS   7  11.573 -10.607   2.973
   47    HE2  LYS   7           HE2      LYS   7  13.721  -9.987   3.143
   48    HE3  LYS   7           HE1      LYS   7  14.145 -10.719   1.594
   49    HZ1  LYS   7           HZ1      LYS   7  12.857  -8.071   1.985
   50    HZ2  LYS   7           HZ2      LYS   7  13.209  -8.771   0.485
   51    HZ3  LYS   7           HZ3      LYS   7  14.465  -8.340   1.535
   52    H    ASP   8           HN       ASP   8   7.655 -12.285   2.829
   53    HA   ASP   8           HA       ASP   8   6.614 -14.838   1.920
   54    HB2  ASP   8           HB2      ASP   8   6.604 -15.169   4.326
   55    HB3  ASP   8           HB1      ASP   8   5.798 -13.620   4.568
   56    H    VAL   9           HN       VAL   9   4.717 -14.667   0.811
   57    HA   VAL   9           HA       VAL   9   3.660 -11.942   0.537
   58    HB   VAL   9           HB       VAL   9   4.577 -12.636  -1.556
   59   HG11  VAL   9          HG11      VAL   9   3.850 -14.667  -2.730
   60   HG12  VAL   9          HG12      VAL   9   2.920 -15.141  -1.309
   61   HG13  VAL   9          HG13      VAL   9   4.678 -15.029  -1.216
   62   HG21  VAL   9          HG21      VAL   9   2.524 -11.412  -1.769
   63   HG22  VAL   9          HG22      VAL   9   1.576 -12.886  -1.582
   64   HG23  VAL   9          HG23      VAL   9   2.576 -12.657  -3.016
   65    H    LYS  10           HN       LYS  10   1.853 -11.671   1.620
   66    HA   LYS  10           HA       LYS  10  -0.030 -13.918   1.850
   67    HB2  LYS  10           HB2      LYS  10   0.925 -12.823   3.930
   68    HB3  LYS  10           HB1      LYS  10   0.023 -11.383   3.488
   69    HG2  LYS  10           HG2      LYS  10  -2.066 -12.566   3.714
   70    HG3  LYS  10           HG1      LYS  10  -1.210 -14.080   4.018
   71    HD2  LYS  10           HD2      LYS  10  -1.022 -11.617   5.754
   72    HD3  LYS  10           HD1      LYS  10  -2.066 -12.997   6.085
   73    HE2  LYS  10           HE2      LYS  10   0.940 -13.096   5.864
   74    HE3  LYS  10           HE1      LYS  10   0.030 -13.078   7.371
   75    HZ1  LYS  10           HZ1      LYS  10  -0.158 -15.181   5.291
   76    HZ2  LYS  10           HZ2      LYS  10  -0.977 -15.170   6.767
   77    HZ3  LYS  10           HZ3      LYS  10   0.706 -15.315   6.736
   78    H    TYR  11           HN       TYR  11  -1.993 -13.771   0.910
   79    HA   TYR  11           HA       TYR  11  -2.541 -11.415  -0.691
   80    HB2  TYR  11           HB2      TYR  11  -3.767 -14.149  -0.504
   81    HB3  TYR  11           HB1      TYR  11  -4.609 -12.850  -1.337
   82    HD1  TYR  11           HD2      TYR  11  -1.018 -13.885  -1.244
   83    HD2  TYR  11           HD1      TYR  11  -4.476 -13.194  -3.625
   84    HE1  TYR  11           HE2      TYR  11   0.288 -14.367  -3.264
   85    HE2  TYR  11           HE1      TYR  11  -3.175 -13.679  -5.658
   86    HH   TYR  11           HH       TYR  11  -0.077 -15.104  -5.544
   87    H    TYR  12           HN       TYR  12  -3.245  -9.774   0.513
   88    HA   TYR  12           HA       TYR  12  -5.150 -10.197   2.662
   89    HB2  TYR  12           HB2      TYR  12  -3.960  -7.628   1.593
   90    HB3  TYR  12           HB1      TYR  12  -4.928  -7.786   3.052
   91    HD1  TYR  12           HD2      TYR  12  -4.009  -9.040   5.008
   92    HD2  TYR  12           HD1      TYR  12  -1.638  -8.097   1.598
   93    HE1  TYR  12           HE2      TYR  12  -1.969  -9.456   6.316
   94    HE2  TYR  12           HE1      TYR  12   0.404  -8.508   2.898
   95    HH   TYR  12           HH       TYR  12   1.183  -8.654   5.099
   96    H    THR  13           HN       THR  13  -7.153  -8.996   2.774
   97    HA   THR  13           HA       THR  13  -8.512  -8.948   0.212
   98    HB   THR  13           HB       THR  13 -10.344  -8.203   2.161
   99    HG1  THR  13           HG1      THR  13  -9.522 -10.308   3.517
  100   HG21  THR  13          HG21      THR  13 -11.150 -10.524   1.954
  101   HG22  THR  13          HG22      THR  13  -9.635 -10.972   1.174
  102   HG23  THR  13          HG23      THR  13 -10.731  -9.836   0.386
  103    H    LEU  14           HN       LEU  14  -9.712  -7.135  -0.518
  104    HA   LEU  14           HA       LEU  14  -8.366  -4.673  -0.312
  105    HB2  LEU  14           HB2      LEU  14  -9.757  -5.461  -2.238
  106    HB3  LEU  14           HB1      LEU  14 -11.187  -5.139  -1.278
  107    HG   LEU  14           HG       LEU  14 -10.206  -2.725  -1.108
  108   HD11  LEU  14          HD11      LEU  14  -8.892  -2.028  -2.979
  109   HD12  LEU  14          HD12      LEU  14  -8.933  -3.646  -3.677
  110   HD13  LEU  14          HD13      LEU  14  -8.055  -3.355  -2.175
  111   HD21  LEU  14          HD21      LEU  14 -11.398  -2.122  -3.177
  112   HD22  LEU  14          HD22      LEU  14 -12.303  -3.261  -2.180
  113   HD23  LEU  14          HD23      LEU  14 -11.457  -3.828  -3.619
  114    H    GLU  15           HN       GLU  15 -11.213  -5.957   1.281
  115    HA   GLU  15           HA       GLU  15 -11.931  -3.466   2.516
  116    HB2  GLU  15           HB2      GLU  15 -13.403  -5.077   3.934
  117    HB3  GLU  15           HB1      GLU  15 -13.778  -4.821   2.239
  118    HG2  GLU  15           HG2      GLU  15 -12.061  -7.119   3.083
  119    HG3  GLU  15           HG1      GLU  15 -13.819  -7.215   3.188
  120    H    GLU  16           HN       GLU  16  -9.377  -5.428   3.090
  121    HA   GLU  16           HA       GLU  16  -9.430  -4.892   5.983
  122    HB2  GLU  16           HB2      GLU  16  -9.170  -7.295   5.186
  123    HB3  GLU  16           HB1      GLU  16  -7.580  -6.827   4.595
  124    HG2  GLU  16           HG2      GLU  16  -7.629  -7.927   6.852
  125    HG3  GLU  16           HG1      GLU  16  -6.790  -6.378   6.770
  126    H    ILE  17           HN       ILE  17  -7.423  -4.639   3.070
  127    HA   ILE  17           HA       ILE  17  -5.177  -3.507   4.332
  128    HB   ILE  17           HB       ILE  17  -4.717  -2.497   2.005
  129   HG12  ILE  17          HG12      ILE  17  -6.039  -4.111   0.317
  130   HG13  ILE  17          HG11      ILE  17  -7.287  -3.919   1.543
  131   HG21  ILE  17          HG21      ILE  17  -4.039  -4.710   1.131
  132   HG22  ILE  17          HG22      ILE  17  -4.958  -5.464   2.433
  133   HG23  ILE  17          HG23      ILE  17  -3.572  -4.442   2.810
  134   HD11  ILE  17          HD11      ILE  17  -7.290  -2.319  -0.437
  135   HD12  ILE  17          HD12      ILE  17  -5.908  -1.551   0.343
  136   HD13  ILE  17          HD13      ILE  17  -7.459  -1.630   1.175
  137    H    LYS  18           HN       LYS  18  -8.123  -2.049   3.055
  138    HA   LYS  18           HA       LYS  18  -7.130   0.617   3.672
  139    HB2  LYS  18           HB2      LYS  18  -9.194   1.438   2.662
  140    HB3  LYS  18           HB1      LYS  18  -8.385   0.304   1.590
  141    HG2  LYS  18           HG2      LYS  18 -10.206  -0.945   1.479
  142    HG3  LYS  18           HG1      LYS  18 -10.231  -1.127   3.234
  143    HD2  LYS  18           HD2      LYS  18 -12.318  -0.163   2.429
  144    HD3  LYS  18           HD1      LYS  18 -11.439   0.991   3.433
  145    HE2  LYS  18           HE2      LYS  18 -10.526   1.984   1.306
  146    HE3  LYS  18           HE1      LYS  18 -11.654   0.956   0.427
  147    HZ1  LYS  18           HZ1      LYS  18 -12.518   2.860   2.519
  148    HZ2  LYS  18           HZ2      LYS  18 -13.480   2.065   1.382
  149    HZ3  LYS  18           HZ3      LYS  18 -12.416   3.281   0.885
  150    H    LYS  19           HN       LYS  19  -7.931  -1.604   5.627
  151    HA   LYS  19           HA       LYS  19  -9.721   0.047   7.290
  152    HB2  LYS  19           HB2      LYS  19 -10.510  -2.279   6.490
  153    HB3  LYS  19           HB1      LYS  19  -9.327  -2.923   7.615
  154    HG2  LYS  19           HG2      LYS  19 -11.466  -2.935   8.672
  155    HG3  LYS  19           HG1      LYS  19 -10.474  -1.696   9.442
  156    HD2  LYS  19           HD2      LYS  19 -12.663  -0.790   9.122
  157    HD3  LYS  19           HD1      LYS  19 -11.581  -0.003   7.974
  158    HE2  LYS  19           HE2      LYS  19 -13.670  -0.572   6.893
  159    HE3  LYS  19           HE1      LYS  19 -12.360  -1.536   6.214
  160    HZ1  LYS  19           HZ1      LYS  19 -14.290  -2.898   6.594
  161    HZ2  LYS  19           HZ2      LYS  19 -14.356  -2.444   8.217
  162    HZ3  LYS  19           HZ3      LYS  19 -13.066  -3.378   7.653
  163    H    HIS  20           HN       HIS  20  -6.632  -0.806   6.837
  164    HA   HIS  20           HA       HIS  20  -5.984  -0.812   9.710
  165    HB2  HIS  20           HB2      HIS  20  -4.876  -2.267   7.395
  166    HB3  HIS  20           HB1      HIS  20  -3.675  -1.609   8.501
  167    HD1  HIS  20           HD1      HIS  20  -6.611  -4.016   8.449
  168    HD2  HIS  20           HD2      HIS  20  -3.379  -2.982  10.865
  169    HE1  HIS  20           HE1      HIS  20  -6.523  -5.760  10.256
  170    HE2  HIS  20           HE2      HIS  20  -4.637  -5.055  11.767
  171    H    ASN  21           HN       ASN  21  -6.085   1.154   7.082
  172    HA   ASN  21           HA       ASN  21  -3.569   2.492   7.308
  173    HB2  ASN  21           HB2      ASN  21  -4.621   4.196   5.808
  174    HB3  ASN  21           HB1      ASN  21  -4.686   2.556   5.179
  175   HD21  ASN  21          HD21      ASN  21  -6.331   4.676   4.318
  176   HD22  ASN  21          HD22      ASN  21  -7.966   4.291   4.729
  177    H    HIS  22           HN       HIS  22  -3.488   2.918   9.570
  178    HA   HIS  22           HA       HIS  22  -5.044   5.300  10.312
  179    HB2  HIS  22           HB2      HIS  22  -4.417   2.892  12.008
  180    HB3  HIS  22           HB1      HIS  22  -4.877   4.438  12.710
  181    HD1  HIS  22           HD1      HIS  22  -7.335   5.115  12.566
  182    HD2  HIS  22           HD2      HIS  22  -6.490   1.534  10.636
  183    HE1  HIS  22           HE1      HIS  22  -9.564   4.100  12.025
  184    HE2  HIS  22           HE2      HIS  22  -9.025   2.059  10.658
  185    H    SER  23           HN       SER  23  -2.483   3.622  12.110
  186    HA   SER  23           HA       SER  23  -0.682   5.864  11.568
  187    HB2  SER  23           HB2      SER  23  -0.198   5.734  14.155
  188    HB3  SER  23           HB1      SER  23  -1.550   6.693  13.548
  189    HG   SER  23           HG       SER  23  -2.539   5.480  15.018
  190    H    LYS  24           HN       LYS  24  -1.020   2.765  13.301
  191    HA   LYS  24           HA       LYS  24   1.837   2.281  12.840
  192    HB2  LYS  24           HB2      LYS  24   1.470   0.373  14.490
  193    HB3  LYS  24           HB1      LYS  24   1.358   2.010  15.122
  194    HG2  LYS  24           HG2      LYS  24  -1.237   1.359  14.350
  195    HG3  LYS  24           HG1      LYS  24  -0.604  -0.095  15.121
  196    HD2  LYS  24           HD2      LYS  24  -0.511   2.674  16.312
  197    HD3  LYS  24           HD1      LYS  24  -1.718   1.450  16.706
  198    HE2  LYS  24           HE2      LYS  24  -0.130   0.054  17.726
  199    HE3  LYS  24           HE1      LYS  24   1.224   0.918  17.000
  200    HZ1  LYS  24           HZ1      LYS  24   0.743   2.808  18.400
  201    HZ2  LYS  24           HZ2      LYS  24   0.950   1.432  19.358
  202    HZ3  LYS  24           HZ3      LYS  24  -0.601   2.029  19.062
  203    H    SER  25           HN       SER  25  -0.705   1.782  11.050
  204    HA   SER  25           HA       SER  25   0.373  -0.689   9.943
  205    HB2  SER  25           HB2      SER  25  -2.578  -0.372  10.554
  206    HB3  SER  25           HB1      SER  25  -1.820  -1.752   9.761
  207    HG   SER  25           HG       SER  25  -0.482  -1.666  11.876
  208    H    THR  26           HN       THR  26   0.381   2.115   9.215
  209    HA   THR  26           HA       THR  26  -1.475   2.585   7.098
  210    HB   THR  26           HB       THR  26   1.155   3.995   7.251
  211    HG1  THR  26           HG1      THR  26   0.781   4.180   9.352
  212   HG21  THR  26          HG21      THR  26  -0.239   5.951   6.790
  213   HG22  THR  26          HG22      THR  26  -1.689   4.951   6.892
  214   HG23  THR  26          HG23      THR  26  -0.521   4.684   5.596
  215    H    TRP  27           HN       TRP  27  -1.389   0.957   5.592
  216    HA   TRP  27           HA       TRP  27   1.184   0.417   4.293
  217    HB2  TRP  27           HB2      TRP  27  -1.422  -1.117   4.238
  218    HB3  TRP  27           HB1      TRP  27   0.012  -1.563   3.321
  219    HD1  TRP  27           HD1      TRP  27   1.792  -0.661   6.139
  220    HE1  TRP  27           HE1      TRP  27   2.032  -2.527   7.887
  221    HE3  TRP  27           HE3      TRP  27  -2.007  -3.711   4.592
  222    HZ2  TRP  27           HZ2      TRP  27   0.773  -4.968   8.531
  223    HZ3  TRP  27           HZ3      TRP  27  -2.419  -5.799   5.828
  224    HH2  TRP  27           HH2      TRP  27  -1.055  -6.413   7.758
  225    H    LEU  28           HN       LEU  28   1.421   0.529   2.069
  226    HA   LEU  28           HA       LEU  28  -0.720   1.961   0.632
  227    HB2  LEU  28           HB2      LEU  28   2.252   2.345   0.596
  228    HB3  LEU  28           HB1      LEU  28   1.302   2.755  -0.819
  229    HG   LEU  28           HG       LEU  28  -0.025   4.006   1.296
  230   HD11  LEU  28          HD11      LEU  28   1.714   5.323   2.386
  231   HD12  LEU  28          HD12      LEU  28   2.954   4.382   1.555
  232   HD13  LEU  28          HD13      LEU  28   1.901   3.605   2.735
  233   HD21  LEU  28          HD21      LEU  28   0.764   6.057   0.225
  234   HD22  LEU  28          HD22      LEU  28   0.242   4.868  -0.969
  235   HD23  LEU  28          HD23      LEU  28   1.962   5.128  -0.676
  236    H    ILE  29           HN       ILE  29  -1.044   1.374  -1.556
  237    HA   ILE  29           HA       ILE  29   0.105  -1.254  -2.229
  238    HB   ILE  29           HB       ILE  29  -2.524  -0.091  -3.161
  239   HG12  ILE  29          HG12      ILE  29  -2.093  -2.362  -1.220
  240   HG13  ILE  29          HG11      ILE  29  -2.371  -0.703  -0.705
  241   HG21  ILE  29          HG21      ILE  29  -2.969  -2.349  -3.997
  242   HG22  ILE  29          HG22      ILE  29  -1.349  -2.846  -3.506
  243   HG23  ILE  29          HG23      ILE  29  -1.554  -1.633  -4.770
  244   HD11  ILE  29          HD11      ILE  29  -4.272  -2.224  -2.458
  245   HD12  ILE  29          HD12      ILE  29  -4.551  -0.696  -1.619
  246   HD13  ILE  29          HD13      ILE  29  -4.373  -2.191  -0.699
  247    H    LEU  30           HN       LEU  30   1.339  -1.383  -3.949
  248    HA   LEU  30           HA       LEU  30   1.061   0.614  -6.091
  249    HB2  LEU  30           HB2      LEU  30   3.701  -0.394  -5.023
  250    HB3  LEU  30           HB1      LEU  30   3.472   0.780  -6.304
  251    HG   LEU  30           HG       LEU  30   2.572   1.270  -3.473
  252   HD11  LEU  30          HD11      LEU  30   4.615   2.535  -3.153
  253   HD12  LEU  30          HD12      LEU  30   5.175   2.074  -4.761
  254   HD13  LEU  30          HD13      LEU  30   4.983   0.847  -3.507
  255   HD21  LEU  30          HD21      LEU  30   3.094   3.098  -5.815
  256   HD22  LEU  30          HD22      LEU  30   2.660   3.620  -4.189
  257   HD23  LEU  30          HD23      LEU  30   1.518   2.678  -5.144
  258    H    HIS  31           HN       HIS  31   0.716  -0.377  -7.955
  259    HA   HIS  31           HA       HIS  31   0.665  -1.932  -9.607
  260    HB2  HIS  31           HB2      HIS  31   3.166  -2.881  -8.204
  261    HB3  HIS  31           HB1      HIS  31   2.550  -3.652  -9.659
  262    HD1  HIS  31           HD1      HIS  31   2.507  -2.113 -11.844
  263    HD2  HIS  31           HD2      HIS  31   4.678  -0.639  -8.621
  264    HE1  HIS  31           HE1      HIS  31   3.966  -0.295 -12.786
  265    HE2  HIS  31           HE2      HIS  31   5.408   0.436 -10.860
  266    H    HIS  32           HN       HIS  32  -0.812  -2.235  -7.193
  267    HA   HIS  32           HA       HIS  32  -2.295  -3.665  -6.276
  268    HB2  HIS  32           HB2      HIS  32  -1.334  -5.589  -8.406
  269    HB3  HIS  32           HB1      HIS  32  -2.724  -5.861  -7.357
  270    HD1  HIS  32           HD1      HIS  32  -2.463  -5.290 -10.631
  271    HD2  HIS  32           HD2      HIS  32  -4.148  -2.928  -7.656
  272    HE1  HIS  32           HE1      HIS  32  -4.080  -3.769 -11.807
  273    HE2  HIS  32           HE2      HIS  32  -4.921  -2.215 -10.013
  274    H    LYS  33           HN       LYS  33   0.679  -3.624  -5.624
  275    HA   LYS  33           HA       LYS  33   0.795  -6.120  -4.060
  276    HB2  LYS  33           HB2      LYS  33   3.140  -4.283  -4.504
  277    HB3  LYS  33           HB1      LYS  33   3.145  -5.989  -4.082
  278    HG2  LYS  33           HG2      LYS  33   1.905  -5.424  -6.665
  279    HG3  LYS  33           HG1      LYS  33   3.605  -4.966  -6.569
  280    HD2  LYS  33           HD2      LYS  33   4.197  -7.207  -5.851
  281    HD3  LYS  33           HD1      LYS  33   2.496  -7.674  -5.845
  282    HE2  LYS  33           HE2      LYS  33   2.367  -7.301  -8.243
  283    HE3  LYS  33           HE1      LYS  33   4.050  -6.774  -8.267
  284    HZ1  LYS  33           HZ1      LYS  33   3.282  -9.460  -7.285
  285    HZ2  LYS  33           HZ2      LYS  33   4.796  -8.922  -7.817
  286    HZ3  LYS  33           HZ3      LYS  33   3.551  -9.162  -8.932
  287    H    VAL  34           HN       VAL  34   1.086  -5.978  -1.834
  288    HA   VAL  34           HA       VAL  34   0.449  -3.365  -0.696
  289    HB   VAL  34           HB       VAL  34   0.654  -5.974   0.804
  290   HG11  VAL  34          HG11      VAL  34  -0.865  -4.867   2.375
  291   HG12  VAL  34          HG12      VAL  34  -0.834  -3.412   1.376
  292   HG13  VAL  34          HG13      VAL  34   0.638  -3.964   2.180
  293   HG21  VAL  34          HG21      VAL  34  -0.927  -6.277  -1.022
  294   HG22  VAL  34          HG22      VAL  34  -1.774  -4.805  -0.550
  295   HG23  VAL  34          HG23      VAL  34  -1.770  -6.203   0.525
  296    H    TYR  35           HN       TYR  35   1.940  -2.105   0.196
  297    HA   TYR  35           HA       TYR  35   4.464  -3.341   1.082
  298    HB2  TYR  35           HB2      TYR  35   4.022  -0.624  -0.172
  299    HB3  TYR  35           HB1      TYR  35   5.551  -1.169   0.511
  300    HD1  TYR  35           HD2      TYR  35   6.733  -3.113  -0.540
  301    HD2  TYR  35           HD1      TYR  35   3.362  -1.263  -2.363
  302    HE1  TYR  35           HE2      TYR  35   7.336  -4.143  -2.690
  303    HE2  TYR  35           HE1      TYR  35   3.957  -2.295  -4.514
  304    HH   TYR  35           HH       TYR  35   5.941  -3.204  -5.636
  305    H    ASP  36           HN       ASP  36   5.098  -2.979   3.097
  306    HA   ASP  36           HA       ASP  36   3.469  -1.198   4.759
  307    HB2  ASP  36           HB2      ASP  36   3.540  -3.326   5.756
  308    HB3  ASP  36           HB1      ASP  36   5.246  -3.544   5.382
  309    H    LEU  37           HN       LEU  37   4.222   0.741   5.100
  310    HA   LEU  37           HA       LEU  37   7.023   1.116   5.799
  311    HB2  LEU  37           HB2      LEU  37   7.263   3.045   4.313
  312    HB3  LEU  37           HB1      LEU  37   7.002   1.566   3.411
  313    HG   LEU  37           HG       LEU  37   4.616   3.239   4.009
  314   HD11  LEU  37          HD11      LEU  37   6.686   3.953   1.937
  315   HD12  LEU  37          HD12      LEU  37   6.228   4.917   3.341
  316   HD13  LEU  37          HD13      LEU  37   5.066   4.645   2.041
  317   HD21  LEU  37          HD21      LEU  37   3.948   2.454   1.811
  318   HD22  LEU  37          HD22      LEU  37   4.438   1.095   2.823
  319   HD23  LEU  37          HD23      LEU  37   5.527   1.705   1.575
  320    H    THR  38           HN       THR  38   4.579   1.039   7.236
  321    HA   THR  38           HA       THR  38   3.498   3.573   7.768
  322    HB   THR  38           HB       THR  38   2.553   1.298   8.410
  323    HG1  THR  38           HG1      THR  38   2.561   3.177  10.546
  324   HG21  THR  38          HG21      THR  38   4.357   1.688  10.809
  325   HG22  THR  38          HG22      THR  38   4.523   0.426   9.585
  326   HG23  THR  38          HG23      THR  38   3.110   0.454  10.640
  327    H    LYS  39           HN       LYS  39   6.509   2.201   8.664
  328    HA   LYS  39           HA       LYS  39   6.868   4.195  10.784
  329    HB2  LYS  39           HB2      LYS  39   7.844   1.490  10.376
  330    HB3  LYS  39           HB1      LYS  39   9.161   2.609  10.696
  331    HG2  LYS  39           HG2      LYS  39   6.710   2.354  12.421
  332    HG3  LYS  39           HG1      LYS  39   8.238   1.518  12.725
  333    HD2  LYS  39           HD2      LYS  39   9.371   3.531  13.140
  334    HD3  LYS  39           HD1      LYS  39   8.093   4.498  12.406
  335    HE2  LYS  39           HE2      LYS  39   6.586   3.707  14.263
  336    HE3  LYS  39           HE1      LYS  39   8.024   3.038  15.033
  337    HZ1  LYS  39           HZ1      LYS  39   8.987   5.217  15.128
  338    HZ2  LYS  39           HZ2      LYS  39   7.455   5.270  15.839
  339    HZ3  LYS  39           HZ3      LYS  39   7.684   5.888  14.286
  340    H    PHE  40           HN       PHE  40   7.179   4.162   7.592
  341    HA   PHE  40           HA       PHE  40   9.659   5.764   7.655
  342    HB2  PHE  40           HB2      PHE  40   8.703   3.818   5.555
  343    HB3  PHE  40           HB1      PHE  40   9.939   5.025   5.229
  344    HD1  PHE  40           HD2      PHE  40  12.138   4.852   6.240
  345    HD2  PHE  40           HD1      PHE  40   9.149   1.909   6.943
  346    HE1  PHE  40           HE2      PHE  40  13.856   3.321   7.112
  347    HE2  PHE  40           HE1      PHE  40  10.858   0.373   7.814
  348    HZ   PHE  40           HZ       PHE  40  13.215   1.078   7.903
  349    H    LEU  41           HN       LEU  41   6.553   6.153   7.628
  350    HA   LEU  41           HA       LEU  41   5.829   7.511   5.296
  351    HB2  LEU  41           HB2      LEU  41   4.867   8.042   8.107
  352    HB3  LEU  41           HB1      LEU  41   4.057   8.528   6.634
  353    HG   LEU  41           HG       LEU  41   4.530   5.649   7.396
  354   HD11  LEU  41          HD11      LEU  41   3.098   6.745   9.047
  355   HD12  LEU  41          HD12      LEU  41   2.191   5.594   8.064
  356   HD13  LEU  41          HD13      LEU  41   2.049   7.325   7.754
  357   HD21  LEU  41          HD21      LEU  41   2.686   6.897   5.364
  358   HD22  LEU  41          HD22      LEU  41   2.891   5.174   5.683
  359   HD23  LEU  41          HD23      LEU  41   4.220   6.108   4.998
  360    H    GLU  42           HN       GLU  42   7.069   8.800   8.370
  361    HA   GLU  42           HA       GLU  42   7.271  11.467   7.312
  362    HB2  GLU  42           HB2      GLU  42   8.251  12.018   9.502
  363    HB3  GLU  42           HB1      GLU  42   6.724  11.166   9.653
  364    HG2  GLU  42           HG2      GLU  42   7.877   9.110  10.180
  365    HG3  GLU  42           HG1      GLU  42   9.436   9.895   9.921
  366    H    GLU  43           HN       GLU  43   9.053   8.852   6.685
  367    HA   GLU  43           HA       GLU  43  11.609  10.310   6.660
  368    HB2  GLU  43           HB2      GLU  43  11.098   7.335   6.456
  369    HB3  GLU  43           HB1      GLU  43  12.680   8.104   6.435
  370    HG2  GLU  43           HG2      GLU  43  11.534   9.075   8.745
  371    HG3  GLU  43           HG1      GLU  43  10.977   7.403   8.678
  372    H    HIS  44           HN       HIS  44   9.101   9.900   4.770
  373    HA   HIS  44           HA       HIS  44  10.468   9.125   2.322
  374    HB2  HIS  44           HB2      HIS  44   8.213   8.258   2.743
  375    HB3  HIS  44           HB1      HIS  44   7.591   9.900   2.851
  376    HD1  HIS  44           HD1      HIS  44   6.930  11.025   0.671
  377    HD2  HIS  44           HD2      HIS  44   9.025   7.476   0.111
  378    HE1  HIS  44           HE1      HIS  44   6.804  10.509  -1.801
  379    HA   PRO  45           HA       PRO  45  11.532  13.333   1.345
  380    HB2  PRO  45           HB2      PRO  45  11.852  12.975  -1.362
  381    HB3  PRO  45           HB1      PRO  45  13.077  12.556  -0.157
  382    HG2  PRO  45           HG2      PRO  45  11.109  10.788  -1.526
  383    HG3  PRO  45           HG1      PRO  45  12.813  10.482  -1.139
  384    HD2  PRO  45           HD2      PRO  45  10.837   9.435   0.335
  385    HD3  PRO  45           HD1      PRO  45  12.365   9.972   1.067
  386    H    GLY  46           HN       GLY  46   9.872  14.712   1.497
  387    HA2  GLY  46           HA2      GLY  46   8.486  16.117  -0.018
  388    HA3  GLY  46           HA1      GLY  46   7.789  14.608  -0.594
  389    H    GLY  47           HN       GLY  47   8.043  13.678   2.342
  390    HA2  GLY  47           HA2      GLY  47   6.893  14.320   4.378
  391    HA3  GLY  47           HA1      GLY  47   5.736  15.194   3.384
  392    H    GLU  48           HN       GLU  48   4.624  13.630   5.171
  393    HA   GLU  48           HA       GLU  48   4.104  11.036   3.920
  394    HB2  GLU  48           HB2      GLU  48   3.333  10.266   5.972
  395    HB3  GLU  48           HB1      GLU  48   4.612  11.373   6.441
  396    HG2  GLU  48           HG2      GLU  48   1.968  12.605   6.245
  397    HG3  GLU  48           HG1      GLU  48   2.096  11.346   7.471
  398    H    GLU  49           HN       GLU  49   2.891  14.082   3.735
  399    HA   GLU  49           HA       GLU  49   0.129  13.842   3.991
  400    HB2  GLU  49           HB2      GLU  49   1.356  15.975   3.647
  401    HB3  GLU  49           HB1      GLU  49   1.617  15.523   1.969
  402    HG2  GLU  49           HG2      GLU  49  -0.206  17.030   2.018
  403    HG3  GLU  49           HG1      GLU  49  -0.857  15.426   1.684
  404    H    VAL  50           HN       VAL  50   2.122  13.384   1.073
  405    HA   VAL  50           HA       VAL  50  -0.065  12.588  -0.558
  406    HB   VAL  50           HB       VAL  50   1.660  11.789  -2.152
  407   HG11  VAL  50          HG11      VAL  50   1.990  14.533  -0.962
  408   HG12  VAL  50          HG12      VAL  50   0.996  14.057  -2.337
  409   HG13  VAL  50          HG13      VAL  50   2.752  14.029  -2.470
  410   HG21  VAL  50          HG21      VAL  50   4.045  12.282  -1.613
  411   HG22  VAL  50          HG22      VAL  50   3.350  10.968  -0.665
  412   HG23  VAL  50          HG23      VAL  50   3.560  12.562   0.060
  413    H    LEU  51           HN       LEU  51   1.632  10.939   1.874
  414    HA   LEU  51           HA       LEU  51   1.184   8.311   0.701
  415    HB2  LEU  51           HB2      LEU  51   2.405   9.077   3.349
  416    HB3  LEU  51           HB1      LEU  51   2.340   7.456   2.690
  417    HG   LEU  51           HG       LEU  51   3.888   9.781   1.542
  418   HD11  LEU  51          HD11      LEU  51   4.775   7.249   2.918
  419   HD12  LEU  51          HD12      LEU  51   4.880   8.886   3.564
  420   HD13  LEU  51          HD13      LEU  51   5.843   8.428   2.160
  421   HD21  LEU  51          HD21      LEU  51   3.632   6.926   0.599
  422   HD22  LEU  51          HD22      LEU  51   4.818   8.084  -0.001
  423   HD23  LEU  51          HD23      LEU  51   3.098   8.375  -0.252
  424    H    ARG  52           HN       ARG  52   0.168  10.152   3.589
  425    HA   ARG  52           HA       ARG  52  -1.487   8.108   4.601
  426    HB2  ARG  52           HB2      ARG  52  -2.616   9.999   5.894
  427    HB3  ARG  52           HB1      ARG  52  -0.907   9.726   6.179
  428    HG2  ARG  52           HG2      ARG  52  -1.074  12.026   6.066
  429    HG3  ARG  52           HG1      ARG  52  -0.532  11.588   4.447
  430    HD2  ARG  52           HD2      ARG  52  -2.308  13.282   4.421
  431    HD3  ARG  52           HD1      ARG  52  -2.779  11.797   3.599
  432    HE   ARG  52           HE       ARG  52  -3.969  11.261   5.767
  433   HH11  ARG  52          HH11      ARG  52  -3.370  14.575   4.706
  434   HH12  ARG  52          HH12      ARG  52  -4.859  15.204   5.517
  435   HH21  ARG  52          HH21      ARG  52  -5.864  12.035   6.778
  436   HH22  ARG  52          HH22      ARG  52  -6.247  13.793   6.659
  437    H    GLU  53           HN       GLU  53  -2.041  10.397   2.069
  438    HA   GLU  53           HA       GLU  53  -4.916   9.988   2.174
  439    HB2  GLU  53           HB2      GLU  53  -5.043  11.556   0.325
  440    HB3  GLU  53           HB1      GLU  53  -4.049  12.210   1.619
  441    HG2  GLU  53           HG2      GLU  53  -2.042  11.717   0.394
  442    HG3  GLU  53           HG1      GLU  53  -2.967  10.893  -0.863
  443    H    GLN  54           HN       GLN  54  -2.338   8.298   1.007
  444    HA   GLN  54           HA       GLN  54  -3.974   7.062  -1.110
  445    HB2  GLN  54           HB2      GLN  54  -0.987   7.448  -0.937
  446    HB3  GLN  54           HB1      GLN  54  -1.722   6.289  -2.033
  447    HG2  GLN  54           HG2      GLN  54  -2.183   9.261  -2.022
  448    HG3  GLN  54           HG1      GLN  54  -1.191   8.362  -3.169
  449   HE21  GLN  54          HE21      GLN  54  -4.411   9.145  -2.163
  450   HE22  GLN  54          HE22      GLN  54  -5.220   8.514  -3.553
  451    H    ALA  55           HN       ALA  55  -3.063   6.676   1.941
  452    HA   ALA  55           HA       ALA  55  -2.040   4.020   2.014
  453    HB1  ALA  55           HB1      ALA  55  -3.443   5.616   4.160
  454    HB2  ALA  55           HB2      ALA  55  -1.704   5.586   3.864
  455    HB3  ALA  55           HB3      ALA  55  -2.534   4.127   4.411
  456    H    GLY  56           HN       GLY  56  -3.098   2.173   1.777
  457    HA2  GLY  56           HA2      GLY  56  -4.868   0.655   2.009
  458    HA3  GLY  56           HA1      GLY  56  -5.932   1.993   2.429
  459    H    GLY  57           HN       GLY  57  -3.975   2.476  -0.329
  460    HA2  GLY  57           HA2      GLY  57  -5.993   1.442  -2.165
  461    HA3  GLY  57           HA1      GLY  57  -5.727   3.181  -2.165
  462    H    ASP  58           HN       ASP  58  -5.328   1.819  -4.462
  463    HA   ASP  58           HA       ASP  58  -2.521   1.140  -4.739
  464    HB2  ASP  58           HB2      ASP  58  -4.403  -0.052  -5.952
  465    HB3  ASP  58           HB1      ASP  58  -4.611   1.406  -6.910
  466    H    ALA  59           HN       ALA  59  -1.163   2.804  -4.700
  467    HA   ALA  59           HA       ALA  59  -1.936   5.355  -5.926
  468    HB1  ALA  59           HB1      ALA  59  -1.082   5.257  -3.569
  469    HB2  ALA  59           HB2      ALA  59  -0.217   6.369  -4.630
  470    HB3  ALA  59           HB3      ALA  59   0.489   4.804  -4.227
  471    H    THR  60           HN       THR  60  -0.966   2.855  -7.357
  472    HA   THR  60           HA       THR  60   1.591   3.177  -8.368
  473    HB   THR  60           HB       THR  60  -0.721   2.214 -10.039
  474    HG1  THR  60           HG1      THR  60  -1.042   0.839  -8.450
  475   HG21  THR  60          HG21      THR  60   2.179   1.385  -9.860
  476   HG22  THR  60          HG22      THR  60   1.458   2.339 -11.154
  477   HG23  THR  60          HG23      THR  60   0.969   0.663 -10.917
  478    H    GLU  61           HN       GLU  61  -1.406   4.738  -9.302
  479    HA   GLU  61           HA       GLU  61  -0.767   5.903 -11.704
  480    HB2  GLU  61           HB2      GLU  61  -2.328   7.771 -10.932
  481    HB3  GLU  61           HB1      GLU  61  -2.981   6.138 -10.918
  482    HG2  GLU  61           HG2      GLU  61  -2.578   5.993  -8.512
  483    HG3  GLU  61           HG1      GLU  61  -1.911   7.625  -8.523
  484    H    ASN  62           HN       ASN  62  -0.073   7.185  -8.458
  485    HA   ASN  62           HA       ASN  62   1.272   9.505  -9.490
  486    HB2  ASN  62           HB2      ASN  62   0.065   9.085  -7.160
  487    HB3  ASN  62           HB1      ASN  62   1.685   8.587  -6.681
  488   HD21  ASN  62          HD21      ASN  62  -0.368  11.200  -7.523
  489   HD22  ASN  62          HD22      ASN  62   0.753  12.477  -7.216
  490    H    PHE  63           HN       PHE  63   2.159   6.363  -8.291
  491    HA   PHE  63           HA       PHE  63   4.909   6.712  -7.926
  492    HB2  PHE  63           HB2      PHE  63   3.359   4.720  -7.327
  493    HB3  PHE  63           HB1      PHE  63   3.696   4.155  -8.958
  494    HD1  PHE  63           HD2      PHE  63   5.122   4.810  -5.644
  495    HD2  PHE  63           HD1      PHE  63   5.847   3.249  -9.537
  496    HE1  PHE  63           HE2      PHE  63   7.182   3.743  -4.828
  497    HE2  PHE  63           HE1      PHE  63   7.910   2.177  -8.724
  498    HZ   PHE  63           HZ       PHE  63   8.578   2.425  -6.367
  499    H    GLU  64           HN       GLU  64   3.053   5.792 -10.806
  500    HA   GLU  64           HA       GLU  64   5.458   5.641 -12.422
  501    HB2  GLU  64           HB2      GLU  64   3.913   5.073 -14.263
  502    HB3  GLU  64           HB1      GLU  64   3.706   4.025 -12.868
  503    HG2  GLU  64           HG2      GLU  64   1.689   5.038 -12.263
  504    HG3  GLU  64           HG1      GLU  64   1.981   6.434 -13.299
  505    H    ASP  65           HN       ASP  65   3.029   7.977 -11.649
  506    HA   ASP  65           HA       ASP  65   3.259   9.612 -13.957
  507    HB2  ASP  65           HB2      ASP  65   1.372   9.835 -12.403
  508    HB3  ASP  65           HB1      ASP  65   2.469  10.356 -11.129
  509    H    VAL  66           HN       VAL  66   4.706   9.844 -10.722
  510    HA   VAL  66           HA       VAL  66   6.470  11.976 -11.498
  511    HB   VAL  66           HB       VAL  66   6.615  10.237  -9.027
  512   HG11  VAL  66          HG11      VAL  66   8.663  11.490  -9.499
  513   HG12  VAL  66          HG12      VAL  66   7.855  12.084  -8.049
  514   HG13  VAL  66          HG13      VAL  66   7.733  12.985  -9.559
  515   HG21  VAL  66          HG21      VAL  66   4.424  11.442  -9.406
  516   HG22  VAL  66          HG22      VAL  66   5.329  12.946  -9.228
  517   HG23  VAL  66          HG23      VAL  66   5.257  11.793  -7.895
  518    H    GLY  67           HN       GLY  67   6.727   8.505 -10.969
  519    HA2  GLY  67           HA2      GLY  67   8.204   7.056 -12.057
  520    HA3  GLY  67           HA1      GLY  67   9.128   8.450 -12.608
  521    H    HIS  68           HN       HIS  68   9.436   5.811 -10.791
  522    HA   HIS  68           HA       HIS  68  11.089   7.162  -8.769
  523    HB2  HIS  68           HB2      HIS  68   9.561   4.585  -8.724
  524    HB3  HIS  68           HB1      HIS  68  10.957   4.790  -7.670
  525    HD1  HIS  68           HD1      HIS  68   7.683   6.611  -8.416
  526    HD2  HIS  68           HD2      HIS  68  10.355   5.920  -5.308
  527    HE1  HIS  68           HE1      HIS  68   6.677   7.690  -6.366
  528    H    SER  69           HN       SER  69  13.191   6.541  -8.465
  529    HA   SER  69           HA       SER  69  14.570   5.564 -10.723
  530    HB2  SER  69           HB2      SER  69  15.665   5.838  -7.923
  531    HB3  SER  69           HB1      SER  69  16.552   5.948  -9.449
  532    HG   SER  69           HG       SER  69  15.672   7.966  -8.177
  533    H    THR  70           HN       THR  70  16.052   3.743 -10.754
  534    HA   THR  70           HA       THR  70  14.830   1.304 -10.297
  535    HB   THR  70           HB       THR  70  17.821   1.622 -10.410
  536    HG1  THR  70           HG1      THR  70  16.202   1.560 -12.727
  537   HG21  THR  70          HG21      THR  70  15.903  -0.419 -11.541
  538   HG22  THR  70          HG22      THR  70  16.993  -0.655 -10.179
  539   HG23  THR  70          HG23      THR  70  17.646  -0.417 -11.798
  540    H    ASP  71           HN       ASP  71  17.369   2.892  -8.386
  541    HA   ASP  71           HA       ASP  71  17.683   0.884  -6.464
  542    HB2  ASP  71           HB2      ASP  71  19.150   2.920  -6.891
  543    HB3  ASP  71           HB1      ASP  71  17.994   3.834  -5.928
  544    H    ALA  72           HN       ALA  72  15.359   3.490  -6.719
  545    HA   ALA  72           HA       ALA  72  14.345   3.358  -4.086
  546    HB1  ALA  72           HB1      ALA  72  13.975   5.297  -5.484
  547    HB2  ALA  72           HB2      ALA  72  12.431   4.615  -4.981
  548    HB3  ALA  72           HB3      ALA  72  13.026   4.335  -6.616
  549    H    ARG  73           HN       ARG  73  13.199   1.887  -7.139
  550    HA   ARG  73           HA       ARG  73  11.024   0.560  -5.895
  551    HB2  ARG  73           HB2      ARG  73  10.983  -0.845  -7.989
  552    HB3  ARG  73           HB1      ARG  73  10.838   0.888  -8.231
  553    HG2  ARG  73           HG2      ARG  73  12.406   0.640  -9.783
  554    HG3  ARG  73           HG1      ARG  73  13.542   0.466  -8.443
  555    HD2  ARG  73           HD2      ARG  73  13.838  -1.368  -9.991
  556    HD3  ARG  73           HD1      ARG  73  13.170  -1.972  -8.478
  557    HE   ARG  73           HE       ARG  73  11.135  -1.377 -10.390
  558   HH11  ARG  73          HH11      ARG  73  13.544  -3.761  -9.425
  559   HH12  ARG  73          HH12      ARG  73  12.627  -5.140 -10.157
  560   HH21  ARG  73          HH21      ARG  73   9.940  -3.097 -11.321
  561   HH22  ARG  73          HH22      ARG  73  10.609  -4.768 -11.200
  562    H    GLU  74           HN       GLU  74  14.386  -0.256  -6.324
  563    HA   GLU  74           HA       GLU  74  14.171  -3.019  -5.714
  564    HB2  GLU  74           HB2      GLU  74  16.469  -1.073  -5.459
  565    HB3  GLU  74           HB1      GLU  74  16.619  -2.791  -5.109
  566    HG2  GLU  74           HG2      GLU  74  15.868  -1.571  -7.760
  567    HG3  GLU  74           HG1      GLU  74  17.422  -2.286  -7.337
  568    H    LEU  75           HN       LEU  75  14.799  -0.126  -3.778
  569    HA   LEU  75           HA       LEU  75  15.158  -1.422  -1.299
  570    HB2  LEU  75           HB2      LEU  75  15.814   0.918  -1.748
  571    HB3  LEU  75           HB1      LEU  75  14.123   1.363  -1.852
  572    HG   LEU  75           HG       LEU  75  13.932   0.520   0.567
  573   HD11  LEU  75          HD11      LEU  75  15.956   0.504   1.867
  574   HD12  LEU  75          HD12      LEU  75  16.918   0.900   0.445
  575   HD13  LEU  75          HD13      LEU  75  16.106  -0.661   0.553
  576   HD21  LEU  75          HD21      LEU  75  14.683   2.671   1.445
  577   HD22  LEU  75          HD22      LEU  75  13.833   2.877  -0.085
  578   HD23  LEU  75          HD23      LEU  75  15.593   2.967  -0.035
  579    H    SER  76           HN       SER  76  12.334  -0.573  -3.119
  580    HA   SER  76           HA       SER  76  10.446  -0.611  -1.007
  581    HB2  SER  76           HB2      SER  76  10.010  -1.151  -3.953
  582    HB3  SER  76           HB1      SER  76   8.764  -0.724  -2.778
  583    HG   SER  76           HG       SER  76  11.006   0.920  -3.380
  584    H    LYS  77           HN       LYS  77  12.171  -3.120  -2.528
  585    HA   LYS  77           HA       LYS  77  10.187  -5.163  -2.293
  586    HB2  LYS  77           HB2      LYS  77  12.391  -5.035  -3.757
  587    HB3  LYS  77           HB1      LYS  77  13.085  -5.850  -2.360
  588    HG2  LYS  77           HG2      LYS  77  11.631  -7.701  -2.596
  589    HG3  LYS  77           HG1      LYS  77  10.624  -6.847  -3.767
  590    HD2  LYS  77           HD2      LYS  77  12.664  -6.752  -5.254
  591    HD3  LYS  77           HD1      LYS  77  13.426  -7.876  -4.131
  592    HE2  LYS  77           HE2      LYS  77  11.769  -9.541  -4.567
  593    HE3  LYS  77           HE1      LYS  77  10.801  -8.408  -5.508
  594    HZ1  LYS  77           HZ1      LYS  77  12.533  -8.322  -7.162
  595    HZ2  LYS  77           HZ2      LYS  77  12.080  -9.931  -6.902
  596    HZ3  LYS  77           HZ3      LYS  77  13.519  -9.345  -6.244
  597    H    THR  78           HN       THR  78  11.842  -3.524   0.053
  598    HA   THR  78           HA       THR  78  11.977  -5.858   1.820
  599    HB   THR  78           HB       THR  78  13.906  -4.143   1.627
  600    HG1  THR  78           HG1      THR  78  12.944  -4.675   4.259
  601   HG21  THR  78          HG21      THR  78  12.567  -2.111   1.868
  602   HG22  THR  78          HG22      THR  78  13.757  -2.237   3.160
  603   HG23  THR  78          HG23      THR  78  12.069  -2.621   3.482
  604    H    PHE  79           HN       PHE  79   9.737  -3.743   0.842
  605    HA   PHE  79           HA       PHE  79   8.479  -3.522   3.497
  606    HB2  PHE  79           HB2      PHE  79   7.871  -1.911   1.007
  607    HB3  PHE  79           HB1      PHE  79   7.161  -1.677   2.597
  608    HD1  PHE  79           HD2      PHE  79   9.304  -1.631   4.442
  609    HD2  PHE  79           HD1      PHE  79   9.213  -0.177   0.449
  610    HE1  PHE  79           HE2      PHE  79  11.089  -0.029   4.990
  611    HE2  PHE  79           HE1      PHE  79  10.995   1.428   0.981
  612    HZ   PHE  79           HZ       PHE  79  11.938   1.508   3.257
  613    H    ILE  80           HN       ILE  80   8.387  -5.250   0.649
  614    HA   ILE  80           HA       ILE  80   5.570  -5.501   0.291
  615    HB   ILE  80           HB       ILE  80   7.020  -5.934  -1.580
  616   HG12  ILE  80          HG12      ILE  80   6.284  -8.401  -2.063
  617   HG13  ILE  80          HG11      ILE  80   5.399  -8.231  -0.549
  618   HG21  ILE  80          HG21      ILE  80   8.993  -6.729  -0.433
  619   HG22  ILE  80          HG22      ILE  80   8.510  -7.883  -1.676
  620   HG23  ILE  80          HG23      ILE  80   8.157  -8.216   0.019
  621   HD11  ILE  80          HD11      ILE  80   3.972  -7.741  -2.436
  622   HD12  ILE  80          HD12      ILE  80   5.096  -6.503  -2.991
  623   HD13  ILE  80          HD13      ILE  80   4.227  -6.286  -1.471
  624    H    ILE  81           HN       ILE  81   4.221  -6.515   1.604
  625    HA   ILE  81           HA       ILE  81   5.218  -8.858   3.093
  626    HB   ILE  81           HB       ILE  81   3.656  -8.408   4.878
  627   HG12  ILE  81          HG12      ILE  81   2.013  -7.211   3.240
  628   HG13  ILE  81          HG11      ILE  81   2.062  -6.721   4.927
  629   HG21  ILE  81          HG21      ILE  81   5.309  -5.987   4.182
  630   HG22  ILE  81          HG22      ILE  81   5.835  -7.408   5.084
  631   HG23  ILE  81          HG23      ILE  81   4.626  -6.326   5.773
  632   HD11  ILE  81          HD11      ILE  81   3.679  -4.905   4.159
  633   HD12  ILE  81          HD12      ILE  81   1.980  -4.732   3.723
  634   HD13  ILE  81          HD13      ILE  81   3.145  -5.300   2.525
  635    H    GLY  82           HN       GLY  82   3.193  -7.897   0.640
  636    HA2  GLY  82           HA2      GLY  82   2.140 -10.395   0.150
  637    HA3  GLY  82           HA1      GLY  82   0.954  -9.575   1.150
  638    H    GLU  83           HN       GLU  83  -0.251 -10.101  -0.919
  639    HA   GLU  83           HA       GLU  83  -0.154  -7.743  -2.661
  640    HB2  GLU  83           HB2      GLU  83  -0.335 -10.623  -3.553
  641    HB3  GLU  83           HB1      GLU  83  -0.738  -9.264  -4.590
  642    HG2  GLU  83           HG2      GLU  83   1.577  -8.413  -4.242
  643    HG3  GLU  83           HG1      GLU  83   1.940  -9.918  -3.401
  644    H    LEU  84           HN       LEU  84  -2.237  -7.796  -4.099
  645    HA   LEU  84           HA       LEU  84  -4.471  -8.047  -2.262
  646    HB2  LEU  84           HB2      LEU  84  -3.878  -6.532  -4.691
  647    HB3  LEU  84           HB1      LEU  84  -5.498  -7.199  -4.684
  648    HG   LEU  84           HG       LEU  84  -5.518  -4.932  -3.824
  649   HD11  LEU  84          HD11      LEU  84  -6.721  -5.285  -1.804
  650   HD12  LEU  84          HD12      LEU  84  -5.911  -6.825  -1.520
  651   HD13  LEU  84          HD13      LEU  84  -7.044  -6.658  -2.861
  652   HD21  LEU  84          HD21      LEU  84  -3.256  -4.746  -3.028
  653   HD22  LEU  84          HD22      LEU  84  -3.553  -5.963  -1.787
  654   HD23  LEU  84          HD23      LEU  84  -4.365  -4.399  -1.701
  655    H    HIS  85           HN       HIS  85  -6.458  -9.076  -2.886
  656    HA   HIS  85           HA       HIS  85  -6.127 -11.719  -3.776
  657    HB2  HIS  85           HB2      HIS  85  -8.432  -9.984  -3.057
  658    HB3  HIS  85           HB1      HIS  85  -8.789 -11.378  -4.069
  659    HD1  HIS  85           HD1      HIS  85  -9.970 -12.806  -2.368
  660    HD2  HIS  85           HD2      HIS  85  -6.249 -11.482  -1.074
  661    HE1  HIS  85           HE1      HIS  85  -9.516 -14.050  -0.233
  662    HE2  HIS  85           HE2      HIS  85  -7.181 -13.368   0.427
  663    HA   PRO  86           HA       PRO  86  -6.147 -11.345  -8.182
  664    HB2  PRO  86           HB2      PRO  86  -7.449 -13.696  -8.817
  665    HB3  PRO  86           HB1      PRO  86  -5.730 -13.576  -8.420
  666    HG2  PRO  86           HG2      PRO  86  -8.008 -14.404  -6.689
  667    HG3  PRO  86           HG1      PRO  86  -6.359 -15.055  -6.773
  668    HD2  PRO  86           HD2      PRO  86  -7.130 -13.400  -4.795
  669    HD3  PRO  86           HD1      PRO  86  -5.485 -13.368  -5.464
  670    H    ASP  87           HN       ASP  87  -9.127 -12.091  -6.489
  671    HA   ASP  87           HA       ASP  87 -10.885 -11.546  -8.658
  672    HB2  ASP  87           HB2      ASP  87 -11.374 -11.558  -5.674
  673    HB3  ASP  87           HB1      ASP  87 -12.640 -11.460  -6.893
  674    H    ASP  88           HN       ASP  88  -9.531  -9.645  -6.034
  675    HA   ASP  88           HA       ASP  88 -10.966  -7.244  -6.833
  676    HB2  ASP  88           HB2      ASP  88  -8.826  -7.676  -4.727
  677    HB3  ASP  88           HB1      ASP  88  -9.723  -6.182  -4.966
  678    H    ARG  89           HN       ARG  89  -8.750  -8.806  -8.320
  679    HA   ARG  89           HA       ARG  89  -6.945  -6.544  -8.819
  680    HB2  ARG  89           HB2      ARG  89  -5.951  -8.658  -7.909
  681    HB3  ARG  89           HB1      ARG  89  -6.450  -9.466  -9.386
  682    HG2  ARG  89           HG2      ARG  89  -5.042  -7.883 -10.670
  683    HG3  ARG  89           HG1      ARG  89  -4.465  -7.222  -9.137
  684    HD2  ARG  89           HD2      ARG  89  -4.206 -10.095 -10.024
  685    HD3  ARG  89           HD1      ARG  89  -2.917  -8.894 -10.071
  686    HE   ARG  89           HE       ARG  89  -4.160  -9.477  -7.488
  687   HH11  ARG  89          HH11      ARG  89  -1.430  -9.840  -9.676
  688   HH12  ARG  89          HH12      ARG  89  -0.297 -10.336  -8.359
  689   HH21  ARG  89          HH21      ARG  89  -2.752 -10.125  -5.792
  690   HH22  ARG  89          HH22      ARG  89  -1.020 -10.487  -6.204
  691    H    SER  90           HN       SER  90  -8.532  -9.285 -10.504
  692    HA   SER  90           HA       SER  90  -8.510  -7.603 -12.926
  693    HB2  SER  90           HB2      SER  90  -8.565 -10.584 -13.124
  694    HB3  SER  90           HB1      SER  90  -7.880  -9.396 -14.234
  695    HG   SER  90           HG       SER  90  -6.143  -9.135 -12.883
  696    H    LYS  91           HN       LYS  91 -10.656  -8.281 -10.733
  697    HA   LYS  91           HA       LYS  91 -12.756  -8.781 -12.726
  698    HB2  LYS  91           HB2      LYS  91 -12.172 -10.375 -10.333
  699    HB3  LYS  91           HB1      LYS  91 -13.857  -9.893 -10.479
  700    HG2  LYS  91           HG2      LYS  91 -13.523 -10.767 -12.952
  701    HG3  LYS  91           HG1      LYS  91 -12.245 -11.710 -12.188
  702    HD2  LYS  91           HD2      LYS  91 -15.141 -11.658 -11.346
  703    HD3  LYS  91           HD1      LYS  91 -14.358 -12.947 -12.262
  704    HE2  LYS  91           HE2      LYS  91 -13.482 -12.068  -9.517
  705    HE3  LYS  91           HE1      LYS  91 -14.614 -13.386  -9.806
  706    HZ1  LYS  91           HZ1      LYS  91 -12.191 -13.986  -9.489
  707    HZ2  LYS  91           HZ2      LYS  91 -11.926 -13.348 -11.038
  708    HZ3  LYS  91           HZ3      LYS  91 -12.971 -14.660 -10.832
  709    H    LEU  92           HN       LEU  92 -12.402  -7.969  -9.273
  710    HA   LEU  92           HA       LEU  92 -13.264  -6.313  -7.988
  711    HB2  LEU  92           HB2      LEU  92 -13.389  -5.042 -10.689
  712    HB3  LEU  92           HB1      LEU  92 -14.185  -4.251  -9.343
  713    HG   LEU  92           HG       LEU  92 -12.018  -3.271  -9.627
  714   HD11  LEU  92          HD11      LEU  92 -11.102  -3.517  -7.445
  715   HD12  LEU  92          HD12      LEU  92 -11.816  -5.119  -7.262
  716   HD13  LEU  92          HD13      LEU  92 -12.853  -3.694  -7.310
  717   HD21  LEU  92          HD21      LEU  92 -10.939  -6.078  -9.456
  718   HD22  LEU  92          HD22      LEU  92  -9.946  -4.623  -9.386
  719   HD23  LEU  92          HD23      LEU  92 -10.870  -4.991 -10.844
  720    H    SER  93           HN       SER  93 -14.897  -8.497  -8.994
  721    HA   SER  93           HA       SER  93 -17.550  -7.408  -9.355
  722    HB2  SER  93           HB2      SER  93 -17.019 -10.308  -8.840
  723    HB3  SER  93           HB1      SER  93 -18.186  -9.560  -9.934
  724    HG   SER  93           HG       SER  93 -16.318  -8.880 -11.194
  725    H    LYS  94           HN       LYS  94 -17.342  -6.273  -7.191
  726    HA   LYS  94           HA       LYS  94 -18.584  -7.951  -5.151
  727    HB2  LYS  94           HB2      LYS  94 -16.007  -6.442  -4.809
  728    HB3  LYS  94           HB1      LYS  94 -17.063  -6.737  -3.432
  729    HG2  LYS  94           HG2      LYS  94 -16.740  -9.029  -3.510
  730    HG3  LYS  94           HG1      LYS  94 -16.211  -9.000  -5.192
  731    HD2  LYS  94           HD2      LYS  94 -14.287  -9.421  -3.858
  732    HD3  LYS  94           HD1      LYS  94 -14.170  -7.752  -4.421
  733    HE2  LYS  94           HE2      LYS  94 -14.959  -6.943  -2.281
  734    HE3  LYS  94           HE1      LYS  94 -15.208  -8.595  -1.716
  735    HZ1  LYS  94           HZ1      LYS  94 -13.124  -7.562  -0.915
  736    HZ2  LYS  94           HZ2      LYS  94 -12.571  -7.490  -2.525
  737    HZ3  LYS  94           HZ3      LYS  94 -12.872  -8.988  -1.797
  738    HA   PRO  95           HA       PRO  95 -21.111  -4.366  -4.735
  739    HB2  PRO  95           HB2      PRO  95 -22.184  -4.785  -2.289
  740    HB3  PRO  95           HB1      PRO  95 -22.622  -5.760  -3.698
  741    HG2  PRO  95           HG2      PRO  95 -20.758  -6.416  -1.467
  742    HG3  PRO  95           HG1      PRO  95 -21.937  -7.453  -2.294
  743    HD2  PRO  95           HD2      PRO  95 -19.265  -7.491  -2.834
  744    HD3  PRO  95           HD1      PRO  95 -20.516  -7.925  -4.013
  745    H    MET  96           HN       MET  96 -20.603  -2.316  -4.284
  746    HA   MET  96           HA       MET  96 -18.551  -1.711  -2.351
  747    HB2  MET  96           HB2      MET  96 -18.746  -0.575  -4.582
  748    HB3  MET  96           HB1      MET  96 -20.200   0.215  -3.990
  749    HG2  MET  96           HG2      MET  96 -18.986   1.426  -2.355
  750    HG3  MET  96           HG1      MET  96 -17.534   0.465  -2.631
  751    HE1  MET  96           HE1      MET  96 -20.018   3.052  -4.073
  752    HE2  MET  96           HE2      MET  96 -19.935   1.976  -5.469
  753    HE3  MET  96           HE3      MET  96 -19.241   3.593  -5.560
  754    H    GLU  97           HN       GLU  97 -21.700  -0.124  -2.853
  755    HA   GLU  97           HA       GLU  97 -23.303   0.621  -1.444
  756    HB2  GLU  97           HB2      GLU  97 -23.339  -1.763  -0.731
  757    HB3  GLU  97           HB1      GLU  97 -22.196  -1.366   0.544
  758    HG2  GLU  97           HG2      GLU  97 -23.840   0.193   1.501
  759    HG3  GLU  97           HG1      GLU  97 -24.987  -0.277   0.246
  760    H    THR  98           HN       THR  98 -22.900   2.686  -0.960
  761    HA   THR  98           HA       THR  98 -21.912   3.342   1.623
  762    HB   THR  98           HB       THR  98 -19.759   2.953   0.389
  763    HG1  THR  98           HG1      THR  98 -19.364   4.280   2.021
  764   HG21  THR  98          HG21      THR  98 -20.657   5.370  -1.180
  765   HG22  THR  98          HG22      THR  98 -20.377   3.750  -1.815
  766   HG23  THR  98          HG23      THR  98 -19.026   4.704  -1.202
  767    H    LEU  99           HN       LEU  99 -21.439   5.943   1.514
  768    HA   LEU  99           HA       LEU  99 -22.389   7.995   1.379
  769    HB2  LEU  99           HB2      LEU  99 -23.160   6.936  -1.334
  770    HB3  LEU  99           HB1      LEU  99 -23.497   8.580  -0.825
  771    HG   LEU  99           HG       LEU  99 -20.717   7.408  -0.912
  772   HD11  LEU  99          HD11      LEU  99 -21.669   7.411  -3.149
  773   HD12  LEU  99          HD12      LEU  99 -20.430   8.657  -2.991
  774   HD13  LEU  99          HD13      LEU  99 -22.137   9.099  -2.960
  775   HD21  LEU  99          HD21      LEU  99 -20.836   9.266   0.571
  776   HD22  LEU  99          HD22      LEU  99 -21.804  10.196  -0.576
  777   HD23  LEU  99          HD23      LEU  99 -20.113   9.842  -0.935
  778    H    ILE 100           HN       ILE 100 -23.888   5.984   2.712
  779    HA   ILE 100           HA       ILE 100 -26.664   6.647   2.037
  780    HB   ILE 100           HB       ILE 100 -25.562   4.543   3.904
  781   HG12  ILE 100          HG12      ILE 100 -27.017   4.191   1.277
  782   HG13  ILE 100          HG11      ILE 100 -25.262   4.209   1.415
  783   HG21  ILE 100          HG21      ILE 100 -28.403   5.181   3.129
  784   HG22  ILE 100          HG22      ILE 100 -27.687   5.295   4.735
  785   HG23  ILE 100          HG23      ILE 100 -27.902   3.718   3.978
  786   HD11  ILE 100          HD11      ILE 100 -26.132   1.942   1.317
  787   HD12  ILE 100          HD12      ILE 100 -27.108   2.246   2.752
  788   HD13  ILE 100          HD13      ILE 100 -25.349   2.257   2.865
  789    H    THR 101           HN       THR 101 -24.392   6.655   4.754
  790    HA   THR 101           HA       THR 101 -26.213   7.897   6.564
  791    HB   THR 101           HB       THR 101 -23.351   8.203   7.142
  792    HG1  THR 101           HG1      THR 101 -23.491   5.724   7.578
  793   HG21  THR 101          HG21      THR 101 -24.022   7.126   9.243
  794   HG22  THR 101          HG22      THR 101 -25.621   6.812   8.569
  795   HG23  THR 101          HG23      THR 101 -25.089   8.471   8.843
  796    H    THR 102           HN       THR 102 -26.607  10.000   6.896
  797    HA   THR 102           HA       THR 102 -25.461  11.960   5.139
  798    HB   THR 102           HB       THR 102 -27.196  12.584   7.516
  799    HG1  THR 102           HG1      THR 102 -27.991  11.501   4.993
  800   HG21  THR 102          HG21      THR 102 -26.307  14.467   6.218
  801   HG22  THR 102          HG22      THR 102 -28.058  14.341   6.046
  802   HG23  THR 102          HG23      THR 102 -27.003  13.785   4.747
  803    H    VAL 103           HN       VAL 103 -23.450  12.645   5.529
  804    HA   VAL 103           HA       VAL 103 -22.617  13.093   8.314
  805    HB   VAL 103           HB       VAL 103 -20.298  13.070   7.457
  806   HG11  VAL 103          HG11      VAL 103 -21.940  10.641   6.749
  807   HG12  VAL 103          HG12      VAL 103 -21.249  11.020   8.327
  808   HG13  VAL 103          HG13      VAL 103 -20.189  10.659   6.965
  809   HG21  VAL 103          HG21      VAL 103 -19.854  12.302   5.166
  810   HG22  VAL 103          HG22      VAL 103 -20.726  13.834   5.183
  811   HG23  VAL 103          HG23      VAL 103 -21.584  12.336   4.826
  812    H    ASP 104           HN       ASP 104 -24.131  14.870   6.294
  813    HA   ASP 104           HA       ASP 104 -22.502  17.255   6.791
  814    HB2  ASP 104           HB2      ASP 104 -22.951  18.154   4.601
  815    HB3  ASP 104           HB1      ASP 104 -22.249  16.552   4.392
  816    HHB  HEM 400           HB       HEM 400  11.274   4.954  -1.886
  817    HHC  HEM 400           HC       HEM 400   4.969   5.104  -2.392
  818    HHD  HEM 400           HD       HEM 400   5.298  10.936  -4.808
  819    HMA  HEM 400          HMA1      HEM 400  13.590   5.381  -3.034
  820   HMAA  HEM 400          HMA2      HEM 400  13.459   6.064  -1.414
  821   HMAB  HEM 400          HMA3      HEM 400  14.504   6.825  -2.612
  822    HAA  HEM 400          HAA1      HEM 400  14.436   9.155  -3.086
  823   HAAA  HEM 400          HAA2      HEM 400  13.526  10.051  -4.292
  824    HBA  HEM 400          HBA1      HEM 400  13.811   8.040  -5.828
  825   HBAA  HEM 400          HBA2      HEM 400  14.956   7.410  -4.648
  826    HMB  HEM 400          HMB1      HEM 400   9.831   2.301  -1.864
  827   HMBA  HEM 400          HMB2      HEM 400   8.982   2.463  -0.324
  828   HMBB  HEM 400          HMB3      HEM 400  10.453   3.388  -0.636
  829    HAB  HEM 400           HAB      HEM 400   6.714   2.076  -1.535
  830    HBB  HEM 400          HBB1      HEM 400   4.862   4.381  -0.522
  831   HBBA  HEM 400          HBB2      HEM 400   4.553   2.484  -0.498
  832    HMC  HEM 400          HMC1      HEM 400   1.999   7.113  -3.632
  833   HMCA  HEM 400          HMC2      HEM 400   2.680   6.497  -2.122
  834   HMCB  HEM 400          HMC3      HEM 400   2.958   5.646  -3.646
  835    HAC  HEM 400           HAC      HEM 400   3.097  10.093  -5.168
  836    HBC  HEM 400          HBC1      HEM 400   1.664   8.988  -2.613
  837   HBCA  HEM 400          HBC2      HEM 400   1.005  10.230  -3.923
  838    HMD  HEM 400          HMD1      HEM 400   6.233  12.543  -6.263
  839   HMDA  HEM 400          HMD2      HEM 400   7.633  13.610  -6.160
  840   HMDB  HEM 400          HMD3      HEM 400   6.542  13.428  -4.783
  841    HAD  HEM 400          HAD1      HEM 400   9.644  13.746  -5.420
  842   HADA  HEM 400          HAD2      HEM 400  10.987  12.784  -4.831
  843    HBD  HEM 400          HBD1      HEM 400   9.850  12.875  -7.622
  844   HBDA  HEM 400          HBD2      HEM 400  10.903  11.564  -7.087
  845    HHA  HEM 400           HA       HEM 400  11.625  10.670  -4.587
  Start of MODEL   19
    1    H1   MET   1           HT1      MET   1  21.388 -12.268  17.046
    2    H2   MET   1           HT2      MET   1  22.475 -12.741  18.242
    3    H3   MET   1           HT3      MET   1  21.167 -11.748  18.639
    4    HA   MET   1           HA       MET   1  21.139 -14.595  17.860
    5    HB2  MET   1           HB2      MET   1  20.318 -13.048  20.305
    6    HB3  MET   1           HB1      MET   1  19.710 -14.667  19.994
    7    HG2  MET   1           HG2      MET   1  21.999 -15.518  19.955
    8    HG3  MET   1           HG1      MET   1  22.602 -13.893  20.281
    9    HE1  MET   1           HE1      MET   1  23.480 -16.328  22.146
   10    HE2  MET   1           HE2      MET   1  23.341 -15.511  23.701
   11    HE3  MET   1           HE3      MET   1  23.970 -14.643  22.300
   12    H    ALA   2           HN       ALA   2  19.412 -11.616  17.688
   13    HA   ALA   2           HA       ALA   2  16.974 -13.045  16.883
   14    HB1  ALA   2           HB1      ALA   2  16.584 -11.534  18.727
   15    HB2  ALA   2           HB2      ALA   2  15.798 -10.909  17.280
   16    HB3  ALA   2           HB3      ALA   2  17.313 -10.204  17.831
   17    H    ALA   3           HN       ALA   3  17.462 -13.465  14.764
   18    HA   ALA   3           HA       ALA   3  17.303 -11.180  12.977
   19    HB1  ALA   3           HB1      ALA   3  19.695 -11.435  13.223
   20    HB2  ALA   3           HB2      ALA   3  19.206 -11.958  11.610
   21    HB3  ALA   3           HB3      ALA   3  19.579 -13.155  12.851
   22    H    GLN   4           HN       GLN   4  15.930 -11.621  11.380
   23    HA   GLN   4           HA       GLN   4  15.715 -14.327  10.350
   24    HB2  GLN   4           HB2      GLN   4  13.266 -14.380  10.610
   25    HB3  GLN   4           HB1      GLN   4  14.102 -14.350  12.156
   26    HG2  GLN   4           HG2      GLN   4  13.640 -11.951  12.350
   27    HG3  GLN   4           HG1      GLN   4  12.768 -12.005  10.818
   28   HE21  GLN   4          HE21      GLN   4  10.806 -11.415  11.662
   29   HE22  GLN   4          HE22      GLN   4   9.891 -12.420  12.730
   30    H    SER   5           HN       SER   5  14.852 -14.449   8.293
   31    HA   SER   5           HA       SER   5  14.195 -11.902   6.978
   32    HB2  SER   5           HB2      SER   5  15.852 -14.009   5.607
   33    HB3  SER   5           HB1      SER   5  15.665 -12.305   5.182
   34    HG   SER   5           HG       SER   5  16.765 -12.988   7.674
   35    H    ASP   6           HN       ASP   6  12.109 -13.162   7.683
   36    HA   ASP   6           HA       ASP   6  11.362 -15.139   5.656
   37    HB2  ASP   6           HB2      ASP   6  10.119 -14.360   8.298
   38    HB3  ASP   6           HB1      ASP   6   9.315 -15.422   7.145
   39    H    LYS   7           HN       LYS   7  10.540 -14.294   3.870
   40    HA   LYS   7           HA       LYS   7   8.677 -12.028   4.129
   41    HB2  LYS   7           HB2      LYS   7  10.508 -12.740   1.828
   42    HB3  LYS   7           HB1      LYS   7   9.290 -11.475   1.769
   43    HG2  LYS   7           HG2      LYS   7  11.597 -11.521   3.706
   44    HG3  LYS   7           HG1      LYS   7  11.585 -10.644   2.174
   45    HD2  LYS   7           HD2      LYS   7   9.601  -9.387   2.953
   46    HD3  LYS   7           HD1      LYS   7   9.727 -10.206   4.513
   47    HE2  LYS   7           HE2      LYS   7  11.984  -9.267   4.797
   48    HE3  LYS   7           HE1      LYS   7  11.813  -8.422   3.259
   49    HZ1  LYS   7           HZ1      LYS   7   9.813  -7.322   4.274
   50    HZ2  LYS   7           HZ2      LYS   7  11.303  -6.872   4.924
   51    HZ3  LYS   7           HZ3      LYS   7  10.306  -7.953   5.764
   52    H    ASP   8           HN       ASP   8   6.786 -13.160   4.280
   53    HA   ASP   8           HA       ASP   8   6.172 -15.099   2.161
   54    HB2  ASP   8           HB2      ASP   8   5.875 -15.828   4.514
   55    HB3  ASP   8           HB1      ASP   8   4.697 -14.539   4.745
   56    H    VAL   9           HN       VAL   9   4.489 -14.777   0.757
   57    HA   VAL   9           HA       VAL   9   3.350 -12.086   0.759
   58    HB   VAL   9           HB       VAL   9   4.396 -12.610  -1.317
   59   HG11  VAL   9          HG11      VAL   9   2.699 -15.096  -1.444
   60   HG12  VAL   9          HG12      VAL   9   4.437 -15.040  -1.145
   61   HG13  VAL   9          HG13      VAL   9   3.791 -14.523  -2.705
   62   HG21  VAL   9          HG21      VAL   9   2.445 -12.580  -2.908
   63   HG22  VAL   9          HG22      VAL   9   2.433 -11.340  -1.655
   64   HG23  VAL   9          HG23      VAL   9   1.399 -12.762  -1.498
   65    H    LYS  10           HN       LYS  10   1.531 -11.940   1.872
   66    HA   LYS  10           HA       LYS  10  -0.390 -14.155   1.823
   67    HB2  LYS  10           HB2      LYS  10   0.450 -13.038   3.984
   68    HB3  LYS  10           HB1      LYS  10  -0.565 -11.676   3.528
   69    HG2  LYS  10           HG2      LYS  10  -2.428 -13.490   3.344
   70    HG3  LYS  10           HG1      LYS  10  -1.349 -14.424   4.381
   71    HD2  LYS  10           HD2      LYS  10  -2.484 -11.688   4.974
   72    HD3  LYS  10           HD1      LYS  10  -2.977 -13.208   5.721
   73    HE2  LYS  10           HE2      LYS  10  -0.200 -12.045   5.889
   74    HE3  LYS  10           HE1      LYS  10  -1.443 -11.835   7.119
   75    HZ1  LYS  10           HZ1      LYS  10  -0.371 -14.453   6.234
   76    HZ2  LYS  10           HZ2      LYS  10  -1.473 -14.193   7.489
   77    HZ3  LYS  10           HZ3      LYS  10   0.114 -13.632   7.629
   78    H    TYR  11           HN       TYR  11  -2.503 -13.875   1.105
   79    HA   TYR  11           HA       TYR  11  -2.901 -11.580  -0.643
   80    HB2  TYR  11           HB2      TYR  11  -4.365 -14.196  -0.309
   81    HB3  TYR  11           HB1      TYR  11  -5.014 -12.881  -1.289
   82    HD1  TYR  11           HD1      TYR  11  -3.399 -11.939  -3.120
   83    HD2  TYR  11           HD2      TYR  11  -2.957 -15.751  -1.291
   84    HE1  TYR  11           HE1      TYR  11  -2.029 -12.686  -5.019
   85    HE2  TYR  11           HE2      TYR  11  -1.589 -16.511  -3.188
   86    HH   TYR  11           HH       TYR  11  -0.426 -14.338  -5.605
   87    H    TYR  12           HN       TYR  12  -3.762  -9.827   0.190
   88    HA   TYR  12           HA       TYR  12  -5.538 -10.050   2.508
   89    HB2  TYR  12           HB2      TYR  12  -4.187  -7.641   1.272
   90    HB3  TYR  12           HB1      TYR  12  -5.209  -7.595   2.701
   91    HD1  TYR  12           HD2      TYR  12  -4.424  -8.571   4.822
   92    HD2  TYR  12           HD1      TYR  12  -1.924  -8.442   1.379
   93    HE1  TYR  12           HE2      TYR  12  -2.459  -9.000   6.236
   94    HE2  TYR  12           HE1      TYR  12   0.045  -8.866   2.788
   95    HH   TYR  12           HH       TYR  12  -0.269  -9.570   6.224
   96    H    THR  13           HN       THR  13  -7.504  -8.853   2.601
   97    HA   THR  13           HA       THR  13  -8.912  -8.828   0.069
   98    HB   THR  13           HB       THR  13 -10.613  -7.928   2.130
   99    HG1  THR  13           HG1      THR  13 -10.101  -9.089   3.876
  100   HG21  THR  13          HG21      THR  13 -11.660 -10.139   1.845
  101   HG22  THR  13          HG22      THR  13 -10.237 -10.695   0.970
  102   HG23  THR  13          HG23      THR  13 -11.244  -9.418   0.293
  103    H    LEU  14           HN       LEU  14  -9.935  -6.990  -0.792
  104    HA   LEU  14           HA       LEU  14  -8.520  -4.587  -0.659
  105    HB2  LEU  14           HB2      LEU  14  -9.960  -5.390  -2.542
  106    HB3  LEU  14           HB1      LEU  14 -11.366  -4.943  -1.594
  107    HG   LEU  14           HG       LEU  14 -10.466  -2.581  -1.575
  108   HD11  LEU  14          HD11      LEU  14  -8.845  -1.975  -3.275
  109   HD12  LEU  14          HD12      LEU  14  -8.669  -3.669  -3.735
  110   HD13  LEU  14          HD13      LEU  14  -8.143  -3.129  -2.141
  111   HD21  LEU  14          HD21      LEU  14 -12.143  -2.524  -3.043
  112   HD22  LEU  14          HD22      LEU  14 -11.693  -4.077  -3.747
  113   HD23  LEU  14          HD23      LEU  14 -10.895  -2.598  -4.288
  114    H    GLU  15           HN       GLU  15 -11.498  -5.574   0.954
  115    HA   GLU  15           HA       GLU  15 -12.014  -2.984   2.076
  116    HB2  GLU  15           HB2      GLU  15 -13.662  -4.300   3.517
  117    HB3  GLU  15           HB1      GLU  15 -13.929  -4.312   1.779
  118    HG2  GLU  15           HG2      GLU  15 -12.365  -6.513   3.053
  119    HG3  GLU  15           HG1      GLU  15 -14.125  -6.508   3.165
  120    H    GLU  16           HN       GLU  16  -9.751  -5.318   2.825
  121    HA   GLU  16           HA       GLU  16  -9.780  -4.770   5.689
  122    HB2  GLU  16           HB2      GLU  16  -9.391  -7.095   4.701
  123    HB3  GLU  16           HB1      GLU  16  -7.808  -6.507   4.215
  124    HG2  GLU  16           HG2      GLU  16  -7.781  -7.761   6.335
  125    HG3  GLU  16           HG1      GLU  16  -7.189  -6.107   6.493
  126    H    ILE  17           HN       ILE  17  -7.599  -4.460   2.908
  127    HA   ILE  17           HA       ILE  17  -5.567  -3.138   4.381
  128    HB   ILE  17           HB       ILE  17  -4.699  -2.472   2.084
  129   HG12  ILE  17          HG12      ILE  17  -5.802  -4.234   0.380
  130   HG13  ILE  17          HG11      ILE  17  -7.224  -3.857   1.346
  131   HG21  ILE  17          HG21      ILE  17  -3.869  -4.699   1.644
  132   HG22  ILE  17          HG22      ILE  17  -5.160  -5.399   2.621
  133   HG23  ILE  17          HG23      ILE  17  -3.919  -4.403   3.383
  134   HD11  ILE  17          HD11      ILE  17  -6.634  -2.496  -0.810
  135   HD12  ILE  17          HD12      ILE  17  -5.589  -1.615   0.304
  136   HD13  ILE  17          HD13      ILE  17  -7.321  -1.705   0.610
  137    H    LYS  18           HN       LYS  18  -8.357  -1.963   2.582
  138    HA   LYS  18           HA       LYS  18  -7.467   0.766   2.627
  139    HB2  LYS  18           HB2      LYS  18  -9.584   1.338   1.676
  140    HB3  LYS  18           HB1      LYS  18  -9.020  -0.132   0.895
  141    HG2  LYS  18           HG2      LYS  18 -10.603  -1.458   1.986
  142    HG3  LYS  18           HG1      LYS  18 -10.926  -0.227   3.206
  143    HD2  LYS  18           HD2      LYS  18 -12.766  -0.362   1.610
  144    HD3  LYS  18           HD1      LYS  18 -11.954   1.198   1.495
  145    HE2  LYS  18           HE2      LYS  18 -10.830  -0.815  -0.289
  146    HE3  LYS  18           HE1      LYS  18 -12.532  -0.484  -0.606
  147    HZ1  LYS  18           HZ1      LYS  18 -10.415   1.591  -0.429
  148    HZ2  LYS  18           HZ2      LYS  18 -12.032   1.838  -0.860
  149    HZ3  LYS  18           HZ3      LYS  18 -11.014   0.949  -1.873
  150    H    LYS  19           HN       LYS  19  -8.543  -1.221   5.020
  151    HA   LYS  19           HA       LYS  19  -9.714   1.019   6.528
  152    HB2  LYS  19           HB2      LYS  19 -10.875  -1.389   6.077
  153    HB3  LYS  19           HB1      LYS  19 -10.032  -1.718   7.586
  154    HG2  LYS  19           HG2      LYS  19 -12.041  -0.973   8.375
  155    HG3  LYS  19           HG1      LYS  19 -11.133   0.537   8.331
  156    HD2  LYS  19           HD2      LYS  19 -13.172   1.083   7.333
  157    HD3  LYS  19           HD1      LYS  19 -12.095   0.807   5.964
  158    HE2  LYS  19           HE2      LYS  19 -14.248  -0.255   5.589
  159    HE3  LYS  19           HE1      LYS  19 -12.976  -1.468   5.734
  160    HZ1  LYS  19           HZ1      LYS  19 -14.998  -2.053   6.964
  161    HZ2  LYS  19           HZ2      LYS  19 -14.816  -0.673   7.924
  162    HZ3  LYS  19           HZ3      LYS  19 -13.660  -1.903   7.987
  163    H    HIS  20           HN       HIS  20  -6.915  -0.527   6.082
  164    HA   HIS  20           HA       HIS  20  -6.163  -0.651   8.908
  165    HB2  HIS  20           HB2      HIS  20  -5.189  -1.921   6.436
  166    HB3  HIS  20           HB1      HIS  20  -3.916  -1.386   7.528
  167    HD1  HIS  20           HD1      HIS  20  -7.012  -3.597   7.554
  168    HD2  HIS  20           HD2      HIS  20  -3.454  -3.039   9.638
  169    HE1  HIS  20           HE1      HIS  20  -6.883  -5.495   9.197
  170    HE2  HIS  20           HE2      HIS  20  -4.819  -5.025  10.566
  171    H    ASN  21           HN       ASN  21  -6.237   1.561   6.474
  172    HA   ASN  21           HA       ASN  21  -3.689   2.819   6.855
  173    HB2  ASN  21           HB2      ASN  21  -4.787   4.713   5.558
  174    HB3  ASN  21           HB1      ASN  21  -4.663   3.170   4.727
  175   HD21  ASN  21          HD21      ASN  21  -6.332   4.472   3.466
  176   HD22  ASN  21          HD22      ASN  21  -7.987   4.212   3.902
  177    H    HIS  22           HN       HIS  22  -3.983   2.772   9.256
  178    HA   HIS  22           HA       HIS  22  -5.604   5.017  10.241
  179    HB2  HIS  22           HB2      HIS  22  -4.399   2.619  11.613
  180    HB3  HIS  22           HB1      HIS  22  -5.007   4.003  12.518
  181    HD1  HIS  22           HD1      HIS  22  -7.623   4.527  12.181
  182    HD2  HIS  22           HD2      HIS  22  -6.301   0.818  10.849
  183    HE1  HIS  22           HE1      HIS  22  -9.693   3.126  11.926
  184    HE2  HIS  22           HE2      HIS  22  -8.881   0.928  10.998
  185    H    SER  23           HN       SER  23  -2.616   3.631  11.556
  186    HA   SER  23           HA       SER  23  -1.183   6.113  11.074
  187    HB2  SER  23           HB2      SER  23  -0.554   6.094  13.593
  188    HB3  SER  23           HB1      SER  23  -2.113   6.768  13.121
  189    HG   SER  23           HG       SER  23  -3.054   5.268  14.243
  190    H    LYS  24           HN       LYS  24  -1.022   3.168  13.040
  191    HA   LYS  24           HA       LYS  24   1.758   2.776  12.187
  192    HB2  LYS  24           HB2      LYS  24   1.764   1.092  14.098
  193    HB3  LYS  24           HB1      LYS  24   1.606   2.784  14.546
  194    HG2  LYS  24           HG2      LYS  24  -0.867   2.434  14.686
  195    HG3  LYS  24           HG1      LYS  24  -0.568   0.710  14.463
  196    HD2  LYS  24           HD2      LYS  24   0.848   0.713  16.475
  197    HD3  LYS  24           HD1      LYS  24   0.507   2.427  16.703
  198    HE2  LYS  24           HE2      LYS  24  -1.500   0.178  16.767
  199    HE3  LYS  24           HE1      LYS  24  -0.894   1.078  18.156
  200    HZ1  LYS  24           HZ1      LYS  24  -2.584   2.108  15.948
  201    HZ2  LYS  24           HZ2      LYS  24  -1.851   3.104  17.107
  202    HZ3  LYS  24           HZ3      LYS  24  -3.001   1.958  17.583
  203    H    SER  25           HN       SER  25  -0.466   2.201  10.471
  204    HA   SER  25           HA       SER  25   0.228  -0.509   9.767
  205    HB2  SER  25           HB2      SER  25  -2.512  -0.704   9.557
  206    HB3  SER  25           HB1      SER  25  -1.549  -1.402  10.860
  207    HG   SER  25           HG       SER  25  -2.761  -0.168  12.071
  208    H    THR  26           HN       THR  26   0.331   2.305   8.773
  209    HA   THR  26           HA       THR  26  -1.509   2.577   6.612
  210    HB   THR  26           HB       THR  26   1.136   3.984   6.771
  211    HG1  THR  26           HG1      THR  26   0.525   4.452   8.769
  212   HG21  THR  26          HG21      THR  26  -0.360   4.410   4.849
  213   HG22  THR  26          HG22      THR  26  -0.129   5.842   5.850
  214   HG23  THR  26          HG23      THR  26  -1.622   4.914   5.972
  215    H    TRP  27           HN       TRP  27  -1.452   1.049   5.065
  216    HA   TRP  27           HA       TRP  27   1.146   0.325   3.893
  217    HB2  TRP  27           HB2      TRP  27  -1.524  -1.098   3.813
  218    HB3  TRP  27           HB1      TRP  27  -0.096  -1.627   2.933
  219    HD1  TRP  27           HD1      TRP  27   1.671  -0.715   5.739
  220    HE1  TRP  27           HE1      TRP  27   1.823  -2.525   7.550
  221    HE3  TRP  27           HE3      TRP  27  -2.229  -3.672   4.253
  222    HZ2  TRP  27           HZ2      TRP  27   0.469  -4.896   8.262
  223    HZ3  TRP  27           HZ3      TRP  27  -2.735  -5.695   5.560
  224    HH2  TRP  27           HH2      TRP  27  -1.413  -6.293   7.524
  225    H    LEU  28           HN       LEU  28   1.422   0.386   1.648
  226    HA   LEU  28           HA       LEU  28  -0.553   2.049   0.215
  227    HB2  LEU  28           HB2      LEU  28   2.434   1.835  -0.174
  228    HB3  LEU  28           HB1      LEU  28   1.365   2.708  -1.248
  229    HG   LEU  28           HG       LEU  28   1.915   3.388   1.641
  230   HD11  LEU  28          HD11      LEU  28   3.709   3.821  -0.107
  231   HD12  LEU  28          HD12      LEU  28   3.164   5.213   0.830
  232   HD13  LEU  28          HD13      LEU  28   2.584   4.980  -0.817
  233   HD21  LEU  28          HD21      LEU  28   0.602   5.415   1.178
  234   HD22  LEU  28          HD22      LEU  28  -0.375   3.951   1.052
  235   HD23  LEU  28          HD23      LEU  28   0.182   4.768  -0.409
  236    H    ILE  29           HN       ILE  29  -1.111   1.479  -1.882
  237    HA   ILE  29           HA       ILE  29  -0.401  -1.270  -2.625
  238    HB   ILE  29           HB       ILE  29  -2.644   0.447  -3.707
  239   HG12  ILE  29          HG12      ILE  29  -2.830  -1.901  -1.818
  240   HG13  ILE  29          HG11      ILE  29  -2.919  -0.217  -1.308
  241   HG21  ILE  29          HG21      ILE  29  -3.456  -1.650  -4.694
  242   HG22  ILE  29          HG22      ILE  29  -2.012  -2.473  -4.095
  243   HG23  ILE  29          HG23      ILE  29  -1.863  -1.201  -5.309
  244   HD11  ILE  29          HD11      ILE  29  -4.838  -1.694  -3.087
  245   HD12  ILE  29          HD12      ILE  29  -4.884   0.052  -2.821
  246   HD13  ILE  29          HD13      ILE  29  -5.133  -1.054  -1.471
  247    H    LEU  30           HN       LEU  30   1.213  -1.408  -4.012
  248    HA   LEU  30           HA       LEU  30   1.368   0.581  -6.179
  249    HB2  LEU  30           HB2      LEU  30   3.649  -0.693  -4.664
  250    HB3  LEU  30           HB1      LEU  30   3.849   0.233  -6.138
  251    HG   LEU  30           HG       LEU  30   2.673   1.355  -3.597
  252   HD11  LEU  30          HD11      LEU  30   4.827   2.472  -3.290
  253   HD12  LEU  30          HD12      LEU  30   5.479   1.598  -4.677
  254   HD13  LEU  30          HD13      LEU  30   4.993   0.716  -3.227
  255   HD21  LEU  30          HD21      LEU  30   3.606   2.637  -6.162
  256   HD22  LEU  30          HD22      LEU  30   3.128   3.513  -4.710
  257   HD23  LEU  30          HD23      LEU  30   1.946   2.533  -5.576
  258    H    HIS  31           HN       HIS  31   1.053  -0.316  -8.078
  259    HA   HIS  31           HA       HIS  31   0.928  -1.820  -9.771
  260    HB2  HIS  31           HB2      HIS  31   3.269  -3.018  -8.292
  261    HB3  HIS  31           HB1      HIS  31   2.669  -3.680  -9.807
  262    HD1  HIS  31           HD1      HIS  31   2.809  -2.020 -11.919
  263    HD2  HIS  31           HD2      HIS  31   4.962  -0.889  -8.546
  264    HE1  HIS  31           HE1      HIS  31   4.459  -0.303 -12.717
  265    HE2  HIS  31           HE2      HIS  31   5.852   0.249 -10.694
  266    H    HIS  32           HN       HIS  32  -0.778  -2.105  -7.547
  267    HA   HIS  32           HA       HIS  32  -2.448  -3.457  -6.828
  268    HB2  HIS  32           HB2      HIS  32  -1.336  -5.438  -8.826
  269    HB3  HIS  32           HB1      HIS  32  -2.860  -5.626  -7.963
  270    HD1  HIS  32           HD1      HIS  32  -1.840  -4.830 -11.160
  271    HD2  HIS  32           HD2      HIS  32  -4.376  -2.902  -8.490
  272    HE1  HIS  32           HE1      HIS  32  -3.277  -3.317 -12.563
  273    HE2  HIS  32           HE2      HIS  32  -4.906  -2.283 -10.944
  274    H    LYS  33           HN       LYS  33   0.402  -3.563  -5.783
  275    HA   LYS  33           HA       LYS  33   0.072  -6.037  -4.219
  276    HB2  LYS  33           HB2      LYS  33   2.690  -4.670  -4.873
  277    HB3  LYS  33           HB1      LYS  33   2.481  -6.199  -4.027
  278    HG2  LYS  33           HG2      LYS  33   1.387  -7.068  -6.129
  279    HG3  LYS  33           HG1      LYS  33   1.954  -5.597  -6.921
  280    HD2  LYS  33           HD2      LYS  33   4.248  -6.160  -6.399
  281    HD3  LYS  33           HD1      LYS  33   3.719  -7.594  -5.512
  282    HE2  LYS  33           HE2      LYS  33   2.501  -7.876  -7.962
  283    HE3  LYS  33           HE1      LYS  33   4.071  -7.187  -8.376
  284    HZ1  LYS  33           HZ1      LYS  33   3.595  -9.635  -6.759
  285    HZ2  LYS  33           HZ2      LYS  33   5.118  -8.955  -7.078
  286    HZ3  LYS  33           HZ3      LYS  33   4.192  -9.574  -8.344
  287    H    VAL  34           HN       VAL  34   0.641  -5.916  -1.982
  288    HA   VAL  34           HA       VAL  34   0.196  -3.228  -0.919
  289    HB   VAL  34           HB       VAL  34   0.227  -5.752   0.723
  290   HG11  VAL  34          HG11      VAL  34  -1.272  -4.483   2.171
  291   HG12  VAL  34          HG12      VAL  34  -1.201  -3.119   1.056
  292   HG13  VAL  34          HG13      VAL  34   0.251  -3.627   1.917
  293   HG21  VAL  34          HG21      VAL  34  -1.313  -6.178  -1.101
  294   HG22  VAL  34          HG22      VAL  34  -2.111  -4.630  -0.822
  295   HG23  VAL  34          HG23      VAL  34  -2.207  -5.905   0.393
  296    H    TYR  35           HN       TYR  35   1.819  -2.079  -0.177
  297    HA   TYR  35           HA       TYR  35   4.239  -3.475   0.759
  298    HB2  TYR  35           HB2      TYR  35   3.962  -0.769  -0.568
  299    HB3  TYR  35           HB1      TYR  35   5.453  -1.365   0.155
  300    HD1  TYR  35           HD1      TYR  35   3.103  -1.742  -2.640
  301    HD2  TYR  35           HD2      TYR  35   6.770  -3.072  -0.949
  302    HE1  TYR  35           HE1      TYR  35   3.690  -2.820  -4.768
  303    HE2  TYR  35           HE2      TYR  35   7.367  -4.151  -3.075
  304    HH   TYR  35           HH       TYR  35   6.095  -5.080  -5.084
  305    H    ASP  36           HN       ASP  36   4.831  -3.160   2.808
  306    HA   ASP  36           HA       ASP  36   3.320  -1.242   4.412
  307    HB2  ASP  36           HB2      ASP  36   3.324  -3.361   5.449
  308    HB3  ASP  36           HB1      ASP  36   5.031  -3.623   5.104
  309    H    LEU  37           HN       LEU  37   4.129   0.664   4.760
  310    HA   LEU  37           HA       LEU  37   6.941   0.981   5.404
  311    HB2  LEU  37           HB2      LEU  37   7.267   2.805   3.807
  312    HB3  LEU  37           HB1      LEU  37   6.916   1.298   2.988
  313    HG   LEU  37           HG       LEU  37   4.566   2.995   3.505
  314   HD11  LEU  37          HD11      LEU  37   6.777   3.857   1.650
  315   HD12  LEU  37          HD12      LEU  37   6.093   4.760   3.003
  316   HD13  LEU  37          HD13      LEU  37   5.121   4.457   1.562
  317   HD21  LEU  37          HD21      LEU  37   4.003   2.290   1.256
  318   HD22  LEU  37          HD22      LEU  37   4.517   0.899   2.205
  319   HD23  LEU  37          HD23      LEU  37   5.617   1.620   1.035
  320    H    THR  38           HN       THR  38   4.421   1.106   6.793
  321    HA   THR  38           HA       THR  38   3.487   3.716   7.175
  322    HB   THR  38           HB       THR  38   2.410   1.534   7.935
  323    HG1  THR  38           HG1      THR  38   2.519   3.659   9.838
  324   HG21  THR  38          HG21      THR  38   4.208   1.981  10.315
  325   HG22  THR  38          HG22      THR  38   4.273   0.615   9.207
  326   HG23  THR  38          HG23      THR  38   2.867   0.841  10.245
  327    H    LYS  39           HN       LYS  39   6.389   2.213   8.273
  328    HA   LYS  39           HA       LYS  39   6.804   4.321  10.260
  329    HB2  LYS  39           HB2      LYS  39   7.971   1.613   9.828
  330    HB3  LYS  39           HB1      LYS  39   8.977   2.830  10.603
  331    HG2  LYS  39           HG2      LYS  39   6.242   2.007  11.550
  332    HG3  LYS  39           HG1      LYS  39   7.766   1.405  12.206
  333    HD2  LYS  39           HD2      LYS  39   8.359   3.513  13.057
  334    HD3  LYS  39           HD1      LYS  39   7.145   4.341  12.090
  335    HE2  LYS  39           HE2      LYS  39   5.428   3.004  13.432
  336    HE3  LYS  39           HE1      LYS  39   6.759   2.647  14.530
  337    HZ1  LYS  39           HZ1      LYS  39   5.472   4.590  15.231
  338    HZ2  LYS  39           HZ2      LYS  39   5.867   5.376  13.785
  339    HZ3  LYS  39           HZ3      LYS  39   7.082   4.993  14.895
  340    H    PHE  40           HN       PHE  40   7.272   3.939   7.072
  341    HA   PHE  40           HA       PHE  40   9.857   5.347   7.083
  342    HB2  PHE  40           HB2      PHE  40   8.518   3.664   4.973
  343    HB3  PHE  40           HB1      PHE  40   9.890   4.706   4.617
  344    HD1  PHE  40           HD1      PHE  40   8.791   1.748   6.520
  345    HD2  PHE  40           HD2      PHE  40  12.092   4.083   5.204
  346    HE1  PHE  40           HE1      PHE  40  10.327  -0.043   7.223
  347    HE2  PHE  40           HE2      PHE  40  13.635   2.299   5.898
  348    HZ   PHE  40           HZ       PHE  40  12.753   0.233   6.908
  349    H    LEU  41           HN       LEU  41   6.615   5.919   6.865
  350    HA   LEU  41           HA       LEU  41   6.325   7.688   4.716
  351    HB2  LEU  41           HB2      LEU  41   4.983   7.976   7.406
  352    HB3  LEU  41           HB1      LEU  41   4.397   8.565   5.865
  353    HG   LEU  41           HG       LEU  41   4.672   5.643   6.567
  354   HD11  LEU  41          HD11      LEU  41   3.021   6.783   7.980
  355   HD12  LEU  41          HD12      LEU  41   2.265   5.656   6.854
  356   HD13  LEU  41          HD13      LEU  41   2.217   7.387   6.532
  357   HD21  LEU  41          HD21      LEU  41   3.290   7.036   4.277
  358   HD22  LEU  41          HD22      LEU  41   3.271   5.303   4.593
  359   HD23  LEU  41          HD23      LEU  41   4.782   6.106   4.171
  360    H    GLU  42           HN       GLU  42   7.330   8.232   8.038
  361    HA   GLU  42           HA       GLU  42   7.738  11.056   7.693
  362    HB2  GLU  42           HB2      GLU  42   8.728  10.859  10.004
  363    HB3  GLU  42           HB1      GLU  42   7.064  10.303   9.855
  364    HG2  GLU  42           HG2      GLU  42   7.991   7.971   9.608
  365    HG3  GLU  42           HG1      GLU  42   9.556   8.637  10.065
  366    H    GLU  43           HN       GLU  43   9.448   8.458   6.625
  367    HA   GLU  43           HA       GLU  43  12.032   9.855   6.894
  368    HB2  GLU  43           HB2      GLU  43  11.626   6.906   6.373
  369    HB3  GLU  43           HB1      GLU  43  13.141   7.721   6.732
  370    HG2  GLU  43           HG2      GLU  43  11.838   8.385   8.937
  371    HG3  GLU  43           HG1      GLU  43  10.930   6.928   8.544
  372    H    HIS  44           HN       HIS  44   9.632   9.654   4.871
  373    HA   HIS  44           HA       HIS  44  11.073   8.934   2.450
  374    HB2  HIS  44           HB2      HIS  44   8.772   8.158   2.707
  375    HB3  HIS  44           HB1      HIS  44   8.210   9.810   2.915
  376    HD1  HIS  44           HD1      HIS  44   7.273  10.825   0.851
  377    HD2  HIS  44           HD2      HIS  44   9.993   7.801   0.010
  378    HE1  HIS  44           HE1      HIS  44   7.254  10.535  -1.657
  379    HA   PRO  45           HA       PRO  45  12.233  13.215   1.861
  380    HB2  PRO  45           HB2      PRO  45  13.357  12.904  -0.596
  381    HB3  PRO  45           HB1      PRO  45  14.172  12.434   0.903
  382    HG2  PRO  45           HG2      PRO  45  12.720  10.724  -1.060
  383    HG3  PRO  45           HG1      PRO  45  14.233  10.402  -0.189
  384    HD2  PRO  45           HD2      PRO  45  11.855   9.345   0.569
  385    HD3  PRO  45           HD1      PRO  45  13.154   9.728   1.717
  386    H    GLY  46           HN       GLY  46  10.306  14.272   1.638
  387    HA2  GLY  46           HA2      GLY  46   9.514  15.539  -0.559
  388    HA3  GLY  46           HA1      GLY  46   8.739  13.977  -0.798
  389    H    GLY  47           HN       GLY  47   8.522  13.776   2.242
  390    HA2  GLY  47           HA2      GLY  47   7.254  15.043   3.906
  391    HA3  GLY  47           HA1      GLY  47   6.291  15.684   2.583
  392    H    GLU  48           HN       GLU  48   4.947  14.645   4.636
  393    HA   GLU  48           HA       GLU  48   4.302  11.870   3.987
  394    HB2  GLU  48           HB2      GLU  48   2.942  11.938   6.052
  395    HB3  GLU  48           HB1      GLU  48   4.627  12.357   6.339
  396    HG2  GLU  48           HG2      GLU  48   4.144  14.522   6.856
  397    HG3  GLU  48           HG1      GLU  48   2.721  14.568   5.818
  398    H    GLU  49           HN       GLU  49   3.158  15.021   3.392
  399    HA   GLU  49           HA       GLU  49   0.392  14.715   3.342
  400    HB2  GLU  49           HB2      GLU  49   1.681  16.853   3.077
  401    HB3  GLU  49           HB1      GLU  49   2.006  16.383   1.415
  402    HG2  GLU  49           HG2      GLU  49   0.181  17.918   1.437
  403    HG3  GLU  49           HG1      GLU  49  -0.428  16.324   0.997
  404    H    VAL  50           HN       VAL  50   2.742  14.117   0.753
  405    HA   VAL  50           HA       VAL  50   0.783  13.368  -1.169
  406    HB   VAL  50           HB       VAL  50   2.714  12.474  -2.475
  407   HG11  VAL  50          HG11      VAL  50   3.794  14.667  -2.808
  408   HG12  VAL  50          HG12      VAL  50   2.986  15.257  -1.353
  409   HG13  VAL  50          HG13      VAL  50   2.033  14.769  -2.756
  410   HG21  VAL  50          HG21      VAL  50   4.995  12.970  -1.621
  411   HG22  VAL  50          HG22      VAL  50   4.157  11.720  -0.704
  412   HG23  VAL  50          HG23      VAL  50   4.285  13.352  -0.052
  413    H    LEU  51           HN       LEU  51   2.180  11.675   1.451
  414    HA   LEU  51           HA       LEU  51   1.713   9.060   0.242
  415    HB2  LEU  51           HB2      LEU  51   2.821   9.814   2.944
  416    HB3  LEU  51           HB1      LEU  51   2.675   8.175   2.342
  417    HG   LEU  51           HG       LEU  51   4.418  10.332   1.146
  418   HD11  LEU  51          HD11      LEU  51   5.095   7.889   2.776
  419   HD12  LEU  51          HD12      LEU  51   5.260   9.570   3.288
  420   HD13  LEU  51          HD13      LEU  51   6.265   8.942   1.979
  421   HD21  LEU  51          HD21      LEU  51   3.999   7.441   0.413
  422   HD22  LEU  51          HD22      LEU  51   5.341   8.420  -0.171
  423   HD23  LEU  51          HD23      LEU  51   3.685   8.856  -0.589
  424    H    ARG  52           HN       ARG  52   0.558  11.020   2.961
  425    HA   ARG  52           HA       ARG  52  -1.207   9.097   4.008
  426    HB2  ARG  52           HB2      ARG  52  -2.259  10.981   5.200
  427    HB3  ARG  52           HB1      ARG  52  -0.507  10.986   5.332
  428    HG2  ARG  52           HG2      ARG  52  -0.594  13.124   4.740
  429    HG3  ARG  52           HG1      ARG  52  -1.002  12.563   3.117
  430    HD2  ARG  52           HD2      ARG  52  -2.634  14.176   3.755
  431    HD3  ARG  52           HD1      ARG  52  -3.403  12.591   3.801
  432    HE   ARG  52           HE       ARG  52  -3.331  12.666   6.180
  433   HH11  ARG  52          HH11      ARG  52  -2.340  15.657   4.586
  434   HH12  ARG  52          HH12      ARG  52  -2.645  16.653   6.064
  435   HH21  ARG  52          HH21      ARG  52  -3.721  13.916   8.051
  436   HH22  ARG  52          HH22      ARG  52  -3.405  15.687   7.986
  437    H    GLU  53           HN       GLU  53  -1.561  11.250   1.298
  438    HA   GLU  53           HA       GLU  53  -4.433  11.018   1.240
  439    HB2  GLU  53           HB2      GLU  53  -4.286  12.251  -0.878
  440    HB3  GLU  53           HB1      GLU  53  -3.398  13.046   0.412
  441    HG2  GLU  53           HG2      GLU  53  -1.306  12.139  -0.485
  442    HG3  GLU  53           HG1      GLU  53  -2.215  11.380  -1.792
  443    H    GLN  54           HN       GLN  54  -1.958   8.950   0.415
  444    HA   GLN  54           HA       GLN  54  -3.674   7.553  -1.536
  445    HB2  GLN  54           HB2      GLN  54  -0.654   7.475  -1.338
  446    HB3  GLN  54           HB1      GLN  54  -1.630   6.578  -2.492
  447    HG2  GLN  54           HG2      GLN  54  -1.664   9.574  -2.337
  448    HG3  GLN  54           HG1      GLN  54  -0.511   8.690  -3.326
  449   HE21  GLN  54          HE21      GLN  54  -3.885   9.462  -2.854
  450   HE22  GLN  54          HE22      GLN  54  -4.409   9.015  -4.441
  451    H    ALA  55           HN       ALA  55  -3.008   7.555   1.535
  452    HA   ALA  55           HA       ALA  55  -2.000   5.003   2.167
  453    HB1  ALA  55           HB1      ALA  55  -3.796   6.819   3.772
  454    HB2  ALA  55           HB2      ALA  55  -2.034   6.809   3.793
  455    HB3  ALA  55           HB3      ALA  55  -2.931   5.422   4.405
  456    H    GLY  56           HN       GLY  56  -2.907   3.067   1.875
  457    HA2  GLY  56           HA2      GLY  56  -4.542   1.421   1.986
  458    HA3  GLY  56           HA1      GLY  56  -5.725   2.654   2.398
  459    H    GLY  57           HN       GLY  57  -3.817   3.336  -0.346
  460    HA2  GLY  57           HA2      GLY  57  -5.766   2.133  -2.170
  461    HA3  GLY  57           HA1      GLY  57  -5.546   3.876  -2.220
  462    H    ASP  58           HN       ASP  58  -5.084   2.807  -4.532
  463    HA   ASP  58           HA       ASP  58  -2.378   1.855  -4.833
  464    HB2  ASP  58           HB2      ASP  58  -4.148   1.067  -6.364
  465    HB3  ASP  58           HB1      ASP  58  -4.367   2.712  -6.951
  466    H    ALA  59           HN       ALA  59  -0.687   3.107  -4.804
  467    HA   ALA  59           HA       ALA  59  -1.005   5.957  -5.438
  468    HB1  ALA  59           HB1      ALA  59   1.000   6.339  -4.171
  469    HB2  ALA  59           HB2      ALA  59   1.301   4.610  -4.037
  470    HB3  ALA  59           HB3      ALA  59  -0.078   5.329  -3.211
  471    H    THR  60           HN       THR  60  -0.420   3.331  -7.108
  472    HA   THR  60           HA       THR  60   2.102   3.696  -8.305
  473    HB   THR  60           HB       THR  60  -0.240   2.490  -9.757
  474    HG1  THR  60           HG1      THR  60  -0.444   1.291  -7.989
  475   HG21  THR  60          HG21      THR  60   2.718   1.877  -9.662
  476   HG22  THR  60          HG22      THR  60   1.834   2.605 -11.002
  477   HG23  THR  60          HG23      THR  60   1.526   0.928 -10.548
  478    H    GLU  61           HN       GLU  61  -1.034   5.122  -8.912
  479    HA   GLU  61           HA       GLU  61  -0.626   6.174 -11.459
  480    HB2  GLU  61           HB2      GLU  61  -2.320   7.874 -10.848
  481    HB3  GLU  61           HB1      GLU  61  -2.813   6.238 -10.436
  482    HG2  GLU  61           HG2      GLU  61  -2.581   6.604  -8.158
  483    HG3  GLU  61           HG1      GLU  61  -1.517   7.992  -8.388
  484    H    ASN  62           HN       ASN  62   0.462   7.299  -8.330
  485    HA   ASN  62           HA       ASN  62   1.607   9.718  -9.505
  486    HB2  ASN  62           HB2      ASN  62   1.127   8.758  -6.709
  487    HB3  ASN  62           HB1      ASN  62   2.366   9.975  -6.991
  488   HD21  ASN  62          HD21      ASN  62  -0.243  10.067  -5.599
  489   HD22  ASN  62          HD22      ASN  62  -1.091  11.389  -6.318
  490    H    PHE  63           HN       PHE  63   2.500   6.616  -8.241
  491    HA   PHE  63           HA       PHE  63   5.241   6.983  -7.831
  492    HB2  PHE  63           HB2      PHE  63   3.770   4.998  -7.182
  493    HB3  PHE  63           HB1      PHE  63   3.975   4.435  -8.835
  494    HD1  PHE  63           HD2      PHE  63   5.675   5.047  -5.639
  495    HD2  PHE  63           HD1      PHE  63   6.026   3.474  -9.575
  496    HE1  PHE  63           HE2      PHE  63   7.766   3.924  -4.996
  497    HE2  PHE  63           HE1      PHE  63   8.118   2.344  -8.939
  498    HZ   PHE  63           HZ       PHE  63   8.988   2.570  -6.646
  499    H    GLU  64           HN       GLU  64   3.529   5.761 -10.726
  500    HA   GLU  64           HA       GLU  64   5.961   5.676 -12.258
  501    HB2  GLU  64           HB2      GLU  64   4.567   4.967 -14.107
  502    HB3  GLU  64           HB1      GLU  64   4.114   4.090 -12.654
  503    HG2  GLU  64           HG2      GLU  64   2.182   5.533 -12.366
  504    HG3  GLU  64           HG1      GLU  64   2.649   6.462 -13.789
  505    H    ASP  65           HN       ASP  65   3.542   8.038 -11.617
  506    HA   ASP  65           HA       ASP  65   3.877   9.614 -13.962
  507    HB2  ASP  65           HB2      ASP  65   1.880   9.758 -12.503
  508    HB3  ASP  65           HB1      ASP  65   2.876  10.463 -11.235
  509    H    VAL  66           HN       VAL  66   5.231   9.771 -10.696
  510    HA   VAL  66           HA       VAL  66   6.843  12.073 -11.289
  511    HB   VAL  66           HB       VAL  66   6.986  10.157  -8.951
  512   HG11  VAL  66          HG11      VAL  66   8.193  12.902  -9.256
  513   HG12  VAL  66          HG12      VAL  66   9.084  11.381  -9.265
  514   HG13  VAL  66          HG13      VAL  66   8.241  11.902  -7.806
  515   HG21  VAL  66          HG21      VAL  66   4.836  11.270  -9.079
  516   HG22  VAL  66          HG22      VAL  66   5.635  12.835  -9.217
  517   HG23  VAL  66          HG23      VAL  66   5.774  11.905  -7.728
  518    H    GLY  67           HN       GLY  67   7.403   8.580 -11.019
  519    HA2  GLY  67           HA2      GLY  67   9.045   7.378 -12.196
  520    HA3  GLY  67           HA1      GLY  67   9.840   8.896 -12.593
  521    H    HIS  68           HN       HIS  68  10.280   6.138 -10.919
  522    HA   HIS  68           HA       HIS  68  11.780   7.494  -8.781
  523    HB2  HIS  68           HB2      HIS  68  10.213   4.958  -8.791
  524    HB3  HIS  68           HB1      HIS  68  11.586   5.110  -7.696
  525    HD1  HIS  68           HD1      HIS  68   8.221   6.689  -8.413
  526    HD2  HIS  68           HD2      HIS  68  11.171   6.652  -5.485
  527    HE1  HIS  68           HE1      HIS  68   7.269   7.937  -6.432
  528    H    SER  69           HN       SER  69  13.656   6.280  -7.951
  529    HA   SER  69           HA       SER  69  15.418   5.645 -10.109
  530    HB2  SER  69           HB2      SER  69  16.859   5.108  -7.881
  531    HB3  SER  69           HB1      SER  69  16.626   6.739  -8.513
  532    HG   SER  69           HG       SER  69  15.625   7.188  -6.726
  533    H    THR  70           HN       THR  70  16.775   3.716 -10.150
  534    HA   THR  70           HA       THR  70  15.303   1.349 -10.229
  535    HB   THR  70           HB       THR  70  18.209   1.040  -9.876
  536    HG1  THR  70           HG1      THR  70  18.298   2.081 -12.150
  537   HG21  THR  70          HG21      THR  70  16.294   0.367 -12.117
  538   HG22  THR  70          HG22      THR  70  16.776  -0.717 -10.812
  539   HG23  THR  70          HG23      THR  70  17.967  -0.176 -11.994
  540    H    ASP  71           HN       ASP  71  17.653   2.473  -7.803
  541    HA   ASP  71           HA       ASP  71  17.493   0.132  -6.210
  542    HB2  ASP  71           HB2      ASP  71  19.407   1.689  -6.108
  543    HB3  ASP  71           HB1      ASP  71  18.364   2.908  -5.386
  544    H    ALA  72           HN       ALA  72  15.601   3.065  -6.340
  545    HA   ALA  72           HA       ALA  72  14.402   2.936  -3.805
  546    HB1  ALA  72           HB1      ALA  72  13.251   4.043  -6.361
  547    HB2  ALA  72           HB2      ALA  72  14.287   4.914  -5.229
  548    HB3  ALA  72           HB3      ALA  72  12.679   4.389  -4.728
  549    H    ARG  73           HN       ARG  73  13.304   1.627  -6.937
  550    HA   ARG  73           HA       ARG  73  10.972   0.445  -5.816
  551    HB2  ARG  73           HB2      ARG  73  10.691  -0.676  -7.958
  552    HB3  ARG  73           HB1      ARG  73  11.083   1.020  -8.191
  553    HG2  ARG  73           HG2      ARG  73  12.497   0.204  -9.727
  554    HG3  ARG  73           HG1      ARG  73  13.547  -0.062  -8.334
  555    HD2  ARG  73           HD2      ARG  73  13.353  -2.031  -9.841
  556    HD3  ARG  73           HD1      ARG  73  12.862  -2.357  -8.180
  557    HE   ARG  73           HE       ARG  73  10.725  -1.643 -10.012
  558   HH11  ARG  73          HH11      ARG  73  12.585  -4.213  -8.475
  559   HH12  ARG  73          HH12      ARG  73  11.289  -5.448  -8.742
  560   HH21  ARG  73          HH21      ARG  73   9.068  -3.190 -10.354
  561   HH22  ARG  73          HH22      ARG  73   9.340  -4.882  -9.786
  562    H    GLU  74           HN       GLU  74  14.271  -0.565  -6.105
  563    HA   GLU  74           HA       GLU  74  13.724  -3.350  -5.642
  564    HB2  GLU  74           HB2      GLU  74  16.269  -1.736  -5.628
  565    HB3  GLU  74           HB1      GLU  74  16.230  -3.459  -5.282
  566    HG2  GLU  74           HG2      GLU  74  15.230  -2.218  -7.834
  567    HG3  GLU  74           HG1      GLU  74  16.840  -2.906  -7.622
  568    H    LEU  75           HN       LEU  75  14.388  -0.536  -3.708
  569    HA   LEU  75           HA       LEU  75  15.003  -1.923  -1.292
  570    HB2  LEU  75           HB2      LEU  75  15.733   0.337  -1.491
  571    HB3  LEU  75           HB1      LEU  75  14.123   0.893  -1.903
  572    HG   LEU  75           HG       LEU  75  13.397   0.334   0.421
  573   HD11  LEU  75          HD11      LEU  75  15.129   0.015   2.121
  574   HD12  LEU  75          HD12      LEU  75  16.347  -0.088   0.851
  575   HD13  LEU  75          HD13      LEU  75  15.088  -1.318   0.966
  576   HD21  LEU  75          HD21      LEU  75  14.567   2.255   1.465
  577   HD22  LEU  75          HD22      LEU  75  13.922   2.612  -0.137
  578   HD23  LEU  75          HD23      LEU  75  15.648   2.308   0.073
  579    H    SER  76           HN       SER  76  12.109  -0.951  -2.924
  580    HA   SER  76           HA       SER  76  10.324  -1.184  -0.728
  581    HB2  SER  76           HB2      SER  76   9.732  -1.413  -3.687
  582    HB3  SER  76           HB1      SER  76   8.561  -1.081  -2.410
  583    HG   SER  76           HG       SER  76  10.782   0.567  -3.081
  584    H    LYS  77           HN       LYS  77  12.081  -3.485  -2.370
  585    HA   LYS  77           HA       LYS  77  10.260  -5.615  -2.638
  586    HB2  LYS  77           HB2      LYS  77  12.613  -5.385  -3.604
  587    HB3  LYS  77           HB1      LYS  77  13.194  -5.916  -2.033
  588    HG2  LYS  77           HG2      LYS  77  11.858  -7.984  -2.296
  589    HG3  LYS  77           HG1      LYS  77  11.433  -7.452  -3.925
  590    HD2  LYS  77           HD2      LYS  77  13.931  -7.274  -4.349
  591    HD3  LYS  77           HD1      LYS  77  14.142  -8.178  -2.849
  592    HE2  LYS  77           HE2      LYS  77  12.795  -9.997  -3.749
  593    HE3  LYS  77           HE1      LYS  77  12.555  -9.091  -5.240
  594    HZ1  LYS  77           HZ1      LYS  77  14.282 -10.560  -5.703
  595    HZ2  LYS  77           HZ2      LYS  77  15.038 -10.310  -4.210
  596    HZ3  LYS  77           HZ3      LYS  77  15.080  -9.101  -5.389
  597    H    THR  78           HN       THR  78  11.940  -4.313   0.114
  598    HA   THR  78           HA       THR  78  11.309  -6.662   1.729
  599    HB   THR  78           HB       THR  78  13.541  -5.490   1.912
  600    HG1  THR  78           HG1      THR  78  13.171  -5.359   4.416
  601   HG21  THR  78          HG21      THR  78  12.770  -3.177   1.827
  602   HG22  THR  78          HG22      THR  78  13.652  -3.478   3.325
  603   HG23  THR  78          HG23      THR  78  11.891  -3.398   3.338
  604    H    PHE  79           HN       PHE  79   9.545  -4.202   0.667
  605    HA   PHE  79           HA       PHE  79   8.243  -3.635   3.236
  606    HB2  PHE  79           HB2      PHE  79   7.951  -2.258   0.559
  607    HB3  PHE  79           HB1      PHE  79   7.052  -1.830   2.008
  608    HD1  PHE  79           HD1      PHE  79   9.504  -2.287   3.888
  609    HD2  PHE  79           HD2      PHE  79   8.918  -0.085   0.290
  610    HE1  PHE  79           HE1      PHE  79  11.309  -0.751   4.535
  611    HE2  PHE  79           HE2      PHE  79  10.724   1.454   0.936
  612    HZ   PHE  79           HZ       PHE  79  11.925   1.121   3.056
  613    H    ILE  80           HN       ILE  80   7.778  -5.234   0.187
  614    HA   ILE  80           HA       ILE  80   4.955  -5.362   0.253
  615    HB   ILE  80           HB       ILE  80   6.110  -5.788  -1.820
  616   HG12  ILE  80          HG12      ILE  80   4.734  -8.316  -0.884
  617   HG13  ILE  80          HG11      ILE  80   3.905  -6.861  -1.424
  618   HG21  ILE  80          HG21      ILE  80   8.136  -6.817  -0.915
  619   HG22  ILE  80          HG22      ILE  80   7.438  -7.782  -2.216
  620   HG23  ILE  80          HG23      ILE  80   7.220  -8.278  -0.539
  621   HD11  ILE  80          HD11      ILE  80   3.930  -8.466  -3.201
  622   HD12  ILE  80          HD12      ILE  80   5.679  -8.644  -3.073
  623   HD13  ILE  80          HD13      ILE  80   4.989  -7.121  -3.630
  624    H    ILE  81           HN       ILE  81   3.710  -6.363   1.650
  625    HA   ILE  81           HA       ILE  81   4.768  -8.718   3.068
  626    HB   ILE  81           HB       ILE  81   3.175  -8.326   4.835
  627   HG12  ILE  81          HG12      ILE  81   1.453  -7.282   3.205
  628   HG13  ILE  81          HG11      ILE  81   1.500  -6.707   4.866
  629   HG21  ILE  81          HG21      ILE  81   4.676  -5.817   4.122
  630   HG22  ILE  81          HG22      ILE  81   5.285  -7.188   5.047
  631   HG23  ILE  81          HG23      ILE  81   4.001  -6.176   5.710
  632   HD11  ILE  81          HD11      ILE  81   2.547  -5.342   2.407
  633   HD12  ILE  81          HD12      ILE  81   2.933  -4.813   4.042
  634   HD13  ILE  81          HD13      ILE  81   1.259  -4.816   3.488
  635    H    GLY  82           HN       GLY  82   2.760  -7.859   0.595
  636    HA2  GLY  82           HA2      GLY  82   1.826 -10.389   0.064
  637    HA3  GLY  82           HA1      GLY  82   0.579  -9.624   1.032
  638    H    GLU  83           HN       GLU  83  -0.553 -10.160  -1.054
  639    HA   GLU  83           HA       GLU  83  -0.435  -7.804  -2.808
  640    HB2  GLU  83           HB2      GLU  83  -0.677 -10.696  -3.651
  641    HB3  GLU  83           HB1      GLU  83  -1.063  -9.346  -4.707
  642    HG2  GLU  83           HG2      GLU  83   1.275  -8.540  -4.415
  643    HG3  GLU  83           HG1      GLU  83   1.619 -10.025  -3.527
  644    H    LEU  84           HN       LEU  84  -2.499  -7.742  -4.185
  645    HA   LEU  84           HA       LEU  84  -4.726  -7.833  -2.372
  646    HB2  LEU  84           HB2      LEU  84  -4.232  -6.773  -5.104
  647    HB3  LEU  84           HB1      LEU  84  -5.889  -7.156  -4.685
  648    HG   LEU  84           HG       LEU  84  -5.552  -4.829  -4.275
  649   HD11  LEU  84          HD11      LEU  84  -6.239  -4.638  -2.032
  650   HD12  LEU  84          HD12      LEU  84  -5.377  -6.098  -1.556
  651   HD13  LEU  84          HD13      LEU  84  -6.814  -6.215  -2.569
  652   HD21  LEU  84          HD21      LEU  84  -3.134  -4.791  -4.148
  653   HD22  LEU  84          HD22      LEU  84  -3.178  -5.636  -2.600
  654   HD23  LEU  84          HD23      LEU  84  -3.829  -4.001  -2.732
  655    H    HIS  85           HN       HIS  85  -6.618  -8.995  -2.620
  656    HA   HIS  85           HA       HIS  85  -6.428 -11.680  -3.327
  657    HB2  HIS  85           HB2      HIS  85  -8.444  -9.880  -2.338
  658    HB3  HIS  85           HB1      HIS  85  -9.147 -10.925  -3.566
  659    HD1  HIS  85           HD1      HIS  85  -9.788 -13.220  -2.861
  660    HD2  HIS  85           HD2      HIS  85  -7.245 -11.361  -0.135
  661    HE1  HIS  85           HE1      HIS  85  -9.692 -14.744  -0.859
  662    HE2  HIS  85           HE2      HIS  85  -8.330 -13.489   0.852
  663    HA   PRO  86           HA       PRO  86  -6.788 -11.760  -7.748
  664    HB2  PRO  86           HB2      PRO  86  -8.201 -14.112  -8.018
  665    HB3  PRO  86           HB1      PRO  86  -6.452 -14.029  -7.773
  666    HG2  PRO  86           HG2      PRO  86  -8.612 -14.526  -5.779
  667    HG3  PRO  86           HG1      PRO  86  -7.025 -15.301  -5.934
  668    HD2  PRO  86           HD2      PRO  86  -7.457 -13.426  -4.083
  669    HD3  PRO  86           HD1      PRO  86  -5.907 -13.521  -4.950
  670    H    ASP  87           HN       ASP  87  -9.593 -12.391  -5.741
  671    HA   ASP  87           HA       ASP  87 -11.600 -11.982  -7.680
  672    HB2  ASP  87           HB2      ASP  87 -12.098 -11.252  -4.827
  673    HB3  ASP  87           HB1      ASP  87 -13.099 -12.183  -5.934
  674    H    ASP  88           HN       ASP  88  -9.726  -9.846  -5.686
  675    HA   ASP  88           HA       ASP  88 -11.326  -7.528  -6.496
  676    HB2  ASP  88           HB2      ASP  88  -9.096  -7.803  -4.464
  677    HB3  ASP  88           HB1      ASP  88  -9.917  -6.294  -4.840
  678    H    ARG  89           HN       ARG  89  -9.106  -9.253  -7.901
  679    HA   ARG  89           HA       ARG  89  -7.404  -7.010  -8.740
  680    HB2  ARG  89           HB2      ARG  89  -6.259  -8.979  -7.760
  681    HB3  ARG  89           HB1      ARG  89  -6.920  -9.978  -9.043
  682    HG2  ARG  89           HG2      ARG  89  -5.706  -8.595 -10.690
  683    HG3  ARG  89           HG1      ARG  89  -4.973  -7.706  -9.354
  684    HD2  ARG  89           HD2      ARG  89  -4.691 -10.648  -9.948
  685    HD3  ARG  89           HD1      ARG  89  -3.450  -9.408 -10.126
  686    HE   ARG  89           HE       ARG  89  -4.601  -9.970  -7.481
  687   HH11  ARG  89          HH11      ARG  89  -1.843  -9.893  -9.674
  688   HH12  ARG  89          HH12      ARG  89  -0.650 -10.175  -8.351
  689   HH21  ARG  89          HH21      ARG  89  -3.115 -10.340  -5.788
  690   HH22  ARG  89          HH22      ARG  89  -1.348 -10.447  -6.197
  691    H    SER  90           HN       SER  90  -8.910  -9.947 -10.115
  692    HA   SER  90           HA       SER  90  -9.333  -8.412 -12.594
  693    HB2  SER  90           HB2      SER  90  -9.042 -10.842 -13.631
  694    HB3  SER  90           HB1      SER  90  -7.650  -9.800 -13.320
  695    HG   SER  90           HG       SER  90  -7.958 -12.190 -12.417
  696    H    LYS  91           HN       LYS  91 -11.251  -8.779 -10.499
  697    HA   LYS  91           HA       LYS  91 -13.304 -10.151 -12.057
  698    HB2  LYS  91           HB2      LYS  91 -12.168 -11.447  -9.938
  699    HB3  LYS  91           HB1      LYS  91 -13.532 -10.649  -9.167
  700    HG2  LYS  91           HG2      LYS  91 -15.071 -11.705 -10.690
  701    HG3  LYS  91           HG1      LYS  91 -13.735 -12.423 -11.592
  702    HD2  LYS  91           HD2      LYS  91 -14.181 -12.957  -8.666
  703    HD3  LYS  91           HD1      LYS  91 -14.942 -13.925  -9.929
  704    HE2  LYS  91           HE2      LYS  91 -11.976 -13.474  -9.897
  705    HE3  LYS  91           HE1      LYS  91 -12.711 -14.731  -8.908
  706    HZ1  LYS  91           HZ1      LYS  91 -11.912 -15.473 -11.135
  707    HZ2  LYS  91           HZ2      LYS  91 -13.124 -14.526 -11.838
  708    HZ3  LYS  91           HZ3      LYS  91 -13.539 -15.813 -10.829
  709    H    LEU  92           HN       LEU  92 -13.049  -8.697  -8.818
  710    HA   LEU  92           HA       LEU  92 -14.094  -6.960  -7.817
  711    HB2  LEU  92           HB2      LEU  92 -14.210  -6.094 -10.676
  712    HB3  LEU  92           HB1      LEU  92 -15.093  -5.182  -9.473
  713    HG   LEU  92           HG       LEU  92 -13.037  -4.060  -9.773
  714   HD11  LEU  92          HD11      LEU  92 -12.104  -4.050  -7.611
  715   HD12  LEU  92          HD12      LEU  92 -12.553  -5.726  -7.323
  716   HD13  LEU  92          HD13      LEU  92 -13.798  -4.485  -7.403
  717   HD21  LEU  92          HD21      LEU  92 -11.646  -6.704  -9.380
  718   HD22  LEU  92          HD22      LEU  92 -10.859  -5.144  -9.615
  719   HD23  LEU  92          HD23      LEU  92 -11.829  -5.847 -10.909
  720    H    SER  93           HN       SER  93 -15.603  -9.391  -8.772
  721    HA   SER  93           HA       SER  93 -18.300  -8.404  -9.167
  722    HB2  SER  93           HB2      SER  93 -17.591 -11.282  -8.659
  723    HB3  SER  93           HB1      SER  93 -18.873 -10.616  -9.670
  724    HG   SER  93           HG       SER  93 -17.363 -10.029 -11.187
  725    H    LYS  94           HN       LYS  94 -17.282  -7.484  -6.790
  726    HA   LYS  94           HA       LYS  94 -18.685  -9.100  -4.772
  727    HB2  LYS  94           HB2      LYS  94 -16.231  -7.377  -4.575
  728    HB3  LYS  94           HB1      LYS  94 -17.204  -7.718  -3.152
  729    HG2  LYS  94           HG2      LYS  94 -16.720  -9.997  -3.214
  730    HG3  LYS  94           HG1      LYS  94 -16.171  -9.931  -4.890
  731    HD2  LYS  94           HD2      LYS  94 -14.254 -10.161  -3.456
  732    HD3  LYS  94           HD1      LYS  94 -14.254  -8.535  -4.142
  733    HE2  LYS  94           HE2      LYS  94 -15.345  -7.741  -2.033
  734    HE3  LYS  94           HE1      LYS  94 -15.089  -9.353  -1.365
  735    HZ1  LYS  94           HZ1      LYS  94 -13.347  -7.714  -0.758
  736    HZ2  LYS  94           HZ2      LYS  94 -12.910  -7.614  -2.398
  737    HZ3  LYS  94           HZ3      LYS  94 -12.741  -9.075  -1.565
  738    HA   PRO  95           HA       PRO  95 -21.449  -5.686  -4.308
  739    HB2  PRO  95           HB2      PRO  95 -22.377  -6.131  -1.813
  740    HB3  PRO  95           HB1      PRO  95 -22.807  -7.169  -3.178
  741    HG2  PRO  95           HG2      PRO  95 -20.783  -7.632  -1.041
  742    HG3  PRO  95           HG1      PRO  95 -21.934  -8.773  -1.760
  743    HD2  PRO  95           HD2      PRO  95 -19.313  -8.667  -2.473
  744    HD3  PRO  95           HD1      PRO  95 -20.606  -9.186  -3.576
  745    H    MET  96           HN       MET  96 -21.623  -3.641  -3.343
  746    HA   MET  96           HA       MET  96 -19.378  -2.954  -1.569
  747    HB2  MET  96           HB2      MET  96 -19.323  -1.934  -3.853
  748    HB3  MET  96           HB1      MET  96 -20.823  -1.105  -3.465
  749    HG2  MET  96           HG2      MET  96 -19.680   0.013  -1.583
  750    HG3  MET  96           HG1      MET  96 -18.173  -0.751  -2.081
  751    HE1  MET  96           HE1      MET  96 -21.051   0.740  -4.351
  752    HE2  MET  96           HE2      MET  96 -20.466   2.385  -4.573
  753    HE3  MET  96           HE3      MET  96 -20.961   1.835  -2.975
  754    H    GLU  97           HN       GLU  97 -22.319  -1.164  -2.423
  755    HA   GLU  97           HA       GLU  97 -23.978  -0.239  -1.204
  756    HB2  GLU  97           HB2      GLU  97 -24.593  -2.410  -0.428
  757    HB3  GLU  97           HB1      GLU  97 -23.256  -2.451   0.712
  758    HG2  GLU  97           HG2      GLU  97 -24.286  -0.694   2.027
  759    HG3  GLU  97           HG1      GLU  97 -25.603  -0.572   0.861
  760    H    THR  98           HN       THR  98 -23.605   1.772  -0.587
  761    HA   THR  98           HA       THR  98 -22.392   2.287   1.970
  762    HB   THR  98           HB       THR  98 -20.426   2.119   0.412
  763    HG1  THR  98           HG1      THR  98 -19.448   3.890   1.343
  764   HG21  THR  98          HG21      THR  98 -21.508   4.687  -0.761
  765   HG22  THR  98          HG22      THR  98 -21.574   3.120  -1.566
  766   HG23  THR  98          HG23      THR  98 -20.014   3.861  -1.204
  767    H    LEU  99           HN       LEU  99 -22.089   4.873   2.050
  768    HA   LEU  99           HA       LEU  99 -23.231   6.811   2.361
  769    HB2  LEU  99           HB2      LEU  99 -23.885   6.165  -0.505
  770    HB3  LEU  99           HB1      LEU  99 -24.401   7.659   0.255
  771    HG   LEU  99           HG       LEU  99 -21.522   6.789   0.031
  772   HD11  LEU  99          HD11      LEU  99 -22.334   7.166  -2.185
  773   HD12  LEU  99          HD12      LEU  99 -21.387   8.575  -1.702
  774   HD13  LEU  99          HD13      LEU  99 -23.150   8.648  -1.689
  775   HD21  LEU  99          HD21      LEU  99 -21.752   8.279   1.851
  776   HD22  LEU  99          HD22      LEU  99 -22.863   9.315   0.954
  777   HD23  LEU  99          HD23      LEU  99 -21.161   9.246   0.499
  778    H    ILE 100           HN       ILE 100 -24.539   5.164   3.778
  779    HA   ILE 100           HA       ILE 100 -27.378   5.562   3.110
  780    HB   ILE 100           HB       ILE 100 -27.732   3.432   4.543
  781   HG12  ILE 100          HG12      ILE 100 -24.896   2.945   3.591
  782   HG13  ILE 100          HG11      ILE 100 -25.361   3.247   5.262
  783   HG21  ILE 100          HG21      ILE 100 -26.627   3.271   1.740
  784   HG22  ILE 100          HG22      ILE 100 -28.301   3.592   2.191
  785   HG23  ILE 100          HG23      ILE 100 -27.582   2.020   2.536
  786   HD11  ILE 100          HD11      ILE 100 -24.996   0.873   4.803
  787   HD12  ILE 100          HD12      ILE 100 -26.285   0.917   3.601
  788   HD13  ILE 100          HD13      ILE 100 -26.654   1.207   5.301
  789    H    THR 101           HN       THR 101 -25.791   7.337   4.581
  790    HA   THR 101           HA       THR 101 -27.216   7.325   7.106
  791    HB   THR 101           HB       THR 101 -24.212   7.648   7.163
  792    HG1  THR 101           HG1      THR 101 -25.786   5.337   7.229
  793   HG21  THR 101          HG21      THR 101 -24.445   7.466   9.534
  794   HG22  THR 101          HG22      THR 101 -26.141   7.008   9.392
  795   HG23  THR 101          HG23      THR 101 -25.633   8.646   8.985
  796    H    THR 102           HN       THR 102 -27.813   9.360   7.631
  797    HA   THR 102           HA       THR 102 -27.108  11.522   5.888
  798    HB   THR 102           HB       THR 102 -28.625  11.894   8.451
  799    HG1  THR 102           HG1      THR 102 -30.365  10.887   7.627
  800   HG21  THR 102          HG21      THR 102 -28.177  13.860   7.066
  801   HG22  THR 102          HG22      THR 102 -29.900  13.480   7.066
  802   HG23  THR 102          HG23      THR 102 -28.902  13.055   5.675
  803    H    VAL 103           HN       VAL 103 -24.776  11.409   6.408
  804    HA   VAL 103           HA       VAL 103 -23.961  12.435   8.995
  805    HB   VAL 103           HB       VAL 103 -21.647  12.354   7.978
  806   HG11  VAL 103          HG11      VAL 103 -23.328   9.853   8.064
  807   HG12  VAL 103          HG12      VAL 103 -22.380  10.558   9.374
  808   HG13  VAL 103          HG13      VAL 103 -21.566   9.856   7.976
  809   HG21  VAL 103          HG21      VAL 103 -21.364  11.079   5.904
  810   HG22  VAL 103          HG22      VAL 103 -22.278  12.563   5.630
  811   HG23  VAL 103          HG23      VAL 103 -23.116  11.013   5.706
  812    H    ASP 104           HN       ASP 104 -25.637  14.180   7.562
  813    HA   ASP 104           HA       ASP 104 -23.953  16.248   6.401
  814    HB2  ASP 104           HB2      ASP 104 -26.752  15.520   6.277
  815    HB3  ASP 104           HB1      ASP 104 -26.564  17.230   6.654
  816    HHB  HEM 400           HB       HEM 400  12.533   5.716  -2.380
  817    HHC  HEM 400           HC       HEM 400   6.280   4.807  -2.590
  818    HHD  HEM 400           HD       HEM 400   5.453  10.788  -4.472
  819    HMA  HEM 400          HMA1      HEM 400  14.594   6.626  -3.520
  820   HMAA  HEM 400          HMA2      HEM 400  14.583   7.198  -1.855
  821   HMAB  HEM 400          HMA3      HEM 400  15.351   8.168  -3.107
  822    HAA  HEM 400          HAA1      HEM 400  15.049  10.156  -3.352
  823   HAAA  HEM 400          HAA2      HEM 400  13.841  11.429  -3.427
  824    HBA  HEM 400          HBA1      HEM 400  14.500  11.687  -5.568
  825   HBAA  HEM 400          HBA2      HEM 400  13.587  10.215  -5.895
  826    HMB  HEM 400          HMB1      HEM 400  11.276   2.607  -2.512
  827   HMBA  HEM 400          HMB2      HEM 400  10.958   2.940  -0.803
  828   HMBB  HEM 400          HMB3      HEM 400  12.191   3.851  -1.682
  829    HAB  HEM 400           HAB      HEM 400   8.418   2.085  -2.371
  830    HBB  HEM 400          HBB1      HEM 400   6.706   3.815  -0.418
  831   HBBA  HEM 400          HBB2      HEM 400   6.558   1.941  -0.816
  832    HMC  HEM 400          HMC1      HEM 400   2.941   6.354  -3.478
  833   HMCA  HEM 400          HMC2      HEM 400   3.859   5.685  -2.126
  834   HMCB  HEM 400          HMC3      HEM 400   4.130   5.100  -3.770
  835    HAC  HEM 400           HAC      HEM 400   3.421   9.633  -4.790
  836    HBC  HEM 400          HBC1      HEM 400   2.338   7.998  -2.355
  837   HBCA  HEM 400          HBC2      HEM 400   1.408   9.256  -3.467
  838    HMD  HEM 400          HMD1      HEM 400   6.357  13.591  -4.226
  839   HMDA  HEM 400          HMD2      HEM 400   5.958  12.630  -5.655
  840   HMDB  HEM 400          HMD3      HEM 400   7.198  13.881  -5.738
  841    HAD  HEM 400          HAD1      HEM 400   9.196  14.400  -4.935
  842   HADA  HEM 400          HAD2      HEM 400  10.696  13.677  -4.377
  843    HBD  HEM 400          HBD1      HEM 400   9.745  14.138  -7.117
  844   HBDA  HEM 400          HBD2      HEM 400  10.417  12.530  -6.854
  845    HHA  HEM 400           HA       HEM 400  11.730  11.678  -4.346
  Start of MODEL   20
    1    H1   MET   1           HT1      MET   1  18.468 -15.608  17.380
    2    H2   MET   1           HT2      MET   1  20.153 -15.554  17.516
    3    H3   MET   1           HT3      MET   1  19.355 -14.531  16.427
    4    HA   MET   1           HA       MET   1  18.952 -14.453  19.349
    5    HB2  MET   1           HB2      MET   1  21.210 -13.565  17.879
    6    HB3  MET   1           HB1      MET   1  20.298 -12.134  18.342
    7    HG2  MET   1           HG2      MET   1  22.002 -12.709  19.990
    8    HG3  MET   1           HG1      MET   1  20.374 -12.798  20.665
    9    HE1  MET   1           HE1      MET   1  22.358 -15.619  22.553
   10    HE2  MET   1           HE2      MET   1  21.172 -14.334  22.783
   11    HE3  MET   1           HE3      MET   1  22.769 -13.955  22.143
   12    H    ALA   2           HN       ALA   2  19.191 -11.951  16.834
   13    HA   ALA   2           HA       ALA   2  16.312 -11.494  16.982
   14    HB1  ALA   2           HB1      ALA   2  17.293 -10.162  18.826
   15    HB2  ALA   2           HB2      ALA   2  16.526  -9.162  17.592
   16    HB3  ALA   2           HB3      ALA   2  18.283  -9.303  17.646
   17    H    ALA   3           HN       ALA   3  17.579 -12.508  14.846
   18    HA   ALA   3           HA       ALA   3  17.187 -10.421  12.877
   19    HB1  ALA   3           HB1      ALA   3  19.586 -10.229  13.431
   20    HB2  ALA   3           HB2      ALA   3  19.312 -10.719  11.761
   21    HB3  ALA   3           HB3      ALA   3  19.809 -11.914  12.957
   22    H    GLN   4           HN       GLN   4  15.853 -11.314  11.442
   23    HA   GLN   4           HA       GLN   4  16.385 -14.054  10.572
   24    HB2  GLN   4           HB2      GLN   4  14.141 -14.772  10.800
   25    HB3  GLN   4           HB1      GLN   4  14.545 -13.998  12.326
   26    HG2  GLN   4           HG2      GLN   4  13.328 -12.244  10.310
   27    HG3  GLN   4           HG1      GLN   4  12.292 -13.532  10.919
   28   HE21  GLN   4          HE21      GLN   4  10.930 -12.090  11.970
   29   HE22  GLN   4          HE22      GLN   4  11.411 -11.232  13.394
   30    H    SER   5           HN       SER   5  15.632 -14.539   8.460
   31    HA   SER   5           HA       SER   5  14.842 -12.191   6.871
   32    HB2  SER   5           HB2      SER   5  16.583 -14.413   5.806
   33    HB3  SER   5           HB1      SER   5  16.318 -12.806   5.124
   34    HG   SER   5           HG       SER   5  18.031 -13.628   7.135
   35    H    ASP   6           HN       ASP   6  12.673 -12.992   7.272
   36    HA   ASP   6           HA       ASP   6  11.980 -15.237   5.495
   37    HB2  ASP   6           HB2      ASP   6  11.130 -14.658   8.282
   38    HB3  ASP   6           HB1      ASP   6   9.887 -15.248   7.182
   39    H    LYS   7           HN       LYS   7  11.200 -14.281   3.736
   40    HA   LYS   7           HA       LYS   7   9.325 -12.038   4.066
   41    HB2  LYS   7           HB2      LYS   7  10.914 -12.939   1.656
   42    HB3  LYS   7           HB1      LYS   7   9.711 -11.659   1.616
   43    HG2  LYS   7           HG2      LYS   7  12.221 -11.648   3.284
   44    HG3  LYS   7           HG1      LYS   7  12.003 -10.796   1.756
   45    HD2  LYS   7           HD2      LYS   7  10.063  -9.590   2.842
   46    HD3  LYS   7           HD1      LYS   7  10.589 -10.298   4.372
   47    HE2  LYS   7           HE2      LYS   7  12.846  -9.277   3.949
   48    HE3  LYS   7           HE1      LYS   7  12.132  -8.426   2.584
   49    HZ1  LYS   7           HZ1      LYS   7  11.449  -8.125   5.451
   50    HZ2  LYS   7           HZ2      LYS   7  10.509  -7.472   4.207
   51    HZ3  LYS   7           HZ3      LYS   7  12.109  -6.959   4.415
   52    H    ASP   8           HN       ASP   8   7.244 -12.507   3.901
   53    HA   ASP   8           HA       ASP   8   6.449 -14.818   2.256
   54    HB2  ASP   8           HB2      ASP   8   6.155 -15.380   4.599
   55    HB3  ASP   8           HB1      ASP   8   5.277 -13.882   4.887
   56    H    VAL   9           HN       VAL   9   4.553 -14.613   1.044
   57    HA   VAL   9           HA       VAL   9   3.673 -11.842   0.678
   58    HB   VAL   9           HB       VAL   9   4.489 -12.692  -1.371
   59   HG11  VAL   9          HG11      VAL   9   2.814 -15.149  -0.893
   60   HG12  VAL   9          HG12      VAL   9   4.574 -15.043  -0.895
   61   HG13  VAL   9          HG13      VAL   9   3.674 -14.796  -2.391
   62   HG21  VAL   9          HG21      VAL   9   2.487 -11.449  -1.723
   63   HG22  VAL   9          HG22      VAL   9   1.482 -12.847  -1.344
   64   HG23  VAL   9          HG23      VAL   9   2.454 -12.830  -2.817
   65    H    LYS  10           HN       LYS  10   2.030 -11.491   2.067
   66    HA   LYS  10           HA       LYS  10  -0.014 -13.514   2.447
   67    HB2  LYS  10           HB2      LYS  10   1.003 -11.901   4.241
   68    HB3  LYS  10           HB1      LYS  10  -0.169 -10.755   3.603
   69    HG2  LYS  10           HG2      LYS  10  -1.972 -12.351   4.087
   70    HG3  LYS  10           HG1      LYS  10  -0.784 -13.460   4.776
   71    HD2  LYS  10           HD2      LYS  10  -0.146 -11.517   6.318
   72    HD3  LYS  10           HD1      LYS  10  -1.655 -10.771   5.796
   73    HE2  LYS  10           HE2      LYS  10  -1.348 -13.451   7.143
   74    HE3  LYS  10           HE1      LYS  10  -1.976 -11.980   7.880
   75    HZ1  LYS  10           HZ1      LYS  10  -3.216 -13.648   5.781
   76    HZ2  LYS  10           HZ2      LYS  10  -3.725 -12.066   6.072
   77    HZ3  LYS  10           HZ3      LYS  10  -3.843 -13.227   7.292
   78    H    TYR  11           HN       TYR  11  -2.028 -13.458   1.579
   79    HA   TYR  11           HA       TYR  11  -2.488 -11.479  -0.494
   80    HB2  TYR  11           HB2      TYR  11  -3.432 -14.191   0.085
   81    HB3  TYR  11           HB1      TYR  11  -4.703 -13.117  -0.486
   82    HD1  TYR  11           HD2      TYR  11  -1.187 -12.764  -1.522
   83    HD2  TYR  11           HD1      TYR  11  -5.029 -14.247  -2.579
   84    HE1  TYR  11           HE2      TYR  11  -0.419 -13.087  -3.833
   85    HE2  TYR  11           HE1      TYR  11  -4.272 -14.578  -4.894
   86    HH   TYR  11           HH       TYR  11  -0.916 -14.133  -5.813
   87    H    TYR  12           HN       TYR  12  -3.290  -9.626   0.127
   88    HA   TYR  12           HA       TYR  12  -5.164  -9.501   2.363
   89    HB2  TYR  12           HB2      TYR  12  -3.701  -7.359   0.811
   90    HB3  TYR  12           HB1      TYR  12  -4.854  -7.022   2.098
   91    HD1  TYR  12           HD2      TYR  12  -4.306  -7.679   4.436
   92    HD2  TYR  12           HD1      TYR  12  -1.473  -8.025   1.284
   93    HE1  TYR  12           HE2      TYR  12  -2.494  -7.842   6.089
   94    HE2  TYR  12           HE1      TYR  12   0.350  -8.186   2.927
   95    HH   TYR  12           HH       TYR  12  -0.267  -8.577   6.320
   96    H    THR  13           HN       THR  13  -7.114  -8.323   2.194
   97    HA   THR  13           HA       THR  13  -8.352  -8.530  -0.460
   98    HB   THR  13           HB       THR  13 -10.106  -7.879   1.806
   99    HG1  THR  13           HG1      THR  13  -8.461  -9.247   2.817
  100   HG21  THR  13          HG21      THR  13 -11.425  -9.721   0.887
  101   HG22  THR  13          HG22      THR  13 -10.086 -10.167  -0.174
  102   HG23  THR  13          HG23      THR  13 -10.916  -8.624  -0.400
  103    H    LEU  14           HN       LEU  14  -9.712  -6.780  -1.224
  104    HA   LEU  14           HA       LEU  14  -8.513  -4.270  -1.089
  105    HB2  LEU  14           HB2      LEU  14 -10.012  -5.034  -2.897
  106    HB3  LEU  14           HB1      LEU  14 -11.374  -4.895  -1.803
  107    HG   LEU  14           HG       LEU  14 -10.847  -2.438  -1.610
  108   HD11  LEU  14          HD11      LEU  14  -9.481  -1.425  -3.349
  109   HD12  LEU  14          HD12      LEU  14  -9.054  -3.024  -3.959
  110   HD13  LEU  14          HD13      LEU  14  -8.527  -2.524  -2.350
  111   HD21  LEU  14          HD21      LEU  14 -11.883  -1.871  -3.752
  112   HD22  LEU  14          HD22      LEU  14 -12.669  -3.260  -3.003
  113   HD23  LEU  14          HD23      LEU  14 -11.551  -3.498  -4.347
  114    H    GLU  15           HN       GLU  15 -11.470  -5.386   0.557
  115    HA   GLU  15           HA       GLU  15 -11.789  -2.885   1.947
  116    HB2  GLU  15           HB2      GLU  15 -13.664  -3.977   3.067
  117    HB3  GLU  15           HB1      GLU  15 -13.730  -4.255   1.333
  118    HG2  GLU  15           HG2      GLU  15 -12.389  -6.294   3.021
  119    HG3  GLU  15           HG1      GLU  15 -14.148  -6.188   3.077
  120    H    GLU  16           HN       GLU  16  -9.611  -5.279   2.345
  121    HA   GLU  16           HA       GLU  16  -9.661  -5.286   5.264
  122    HB2  GLU  16           HB2      GLU  16  -9.309  -7.424   4.226
  123    HB3  GLU  16           HB1      GLU  16  -8.000  -6.789   3.241
  124    HG2  GLU  16           HG2      GLU  16  -6.710  -6.394   5.328
  125    HG3  GLU  16           HG1      GLU  16  -7.998  -7.208   6.217
  126    H    ILE  17           HN       ILE  17  -7.475  -4.429   2.597
  127    HA   ILE  17           HA       ILE  17  -5.474  -3.347   4.305
  128    HB   ILE  17           HB       ILE  17  -4.708  -2.168   2.129
  129   HG12  ILE  17          HG12      ILE  17  -5.646  -3.911   0.250
  130   HG13  ILE  17          HG11      ILE  17  -7.085  -3.648   1.226
  131   HG21  ILE  17          HG21      ILE  17  -3.890  -4.454   1.265
  132   HG22  ILE  17          HG22      ILE  17  -4.711  -5.100   2.688
  133   HG23  ILE  17          HG23      ILE  17  -3.411  -3.925   2.878
  134   HD11  ILE  17          HD11      ILE  17  -6.922  -2.126  -0.691
  135   HD12  ILE  17          HD12      ILE  17  -5.434  -1.466  -0.014
  136   HD13  ILE  17          HD13      ILE  17  -6.957  -1.277   0.854
  137    H    LYS  18           HN       LYS  18  -8.172  -1.893   2.524
  138    HA   LYS  18           HA       LYS  18  -7.406   0.771   3.258
  139    HB2  LYS  18           HB2      LYS  18  -9.396   1.507   2.181
  140    HB3  LYS  18           HB1      LYS  18  -8.698   0.231   1.197
  141    HG2  LYS  18           HG2      LYS  18 -10.410  -1.231   1.634
  142    HG3  LYS  18           HG1      LYS  18 -10.794  -0.486   3.187
  143    HD2  LYS  18           HD2      LYS  18 -12.549  -0.027   1.561
  144    HD3  LYS  18           HD1      LYS  18 -11.719   1.462   2.015
  145    HE2  LYS  18           HE2      LYS  18 -10.241   0.808  -0.099
  146    HE3  LYS  18           HE1      LYS  18 -11.735  -0.003  -0.565
  147    HZ1  LYS  18           HZ1      LYS  18 -11.398   2.877   0.069
  148    HZ2  LYS  18           HZ2      LYS  18 -12.893   2.135  -0.192
  149    HZ3  LYS  18           HZ3      LYS  18 -11.753   2.204  -1.439
  150    H    LYS  19           HN       LYS  19  -8.587  -1.666   5.070
  151    HA   LYS  19           HA       LYS  19 -10.188   0.092   6.800
  152    HB2  LYS  19           HB2      LYS  19 -10.283  -2.746   6.137
  153    HB3  LYS  19           HB1      LYS  19 -10.268  -2.471   7.875
  154    HG2  LYS  19           HG2      LYS  19 -12.543  -2.623   6.954
  155    HG3  LYS  19           HG1      LYS  19 -12.217  -1.067   7.717
  156    HD2  LYS  19           HD2      LYS  19 -12.072   0.044   5.660
  157    HD3  LYS  19           HD1      LYS  19 -11.868  -1.461   4.761
  158    HE2  LYS  19           HE2      LYS  19 -14.110  -0.425   4.498
  159    HE3  LYS  19           HE1      LYS  19 -14.153  -2.066   5.138
  160    HZ1  LYS  19           HZ1      LYS  19 -15.592  -0.237   6.215
  161    HZ2  LYS  19           HZ2      LYS  19 -14.158   0.221   6.988
  162    HZ3  LYS  19           HZ3      LYS  19 -14.779  -1.336   7.208
  163    H    HIS  20           HN       HIS  20  -7.108  -0.817   6.351
  164    HA   HIS  20           HA       HIS  20  -6.477  -0.714   9.231
  165    HB2  HIS  20           HB2      HIS  20  -5.265  -2.338   7.016
  166    HB3  HIS  20           HB1      HIS  20  -4.280  -1.872   8.395
  167    HD1  HIS  20           HD1      HIS  20  -7.035  -4.145   7.367
  168    HD2  HIS  20           HD2      HIS  20  -4.979  -3.114  10.831
  169    HE1  HIS  20           HE1      HIS  20  -7.590  -5.935   9.046
  170    HE2  HIS  20           HE2      HIS  20  -6.459  -5.208  11.174
  171    H    ASN  21           HN       ASN  21  -6.555   1.099   6.592
  172    HA   ASN  21           HA       ASN  21  -3.910   2.142   6.422
  173    HB2  ASN  21           HB2      ASN  21  -4.907   3.896   5.005
  174    HB3  ASN  21           HB1      ASN  21  -5.393   2.282   4.507
  175   HD21  ASN  21          HD21      ASN  21  -6.759   4.491   3.681
  176   HD22  ASN  21          HD22      ASN  21  -8.328   4.513   4.412
  177    H    HIS  22           HN       HIS  22  -3.749   2.340   8.797
  178    HA   HIS  22           HA       HIS  22  -4.623   5.019   9.650
  179    HB2  HIS  22           HB2      HIS  22  -4.301   2.505  11.301
  180    HB3  HIS  22           HB1      HIS  22  -4.487   4.107  12.004
  181    HD1  HIS  22           HD1      HIS  22  -6.832   5.055  12.144
  182    HD2  HIS  22           HD2      HIS  22  -6.636   1.548   9.919
  183    HE1  HIS  22           HE1      HIS  22  -9.220   4.386  11.719
  184    HE2  HIS  22           HE2      HIS  22  -9.076   2.192  10.488
  185    H    SER  23           HN       SER  23  -3.112   5.625  11.672
  186    HA   SER  23           HA       SER  23  -0.578   6.126  10.557
  187    HB2  SER  23           HB2      SER  23  -0.881   6.381  13.485
  188    HB3  SER  23           HB1      SER  23  -0.357   7.569  12.290
  189    HG   SER  23           HG       SER  23  -2.300   8.326  12.785
  190    H    LYS  24           HN       LYS  24  -1.736   3.465  12.411
  191    HA   LYS  24           HA       LYS  24   0.978   2.669  13.153
  192    HB2  LYS  24           HB2      LYS  24  -0.086   0.962  14.544
  193    HB3  LYS  24           HB1      LYS  24  -0.724   2.558  14.910
  194    HG2  LYS  24           HG2      LYS  24  -2.746   2.100  13.758
  195    HG3  LYS  24           HG1      LYS  24  -2.088   0.612  13.072
  196    HD2  LYS  24           HD2      LYS  24  -1.897  -0.318  15.352
  197    HD3  LYS  24           HD1      LYS  24  -2.651   1.145  15.990
  198    HE2  LYS  24           HE2      LYS  24  -4.685   0.684  14.816
  199    HE3  LYS  24           HE1      LYS  24  -3.936  -0.656  13.948
  200    HZ1  LYS  24           HZ1      LYS  24  -4.387  -0.547  16.882
  201    HZ2  LYS  24           HZ2      LYS  24  -3.698  -1.836  16.036
  202    HZ3  LYS  24           HZ3      LYS  24  -5.317  -1.427  15.776
  203    H    SER  25           HN       SER  25  -1.038   2.244  10.550
  204    HA   SER  25           HA       SER  25   0.493  -0.019   9.630
  205    HB2  SER  25           HB2      SER  25  -2.511  -0.297   9.906
  206    HB3  SER  25           HB1      SER  25  -1.429  -1.472   9.162
  207    HG   SER  25           HG       SER  25  -0.461  -0.950  11.561
  208    H    THR  26           HN       THR  26   0.651   2.402   8.558
  209    HA   THR  26           HA       THR  26  -1.263   2.896   6.498
  210    HB   THR  26           HB       THR  26   1.522   3.963   6.310
  211    HG1  THR  26           HG1      THR  26  -0.277   4.342   8.435
  212   HG21  THR  26          HG21      THR  26   0.312   6.011   5.682
  213   HG22  THR  26          HG22      THR  26  -1.223   5.186   5.961
  214   HG23  THR  26          HG23      THR  26  -0.151   4.647   4.666
  215    H    TRP  27           HN       TRP  27  -1.528   1.303   5.053
  216    HA   TRP  27           HA       TRP  27   0.834   0.134   3.768
  217    HB2  TRP  27           HB2      TRP  27  -2.038  -0.806   3.925
  218    HB3  TRP  27           HB1      TRP  27  -0.815  -1.577   2.918
  219    HD1  TRP  27           HD1      TRP  27   1.456  -1.106   5.348
  220    HE1  TRP  27           HE1      TRP  27   1.469  -2.848   7.238
  221    HE3  TRP  27           HE3      TRP  27  -3.245  -3.001   4.704
  222    HZ2  TRP  27           HZ2      TRP  27  -0.307  -4.779   8.317
  223    HZ3  TRP  27           HZ3      TRP  27  -4.012  -4.793   6.203
  224    HH2  TRP  27           HH2      TRP  27  -2.573  -5.663   7.972
  225    H    LEU  28           HN       LEU  28   1.085   0.175   1.562
  226    HA   LEU  28           HA       LEU  28  -0.821   1.844   0.062
  227    HB2  LEU  28           HB2      LEU  28   1.917   2.376   0.652
  228    HB3  LEU  28           HB1      LEU  28   1.783   2.070  -1.068
  229    HG   LEU  28           HG       LEU  28   0.002   4.053   0.326
  230   HD11  LEU  28          HD11      LEU  28   2.727   4.509  -0.879
  231   HD12  LEU  28          HD12      LEU  28   2.236   4.795   0.790
  232   HD13  LEU  28          HD13      LEU  28   1.574   5.790  -0.507
  233   HD21  LEU  28          HD21      LEU  28   0.813   3.574  -2.534
  234   HD22  LEU  28          HD22      LEU  28  -0.068   4.998  -1.985
  235   HD23  LEU  28          HD23      LEU  28  -0.792   3.400  -1.822
  236    H    ILE  29           HN       ILE  29  -1.168   1.296  -2.086
  237    HA   ILE  29           HA       ILE  29  -0.211  -1.382  -2.834
  238    HB   ILE  29           HB       ILE  29  -2.599   0.157  -3.868
  239   HG12  ILE  29          HG12      ILE  29  -2.510  -2.331  -2.153
  240   HG13  ILE  29          HG11      ILE  29  -2.796  -0.709  -1.533
  241   HG21  ILE  29          HG21      ILE  29  -3.190  -1.936  -5.016
  242   HG22  ILE  29          HG22      ILE  29  -1.661  -2.642  -4.489
  243   HG23  ILE  29          HG23      ILE  29  -1.664  -1.268  -5.596
  244   HD11  ILE  29          HD11      ILE  29  -4.528  -2.017  -3.606
  245   HD12  ILE  29          HD12      ILE  29  -4.854  -0.542  -2.696
  246   HD13  ILE  29          HD13      ILE  29  -4.837  -2.101  -1.872
  247    H    LEU  30           HN       LEU  30   1.326  -1.475  -4.286
  248    HA   LEU  30           HA       LEU  30   1.403   0.529  -6.441
  249    HB2  LEU  30           HB2      LEU  30   3.844  -0.584  -5.055
  250    HB3  LEU  30           HB1      LEU  30   3.820   0.618  -6.329
  251    HG   LEU  30           HG       LEU  30   2.610   1.069  -3.604
  252   HD11  LEU  30          HD11      LEU  30   4.593   2.343  -3.055
  253   HD12  LEU  30          HD12      LEU  30   5.317   1.930  -4.610
  254   HD13  LEU  30          HD13      LEU  30   5.021   0.670  -3.409
  255   HD21  LEU  30          HD21      LEU  30   3.360   2.976  -5.816
  256   HD22  LEU  30          HD22      LEU  30   2.688   3.417  -4.248
  257   HD23  LEU  30          HD23      LEU  30   1.722   2.482  -5.386
  258    H    HIS  31           HN       HIS  31   1.151  -0.467  -8.304
  259    HA   HIS  31           HA       HIS  31   1.243  -1.989  -9.983
  260    HB2  HIS  31           HB2      HIS  31   3.627  -2.905  -8.386
  261    HB3  HIS  31           HB1      HIS  31   3.095  -3.794  -9.807
  262    HD1  HIS  31           HD1      HIS  31   3.849  -2.930 -12.040
  263    HD2  HIS  31           HD2      HIS  31   4.478  -0.193  -8.972
  264    HE1  HIS  31           HE1      HIS  31   5.207  -1.074 -13.056
  265    HE2  HIS  31           HE2      HIS  31   5.609   0.556 -11.181
  266    H    HIS  32           HN       HIS  32  -0.478  -2.288  -7.768
  267    HA   HIS  32           HA       HIS  32  -2.090  -3.680  -7.013
  268    HB2  HIS  32           HB2      HIS  32  -0.926  -5.588  -9.044
  269    HB3  HIS  32           HB1      HIS  32  -2.365  -5.936  -8.089
  270    HD1  HIS  32           HD1      HIS  32  -1.287  -4.404 -11.197
  271    HD2  HIS  32           HD2      HIS  32  -4.530  -4.014  -8.624
  272    HE1  HIS  32           HE1      HIS  32  -3.073  -3.239 -12.530
  273    HE2  HIS  32           HE2      HIS  32  -4.936  -2.833 -10.889
  274    H    LYS  33           HN       LYS  33   0.726  -3.634  -5.948
  275    HA   LYS  33           HA       LYS  33   0.564  -6.117  -4.362
  276    HB2  LYS  33           HB2      LYS  33   3.085  -4.539  -4.885
  277    HB3  LYS  33           HB1      LYS  33   2.950  -6.144  -4.182
  278    HG2  LYS  33           HG2      LYS  33   2.301  -7.083  -6.280
  279    HG3  LYS  33           HG1      LYS  33   2.162  -5.485  -7.011
  280    HD2  LYS  33           HD2      LYS  33   4.222  -6.183  -7.783
  281    HD3  LYS  33           HD1      LYS  33   4.665  -5.257  -6.347
  282    HE2  LYS  33           HE2      LYS  33   5.922  -7.249  -6.245
  283    HE3  LYS  33           HE1      LYS  33   4.613  -7.447  -5.082
  284    HZ1  LYS  33           HZ1      LYS  33   5.009  -9.421  -6.496
  285    HZ2  LYS  33           HZ2      LYS  33   4.555  -8.516  -7.848
  286    HZ3  LYS  33           HZ3      LYS  33   3.427  -8.822  -6.626
  287    H    VAL  34           HN       VAL  34   1.106  -5.912  -2.094
  288    HA   VAL  34           HA       VAL  34   0.531  -3.201  -1.101
  289    HB   VAL  34           HB       VAL  34   0.404  -5.715   0.549
  290   HG11  VAL  34          HG11      VAL  34  -1.160  -4.388   1.902
  291   HG12  VAL  34          HG12      VAL  34  -0.930  -3.019   0.814
  292   HG13  VAL  34          HG13      VAL  34   0.421  -3.614   1.780
  293   HG21  VAL  34          HG21      VAL  34  -1.052  -6.117  -1.328
  294   HG22  VAL  34          HG22      VAL  34  -1.780  -4.520  -1.155
  295   HG23  VAL  34          HG23      VAL  34  -2.033  -5.743   0.089
  296    H    TYR  35           HN       TYR  35   1.952  -2.090   0.059
  297    HA   TYR  35           HA       TYR  35   4.359  -3.478   1.047
  298    HB2  TYR  35           HB2      TYR  35   4.205  -0.699  -0.152
  299    HB3  TYR  35           HB1      TYR  35   5.649  -1.439   0.531
  300    HD1  TYR  35           HD1      TYR  35   3.278  -1.511  -2.273
  301    HD2  TYR  35           HD2      TYR  35   6.892  -3.093  -0.699
  302    HE1  TYR  35           HE1      TYR  35   3.793  -2.488  -4.466
  303    HE2  TYR  35           HE2      TYR  35   7.423  -4.078  -2.891
  304    HH   TYR  35           HH       TYR  35   5.730  -3.256  -5.734
  305    H    ASP  36           HN       ASP  36   5.139  -2.892   3.030
  306    HA   ASP  36           HA       ASP  36   3.329  -1.287   4.693
  307    HB2  ASP  36           HB2      ASP  36   3.837  -3.613   5.405
  308    HB3  ASP  36           HB1      ASP  36   5.540  -3.187   5.519
  309    H    LEU  37           HN       LEU  37   3.890   0.765   5.001
  310    HA   LEU  37           HA       LEU  37   6.685   1.405   5.569
  311    HB2  LEU  37           HB2      LEU  37   6.804   3.207   4.021
  312    HB3  LEU  37           HB1      LEU  37   6.252   1.806   3.125
  313    HG   LEU  37           HG       LEU  37   4.247   3.759   4.188
  314   HD11  LEU  37          HD11      LEU  37   5.817   4.091   1.635
  315   HD12  LEU  37          HD12      LEU  37   5.907   5.131   3.055
  316   HD13  LEU  37          HD13      LEU  37   4.417   5.046   2.120
  317   HD21  LEU  37          HD21      LEU  37   4.333   2.039   1.711
  318   HD22  LEU  37          HD22      LEU  37   2.983   3.038   2.246
  319   HD23  LEU  37          HD23      LEU  37   3.484   1.648   3.205
  320    H    THR  38           HN       THR  38   4.333   1.167   7.204
  321    HA   THR  38           HA       THR  38   3.132   3.643   7.771
  322    HB   THR  38           HB       THR  38   2.367   1.307   8.478
  323    HG1  THR  38           HG1      THR  38   2.291   3.615  10.129
  324   HG21  THR  38          HG21      THR  38   4.235   1.910  10.774
  325   HG22  THR  38          HG22      THR  38   4.361   0.565   9.643
  326   HG23  THR  38          HG23      THR  38   3.008   0.644  10.769
  327    H    LYS  39           HN       LYS  39   6.215   2.343   8.728
  328    HA   LYS  39           HA       LYS  39   6.524   4.518  10.678
  329    HB2  LYS  39           HB2      LYS  39   7.503   1.788  10.532
  330    HB3  LYS  39           HB1      LYS  39   8.812   2.935  10.793
  331    HG2  LYS  39           HG2      LYS  39   6.320   2.710  12.471
  332    HG3  LYS  39           HG1      LYS  39   7.915   2.083  12.899
  333    HD2  LYS  39           HD2      LYS  39   8.568   4.081  13.648
  334    HD3  LYS  39           HD1      LYS  39   8.078   4.861  12.145
  335    HE2  LYS  39           HE2      LYS  39   5.726   4.844  13.012
  336    HE3  LYS  39           HE1      LYS  39   6.369   4.285  14.554
  337    HZ1  LYS  39           HZ1      LYS  39   7.760   6.316  14.591
  338    HZ2  LYS  39           HZ2      LYS  39   6.105   6.640  14.637
  339    HZ3  LYS  39           HZ3      LYS  39   6.962   6.858  13.204
  340    H    PHE  40           HN       PHE  40   6.879   4.193   7.537
  341    HA   PHE  40           HA       PHE  40   9.442   5.644   7.444
  342    HB2  PHE  40           HB2      PHE  40   8.165   3.826   5.394
  343    HB3  PHE  40           HB1      PHE  40   9.542   4.865   5.042
  344    HD1  PHE  40           HD1      PHE  40   8.403   1.899   6.869
  345    HD2  PHE  40           HD2      PHE  40  11.734   4.355   5.881
  346    HE1  PHE  40           HE1      PHE  40   9.929   0.158   7.702
  347    HE2  PHE  40           HE2      PHE  40  13.265   2.617   6.709
  348    HZ   PHE  40           HZ       PHE  40  12.363   0.515   7.620
  349    H    LEU  41           HN       LEU  41   6.407   6.359   7.648
  350    HA   LEU  41           HA       LEU  41   5.670   7.781   5.353
  351    HB2  LEU  41           HB2      LEU  41   4.956   8.336   8.232
  352    HB3  LEU  41           HB1      LEU  41   4.130   9.007   6.837
  353    HG   LEU  41           HG       LEU  41   4.258   6.065   7.519
  354   HD11  LEU  41          HD11      LEU  41   2.929   7.344   9.130
  355   HD12  LEU  41          HD12      LEU  41   1.922   6.293   8.134
  356   HD13  LEU  41          HD13      LEU  41   1.986   8.025   7.801
  357   HD21  LEU  41          HD21      LEU  41   2.708   7.556   5.408
  358   HD22  LEU  41          HD22      LEU  41   2.534   5.845   5.791
  359   HD23  LEU  41          HD23      LEU  41   4.052   6.450   5.129
  360    H    GLU  42           HN       GLU  42   7.092   9.032   8.371
  361    HA   GLU  42           HA       GLU  42   7.616  11.602   7.163
  362    HB2  GLU  42           HB2      GLU  42   8.714  12.061   9.412
  363    HB3  GLU  42           HB1      GLU  42   6.993  11.704   9.447
  364    HG2  GLU  42           HG2      GLU  42   8.153   9.230   9.747
  365    HG3  GLU  42           HG1      GLU  42   9.219  10.294  10.664
  366    H    GLU  43           HN       GLU  43   9.036   8.822   6.629
  367    HA   GLU  43           HA       GLU  43  11.774   9.902   6.671
  368    HB2  GLU  43           HB2      GLU  43  11.036   6.985   6.403
  369    HB3  GLU  43           HB1      GLU  43  12.606   7.670   6.794
  370    HG2  GLU  43           HG2      GLU  43  11.072   8.641   8.820
  371    HG3  GLU  43           HG1      GLU  43  10.331   7.069   8.526
  372    H    HIS  44           HN       HIS  44   9.237   9.654   4.747
  373    HA   HIS  44           HA       HIS  44  10.587   8.722   2.341
  374    HB2  HIS  44           HB2      HIS  44   8.322   7.916   2.675
  375    HB3  HIS  44           HB1      HIS  44   7.725   9.561   2.867
  376    HD1  HIS  44           HD1      HIS  44   6.775  10.586   0.789
  377    HD2  HIS  44           HD2      HIS  44   9.389   7.460  -0.033
  378    HE1  HIS  44           HE1      HIS  44   6.734  10.267  -1.725
  379    HA   PRO  45           HA       PRO  45  11.633  12.984   1.424
  380    HB2  PRO  45           HB2      PRO  45  12.523  11.985  -1.173
  381    HB3  PRO  45           HB1      PRO  45  13.478  12.683   0.138
  382    HG2  PRO  45           HG2      PRO  45  13.645  10.082  -0.525
  383    HG3  PRO  45           HG1      PRO  45  13.875  10.669   1.133
  384    HD2  PRO  45           HD2      PRO  45  11.475   9.372  -0.089
  385    HD3  PRO  45           HD1      PRO  45  12.189   9.145   1.523
  386    H    GLY  46           HN       GLY  46   9.594  13.879   1.167
  387    HA2  GLY  46           HA2      GLY  46   8.754  14.959  -1.128
  388    HA3  GLY  46           HA1      GLY  46   8.061  13.348  -1.245
  389    H    GLY  47           HN       GLY  47   7.894  13.453   1.830
  390    HA2  GLY  47           HA2      GLY  47   6.556  14.903   3.318
  391    HA3  GLY  47           HA1      GLY  47   5.499  15.180   1.942
  392    H    GLU  48           HN       GLU  48   4.432  14.342   4.303
  393    HA   GLU  48           HA       GLU  48   3.989  11.463   4.015
  394    HB2  GLU  48           HB2      GLU  48   2.821  11.722   6.242
  395    HB3  GLU  48           HB1      GLU  48   4.547  12.062   6.250
  396    HG2  GLU  48           HG2      GLU  48   4.216  14.360   6.449
  397    HG3  GLU  48           HG1      GLU  48   2.540  14.256   5.916
  398    H    GLU  49           HN       GLU  49   2.546  14.412   3.213
  399    HA   GLU  49           HA       GLU  49  -0.185  13.757   3.566
  400    HB2  GLU  49           HB2      GLU  49   0.659  16.070   3.264
  401    HB3  GLU  49           HB1      GLU  49   1.018  15.695   1.586
  402    HG2  GLU  49           HG2      GLU  49  -1.031  16.845   1.576
  403    HG3  GLU  49           HG1      GLU  49  -1.417  15.150   1.295
  404    H    VAL  50           HN       VAL  50   1.968  13.556   0.739
  405    HA   VAL  50           HA       VAL  50   0.051  12.556  -1.058
  406    HB   VAL  50           HB       VAL  50   1.998  11.669  -2.361
  407   HG11  VAL  50          HG11      VAL  50   1.979  14.525  -1.423
  408   HG12  VAL  50          HG12      VAL  50   1.266  13.845  -2.886
  409   HG13  VAL  50          HG13      VAL  50   3.019  13.956  -2.728
  410   HG21  VAL  50          HG21      VAL  50   4.265  12.327  -1.592
  411   HG22  VAL  50          HG22      VAL  50   3.506  11.100  -0.577
  412   HG23  VAL  50          HG23      VAL  50   3.567  12.777  -0.036
  413    H    LEU  51           HN       LEU  51   1.596  11.042   1.582
  414    HA   LEU  51           HA       LEU  51   1.231   8.359   0.522
  415    HB2  LEU  51           HB2      LEU  51   2.173   9.191   3.261
  416    HB3  LEU  51           HB1      LEU  51   2.297   7.591   2.556
  417    HG   LEU  51           HG       LEU  51   3.726  10.032   1.506
  418   HD11  LEU  51          HD11      LEU  51   4.490   9.382   3.753
  419   HD12  LEU  51          HD12      LEU  51   5.720   9.135   2.518
  420   HD13  LEU  51          HD13      LEU  51   4.821   7.759   3.153
  421   HD21  LEU  51          HD21      LEU  51   4.073   7.106   0.849
  422   HD22  LEU  51          HD22      LEU  51   5.004   8.447   0.182
  423   HD23  LEU  51          HD23      LEU  51   3.285   8.302  -0.179
  424    H    ARG  52           HN       ARG  52  -0.122  10.460   3.042
  425    HA   ARG  52           HA       ARG  52  -1.827   8.459   4.117
  426    HB2  ARG  52           HB2      ARG  52  -2.962  10.318   5.284
  427    HB3  ARG  52           HB1      ARG  52  -1.219  10.336   5.493
  428    HG2  ARG  52           HG2      ARG  52  -1.440  12.514   5.029
  429    HG3  ARG  52           HG1      ARG  52  -1.468  11.959   3.354
  430    HD2  ARG  52           HD2      ARG  52  -3.284  13.542   3.840
  431    HD3  ARG  52           HD1      ARG  52  -3.890  11.956   3.362
  432    HE   ARG  52           HE       ARG  52  -4.670  11.608   5.526
  433   HH11  ARG  52          HH11      ARG  52  -2.953  14.678   5.242
  434   HH12  ARG  52          HH12      ARG  52  -3.588  15.293   6.819
  435   HH21  ARG  52          HH21      ARG  52  -5.466  12.352   7.532
  436   HH22  ARG  52          HH22      ARG  52  -4.978  13.992   8.101
  437    H    GLU  53           HN       GLU  53  -2.200  10.751   1.488
  438    HA   GLU  53           HA       GLU  53  -5.048  10.336   1.318
  439    HB2  GLU  53           HB2      GLU  53  -4.919  11.682  -0.731
  440    HB3  GLU  53           HB1      GLU  53  -4.120  12.466   0.624
  441    HG2  GLU  53           HG2      GLU  53  -1.966  11.885  -0.226
  442    HG3  GLU  53           HG1      GLU  53  -2.685  10.887  -1.490
  443    H    GLN  54           HN       GLN  54  -2.443   8.468   0.510
  444    HA   GLN  54           HA       GLN  54  -3.982   7.061  -1.569
  445    HB2  GLN  54           HB2      GLN  54  -0.982   7.270  -1.259
  446    HB3  GLN  54           HB1      GLN  54  -1.788   6.223  -2.417
  447    HG2  GLN  54           HG2      GLN  54  -2.138   9.204  -2.367
  448    HG3  GLN  54           HG1      GLN  54  -0.915   8.385  -3.330
  449   HE21  GLN  54          HE21      GLN  54  -4.331   8.935  -2.893
  450   HE22  GLN  54          HE22      GLN  54  -4.815   8.377  -4.458
  451    H    ALA  55           HN       ALA  55  -3.401   6.975   1.531
  452    HA   ALA  55           HA       ALA  55  -2.285   4.427   2.048
  453    HB1  ALA  55           HB1      ALA  55  -4.182   5.982   3.803
  454    HB2  ALA  55           HB2      ALA  55  -2.445   6.272   3.709
  455    HB3  ALA  55           HB3      ALA  55  -3.050   4.727   4.307
  456    H    GLY  56           HN       GLY  56  -3.122   2.549   1.520
  457    HA2  GLY  56           HA2      GLY  56  -4.704   0.834   1.546
  458    HA3  GLY  56           HA1      GLY  56  -5.936   2.005   2.002
  459    H    GLY  57           HN       GLY  57  -4.065   3.080  -0.580
  460    HA2  GLY  57           HA2      GLY  57  -6.007   2.033  -2.539
  461    HA3  GLY  57           HA1      GLY  57  -5.585   3.740  -2.496
  462    H    ASP  58           HN       ASP  58  -5.193   2.754  -4.844
  463    HA   ASP  58           HA       ASP  58  -2.476   1.690  -5.055
  464    HB2  ASP  58           HB2      ASP  58  -4.192   0.580  -6.398
  465    HB3  ASP  58           HB1      ASP  58  -4.613   2.110  -7.158
  466    H    ALA  59           HN       ALA  59  -0.822   2.976  -5.404
  467    HA   ALA  59           HA       ALA  59  -1.337   5.648  -6.536
  468    HB1  ALA  59           HB1      ALA  59   0.632   6.426  -5.315
  469    HB2  ALA  59           HB2      ALA  59   0.869   4.807  -4.660
  470    HB3  ALA  59           HB3      ALA  59  -0.563   5.733  -4.218
  471    H    THR  60           HN       THR  60  -0.678   2.970  -7.811
  472    HA   THR  60           HA       THR  60   1.948   2.940  -8.772
  473    HB   THR  60           HB       THR  60  -0.491   2.016 -10.295
  474    HG1  THR  60           HG1      THR  60  -0.759   0.826  -8.534
  475   HG21  THR  60          HG21      THR  60   2.366   1.036 -10.278
  476   HG22  THR  60          HG22      THR  60   1.597   1.967 -11.563
  477   HG23  THR  60          HG23      THR  60   1.039   0.333 -11.207
  478    H    GLU  61           HN       GLU  61  -0.938   4.569  -9.935
  479    HA   GLU  61           HA       GLU  61   0.032   5.490 -12.394
  480    HB2  GLU  61           HB2      GLU  61  -1.756   7.304 -12.050
  481    HB3  GLU  61           HB1      GLU  61  -2.283   5.628 -12.099
  482    HG2  GLU  61           HG2      GLU  61  -2.404   5.582  -9.668
  483    HG3  GLU  61           HG1      GLU  61  -1.843   7.252  -9.600
  484    H    ASN  62           HN       ASN  62   0.337   6.809  -9.147
  485    HA   ASN  62           HA       ASN  62   1.563   9.250 -10.111
  486    HB2  ASN  62           HB2      ASN  62   0.094   9.086  -8.023
  487    HB3  ASN  62           HB1      ASN  62   1.469   8.309  -7.243
  488   HD21  ASN  62          HD21      ASN  62   0.209  11.262  -8.561
  489   HD22  ASN  62          HD22      ASN  62   1.414  12.312  -7.901
  490    H    PHE  63           HN       PHE  63   2.490   6.201  -8.717
  491    HA   PHE  63           HA       PHE  63   5.132   6.686  -7.998
  492    HB2  PHE  63           HB2      PHE  63   3.675   4.596  -7.620
  493    HB3  PHE  63           HB1      PHE  63   4.195   4.092  -9.221
  494    HD1  PHE  63           HD2      PHE  63   5.244   4.703  -5.769
  495    HD2  PHE  63           HD1      PHE  63   6.440   3.326  -9.613
  496    HE1  PHE  63           HE2      PHE  63   7.258   3.702  -4.777
  497    HE2  PHE  63           HE1      PHE  63   8.457   2.320  -8.627
  498    HZ   PHE  63           HZ       PHE  63   8.869   2.506  -6.205
  499    H    GLU  64           HN       GLU  64   3.829   5.548 -11.107
  500    HA   GLU  64           HA       GLU  64   6.443   5.676 -12.333
  501    HB2  GLU  64           HB2      GLU  64   5.340   4.866 -14.341
  502    HB3  GLU  64           HB1      GLU  64   4.878   3.895 -12.951
  503    HG2  GLU  64           HG2      GLU  64   2.741   5.026 -12.832
  504    HG3  GLU  64           HG1      GLU  64   3.209   6.095 -14.155
  505    H    ASP  65           HN       ASP  65   3.749   7.770 -11.943
  506    HA   ASP  65           HA       ASP  65   4.139   9.390 -14.243
  507    HB2  ASP  65           HB2      ASP  65   2.032   9.428 -12.970
  508    HB3  ASP  65           HB1      ASP  65   2.881  10.120 -11.589
  509    H    VAL  66           HN       VAL  66   5.106   9.761 -10.852
  510    HA   VAL  66           HA       VAL  66   6.626  12.125 -11.325
  511    HB   VAL  66           HB       VAL  66   6.716  10.176  -9.011
  512   HG11  VAL  66          HG11      VAL  66   8.789  11.531  -9.257
  513   HG12  VAL  66          HG12      VAL  66   7.900  11.864  -7.773
  514   HG13  VAL  66          HG13      VAL  66   7.804  12.988  -9.126
  515   HG21  VAL  66          HG21      VAL  66   5.326  12.842  -9.293
  516   HG22  VAL  66          HG22      VAL  66   5.358  11.843  -7.842
  517   HG23  VAL  66          HG23      VAL  66   4.541  11.263  -9.292
  518    H    GLY  67           HN       GLY  67   7.598   8.784 -10.543
  519    HA2  GLY  67           HA2      GLY  67   9.287   7.732 -11.974
  520    HA3  GLY  67           HA1      GLY  67  10.089   9.294 -12.041
  521    H    HIS  68           HN       HIS  68  10.473   6.381 -10.847
  522    HA   HIS  68           HA       HIS  68  11.764   7.367  -8.400
  523    HB2  HIS  68           HB2      HIS  68  10.158   4.869  -8.851
  524    HB3  HIS  68           HB1      HIS  68  11.399   4.913  -7.602
  525    HD1  HIS  68           HD1      HIS  68   8.069   6.479  -8.486
  526    HD2  HIS  68           HD2      HIS  68  10.770   6.299  -5.329
  527    HE1  HIS  68           HE1      HIS  68   6.913   7.533  -6.501
  528    H    SER  69           HN       SER  69  13.802   6.679  -7.990
  529    HA   SER  69           HA       SER  69  15.377   5.851 -10.176
  530    HB2  SER  69           HB2      SER  69  17.039   5.480  -8.100
  531    HB3  SER  69           HB1      SER  69  16.636   7.085  -8.712
  532    HG   SER  69           HG       SER  69  15.608   7.503  -6.920
  533    H    THR  70           HN       THR  70  16.718   3.924 -10.286
  534    HA   THR  70           HA       THR  70  15.251   1.553  -9.982
  535    HB   THR  70           HB       THR  70  17.699   0.564 -10.295
  536    HG1  THR  70           HG1      THR  70  19.174   2.032 -10.744
  537   HG21  THR  70          HG21      THR  70  16.254   2.136 -12.439
  538   HG22  THR  70          HG22      THR  70  15.889   0.480 -11.956
  539   HG23  THR  70          HG23      THR  70  17.438   0.856 -12.714
  540    H    ASP  71           HN       ASP  71  17.504   3.205  -7.910
  541    HA   ASP  71           HA       ASP  71  18.010   1.042  -6.125
  542    HB2  ASP  71           HB2      ASP  71  19.273   3.323  -6.451
  543    HB3  ASP  71           HB1      ASP  71  18.117   3.916  -5.266
  544    H    ALA  72           HN       ALA  72  15.636   3.624  -6.295
  545    HA   ALA  72           HA       ALA  72  14.519   3.385  -3.736
  546    HB1  ALA  72           HB1      ALA  72  13.143   4.268  -6.271
  547    HB2  ALA  72           HB2      ALA  72  14.125   5.298  -5.229
  548    HB3  ALA  72           HB3      ALA  72  12.621   4.608  -4.620
  549    H    ARG  73           HN       ARG  73  13.642   1.775  -6.794
  550    HA   ARG  73           HA       ARG  73  11.418   0.424  -5.633
  551    HB2  ARG  73           HB2      ARG  73  11.253  -0.810  -7.691
  552    HB3  ARG  73           HB1      ARG  73  11.583   0.873  -8.056
  553    HG2  ARG  73           HG2      ARG  73  13.043  -0.045  -9.500
  554    HG3  ARG  73           HG1      ARG  73  14.089  -0.075  -8.080
  555    HD2  ARG  73           HD2      ARG  73  13.969  -2.212  -9.427
  556    HD3  ARG  73           HD1      ARG  73  13.666  -2.365  -7.697
  557    HE   ARG  73           HE       ARG  73  11.358  -2.098  -9.473
  558   HH11  ARG  73          HH11      ARG  73  13.411  -4.128  -7.449
  559   HH12  ARG  73          HH12      ARG  73  12.167  -5.436  -7.329
  560   HH21  ARG  73          HH21      ARG  73   9.773  -3.734  -9.336
  561   HH22  ARG  73          HH22      ARG  73  10.139  -5.218  -8.375
  562    H    GLU  74           HN       GLU  74  14.808  -0.197  -5.713
  563    HA   GLU  74           HA       GLU  74  14.544  -2.998  -5.062
  564    HB2  GLU  74           HB2      GLU  74  16.900  -1.115  -5.144
  565    HB3  GLU  74           HB1      GLU  74  17.046  -2.782  -4.606
  566    HG2  GLU  74           HG2      GLU  74  16.075  -1.903  -7.314
  567    HG3  GLU  74           HG1      GLU  74  17.699  -2.482  -6.947
  568    H    LEU  75           HN       LEU  75  14.535  -0.009  -3.424
  569    HA   LEU  75           HA       LEU  75  15.293  -1.076  -0.854
  570    HB2  LEU  75           HB2      LEU  75  15.787   1.257  -1.497
  571    HB3  LEU  75           HB1      LEU  75  14.067   1.584  -1.591
  572    HG   LEU  75           HG       LEU  75  13.898   1.059   0.851
  573   HD11  LEU  75          HD11      LEU  75  15.983   1.085   2.162
  574   HD12  LEU  75          HD12      LEU  75  16.905   1.024   0.661
  575   HD13  LEU  75          HD13      LEU  75  15.861  -0.324   1.110
  576   HD21  LEU  75          HD21      LEU  75  14.868   3.175   1.594
  577   HD22  LEU  75          HD22      LEU  75  14.025   3.363   0.055
  578   HD23  LEU  75          HD23      LEU  75  15.787   3.284   0.095
  579    H    SER  76           HN       SER  76  12.374  -0.407  -2.644
  580    HA   SER  76           HA       SER  76  10.628  -0.782  -0.382
  581    HB2  SER  76           HB2      SER  76   9.016  -1.000  -2.579
  582    HB3  SER  76           HB1      SER  76   9.469   0.530  -1.829
  583    HG   SER  76           HG       SER  76  10.939   0.884  -3.386
  584    H    LYS  77           HN       LYS  77  12.407  -2.807  -2.306
  585    HA   LYS  77           HA       LYS  77  10.692  -4.975  -2.796
  586    HB2  LYS  77           HB2      LYS  77  12.950  -4.611  -3.806
  587    HB3  LYS  77           HB1      LYS  77  13.666  -5.052  -2.264
  588    HG2  LYS  77           HG2      LYS  77  12.655  -7.274  -2.437
  589    HG3  LYS  77           HG1      LYS  77  11.967  -6.827  -4.001
  590    HD2  LYS  77           HD2      LYS  77  14.249  -6.431  -4.856
  591    HD3  LYS  77           HD1      LYS  77  14.901  -6.967  -3.307
  592    HE2  LYS  77           HE2      LYS  77  14.017  -9.167  -3.617
  593    HE3  LYS  77           HE1      LYS  77  13.125  -8.659  -5.052
  594    HZ1  LYS  77           HZ1      LYS  77  15.256  -8.214  -6.139
  595    HZ2  LYS  77           HZ2      LYS  77  15.110  -9.832  -5.685
  596    HZ3  LYS  77           HZ3      LYS  77  16.078  -8.782  -4.777
  597    H    THR  78           HN       THR  78  12.344  -3.925   0.079
  598    HA   THR  78           HA       THR  78  11.815  -6.446   1.439
  599    HB   THR  78           HB       THR  78  13.997  -5.218   1.750
  600    HG1  THR  78           HG1      THR  78  14.130  -5.933   3.801
  601   HG21  THR  78          HG21      THR  78  13.110  -2.937   1.870
  602   HG22  THR  78          HG22      THR  78  14.045  -3.333   3.312
  603   HG23  THR  78          HG23      THR  78  12.282  -3.336   3.373
  604    H    PHE  79           HN       PHE  79  10.132  -3.677   0.765
  605    HA   PHE  79           HA       PHE  79   8.763  -3.483   3.332
  606    HB2  PHE  79           HB2      PHE  79   8.428  -1.904   0.773
  607    HB3  PHE  79           HB1      PHE  79   7.500  -1.625   2.239
  608    HD1  PHE  79           HD2      PHE  79  10.077  -2.205   4.026
  609    HD2  PHE  79           HD1      PHE  79   9.190   0.389   0.769
  610    HE1  PHE  79           HE2      PHE  79  11.799  -0.636   4.812
  611    HE2  PHE  79           HE1      PHE  79  10.911   1.961   1.551
  612    HZ   PHE  79           HZ       PHE  79  12.217   1.451   3.573
  613    H    ILE  80           HN       ILE  80   8.456  -5.273   0.504
  614    HA   ILE  80           HA       ILE  80   5.642  -5.275   0.193
  615    HB   ILE  80           HB       ILE  80   7.086  -6.043  -1.608
  616   HG12  ILE  80          HG12      ILE  80   5.292  -8.229  -0.538
  617   HG13  ILE  80          HG11      ILE  80   4.776  -6.857  -1.513
  618   HG21  ILE  80          HG21      ILE  80   8.860  -7.082  -0.346
  619   HG22  ILE  80          HG22      ILE  80   8.190  -8.243  -1.493
  620   HG23  ILE  80          HG23      ILE  80   7.763  -8.345   0.216
  621   HD11  ILE  80          HD11      ILE  80   4.943  -8.902  -2.825
  622   HD12  ILE  80          HD12      ILE  80   6.651  -9.035  -2.406
  623   HD13  ILE  80          HD13      ILE  80   6.085  -7.682  -3.383
  624    H    ILE  81           HN       ILE  81   4.094  -6.284   1.249
  625    HA   ILE  81           HA       ILE  81   4.850  -8.331   3.229
  626    HB   ILE  81           HB       ILE  81   2.594  -7.633   4.313
  627   HG12  ILE  81          HG12      ILE  81   3.282  -5.066   2.871
  628   HG13  ILE  81          HG11      ILE  81   1.965  -6.136   2.402
  629   HG21  ILE  81          HG21      ILE  81   5.046  -5.886   4.472
  630   HG22  ILE  81          HG22      ILE  81   4.743  -7.361   5.389
  631   HG23  ILE  81          HG23      ILE  81   3.748  -5.932   5.665
  632   HD11  ILE  81          HD11      ILE  81   0.734  -5.647   4.318
  633   HD12  ILE  81          HD12      ILE  81   1.408  -4.094   3.823
  634   HD13  ILE  81          HD13      ILE  81   2.135  -4.985   5.159
  635    H    GLY  82           HN       GLY  82   3.046  -7.629   0.433
  636    HA2  GLY  82           HA2      GLY  82   2.334 -10.193  -0.162
  637    HA3  GLY  82           HA1      GLY  82   1.002  -9.599   0.815
  638    H    GLU  83           HN       GLU  83  -0.267  -9.999  -1.077
  639    HA   GLU  83           HA       GLU  83  -0.253  -7.706  -2.908
  640    HB2  GLU  83           HB2      GLU  83  -0.420 -10.623  -3.645
  641    HB3  GLU  83           HB1      GLU  83  -1.054  -9.368  -4.696
  642    HG2  GLU  83           HG2      GLU  83   1.278  -8.345  -4.596
  643    HG3  GLU  83           HG1      GLU  83   1.786  -9.886  -3.904
  644    H    LEU  84           HN       LEU  84  -2.442  -8.044  -4.322
  645    HA   LEU  84           HA       LEU  84  -4.561  -8.099  -2.312
  646    HB2  LEU  84           HB2      LEU  84  -4.362  -6.994  -5.098
  647    HB3  LEU  84           HB1      LEU  84  -5.925  -7.234  -4.349
  648    HG   LEU  84           HG       LEU  84  -5.438  -4.976  -3.990
  649   HD11  LEU  84          HD11      LEU  84  -5.330  -4.719  -1.645
  650   HD12  LEU  84          HD12      LEU  84  -4.439  -6.226  -1.448
  651   HD13  LEU  84          HD13      LEU  84  -6.131  -6.262  -1.939
  652   HD21  LEU  84          HD21      LEU  84  -3.109  -5.001  -4.655
  653   HD22  LEU  84          HD22      LEU  84  -2.669  -5.807  -3.149
  654   HD23  LEU  84          HD23      LEU  84  -3.299  -4.161  -3.115
  655    H    HIS  85           HN       HIS  85  -6.589  -9.161  -2.766
  656    HA   HIS  85           HA       HIS  85  -6.290 -11.837  -3.603
  657    HB2  HIS  85           HB2      HIS  85  -8.644 -10.110  -2.899
  658    HB3  HIS  85           HB1      HIS  85  -8.915 -11.695  -3.609
  659    HD1  HIS  85           HD1      HIS  85 -10.087 -12.221  -1.270
  660    HD2  HIS  85           HD2      HIS  85  -5.971 -11.681  -1.161
  661    HE1  HIS  85           HE1      HIS  85  -9.342 -13.162   0.939
  662    HE2  HIS  85           HE2      HIS  85  -6.832 -12.960   0.918
  663    HA   PRO  86           HA       PRO  86  -6.697 -11.651  -7.999
  664    HB2  PRO  86           HB2      PRO  86  -8.262 -13.882  -8.443
  665    HB3  PRO  86           HB1      PRO  86  -6.514 -13.920  -8.188
  666    HG2  PRO  86           HG2      PRO  86  -8.704 -14.459  -6.241
  667    HG3  PRO  86           HG1      PRO  86  -7.144 -15.280  -6.438
  668    HD2  PRO  86           HD2      PRO  86  -7.543 -13.511  -4.466
  669    HD3  PRO  86           HD1      PRO  86  -5.980 -13.640  -5.299
  670    H    ASP  87           HN       ASP  87  -9.590 -12.187  -6.086
  671    HA   ASP  87           HA       ASP  87 -11.491 -11.515  -8.062
  672    HB2  ASP  87           HB2      ASP  87 -12.070 -10.925  -5.197
  673    HB3  ASP  87           HB1      ASP  87 -13.066 -11.741  -6.397
  674    H    ASP  88           HN       ASP  88  -9.711  -9.639  -5.696
  675    HA   ASP  88           HA       ASP  88 -11.081  -7.186  -6.437
  676    HB2  ASP  88           HB2      ASP  88  -8.781  -7.642  -4.519
  677    HB3  ASP  88           HB1      ASP  88  -9.656  -6.130  -4.731
  678    H    ARG  89           HN       ARG  89  -8.814  -8.981  -7.850
  679    HA   ARG  89           HA       ARG  89  -7.094  -6.742  -8.617
  680    HB2  ARG  89           HB2      ARG  89  -6.178  -8.997  -7.797
  681    HB3  ARG  89           HB1      ARG  89  -6.654  -9.617  -9.372
  682    HG2  ARG  89           HG2      ARG  89  -5.218  -7.933 -10.448
  683    HG3  ARG  89           HG1      ARG  89  -4.706  -7.381  -8.852
  684    HD2  ARG  89           HD2      ARG  89  -4.301 -10.146  -9.990
  685    HD3  ARG  89           HD1      ARG  89  -3.066  -8.898  -9.832
  686    HE   ARG  89           HE       ARG  89  -4.426  -9.837  -7.413
  687   HH11  ARG  89          HH11      ARG  89  -1.514  -9.694  -9.405
  688   HH12  ARG  89          HH12      ARG  89  -0.454 -10.314  -8.081
  689   HH21  ARG  89          HH21      ARG  89  -3.083 -10.635  -5.721
  690   HH22  ARG  89          HH22      ARG  89  -1.312 -10.850  -6.066
  691    H    SER  90           HN       SER  90  -8.858  -9.445 -10.191
  692    HA   SER  90           HA       SER  90  -8.938  -7.745 -12.597
  693    HB2  SER  90           HB2      SER  90  -9.119 -10.746 -12.669
  694    HB3  SER  90           HB1      SER  90  -8.699  -9.638 -13.974
  695    HG   SER  90           HG       SER  90  -6.751  -9.192 -12.889
  696    H    LYS  91           HN       LYS  91 -10.873  -9.541 -10.350
  697    HA   LYS  91           HA       LYS  91 -13.140  -9.762 -12.112
  698    HB2  LYS  91           HB2      LYS  91 -12.801 -10.244  -9.159
  699    HB3  LYS  91           HB1      LYS  91 -14.354 -10.387  -9.968
  700    HG2  LYS  91           HG2      LYS  91 -13.361 -12.104 -11.457
  701    HG3  LYS  91           HG1      LYS  91 -11.881 -12.013 -10.501
  702    HD2  LYS  91           HD2      LYS  91 -12.908 -12.909  -8.603
  703    HD3  LYS  91           HD1      LYS  91 -14.528 -12.539  -9.194
  704    HE2  LYS  91           HE2      LYS  91 -12.698 -14.539 -10.497
  705    HE3  LYS  91           HE1      LYS  91 -13.869 -14.966  -9.255
  706    HZ1  LYS  91           HZ1      LYS  91 -14.624 -13.600 -11.776
  707    HZ2  LYS  91           HZ2      LYS  91 -15.648 -14.325 -10.643
  708    HZ3  LYS  91           HZ3      LYS  91 -14.631 -15.281 -11.596
  709    H    LEU  92           HN       LEU  92 -12.553  -7.953  -9.105
  710    HA   LEU  92           HA       LEU  92 -13.233  -5.920  -8.376
  711    HB2  LEU  92           HB2      LEU  92 -13.588  -5.648 -11.289
  712    HB3  LEU  92           HB1      LEU  92 -14.565  -4.561 -10.325
  713    HG   LEU  92           HG       LEU  92 -12.484  -3.498 -11.006
  714   HD11  LEU  92          HD11      LEU  92 -11.777  -2.677  -8.861
  715   HD12  LEU  92          HD12      LEU  92 -12.448  -4.093  -8.055
  716   HD13  LEU  92          HD13      LEU  92 -13.522  -2.934  -8.834
  717   HD21  LEU  92          HD21      LEU  92 -11.061  -5.609  -9.394
  718   HD22  LEU  92          HD22      LEU  92 -10.328  -4.276 -10.284
  719   HD23  LEU  92          HD23      LEU  92 -11.136  -5.577 -11.156
  720    H    SER  93           HN       SER  93 -15.085  -8.396  -9.003
  721    HA   SER  93           HA       SER  93 -17.703  -7.200  -8.760
  722    HB2  SER  93           HB2      SER  93 -17.331 -10.102  -8.258
  723    HB3  SER  93           HB1      SER  93 -18.520  -9.278  -9.264
  724    HG   SER  93           HG       SER  93 -16.628 -10.586 -10.230
  725    H    LYS  94           HN       LYS  94 -17.662  -6.100  -6.797
  726    HA   LYS  94           HA       LYS  94 -17.931  -7.781  -4.441
  727    HB2  LYS  94           HB2      LYS  94 -15.488  -6.752  -4.879
  728    HB3  LYS  94           HB1      LYS  94 -16.228  -5.385  -4.062
  729    HG2  LYS  94           HG2      LYS  94 -15.337  -6.490  -2.280
  730    HG3  LYS  94           HG1      LYS  94 -16.941  -7.223  -2.324
  731    HD2  LYS  94           HD2      LYS  94 -16.146  -9.236  -3.002
  732    HD3  LYS  94           HD1      LYS  94 -14.856  -8.521  -3.971
  733    HE2  LYS  94           HE2      LYS  94 -14.900  -8.789  -0.968
  734    HE3  LYS  94           HE1      LYS  94 -13.929  -9.742  -2.088
  735    HZ1  LYS  94           HZ1      LYS  94 -12.764  -7.840  -0.958
  736    HZ2  LYS  94           HZ2      LYS  94 -13.706  -6.801  -1.889
  737    HZ3  LYS  94           HZ3      LYS  94 -12.638  -7.871  -2.651
  738    HA   PRO  95           HA       PRO  95 -21.095  -4.646  -3.929
  739    HB2  PRO  95           HB2      PRO  95 -21.709  -5.844  -1.353
  740    HB3  PRO  95           HB1      PRO  95 -22.666  -5.868  -2.838
  741    HG2  PRO  95           HG2      PRO  95 -21.482  -8.084  -1.805
  742    HG3  PRO  95           HG1      PRO  95 -21.812  -7.861  -3.533
  743    HD2  PRO  95           HD2      PRO  95 -19.240  -7.541  -2.048
  744    HD3  PRO  95           HD1      PRO  95 -19.543  -8.222  -3.659
  745    H    MET  96           HN       MET  96 -20.405  -2.665  -3.371
  746    HA   MET  96           HA       MET  96 -18.629  -2.285  -1.124
  747    HB2  MET  96           HB2      MET  96 -18.405  -1.024  -3.284
  748    HB3  MET  96           HB1      MET  96 -19.872  -0.153  -2.858
  749    HG2  MET  96           HG2      MET  96 -18.836   0.826  -0.951
  750    HG3  MET  96           HG1      MET  96 -17.422  -0.211  -1.116
  751    HE1  MET  96           HE1      MET  96 -19.377   2.871  -2.439
  752    HE2  MET  96           HE2      MET  96 -19.439   1.833  -3.862
  753    HE3  MET  96           HE3      MET  96 -18.482   3.316  -3.892
  754    H    GLU  97           HN       GLU  97 -21.598  -0.513  -2.000
  755    HA   GLU  97           HA       GLU  97 -23.342   0.266  -0.775
  756    HB2  GLU  97           HB2      GLU  97 -23.632  -2.046  -0.034
  757    HB3  GLU  97           HB1      GLU  97 -22.455  -1.804   1.246
  758    HG2  GLU  97           HG2      GLU  97 -23.918  -0.220   2.338
  759    HG3  GLU  97           HG1      GLU  97 -25.081  -0.352   1.020
  760    H    THR  98           HN       THR  98 -23.090   2.307  -0.167
  761    HA   THR  98           HA       THR  98 -22.025   2.940   2.405
  762    HB   THR  98           HB       THR  98 -19.959   2.733   0.918
  763    HG1  THR  98           HG1      THR  98 -19.698   3.849   2.796
  764   HG21  THR  98          HG21      THR  98 -21.044   5.319  -0.207
  765   HG22  THR  98          HG22      THR  98 -20.863   3.802  -1.087
  766   HG23  THR  98          HG23      THR  98 -19.434   4.657  -0.506
  767    H    LEU  99           HN       LEU  99 -21.956   5.417   2.661
  768    HA   LEU  99           HA       LEU  99 -23.111   7.357   2.769
  769    HB2  LEU  99           HB2      LEU  99 -23.478   6.717  -0.146
  770    HB3  LEU  99           HB1      LEU  99 -24.082   8.196   0.576
  771    HG   LEU  99           HG       LEU  99 -21.178   7.363   0.541
  772   HD11  LEU  99          HD11      LEU  99 -21.933   7.849  -1.701
  773   HD12  LEU  99          HD12      LEU  99 -20.926   9.172  -1.114
  774   HD13  LEU  99          HD13      LEU  99 -22.680   9.349  -1.155
  775   HD21  LEU  99          HD21      LEU  99 -21.465   8.758   2.399
  776   HD22  LEU  99          HD22      LEU  99 -22.631   9.782   1.560
  777   HD23  LEU  99          HD23      LEU  99 -20.925   9.844   1.115
  778    H    ILE 100           HN       ILE 100 -24.469   5.669   4.041
  779    HA   ILE 100           HA       ILE 100 -27.247   5.858   3.073
  780    HB   ILE 100           HB       ILE 100 -27.648   3.825   4.569
  781   HG12  ILE 100          HG12      ILE 100 -24.646   3.594   4.259
  782   HG13  ILE 100          HG11      ILE 100 -25.494   3.921   5.765
  783   HG21  ILE 100          HG21      ILE 100 -25.981   3.525   2.075
  784   HG22  ILE 100          HG22      ILE 100 -27.731   3.709   2.149
  785   HG23  ILE 100          HG23      ILE 100 -26.969   2.260   2.800
  786   HD11  ILE 100          HD11      ILE 100 -24.782   1.595   5.593
  787   HD12  ILE 100          HD12      ILE 100 -25.747   1.411   4.127
  788   HD13  ILE 100          HD13      ILE 100 -26.539   1.735   5.669
  789    H    THR 101           HN       THR 101 -25.153   7.141   5.156
  790    HA   THR 101           HA       THR 101 -27.219   7.665   7.180
  791    HB   THR 101           HB       THR 101 -24.447   7.809   8.147
  792    HG1  THR 101           HG1      THR 101 -25.419   5.193   8.018
  793   HG21  THR 101          HG21      THR 101 -25.416   6.696  10.088
  794   HG22  THR 101          HG22      THR 101 -26.905   6.403   9.196
  795   HG23  THR 101          HG23      THR 101 -26.429   8.052   9.591
  796    H    THR 102           HN       THR 102 -27.190   9.776   8.072
  797    HA   THR 102           HA       THR 102 -25.859  11.729   6.366
  798    HB   THR 102           HB       THR 102 -27.847  12.303   8.561
  799    HG1  THR 102           HG1      THR 102 -28.236  11.573   5.844
  800   HG21  THR 102          HG21      THR 102 -26.589  14.235   7.754
  801   HG22  THR 102          HG22      THR 102 -28.275  14.334   7.244
  802   HG23  THR 102          HG23      THR 102 -27.032  13.841   6.094
  803    H    VAL 103           HN       VAL 103 -23.818  12.031   6.992
  804    HA   VAL 103           HA       VAL 103 -23.220  12.319   9.846
  805    HB   VAL 103           HB       VAL 103 -20.831  12.251   9.130
  806   HG11  VAL 103          HG11      VAL 103 -22.478   9.912   8.173
  807   HG12  VAL 103          HG12      VAL 103 -22.024  10.220   9.848
  808   HG13  VAL 103          HG13      VAL 103 -20.780   9.874   8.647
  809   HG21  VAL 103          HG21      VAL 103 -20.288  11.544   6.855
  810   HG22  VAL 103          HG22      VAL 103 -21.116  13.100   6.852
  811   HG23  VAL 103          HG23      VAL 103 -21.991  11.634   6.416
  812    H    ASP 104           HN       ASP 104 -24.503  14.279   7.884
  813    HA   ASP 104           HA       ASP 104 -22.619  16.501   7.986
  814    HB2  ASP 104           HB2      ASP 104 -25.192  15.978   6.559
  815    HB3  ASP 104           HB1      ASP 104 -24.713  17.647   6.851
  816    HHB  HEM 400           HB       HEM 400  11.746   5.222  -1.945
  817    HHC  HEM 400           HC       HEM 400   5.459   4.854  -2.555
  818    HHD  HEM 400           HD       HEM 400   5.341  10.763  -4.820
  819    HMA  HEM 400          HMA1      HEM 400  14.018   5.880  -2.965
  820   HMAA  HEM 400          HMA2      HEM 400  13.797   6.511  -1.333
  821   HMAB  HEM 400          HMA3      HEM 400  14.804   7.382  -2.484
  822    HAA  HEM 400          HAA1      HEM 400  14.344   9.997  -2.791
  823   HAAA  HEM 400          HAA2      HEM 400  13.600  10.462  -4.312
  824    HBA  HEM 400          HBA1      HEM 400  14.581   7.896  -4.804
  825   HBAA  HEM 400          HBA2      HEM 400  15.837   8.665  -3.833
  826    HMB  HEM 400          HMB1      HEM 400  10.610   2.496  -2.058
  827   HMBA  HEM 400          HMB2      HEM 400   9.666   2.456  -0.565
  828   HMBB  HEM 400          HMB3      HEM 400  11.033   3.560  -0.730
  829    HAB  HEM 400           HAB      HEM 400   6.602   2.411  -2.372
  830    HBB  HEM 400          HBB1      HEM 400   7.521   2.851   0.586
  831   HBBA  HEM 400          HBB2      HEM 400   6.342   1.509  -0.123
  832    HMC  HEM 400          HMC1      HEM 400   2.327   6.682  -3.707
  833   HMCA  HEM 400          HMC2      HEM 400   3.100   6.026  -2.263
  834   HMCB  HEM 400          HMC3      HEM 400   3.381   5.288  -3.842
  835    HAC  HEM 400           HAC      HEM 400   3.228   9.688  -5.317
  836    HBC  HEM 400          HBC1      HEM 400   1.873   8.624  -2.707
  837   HBCA  HEM 400          HBC2      HEM 400   1.145   9.777  -4.059
  838    HMD  HEM 400          HMD1      HEM 400   5.945  12.497  -5.792
  839   HMDA  HEM 400          HMD2      HEM 400   7.340  13.421  -6.361
  840   HMDB  HEM 400          HMD3      HEM 400   6.734  13.635  -4.716
  841    HAD  HEM 400          HAD1      HEM 400   9.435  13.956  -5.310
  842   HADA  HEM 400          HAD2      HEM 400  10.826  13.147  -4.612
  843    HBD  HEM 400          HBD1      HEM 400   9.998  12.300  -7.346
  844   HBDA  HEM 400          HBD2      HEM 400  11.613  12.446  -6.652
  845    HHA  HEM 400           HA       HEM 400  11.666  11.036  -4.427
  Start of MODEL   21
    1    H1   MET   1           HT1      MET   1  21.997 -12.419  18.179
    2    H2   MET   1           HT2      MET   1  20.858 -11.178  18.022
    3    H3   MET   1           HT3      MET   1  21.235 -12.152  16.695
    4    HA   MET   1           HA       MET   1  20.371 -14.090  17.918
    5    HB2  MET   1           HB2      MET   1  19.262 -11.956  19.749
    6    HB3  MET   1           HB1      MET   1  18.951 -13.681  19.853
    7    HG2  MET   1           HG2      MET   1  20.863 -14.088  20.933
    8    HG3  MET   1           HG1      MET   1  21.782 -12.958  19.941
    9    HE1  MET   1           HE1      MET   1  18.491 -11.988  21.956
   10    HE2  MET   1           HE2      MET   1  19.194 -11.708  23.550
   11    HE3  MET   1           HE3      MET   1  19.231 -13.317  22.844
   12    H    ALA   2           HN       ALA   2  18.950 -10.847  17.520
   13    HA   ALA   2           HA       ALA   2  16.685 -12.107  16.128
   14    HB1  ALA   2           HB1      ALA   2  16.083 -10.751  18.088
   15    HB2  ALA   2           HB2      ALA   2  15.416 -10.094  16.594
   16    HB3  ALA   2           HB3      ALA   2  16.830  -9.345  17.333
   17    H    ALA   3           HN       ALA   3  18.066 -12.331  14.248
   18    HA   ALA   3           HA       ALA   3  18.141  -9.839  12.679
   19    HB1  ALA   3           HB1      ALA   3  20.418 -10.463  13.365
   20    HB2  ALA   3           HB2      ALA   3  20.205 -10.569  11.619
   21    HB3  ALA   3           HB3      ALA   3  20.210 -12.036  12.596
   22    H    GLN   4           HN       GLN   4  16.350 -12.322  12.981
   23    HA   GLN   4           HA       GLN   4  16.509 -13.815  10.599
   24    HB2  GLN   4           HB2      GLN   4  14.217 -14.543  11.111
   25    HB3  GLN   4           HB1      GLN   4  15.263 -14.632  12.518
   26    HG2  GLN   4           HG2      GLN   4  13.726 -12.138  12.204
   27    HG3  GLN   4           HG1      GLN   4  12.793 -13.591  12.554
   28   HE21  GLN   4          HE21      GLN   4  12.218 -12.781  14.578
   29   HE22  GLN   4          HE22      GLN   4  13.337 -12.740  15.896
   30    H    SER   5           HN       SER   5  16.022 -13.326   8.589
   31    HA   SER   5           HA       SER   5  14.115 -11.147   8.069
   32    HB2  SER   5           HB2      SER   5  16.614 -11.702   6.456
   33    HB3  SER   5           HB1      SER   5  15.476 -10.377   6.217
   34    HG   SER   5           HG       SER   5  16.731 -10.703   8.709
   35    H    ASP   6           HN       ASP   6  12.430 -12.528   7.661
   36    HA   ASP   6           HA       ASP   6  12.801 -14.570   5.587
   37    HB2  ASP   6           HB2      ASP   6  11.187 -14.367   7.984
   38    HB3  ASP   6           HB1      ASP   6  10.191 -14.746   6.585
   39    H    LYS   7           HN       LYS   7  11.591 -14.598   3.720
   40    HA   LYS   7           HA       LYS   7  10.145 -12.115   3.104
   41    HB2  LYS   7           HB2      LYS   7  11.248 -14.239   1.251
   42    HB3  LYS   7           HB1      LYS   7  10.411 -12.782   0.737
   43    HG2  LYS   7           HG2      LYS   7  13.006 -12.817   2.266
   44    HG3  LYS   7           HG1      LYS   7  12.863 -12.638   0.518
   45    HD2  LYS   7           HD2      LYS   7  11.415 -10.620   0.959
   46    HD3  LYS   7           HD1      LYS   7  11.884 -10.750   2.654
   47    HE2  LYS   7           HE2      LYS   7  14.258 -10.574   1.968
   48    HE3  LYS   7           HE1      LYS   7  13.730 -10.341   0.302
   49    HZ1  LYS   7           HZ1      LYS   7  13.316  -8.542   2.616
   50    HZ2  LYS   7           HZ2      LYS   7  12.430  -8.381   1.180
   51    HZ3  LYS   7           HZ3      LYS   7  14.115  -8.212   1.161
   52    H    ASP   8           HN       ASP   8   7.998 -12.154   2.707
   53    HA   ASP   8           HA       ASP   8   6.684 -14.715   2.200
   54    HB2  ASP   8           HB2      ASP   8   6.753 -13.876   4.748
   55    HB3  ASP   8           HB1      ASP   8   5.366 -12.944   4.196
   56    H    VAL   9           HN       VAL   9   4.241 -14.258   1.886
   57    HA   VAL   9           HA       VAL   9   3.548 -11.673   0.873
   58    HB   VAL   9           HB       VAL   9   4.765 -12.303  -1.078
   59   HG11  VAL   9          HG11      VAL   9   3.294 -14.930  -0.997
   60   HG12  VAL   9          HG12      VAL   9   5.017 -14.667  -0.724
   61   HG13  VAL   9          HG13      VAL   9   4.326 -14.392  -2.324
   62   HG21  VAL   9          HG21      VAL   9   2.599 -11.252  -1.503
   63   HG22  VAL   9          HG22      VAL   9   1.843 -12.842  -1.604
   64   HG23  VAL   9          HG23      VAL   9   3.044 -12.359  -2.800
   65    H    LYS  10           HN       LYS  10   1.762 -11.698   2.117
   66    HA   LYS  10           HA       LYS  10  -0.093 -13.958   1.894
   67    HB2  LYS  10           HB2      LYS  10  -0.070 -11.596   3.785
   68    HB3  LYS  10           HB1      LYS  10  -1.232 -12.914   3.829
   69    HG2  LYS  10           HG2      LYS  10   0.547 -14.489   4.361
   70    HG3  LYS  10           HG1      LYS  10   1.739 -13.192   4.259
   71    HD2  LYS  10           HD2      LYS  10   0.685 -12.050   6.129
   72    HD3  LYS  10           HD1      LYS  10  -0.567 -13.290   6.202
   73    HE2  LYS  10           HE2      LYS  10   1.132 -14.973   6.719
   74    HE3  LYS  10           HE1      LYS  10   2.381 -13.732   6.651
   75    HZ1  LYS  10           HZ1      LYS  10   0.111 -13.795   8.562
   76    HZ2  LYS  10           HZ2      LYS  10   1.312 -12.608   8.502
   77    HZ3  LYS  10           HZ3      LYS  10   1.715 -14.199   8.920
   78    H    TYR  11           HN       TYR  11  -2.071 -13.770   0.963
   79    HA   TYR  11           HA       TYR  11  -2.545 -11.356  -0.576
   80    HB2  TYR  11           HB2      TYR  11  -3.854 -14.073  -0.557
   81    HB3  TYR  11           HB1      TYR  11  -4.491 -12.723  -1.495
   82    HD1  TYR  11           HD1      TYR  11  -3.277 -11.878  -3.435
   83    HD2  TYR  11           HD2      TYR  11  -1.775 -15.160  -1.176
   84    HE1  TYR  11           HE1      TYR  11  -1.698 -12.392  -5.248
   85    HE2  TYR  11           HE2      TYR  11  -0.195 -15.684  -2.985
   86    HH   TYR  11           HH       TYR  11   0.526 -13.562  -5.475
   87    H    TYR  12           HN       TYR  12  -3.457  -9.743   0.452
   88    HA   TYR  12           HA       TYR  12  -5.428 -10.259   2.546
   89    HB2  TYR  12           HB2      TYR  12  -4.012  -7.729   1.696
   90    HB3  TYR  12           HB1      TYR  12  -5.209  -7.804   2.981
   91    HD1  TYR  12           HD2      TYR  12  -4.714  -9.248   5.003
   92    HD2  TYR  12           HD1      TYR  12  -1.761  -8.249   2.117
   93    HE1  TYR  12           HE2      TYR  12  -2.954  -9.810   6.622
   94    HE2  TYR  12           HE1      TYR  12   0.014  -8.810   3.726
   95    HH   TYR  12           HH       TYR  12  -0.613 -10.490   6.632
   96    H    THR  13           HN       THR  13  -7.351  -8.845   2.633
   97    HA   THR  13           HA       THR  13  -8.614  -8.752   0.017
   98    HB   THR  13           HB       THR  13 -10.447  -7.934   1.981
   99    HG1  THR  13           HG1      THR  13 -10.049  -9.143   3.725
  100   HG21  THR  13          HG21      THR  13 -11.450 -10.149   1.579
  101   HG22  THR  13          HG22      THR  13  -9.964 -10.668   0.777
  102   HG23  THR  13          HG23      THR  13 -10.944  -9.378   0.075
  103    H    LEU  14           HN       LEU  14  -9.672  -6.878  -0.773
  104    HA   LEU  14           HA       LEU  14  -8.260  -4.483  -0.519
  105    HB2  LEU  14           HB2      LEU  14  -9.568  -5.033  -2.487
  106    HB3  LEU  14           HB1      LEU  14 -11.050  -4.985  -1.551
  107    HG   LEU  14           HG       LEU  14 -10.469  -2.519  -1.101
  108   HD11  LEU  14          HD11      LEU  14  -8.802  -2.889  -3.579
  109   HD12  LEU  14          HD12      LEU  14  -8.125  -2.769  -1.957
  110   HD13  LEU  14          HD13      LEU  14  -9.032  -1.418  -2.632
  111   HD21  LEU  14          HD21      LEU  14 -11.492  -1.826  -3.219
  112   HD22  LEU  14          HD22      LEU  14 -12.311  -3.222  -2.515
  113   HD23  LEU  14          HD23      LEU  14 -11.209  -3.440  -3.875
  114    H    GLU  15           HN       GLU  15 -11.297  -5.515   0.966
  115    HA   GLU  15           HA       GLU  15 -11.893  -3.022   2.187
  116    HB2  GLU  15           HB2      GLU  15 -13.435  -4.431   3.629
  117    HB3  GLU  15           HB1      GLU  15 -13.704  -4.513   1.893
  118    HG2  GLU  15           HG2      GLU  15 -11.929  -6.543   3.141
  119    HG3  GLU  15           HG1      GLU  15 -13.668  -6.671   3.401
  120    H    GLU  16           HN       GLU  16  -9.668  -5.493   3.009
  121    HA   GLU  16           HA       GLU  16  -9.608  -4.823   5.829
  122    HB2  GLU  16           HB2      GLU  16  -9.269  -7.151   5.088
  123    HB3  GLU  16           HB1      GLU  16  -7.815  -6.655   4.232
  124    HG2  GLU  16           HG2      GLU  16  -7.316  -7.717   6.381
  125    HG3  GLU  16           HG1      GLU  16  -6.744  -6.054   6.307
  126    H    ILE  17           HN       ILE  17  -7.412  -4.565   3.038
  127    HA   ILE  17           HA       ILE  17  -5.352  -3.255   4.445
  128    HB   ILE  17           HB       ILE  17  -4.545  -2.520   2.178
  129   HG12  ILE  17          HG12      ILE  17  -5.865  -4.097   0.408
  130   HG13  ILE  17          HG11      ILE  17  -7.198  -3.602   1.445
  131   HG21  ILE  17          HG21      ILE  17  -4.004  -4.825   1.457
  132   HG22  ILE  17          HG22      ILE  17  -5.162  -5.429   2.640
  133   HG23  ILE  17          HG23      ILE  17  -3.736  -4.543   3.177
  134   HD11  ILE  17          HD11      ILE  17  -6.803  -2.182  -0.570
  135   HD12  ILE  17          HD12      ILE  17  -5.292  -1.660   0.177
  136   HD13  ILE  17          HD13      ILE  17  -6.831  -1.319   0.969
  137    H    LYS  18           HN       LYS  18  -8.293  -2.035   2.992
  138    HA   LYS  18           HA       LYS  18  -7.368   0.721   3.251
  139    HB2  LYS  18           HB2      LYS  18  -9.377   1.381   2.126
  140    HB3  LYS  18           HB1      LYS  18  -8.687   0.021   1.254
  141    HG2  LYS  18           HG2      LYS  18 -10.384  -1.395   1.839
  142    HG3  LYS  18           HG1      LYS  18 -10.764  -0.512   3.319
  143    HD2  LYS  18           HD2      LYS  18 -12.533  -0.195   1.701
  144    HD3  LYS  18           HD1      LYS  18 -11.677   1.326   1.947
  145    HE2  LYS  18           HE2      LYS  18 -10.262   0.390  -0.110
  146    HE3  LYS  18           HE1      LYS  18 -11.786  -0.430  -0.435
  147    HZ1  LYS  18           HZ1      LYS  18 -11.377   2.493  -0.152
  148    HZ2  LYS  18           HZ2      LYS  18 -12.889   1.753  -0.305
  149    HZ3  LYS  18           HZ3      LYS  18 -11.768   1.655  -1.566
  150    H    LYS  19           HN       LYS  19  -8.396  -1.441   5.368
  151    HA   LYS  19           HA       LYS  19 -10.046   0.476   6.876
  152    HB2  LYS  19           HB2      LYS  19 -11.064  -1.760   6.373
  153    HB3  LYS  19           HB1      LYS  19  -9.793  -2.500   7.336
  154    HG2  LYS  19           HG2      LYS  19 -11.158  -2.296   9.070
  155    HG3  LYS  19           HG1      LYS  19 -10.817  -0.565   9.011
  156    HD2  LYS  19           HD2      LYS  19 -13.181  -0.800   9.035
  157    HD3  LYS  19           HD1      LYS  19 -12.731  -0.354   7.386
  158    HE2  LYS  19           HE2      LYS  19 -12.953  -2.625   6.651
  159    HE3  LYS  19           HE1      LYS  19 -13.184  -3.188   8.304
  160    HZ1  LYS  19           HZ1      LYS  19 -15.282  -3.078   7.176
  161    HZ2  LYS  19           HZ2      LYS  19 -15.037  -1.455   6.760
  162    HZ3  LYS  19           HZ3      LYS  19 -15.250  -1.888   8.379
  163    H    HIS  20           HN       HIS  20  -7.226  -1.552   6.886
  164    HA   HIS  20           HA       HIS  20  -6.547  -0.880   9.624
  165    HB2  HIS  20           HB2      HIS  20  -5.829  -2.947   7.772
  166    HB3  HIS  20           HB1      HIS  20  -4.366  -2.140   8.324
  167    HD1  HIS  20           HD1      HIS  20  -6.764  -4.692   9.292
  168    HD2  HIS  20           HD2      HIS  20  -4.154  -2.106  11.260
  169    HE1  HIS  20           HE1      HIS  20  -6.502  -5.620  11.614
  170    HE2  HIS  20           HE2      HIS  20  -4.806  -4.136  12.730
  171    H    ASN  21           HN       ASN  21  -6.488   0.881   6.974
  172    HA   ASN  21           HA       ASN  21  -3.792   1.801   6.819
  173    HB2  ASN  21           HB2      ASN  21  -4.728   3.625   5.414
  174    HB3  ASN  21           HB1      ASN  21  -5.243   2.029   4.891
  175   HD21  ASN  21          HD21      ASN  21  -6.539   4.362   4.140
  176   HD22  ASN  21          HD22      ASN  21  -8.121   4.370   4.842
  177    H    HIS  22           HN       HIS  22  -3.469   2.069   9.124
  178    HA   HIS  22           HA       HIS  22  -4.420   4.695  10.050
  179    HB2  HIS  22           HB2      HIS  22  -3.989   2.157  11.630
  180    HB3  HIS  22           HB1      HIS  22  -4.120   3.738  12.393
  181    HD1  HIS  22           HD1      HIS  22  -6.444   4.700  12.689
  182    HD2  HIS  22           HD2      HIS  22  -6.393   1.291  10.315
  183    HE1  HIS  22           HE1      HIS  22  -8.855   4.098  12.322
  184    HE2  HIS  22           HE2      HIS  22  -8.785   2.199  10.664
  185    H    SER  23           HN       SER  23  -2.877   5.329  12.052
  186    HA   SER  23           HA       SER  23  -0.447   6.092  10.921
  187    HB2  SER  23           HB2      SER  23  -0.640   5.937  13.880
  188    HB3  SER  23           HB1      SER  23  -0.145   7.279  12.846
  189    HG   SER  23           HG       SER  23  -2.156   7.932  12.695
  190    H    LYS  24           HN       LYS  24  -1.226   3.166  12.660
  191    HA   LYS  24           HA       LYS  24   1.642   2.529  12.772
  192    HB2  LYS  24           HB2      LYS  24   1.029   0.826  14.468
  193    HB3  LYS  24           HB1      LYS  24   0.678   2.476  14.960
  194    HG2  LYS  24           HG2      LYS  24  -1.714   1.979  14.111
  195    HG3  LYS  24           HG1      LYS  24  -1.221   0.287  14.209
  196    HD2  LYS  24           HD2      LYS  24  -1.202   2.297  16.459
  197    HD3  LYS  24           HD1      LYS  24  -2.317   0.947  16.266
  198    HE2  LYS  24           HE2      LYS  24  -0.608  -0.641  16.635
  199    HE3  LYS  24           HE1      LYS  24   0.656   0.575  16.466
  200    HZ1  LYS  24           HZ1      LYS  24  -0.007   1.568  18.517
  201    HZ2  LYS  24           HZ2      LYS  24   0.211  -0.089  18.786
  202    HZ3  LYS  24           HZ3      LYS  24  -1.349   0.547  18.652
  203    H    SER  25           HN       SER  25  -0.485   2.202  10.580
  204    HA   SER  25           HA       SER  25   0.545  -0.275   9.588
  205    HB2  SER  25           HB2      SER  25  -2.380  -0.094  10.349
  206    HB3  SER  25           HB1      SER  25  -1.742  -1.303   9.236
  207    HG   SER  25           HG       SER  25  -0.271  -1.213  11.507
  208    H    THR  26           HN       THR  26   0.851   2.234   8.627
  209    HA   THR  26           HA       THR  26  -1.116   2.913   6.656
  210    HB   THR  26           HB       THR  26   1.690   3.921   6.491
  211    HG1  THR  26           HG1      THR  26  -0.113   4.290   8.636
  212   HG21  THR  26          HG21      THR  26   0.551   6.024   5.981
  213   HG22  THR  26          HG22      THR  26  -1.009   5.259   6.285
  214   HG23  THR  26          HG23      THR  26  -0.017   4.730   4.925
  215    H    TRP  27           HN       TRP  27  -1.404   1.201   5.274
  216    HA   TRP  27           HA       TRP  27   0.914   0.166   3.823
  217    HB2  TRP  27           HB2      TRP  27  -1.944  -0.804   4.032
  218    HB3  TRP  27           HB1      TRP  27  -0.741  -1.534   2.973
  219    HD1  TRP  27           HD1      TRP  27   1.530  -1.039   5.467
  220    HE1  TRP  27           HE1      TRP  27   1.610  -2.875   7.265
  221    HE3  TRP  27           HE3      TRP  27  -3.049  -3.147   4.631
  222    HZ2  TRP  27           HZ2      TRP  27  -0.073  -4.957   8.198
  223    HZ3  TRP  27           HZ3      TRP  27  -3.740  -5.058   6.018
  224    HH2  TRP  27           HH2      TRP  27  -2.281  -5.942   7.766
  225    H    LEU  28           HN       LEU  28   1.105   0.292   1.631
  226    HA   LEU  28           HA       LEU  28  -0.890   1.915   0.198
  227    HB2  LEU  28           HB2      LEU  28   1.969   2.419   0.610
  228    HB3  LEU  28           HB1      LEU  28   1.475   2.502  -1.069
  229    HG   LEU  28           HG       LEU  28  -0.041   4.025   1.023
  230   HD11  LEU  28          HD11      LEU  28   2.189   4.727   1.428
  231   HD12  LEU  28          HD12      LEU  28   1.426   5.972   0.438
  232   HD13  LEU  28          HD13      LEU  28   2.543   4.819  -0.296
  233   HD21  LEU  28          HD21      LEU  28  -0.456   5.509  -0.906
  234   HD22  LEU  28          HD22      LEU  28  -1.042   3.867  -1.161
  235   HD23  LEU  28          HD23      LEU  28   0.455   4.396  -1.925
  236    H    ILE  29           HN       ILE  29  -1.292   1.335  -1.908
  237    HA   ILE  29           HA       ILE  29  -0.184  -1.259  -2.713
  238    HB   ILE  29           HB       ILE  29  -2.645   0.195  -3.694
  239   HG12  ILE  29          HG12      ILE  29  -2.417  -2.370  -2.107
  240   HG13  ILE  29          HG11      ILE  29  -2.769  -0.796  -1.401
  241   HG21  ILE  29          HG21      ILE  29  -3.144  -1.816  -4.979
  242   HG22  ILE  29          HG22      ILE  29  -1.625  -2.543  -4.452
  243   HG23  ILE  29          HG23      ILE  29  -1.607  -1.115  -5.485
  244   HD11  ILE  29          HD11      ILE  29  -4.464  -2.132  -3.495
  245   HD12  ILE  29          HD12      ILE  29  -4.838  -0.660  -2.599
  246   HD13  ILE  29          HD13      ILE  29  -4.765  -2.208  -1.760
  247    H    LEU  30           HN       LEU  30   1.293  -1.334  -4.217
  248    HA   LEU  30           HA       LEU  30   1.329   0.703  -6.339
  249    HB2  LEU  30           HB2      LEU  30   3.727  -0.323  -4.819
  250    HB3  LEU  30           HB1      LEU  30   3.807   0.678  -6.256
  251    HG   LEU  30           HG       LEU  30   2.530   1.530  -3.657
  252   HD11  LEU  30          HD11      LEU  30   4.498   2.927  -3.357
  253   HD12  LEU  30          HD12      LEU  30   5.218   2.240  -4.815
  254   HD13  LEU  30          HD13      LEU  30   4.936   1.220  -3.403
  255   HD21  LEU  30          HD21      LEU  30   3.174   3.010  -6.197
  256   HD22  LEU  30          HD22      LEU  30   2.687   3.781  -4.690
  257   HD23  LEU  30          HD23      LEU  30   1.576   2.695  -5.523
  258    H    HIS  31           HN       HIS  31   1.148  -0.238  -8.238
  259    HA   HIS  31           HA       HIS  31   1.221  -1.745  -9.923
  260    HB2  HIS  31           HB2      HIS  31   3.700  -2.447  -8.408
  261    HB3  HIS  31           HB1      HIS  31   3.152  -3.551  -9.664
  262    HD1  HIS  31           HD1      HIS  31   3.625  -2.904 -12.067
  263    HD2  HIS  31           HD2      HIS  31   4.387   0.183  -9.383
  264    HE1  HIS  31           HE1      HIS  31   4.801  -1.126 -13.396
  265    HE2  HIS  31           HE2      HIS  31   5.112   0.791 -11.797
  266    H    HIS  32           HN       HIS  32  -0.456  -2.121  -7.710
  267    HA   HIS  32           HA       HIS  32  -2.037  -3.559  -6.985
  268    HB2  HIS  32           HB2      HIS  32  -0.798  -5.379  -9.046
  269    HB3  HIS  32           HB1      HIS  32  -2.178  -5.854  -8.066
  270    HD1  HIS  32           HD1      HIS  32  -2.135  -5.430 -11.241
  271    HD2  HIS  32           HD2      HIS  32  -3.670  -2.803  -8.406
  272    HE1  HIS  32           HE1      HIS  32  -3.823  -4.027 -12.463
  273    HE2  HIS  32           HE2      HIS  32  -4.788  -2.492 -10.717
  274    H    LYS  33           HN       LYS  33   0.790  -3.466  -5.884
  275    HA   LYS  33           HA       LYS  33   0.589  -5.935  -4.291
  276    HB2  LYS  33           HB2      LYS  33   3.081  -4.393  -5.035
  277    HB3  LYS  33           HB1      LYS  33   3.041  -5.775  -3.949
  278    HG2  LYS  33           HG2      LYS  33   2.023  -7.056  -5.913
  279    HG3  LYS  33           HG1      LYS  33   2.564  -5.701  -6.905
  280    HD2  LYS  33           HD2      LYS  33   4.848  -6.053  -6.204
  281    HD3  LYS  33           HD1      LYS  33   4.347  -7.336  -5.104
  282    HE2  LYS  33           HE2      LYS  33   3.450  -8.554  -7.113
  283    HE3  LYS  33           HE1      LYS  33   4.245  -7.337  -8.111
  284    HZ1  LYS  33           HZ1      LYS  33   6.351  -7.966  -7.046
  285    HZ2  LYS  33           HZ2      LYS  33   5.653  -9.244  -7.899
  286    HZ3  LYS  33           HZ3      LYS  33   5.556  -9.204  -6.215
  287    H    VAL  34           HN       VAL  34   1.058  -5.753  -2.039
  288    HA   VAL  34           HA       VAL  34   0.485  -3.062  -1.017
  289    HB   VAL  34           HB       VAL  34   0.403  -5.644   0.546
  290   HG11  VAL  34          HG11      VAL  34  -0.976  -4.405   2.097
  291   HG12  VAL  34          HG12      VAL  34  -0.923  -2.984   1.053
  292   HG13  VAL  34          HG13      VAL  34   0.550  -3.554   1.843
  293   HG21  VAL  34          HG21      VAL  34  -1.148  -5.892  -1.279
  294   HG22  VAL  34          HG22      VAL  34  -1.821  -4.288  -0.977
  295   HG23  VAL  34          HG23      VAL  34  -2.053  -5.579   0.202
  296    H    TYR  35           HN       TYR  35   2.014  -1.906  -0.064
  297    HA   TYR  35           HA       TYR  35   4.396  -3.301   0.969
  298    HB2  TYR  35           HB2      TYR  35   4.222  -0.578  -0.339
  299    HB3  TYR  35           HB1      TYR  35   5.670  -1.230   0.422
  300    HD1  TYR  35           HD2      TYR  35   6.779  -3.229  -0.573
  301    HD2  TYR  35           HD1      TYR  35   3.585  -1.226  -2.539
  302    HE1  TYR  35           HE2      TYR  35   7.396  -4.331  -2.686
  303    HE2  TYR  35           HE1      TYR  35   4.186  -2.328  -4.652
  304    HH   TYR  35           HH       TYR  35   6.061  -3.383  -5.704
  305    H    ASP  36           HN       ASP  36   5.107  -2.792   2.976
  306    HA   ASP  36           HA       ASP  36   3.372  -1.066   4.585
  307    HB2  ASP  36           HB2      ASP  36   3.888  -3.443   5.291
  308    HB3  ASP  36           HB1      ASP  36   5.545  -2.922   5.567
  309    H    LEU  37           HN       LEU  37   3.987   0.953   4.798
  310    HA   LEU  37           HA       LEU  37   6.808   1.532   5.353
  311    HB2  LEU  37           HB2      LEU  37   6.789   3.475   3.920
  312    HB3  LEU  37           HB1      LEU  37   6.375   2.058   2.978
  313    HG   LEU  37           HG       LEU  37   4.166   3.747   4.074
  314   HD11  LEU  37          HD11      LEU  37   5.759   4.389   1.592
  315   HD12  LEU  37          HD12      LEU  37   5.705   5.352   3.068
  316   HD13  LEU  37          HD13      LEU  37   4.254   5.165   2.085
  317   HD21  LEU  37          HD21      LEU  37   2.952   2.905   2.244
  318   HD22  LEU  37          HD22      LEU  37   3.868   1.533   2.862
  319   HD23  LEU  37          HD23      LEU  37   4.412   2.373   1.410
  320    H    THR  38           HN       THR  38   4.475   1.210   7.023
  321    HA   THR  38           HA       THR  38   3.272   3.612   7.761
  322    HB   THR  38           HB       THR  38   2.599   1.262   8.428
  323    HG1  THR  38           HG1      THR  38   2.526   3.572   9.993
  324   HG21  THR  38          HG21      THR  38   4.597   1.752  10.640
  325   HG22  THR  38          HG22      THR  38   4.730   0.524   9.380
  326   HG23  THR  38          HG23      THR  38   3.431   0.427  10.573
  327    H    LYS  39           HN       LYS  39   6.440   2.370   8.591
  328    HA   LYS  39           HA       LYS  39   6.747   4.590  10.490
  329    HB2  LYS  39           HB2      LYS  39   8.003   1.903  10.279
  330    HB3  LYS  39           HB1      LYS  39   9.001   3.211  10.903
  331    HG2  LYS  39           HG2      LYS  39   6.344   2.324  12.023
  332    HG3  LYS  39           HG1      LYS  39   7.936   1.977  12.704
  333    HD2  LYS  39           HD2      LYS  39   8.285   4.473  12.851
  334    HD3  LYS  39           HD1      LYS  39   6.575   4.657  12.451
  335    HE2  LYS  39           HE2      LYS  39   5.990   3.307  14.424
  336    HE3  LYS  39           HE1      LYS  39   7.703   3.176  14.829
  337    HZ1  LYS  39           HZ1      LYS  39   7.712   5.670  14.913
  338    HZ2  LYS  39           HZ2      LYS  39   6.819   4.918  16.130
  339    HZ3  LYS  39           HZ3      LYS  39   6.024   5.623  14.819
  340    H    PHE  40           HN       PHE  40   7.120   4.141   7.357
  341    HA   PHE  40           HA       PHE  40   9.718   5.513   7.194
  342    HB2  PHE  40           HB2      PHE  40   8.370   3.527   5.506
  343    HB3  PHE  40           HB1      PHE  40   9.045   4.880   4.605
  344    HD1  PHE  40           HD1      PHE  40   9.880   2.191   7.000
  345    HD2  PHE  40           HD2      PHE  40  11.349   5.047   4.221
  346    HE1  PHE  40           HE1      PHE  40  12.109   1.158   7.126
  347    HE2  PHE  40           HE2      PHE  40  13.584   4.026   4.341
  348    HZ   PHE  40           HZ       PHE  40  13.969   2.076   5.796
  349    H    LEU  41           HN       LEU  41   6.604   6.271   7.426
  350    HA   LEU  41           HA       LEU  41   5.958   7.923   5.289
  351    HB2  LEU  41           HB2      LEU  41   5.212   8.323   8.184
  352    HB3  LEU  41           HB1      LEU  41   4.393   9.026   6.804
  353    HG   LEU  41           HG       LEU  41   4.523   6.078   7.441
  354   HD11  LEU  41          HD11      LEU  41   3.137   7.345   9.010
  355   HD12  LEU  41          HD12      LEU  41   2.161   6.303   7.974
  356   HD13  LEU  41          HD13      LEU  41   2.242   8.037   7.656
  357   HD21  LEU  41          HD21      LEU  41   3.078   7.588   5.267
  358   HD22  LEU  41          HD22      LEU  41   2.830   5.885   5.655
  359   HD23  LEU  41          HD23      LEU  41   4.396   6.433   5.056
  360    H    GLU  42           HN       GLU  42   7.736   8.703   8.250
  361    HA   GLU  42           HA       GLU  42   8.081  11.464   7.424
  362    HB2  GLU  42           HB2      GLU  42   9.292  11.720   9.552
  363    HB3  GLU  42           HB1      GLU  42   7.702  11.005   9.784
  364    HG2  GLU  42           HG2      GLU  42   8.547   8.969  10.381
  365    HG3  GLU  42           HG1      GLU  42  10.037   9.197   9.466
  366    H    GLU  43           HN       GLU  43   9.613   8.583   6.755
  367    HA   GLU  43           HA       GLU  43  12.278   9.775   6.551
  368    HB2  GLU  43           HB2      GLU  43  11.421   6.931   5.965
  369    HB3  GLU  43           HB1      GLU  43  13.072   7.526   6.071
  370    HG2  GLU  43           HG2      GLU  43  12.548   8.133   8.472
  371    HG3  GLU  43           HG1      GLU  43  11.074   7.186   8.285
  372    H    HIS  44           HN       HIS  44   9.538   8.944   4.706
  373    HA   HIS  44           HA       HIS  44  10.776   8.696   2.156
  374    HB2  HIS  44           HB2      HIS  44   8.609   7.680   2.619
  375    HB3  HIS  44           HB1      HIS  44   7.906   9.257   2.947
  376    HD1  HIS  44           HD1      HIS  44   7.072  10.598   0.939
  377    HD2  HIS  44           HD2      HIS  44   9.187   7.179  -0.112
  378    HE1  HIS  44           HE1      HIS  44   6.795  10.333  -1.558
  379    HA   PRO  45           HA       PRO  45  11.359  13.069   1.489
  380    HB2  PRO  45           HB2      PRO  45  12.239  12.907  -1.064
  381    HB3  PRO  45           HB1      PRO  45  13.249  12.447   0.318
  382    HG2  PRO  45           HG2      PRO  45  11.705  10.698  -1.541
  383    HG3  PRO  45           HG1      PRO  45  13.334  10.469  -0.875
  384    HD2  PRO  45           HD2      PRO  45  11.135   9.216   0.115
  385    HD3  PRO  45           HD1      PRO  45  12.551   9.626   1.101
  386    H    GLY  46           HN       GLY  46   9.501  14.188   1.334
  387    HA2  GLY  46           HA2      GLY  46   8.310  15.239  -0.740
  388    HA3  GLY  46           HA1      GLY  46   7.641  13.618  -0.863
  389    H    GLY  47           HN       GLY  47   7.660  13.351   2.098
  390    HA2  GLY  47           HA2      GLY  47   6.514  14.666   3.874
  391    HA3  GLY  47           HA1      GLY  47   5.331  15.081   2.642
  392    H    GLU  48           HN       GLU  48   4.591  13.931   5.044
  393    HA   GLU  48           HA       GLU  48   4.087  11.106   4.471
  394    HB2  GLU  48           HB2      GLU  48   3.126  11.116   6.809
  395    HB3  GLU  48           HB1      GLU  48   4.842  11.490   6.707
  396    HG2  GLU  48           HG2      GLU  48   4.557  13.643   7.356
  397    HG3  GLU  48           HG1      GLU  48   2.950  13.759   6.642
  398    H    GLU  49           HN       GLU  49   2.512  14.182   4.414
  399    HA   GLU  49           HA       GLU  49  -0.155  13.363   4.782
  400    HB2  GLU  49           HB2      GLU  49   0.516  15.711   4.872
  401    HB3  GLU  49           HB1      GLU  49   0.921  15.675   3.162
  402    HG2  GLU  49           HG2      GLU  49  -1.257  15.702   2.500
  403    HG3  GLU  49           HG1      GLU  49  -1.829  14.906   3.964
  404    H    VAL  50           HN       VAL  50   1.795  13.706   1.846
  405    HA   VAL  50           HA       VAL  50  -0.215  13.051   0.005
  406    HB   VAL  50           HB       VAL  50   1.628  12.504  -1.562
  407   HG11  VAL  50          HG11      VAL  50   2.720  14.747  -1.486
  408   HG12  VAL  50          HG12      VAL  50   1.933  15.021   0.069
  409   HG13  VAL  50          HG13      VAL  50   0.960  14.797  -1.384
  410   HG21  VAL  50          HG21      VAL  50   3.958  12.808  -0.823
  411   HG22  VAL  50          HG22      VAL  50   3.177  11.443  -0.024
  412   HG23  VAL  50          HG23      VAL  50   3.396  12.964   0.843
  413    H    LEU  51           HN       LEU  51   1.590  11.091   2.171
  414    HA   LEU  51           HA       LEU  51   1.041   8.625   0.746
  415    HB2  LEU  51           HB2      LEU  51   2.327   9.076   3.440
  416    HB3  LEU  51           HB1      LEU  51   2.254   7.548   2.583
  417    HG   LEU  51           HG       LEU  51   3.711  10.001   1.597
  418   HD11  LEU  51          HD11      LEU  51   4.732   7.506   2.938
  419   HD12  LEU  51          HD12      LEU  51   4.791   9.148   3.573
  420   HD13  LEU  51          HD13      LEU  51   5.744   8.717   2.155
  421   HD21  LEU  51          HD21      LEU  51   3.654   7.160   0.585
  422   HD22  LEU  51          HD22      LEU  51   4.707   8.438  -0.016
  423   HD23  LEU  51          HD23      LEU  51   2.962   8.571  -0.214
  424    H    ARG  52           HN       ARG  52  -0.033  10.350   3.638
  425    HA   ARG  52           HA       ARG  52  -1.650   8.213   4.601
  426    HB2  ARG  52           HB2      ARG  52  -2.125   9.546   6.374
  427    HB3  ARG  52           HB1      ARG  52  -0.727  10.426   5.776
  428    HG2  ARG  52           HG2      ARG  52  -2.118  12.060   4.727
  429    HG3  ARG  52           HG1      ARG  52  -3.567  11.109   5.058
  430    HD2  ARG  52           HD2      ARG  52  -3.456  12.884   6.660
  431    HD3  ARG  52           HD1      ARG  52  -3.108  11.370   7.489
  432    HE   ARG  52           HE       ARG  52  -0.822  12.002   7.616
  433   HH11  ARG  52          HH11      ARG  52  -2.975  14.508   6.399
  434   HH12  ARG  52          HH12      ARG  52  -1.768  15.828   6.647
  435   HH21  ARG  52          HH21      ARG  52   0.715  13.641   8.004
  436   HH22  ARG  52          HH22      ARG  52   0.277  15.347   7.581
  437    H    GLU  53           HN       GLU  53  -2.186  10.825   2.339
  438    HA   GLU  53           HA       GLU  53  -5.046  10.499   2.357
  439    HB2  GLU  53           HB2      GLU  53  -5.072  12.116   0.545
  440    HB3  GLU  53           HB1      GLU  53  -4.037  12.677   1.846
  441    HG2  GLU  53           HG2      GLU  53  -2.072  12.111   0.610
  442    HG3  GLU  53           HG1      GLU  53  -3.034  11.335  -0.647
  443    H    GLN  54           HN       GLN  54  -2.569   8.684   1.135
  444    HA   GLN  54           HA       GLN  54  -4.315   7.531  -0.945
  445    HB2  GLN  54           HB2      GLN  54  -1.298   7.736  -0.881
  446    HB3  GLN  54           HB1      GLN  54  -2.181   6.729  -2.019
  447    HG2  GLN  54           HG2      GLN  54  -2.513   9.709  -1.775
  448    HG3  GLN  54           HG1      GLN  54  -1.455   8.914  -2.940
  449   HE21  GLN  54          HE21      GLN  54  -4.731   9.630  -2.059
  450   HE22  GLN  54          HE22      GLN  54  -5.456   9.123  -3.544
  451    H    ALA  55           HN       ALA  55  -3.332   7.117   2.067
  452    HA   ALA  55           HA       ALA  55  -2.240   4.527   2.206
  453    HB1  ALA  55           HB1      ALA  55  -3.921   5.938   4.274
  454    HB2  ALA  55           HB2      ALA  55  -2.184   6.158   4.058
  455    HB3  ALA  55           HB3      ALA  55  -2.818   4.587   4.552
  456    H    GLY  56           HN       GLY  56  -3.125   2.625   1.800
  457    HA2  GLY  56           HA2      GLY  56  -4.740   0.940   1.897
  458    HA3  GLY  56           HA1      GLY  56  -5.921   2.133   2.421
  459    H    GLY  57           HN       GLY  57  -4.127   3.119  -0.287
  460    HA2  GLY  57           HA2      GLY  57  -6.206   2.114  -2.119
  461    HA3  GLY  57           HA1      GLY  57  -5.771   3.815  -2.102
  462    H    ASP  58           HN       ASP  58  -5.568   2.751  -4.452
  463    HA   ASP  58           HA       ASP  58  -2.898   1.674  -4.873
  464    HB2  ASP  58           HB2      ASP  58  -4.619   0.631  -6.176
  465    HB3  ASP  58           HB1      ASP  58  -5.210   2.185  -6.748
  466    H    ALA  59           HN       ALA  59  -1.264   3.033  -4.982
  467    HA   ALA  59           HA       ALA  59  -1.745   5.726  -6.075
  468    HB1  ALA  59           HB1      ALA  59   0.191   6.463  -4.793
  469    HB2  ALA  59           HB2      ALA  59   0.449   4.819  -4.211
  470    HB3  ALA  59           HB3      ALA  59  -1.006   5.703  -3.745
  471    H    THR  60           HN       THR  60  -0.985   3.068  -7.438
  472    HA   THR  60           HA       THR  60   1.632   3.176  -8.385
  473    HB   THR  60           HB       THR  60  -0.789   2.238  -9.938
  474    HG1  THR  60           HG1      THR  60  -0.840   1.003  -8.154
  475   HG21  THR  60          HG21      THR  60   2.125   1.459 -10.140
  476   HG22  THR  60          HG22      THR  60   1.248   2.458 -11.299
  477   HG23  THR  60          HG23      THR  60   0.800   0.766 -11.074
  478    H    GLU  61           HN       GLU  61  -1.247   4.868  -9.466
  479    HA   GLU  61           HA       GLU  61  -0.338   5.924 -11.872
  480    HB2  GLU  61           HB2      GLU  61  -1.982   7.820 -11.333
  481    HB3  GLU  61           HB1      GLU  61  -2.628   6.188 -11.428
  482    HG2  GLU  61           HG2      GLU  61  -2.940   6.038  -9.135
  483    HG3  GLU  61           HG1      GLU  61  -1.792   7.333  -8.797
  484    H    ASN  62           HN       ASN  62   0.068   7.120  -8.572
  485    HA   ASN  62           HA       ASN  62   1.411   9.530  -9.377
  486    HB2  ASN  62           HB2      ASN  62   0.094   9.044  -7.178
  487    HB3  ASN  62           HB1      ASN  62   1.608   8.331  -6.623
  488   HD21  ASN  62          HD21      ASN  62  -0.144  11.180  -7.129
  489   HD22  ASN  62          HD22      ASN  62   1.082  12.302  -6.649
  490    H    PHE  63           HN       PHE  63   2.337   6.363  -8.177
  491    HA   PHE  63           HA       PHE  63   5.065   6.760  -7.769
  492    HB2  PHE  63           HB2      PHE  63   3.838   4.753  -7.049
  493    HB3  PHE  63           HB1      PHE  63   3.621   4.275  -8.726
  494    HD1  PHE  63           HD1      PHE  63   5.497   3.407 -10.025
  495    HD2  PHE  63           HD2      PHE  63   5.928   4.422  -5.912
  496    HE1  PHE  63           HE1      PHE  63   7.589   2.120  -9.931
  497    HE2  PHE  63           HE2      PHE  63   8.024   3.139  -5.813
  498    HZ   PHE  63           HZ       PHE  63   8.856   1.987  -7.823
  499    H    GLU  64           HN       GLU  64   3.334   5.743 -10.701
  500    HA   GLU  64           HA       GLU  64   5.757   5.626 -12.257
  501    HB2  GLU  64           HB2      GLU  64   4.357   4.953 -14.076
  502    HB3  GLU  64           HB1      GLU  64   3.775   4.141 -12.632
  503    HG2  GLU  64           HG2      GLU  64   2.046   5.937 -12.431
  504    HG3  GLU  64           HG1      GLU  64   2.558   6.514 -14.014
  505    H    ASP  65           HN       ASP  65   3.549   8.059 -11.381
  506    HA   ASP  65           HA       ASP  65   3.848   9.724 -13.697
  507    HB2  ASP  65           HB2      ASP  65   1.954   9.746 -11.908
  508    HB3  ASP  65           HB1      ASP  65   3.070  10.733 -10.973
  509    H    VAL  66           HN       VAL  66   5.058   9.830 -10.378
  510    HA   VAL  66           HA       VAL  66   6.728  12.057 -10.645
  511    HB   VAL  66           HB       VAL  66   6.977   9.691  -8.776
  512   HG11  VAL  66          HG11      VAL  66   9.087  10.939  -8.986
  513   HG12  VAL  66          HG12      VAL  66   8.368  11.085  -7.381
  514   HG13  VAL  66          HG13      VAL  66   8.237  12.416  -8.534
  515   HG21  VAL  66          HG21      VAL  66   4.862  10.901  -8.596
  516   HG22  VAL  66          HG22      VAL  66   5.746  12.411  -8.363
  517   HG23  VAL  66          HG23      VAL  66   5.862  11.124  -7.161
  518    H    GLY  67           HN       GLY  67   7.540   8.596 -10.814
  519    HA2  GLY  67           HA2      GLY  67   9.077   7.708 -12.408
  520    HA3  GLY  67           HA1      GLY  67   9.829   9.294 -12.519
  521    H    HIS  68           HN       HIS  68   9.461   6.443 -10.518
  522    HA   HIS  68           HA       HIS  68  11.506   7.311  -8.659
  523    HB2  HIS  68           HB2      HIS  68   9.803   4.833  -8.875
  524    HB3  HIS  68           HB1      HIS  68  11.126   4.950  -7.720
  525    HD1  HIS  68           HD1      HIS  68   7.777   6.570  -8.500
  526    HD2  HIS  68           HD2      HIS  68  10.593   6.331  -5.445
  527    HE1  HIS  68           HE1      HIS  68   6.722   7.651  -6.472
  528    H    SER  69           HN       SER  69  13.530   6.385  -8.420
  529    HA   SER  69           HA       SER  69  14.782   5.512 -10.806
  530    HB2  SER  69           HB2      SER  69  16.729   5.098  -9.144
  531    HB3  SER  69           HB1      SER  69  16.159   6.752  -9.376
  532    HG   SER  69           HG       SER  69  15.176   6.721  -7.432
  533    H    THR  70           HN       THR  70  16.026   3.529 -11.051
  534    HA   THR  70           HA       THR  70  14.472   1.225 -10.625
  535    HB   THR  70           HB       THR  70  16.854   0.151 -11.209
  536    HG1  THR  70           HG1      THR  70  18.117   1.642 -12.336
  537   HG21  THR  70          HG21      THR  70  15.261   1.751 -13.213
  538   HG22  THR  70          HG22      THR  70  14.795   0.161 -12.610
  539   HG23  THR  70          HG23      THR  70  16.279   0.351 -13.545
  540    H    ASP  71           HN       ASP  71  16.928   2.770  -8.756
  541    HA   ASP  71           HA       ASP  71  17.633   0.555  -7.106
  542    HB2  ASP  71           HB2      ASP  71  19.167   2.412  -7.296
  543    HB3  ASP  71           HB1      ASP  71  17.938   3.545  -6.746
  544    H    ALA  72           HN       ALA  72  15.312   3.183  -6.887
  545    HA   ALA  72           HA       ALA  72  14.498   2.764  -4.223
  546    HB1  ALA  72           HB1      ALA  72  12.944   3.989  -6.496
  547    HB2  ALA  72           HB2      ALA  72  14.080   4.839  -5.447
  548    HB3  ALA  72           HB3      ALA  72  12.591   4.168  -4.776
  549    H    ARG  73           HN       ARG  73  13.147   1.576  -7.289
  550    HA   ARG  73           HA       ARG  73  10.936   0.274  -6.115
  551    HB2  ARG  73           HB2      ARG  73  10.726  -0.919  -8.265
  552    HB3  ARG  73           HB1      ARG  73  10.910   0.815  -8.465
  553    HG2  ARG  73           HG2      ARG  73  12.444   0.296  -9.991
  554    HG3  ARG  73           HG1      ARG  73  13.498  -0.067  -8.621
  555    HD2  ARG  73           HD2      ARG  73  13.406  -1.872 -10.331
  556    HD3  ARG  73           HD1      ARG  73  12.911  -2.393  -8.719
  557    HE   ARG  73           HE       ARG  73  10.824  -1.574 -10.591
  558   HH11  ARG  73          HH11      ARG  73  12.571  -4.172  -8.963
  559   HH12  ARG  73          HH12      ARG  73  11.258  -5.380  -9.258
  560   HH21  ARG  73          HH21      ARG  73   9.155  -3.072 -10.983
  561   HH22  ARG  73          HH22      ARG  73   9.353  -4.765 -10.396
  562    H    GLU  74           HN       GLU  74  14.260  -0.642  -6.400
  563    HA   GLU  74           HA       GLU  74  13.790  -3.453  -5.963
  564    HB2  GLU  74           HB2      GLU  74  16.282  -1.753  -5.928
  565    HB3  GLU  74           HB1      GLU  74  16.302  -3.471  -5.548
  566    HG2  GLU  74           HG2      GLU  74  15.392  -2.247  -8.141
  567    HG3  GLU  74           HG1      GLU  74  16.936  -3.049  -7.859
  568    H    LEU  75           HN       LEU  75  14.312  -0.619  -4.050
  569    HA   LEU  75           HA       LEU  75  15.035  -1.936  -1.627
  570    HB2  LEU  75           HB2      LEU  75  15.495   0.468  -2.181
  571    HB3  LEU  75           HB1      LEU  75  13.785   0.790  -1.979
  572    HG   LEU  75           HG       LEU  75  14.015  -0.050   0.399
  573   HD11  LEU  75          HD11      LEU  75  16.299   0.024   1.345
  574   HD12  LEU  75          HD12      LEU  75  16.941   0.166  -0.294
  575   HD13  LEU  75          HD13      LEU  75  16.071  -1.291   0.189
  576   HD21  LEU  75          HD21      LEU  75  15.055   2.062   1.186
  577   HD22  LEU  75          HD22      LEU  75  13.827   2.307  -0.057
  578   HD23  LEU  75          HD23      LEU  75  15.538   2.402  -0.477
  579    H    SER  76           HN       SER  76  12.093  -1.418  -3.307
  580    HA   SER  76           HA       SER  76  10.309  -1.495  -1.099
  581    HB2  SER  76           HB2      SER  76   9.645  -2.341  -3.911
  582    HB3  SER  76           HB1      SER  76   8.580  -1.606  -2.713
  583    HG   SER  76           HG       SER  76  10.503   0.104  -2.986
  584    H    LYS  77           HN       LYS  77  12.237  -3.871  -2.526
  585    HA   LYS  77           HA       LYS  77  10.549  -6.137  -2.253
  586    HB2  LYS  77           HB2      LYS  77  12.845  -5.761  -3.532
  587    HB3  LYS  77           HB1      LYS  77  13.510  -6.401  -2.034
  588    HG2  LYS  77           HG2      LYS  77  12.177  -8.421  -2.281
  589    HG3  LYS  77           HG1      LYS  77  11.457  -7.777  -3.758
  590    HD2  LYS  77           HD2      LYS  77  13.751  -7.669  -4.740
  591    HD3  LYS  77           HD1      LYS  77  14.354  -8.488  -3.297
  592    HE2  LYS  77           HE2      LYS  77  12.870 -10.390  -3.774
  593    HE3  LYS  77           HE1      LYS  77  12.303  -9.574  -5.231
  594    HZ1  LYS  77           HZ1      LYS  77  13.990 -11.163  -5.798
  595    HZ2  LYS  77           HZ2      LYS  77  15.076 -10.494  -4.690
  596    HZ3  LYS  77           HZ3      LYS  77  14.602  -9.610  -6.053
  597    H    THR  78           HN       THR  78  11.848  -4.163   0.087
  598    HA   THR  78           HA       THR  78  11.902  -6.356   2.049
  599    HB   THR  78           HB       THR  78  14.002  -4.911   1.749
  600    HG1  THR  78           HG1      THR  78  13.083  -4.810   4.418
  601   HG21  THR  78          HG21      THR  78  12.888  -2.727   1.656
  602   HG22  THR  78          HG22      THR  78  14.051  -2.798   2.980
  603   HG23  THR  78          HG23      THR  78  12.326  -2.942   3.312
  604    H    PHE  79           HN       PHE  79   9.873  -4.161   0.834
  605    HA   PHE  79           HA       PHE  79   8.590  -3.574   3.426
  606    HB2  PHE  79           HB2      PHE  79   8.313  -2.097   0.796
  607    HB3  PHE  79           HB1      PHE  79   7.445  -1.705   2.276
  608    HD1  PHE  79           HD2      PHE  79   9.509  -1.860   4.321
  609    HD2  PHE  79           HD1      PHE  79   9.712  -0.330   0.353
  610    HE1  PHE  79           HE2      PHE  79  11.341  -0.362   4.993
  611    HE2  PHE  79           HE1      PHE  79  11.545   1.164   1.018
  612    HZ   PHE  79           HZ       PHE  79  12.362   1.154   3.339
  613    H    ILE  80           HN       ILE  80   8.426  -5.455   0.693
  614    HA   ILE  80           HA       ILE  80   5.595  -5.501   0.312
  615    HB   ILE  80           HB       ILE  80   6.972  -6.075  -1.564
  616   HG12  ILE  80          HG12      ILE  80   6.173  -8.528  -1.957
  617   HG13  ILE  80          HG11      ILE  80   5.331  -8.315  -0.424
  618   HG21  ILE  80          HG21      ILE  80   8.948  -6.865  -0.453
  619   HG22  ILE  80          HG22      ILE  80   8.392  -8.097  -1.586
  620   HG23  ILE  80          HG23      ILE  80   8.092  -8.288   0.141
  621   HD11  ILE  80          HD11      ILE  80   3.870  -7.852  -2.295
  622   HD12  ILE  80          HD12      ILE  80   4.986  -6.620  -2.885
  623   HD13  ILE  80          HD13      ILE  80   4.150  -6.388  -1.348
  624    H    ILE  81           HN       ILE  81   4.164  -6.461   1.569
  625    HA   ILE  81           HA       ILE  81   5.044  -8.766   3.178
  626    HB   ILE  81           HB       ILE  81   3.528  -8.197   4.929
  627   HG12  ILE  81          HG12      ILE  81   1.790  -7.189   3.315
  628   HG13  ILE  81          HG11      ILE  81   1.932  -6.473   4.915
  629   HG21  ILE  81          HG21      ILE  81   5.076  -5.754   4.091
  630   HG22  ILE  81          HG22      ILE  81   5.689  -7.117   5.022
  631   HG23  ILE  81          HG23      ILE  81   4.452  -6.067   5.709
  632   HD11  ILE  81          HD11      ILE  81   2.823  -5.376   2.281
  633   HD12  ILE  81          HD12      ILE  81   3.491  -4.777   3.796
  634   HD13  ILE  81          HD13      ILE  81   1.760  -4.654   3.487
  635    H    GLY  82           HN       GLY  82   2.828  -7.599   0.837
  636    HA2  GLY  82           HA2      GLY  82   1.815 -10.167   0.329
  637    HA3  GLY  82           HA1      GLY  82   0.644  -9.285   1.293
  638    H    GLU  83           HN       GLU  83  -0.520  -9.879  -0.769
  639    HA   GLU  83           HA       GLU  83  -0.428  -7.559  -2.560
  640    HB2  GLU  83           HB2      GLU  83  -0.400 -10.457  -3.372
  641    HB3  GLU  83           HB1      GLU  83  -1.008  -9.205  -4.444
  642    HG2  GLU  83           HG2      GLU  83   1.185  -8.086  -4.319
  643    HG3  GLU  83           HG1      GLU  83   1.775  -9.423  -3.331
  644    H    LEU  84           HN       LEU  84  -2.476  -7.907  -4.138
  645    HA   LEU  84           HA       LEU  84  -4.739  -8.123  -2.311
  646    HB2  LEU  84           HB2      LEU  84  -4.446  -6.991  -5.085
  647    HB3  LEU  84           HB1      LEU  84  -6.006  -7.193  -4.317
  648    HG   LEU  84           HG       LEU  84  -5.485  -4.947  -3.966
  649   HD11  LEU  84          HD11      LEU  84  -5.229  -4.687  -1.605
  650   HD12  LEU  84          HD12      LEU  84  -4.472  -6.273  -1.459
  651   HD13  LEU  84          HD13      LEU  84  -6.174  -6.145  -1.905
  652   HD21  LEU  84          HD21      LEU  84  -3.171  -5.011  -4.694
  653   HD22  LEU  84          HD22      LEU  84  -2.701  -5.791  -3.183
  654   HD23  LEU  84          HD23      LEU  84  -3.321  -4.140  -3.167
  655    H    HIS  85           HN       HIS  85  -6.646  -9.275  -2.914
  656    HA   HIS  85           HA       HIS  85  -6.186 -11.909  -3.769
  657    HB2  HIS  85           HB2      HIS  85  -8.635 -10.258  -3.265
  658    HB3  HIS  85           HB1      HIS  85  -8.806 -11.838  -4.017
  659    HD1  HIS  85           HD1      HIS  85 -10.108 -12.664  -1.932
  660    HD2  HIS  85           HD2      HIS  85  -6.182 -11.540  -1.177
  661    HE1  HIS  85           HE1      HIS  85  -9.579 -13.558   0.353
  662    HE2  HIS  85           HE2      HIS  85  -7.275 -12.685   0.870
  663    HA   PRO  86           HA       PRO  86  -6.403 -11.765  -8.191
  664    HB2  PRO  86           HB2      PRO  86  -7.937 -13.986  -8.723
  665    HB3  PRO  86           HB1      PRO  86  -6.213 -14.040  -8.334
  666    HG2  PRO  86           HG2      PRO  86  -8.553 -14.539  -6.557
  667    HG3  PRO  86           HG1      PRO  86  -6.995 -15.387  -6.638
  668    HD2  PRO  86           HD2      PRO  86  -7.522 -13.592  -4.714
  669    HD3  PRO  86           HD1      PRO  86  -5.897 -13.774  -5.409
  670    H    ASP  87           HN       ASP  87  -9.408 -12.305  -6.430
  671    HA   ASP  87           HA       ASP  87 -11.177 -11.573  -8.520
  672    HB2  ASP  87           HB2      ASP  87 -11.668 -11.404  -5.541
  673    HB3  ASP  87           HB1      ASP  87 -12.891 -11.487  -6.803
  674    H    ASP  88           HN       ASP  88  -9.559  -9.808  -5.974
  675    HA   ASP  88           HA       ASP  88 -10.910  -7.321  -6.550
  676    HB2  ASP  88           HB2      ASP  88  -8.516  -7.903  -4.784
  677    HB3  ASP  88           HB1      ASP  88  -9.388  -6.376  -4.846
  678    H    ARG  89           HN       ARG  89  -8.652  -9.023  -8.130
  679    HA   ARG  89           HA       ARG  89  -7.074  -6.690  -8.947
  680    HB2  ARG  89           HB2      ARG  89  -6.003  -8.865  -8.091
  681    HB3  ARG  89           HB1      ARG  89  -6.464  -9.545  -9.644
  682    HG2  ARG  89           HG2      ARG  89  -5.136  -7.865 -10.795
  683    HG3  ARG  89           HG1      ARG  89  -4.693  -7.152  -9.240
  684    HD2  ARG  89           HD2      ARG  89  -4.037  -9.934 -10.201
  685    HD3  ARG  89           HD1      ARG  89  -2.912  -8.587 -10.050
  686    HE   ARG  89           HE       ARG  89  -4.303  -9.532  -7.652
  687   HH11  ARG  89          HH11      ARG  89  -1.336  -9.250  -9.535
  688   HH12  ARG  89          HH12      ARG  89  -0.285  -9.688  -8.134
  689   HH21  ARG  89          HH21      ARG  89  -2.977 -10.096  -5.858
  690   HH22  ARG  89          HH22      ARG  89  -1.180 -10.169  -6.115
  691    H    SER  90           HN       SER  90  -8.355  -9.655 -10.488
  692    HA   SER  90           HA       SER  90  -9.035  -7.982 -12.818
  693    HB2  SER  90           HB2      SER  90  -8.065 -10.849 -12.930
  694    HB3  SER  90           HB1      SER  90  -8.386  -9.782 -14.297
  695    HG   SER  90           HG       SER  90  -6.630  -8.565 -13.771
  696    H    LYS  91           HN       LYS  91 -11.036  -8.078 -11.238
  697    HA   LYS  91           HA       LYS  91 -12.994  -9.668 -12.575
  698    HB2  LYS  91           HB2      LYS  91 -11.830 -11.105 -10.656
  699    HB3  LYS  91           HB1      LYS  91 -12.963 -10.222  -9.643
  700    HG2  LYS  91           HG2      LYS  91 -14.827 -11.064 -10.934
  701    HG3  LYS  91           HG1      LYS  91 -13.723 -11.879 -12.041
  702    HD2  LYS  91           HD2      LYS  91 -13.951 -12.466  -9.087
  703    HD3  LYS  91           HD1      LYS  91 -14.731 -13.400 -10.362
  704    HE2  LYS  91           HE2      LYS  91 -11.755 -12.991 -10.103
  705    HE3  LYS  91           HE1      LYS  91 -12.625 -14.415  -9.546
  706    HZ1  LYS  91           HZ1      LYS  91 -11.551 -14.616 -11.772
  707    HZ2  LYS  91           HZ2      LYS  91 -12.665 -13.490 -12.356
  708    HZ3  LYS  91           HZ3      LYS  91 -13.204 -14.975 -11.751
  709    H    LEU  92           HN       LEU  92 -12.511  -8.138  -9.392
  710    HA   LEU  92           HA       LEU  92 -13.553  -6.438  -8.320
  711    HB2  LEU  92           HB2      LEU  92 -13.854  -5.631 -11.180
  712    HB3  LEU  92           HB1      LEU  92 -14.682  -4.707  -9.944
  713    HG   LEU  92           HG       LEU  92 -12.613  -3.605 -10.452
  714   HD11  LEU  92          HD11      LEU  92 -11.644  -3.415  -8.299
  715   HD12  LEU  92          HD12      LEU  92 -12.154  -5.041  -7.848
  716   HD13  LEU  92          HD13      LEU  92 -13.354  -3.767  -8.057
  717   HD21  LEU  92          HD21      LEU  92 -11.224  -6.203  -9.808
  718   HD22  LEU  92          HD22      LEU  92 -10.439  -4.674 -10.208
  719   HD23  LEU  92          HD23      LEU  92 -11.417  -5.506 -11.417
  720    H    SER  93           HN       SER  93 -15.085  -8.890  -8.923
  721    HA   SER  93           HA       SER  93 -17.807  -7.898  -9.193
  722    HB2  SER  93           HB2      SER  93 -16.947 -10.752  -8.731
  723    HB3  SER  93           HB1      SER  93 -18.461 -10.173  -9.430
  724    HG   SER  93           HG       SER  93 -16.870  -9.173 -11.055
  725    H    LYS  94           HN       LYS  94 -17.259  -6.685  -7.082
  726    HA   LYS  94           HA       LYS  94 -18.291  -8.303  -4.866
  727    HB2  LYS  94           HB2      LYS  94 -15.845  -6.543  -4.808
  728    HB3  LYS  94           HB1      LYS  94 -16.714  -6.984  -3.344
  729    HG2  LYS  94           HG2      LYS  94 -16.196  -9.269  -3.611
  730    HG3  LYS  94           HG1      LYS  94 -15.638  -9.021  -5.267
  731    HD2  LYS  94           HD2      LYS  94 -13.739  -9.300  -3.777
  732    HD3  LYS  94           HD1      LYS  94 -13.777  -7.658  -4.417
  733    HE2  LYS  94           HE2      LYS  94 -14.432  -6.746  -2.386
  734    HE3  LYS  94           HE1      LYS  94 -15.051  -8.280  -1.781
  735    HZ1  LYS  94           HZ1      LYS  94 -12.951  -7.624  -0.723
  736    HZ2  LYS  94           HZ2      LYS  94 -12.176  -7.666  -2.237
  737    HZ3  LYS  94           HZ3      LYS  94 -12.806  -9.087  -1.565
  738    HA   PRO  95           HA       PRO  95 -20.989  -4.777  -4.553
  739    HB2  PRO  95           HB2      PRO  95 -21.699  -5.623  -1.857
  740    HB3  PRO  95           HB1      PRO  95 -22.681  -5.660  -3.326
  741    HG2  PRO  95           HG2      PRO  95 -21.774  -7.902  -2.109
  742    HG3  PRO  95           HG1      PRO  95 -22.092  -7.792  -3.851
  743    HD2  PRO  95           HD2      PRO  95 -19.488  -7.693  -2.396
  744    HD3  PRO  95           HD1      PRO  95 -19.893  -8.450  -3.951
  745    H    MET  96           HN       MET  96 -20.860  -2.739  -3.747
  746    HA   MET  96           HA       MET  96 -18.709  -2.246  -1.823
  747    HB2  MET  96           HB2      MET  96 -18.562  -1.086  -3.986
  748    HB3  MET  96           HB1      MET  96 -20.116  -0.324  -3.687
  749    HG2  MET  96           HG2      MET  96 -19.182   0.837  -1.754
  750    HG3  MET  96           HG1      MET  96 -17.620   0.076  -2.049
  751    HE1  MET  96           HE1      MET  96 -20.401   2.324  -3.520
  752    HE2  MET  96           HE2      MET  96 -20.016   1.422  -4.982
  753    HE3  MET  96           HE3      MET  96 -19.614   3.134  -4.871
  754    H    GLU  97           HN       GLU  97 -21.719  -0.484  -2.547
  755    HA   GLU  97           HA       GLU  97 -23.341   0.412  -1.253
  756    HB2  GLU  97           HB2      GLU  97 -23.680  -1.869  -0.409
  757    HB3  GLU  97           HB1      GLU  97 -22.446  -1.605   0.815
  758    HG2  GLU  97           HG2      GLU  97 -23.829   0.191   1.784
  759    HG3  GLU  97           HG1      GLU  97 -25.077  -0.157   0.589
  760    H    THR  98           HN       THR  98 -22.709   2.469  -0.921
  761    HA   THR  98           HA       THR  98 -21.585   3.099   1.668
  762    HB   THR  98           HB       THR  98 -19.605   2.775   0.127
  763    HG1  THR  98           HG1      THR  98 -18.579   4.328   1.207
  764   HG21  THR  98          HG21      THR  98 -20.699   5.283  -1.153
  765   HG22  THR  98          HG22      THR  98 -20.548   3.700  -1.917
  766   HG23  THR  98          HG23      THR  98 -19.103   4.596  -1.451
  767    H    LEU  99           HN       LEU  99 -21.282   5.647   1.718
  768    HA   LEU  99           HA       LEU  99 -22.303   7.665   1.805
  769    HB2  LEU  99           HB2      LEU  99 -23.210   6.793  -0.926
  770    HB3  LEU  99           HB1      LEU  99 -23.643   8.352  -0.254
  771    HG   LEU  99           HG       LEU  99 -20.853   7.373  -0.866
  772   HD11  LEU  99          HD11      LEU  99 -22.194   8.063  -2.808
  773   HD12  LEU  99          HD12      LEU  99 -20.837   9.144  -2.509
  774   HD13  LEU  99          HD13      LEU  99 -22.466   9.627  -2.044
  775   HD21  LEU  99          HD21      LEU  99 -20.711   8.691   1.119
  776   HD22  LEU  99          HD22      LEU  99 -21.800   9.910   0.455
  777   HD23  LEU  99          HD23      LEU  99 -20.190   9.698  -0.232
  778    H    ILE 100           HN       ILE 100 -23.623   5.393   2.964
  779    HA   ILE 100           HA       ILE 100 -26.459   6.082   2.660
  780    HB   ILE 100           HB       ILE 100 -26.864   4.005   4.016
  781   HG12  ILE 100          HG12      ILE 100 -23.933   3.478   3.482
  782   HG13  ILE 100          HG11      ILE 100 -24.583   3.957   5.046
  783   HG21  ILE 100          HG21      ILE 100 -25.365   3.695   1.419
  784   HG22  ILE 100          HG22      ILE 100 -27.096   3.964   1.613
  785   HG23  ILE 100          HG23      ILE 100 -26.372   2.453   2.162
  786   HD11  ILE 100          HD11      ILE 100 -24.197   1.566   4.953
  787   HD12  ILE 100          HD12      ILE 100 -25.257   1.434   3.548
  788   HD13  ILE 100          HD13      ILE 100 -25.918   1.915   5.111
  789    H    THR 101           HN       THR 101 -24.502   7.736   4.100
  790    HA   THR 101           HA       THR 101 -25.897   7.820   6.665
  791    HB   THR 101           HB       THR 101 -22.936   8.306   6.607
  792    HG1  THR 101           HG1      THR 101 -24.303   5.826   6.720
  793   HG21  THR 101          HG21      THR 101 -23.107   7.778   8.974
  794   HG22  THR 101          HG22      THR 101 -24.813   7.377   8.782
  795   HG23  THR 101          HG23      THR 101 -24.264   9.037   8.551
  796    H    THR 102           HN       THR 102 -26.558   9.811   7.167
  797    HA   THR 102           HA       THR 102 -25.862  12.036   5.465
  798    HB   THR 102           HB       THR 102 -27.430  12.554   7.916
  799    HG1  THR 102           HG1      THR 102 -29.252  11.405   7.041
  800   HG21  THR 102          HG21      THR 102 -27.206  14.154   6.031
  801   HG22  THR 102          HG22      THR 102 -28.882  13.708   6.353
  802   HG23  THR 102          HG23      THR 102 -28.026  12.992   4.988
  803    H    VAL 103           HN       VAL 103 -23.764  12.623   5.856
  804    HA   VAL 103           HA       VAL 103 -23.130  13.518   8.597
  805    HB   VAL 103           HB       VAL 103 -20.703  13.124   7.951
  806   HG11  VAL 103          HG11      VAL 103 -22.554  10.758   8.206
  807   HG12  VAL 103          HG12      VAL 103 -21.825  11.678   9.519
  808   HG13  VAL 103          HG13      VAL 103 -20.810  10.709   8.457
  809   HG21  VAL 103          HG21      VAL 103 -20.280  11.482   6.188
  810   HG22  VAL 103          HG22      VAL 103 -21.026  12.938   5.542
  811   HG23  VAL 103          HG23      VAL 103 -21.991  11.484   5.771
  812    H    ASP 104           HN       ASP 104 -24.322  15.015   6.377
  813    HA   ASP 104           HA       ASP 104 -22.240  16.762   5.401
  814    HB2  ASP 104           HB2      ASP 104 -25.235  17.130   5.186
  815    HB3  ASP 104           HB1      ASP 104 -24.000  17.955   4.244
  816    HHB  HEM 400           HB       HEM 400  11.585   4.996  -2.171
  817    HHC  HEM 400           HC       HEM 400   5.265   4.923  -2.440
  818    HHD  HEM 400           HD       HEM 400   5.286  10.924  -4.458
  819    HMA  HEM 400          HMA1      HEM 400  13.903   5.672  -3.250
  820   HMAA  HEM 400          HMA2      HEM 400  13.658   6.139  -1.567
  821   HMAB  HEM 400          HMA3      HEM 400  14.695   7.108  -2.615
  822    HAA  HEM 400          HAA1      HEM 400  14.343   9.669  -2.825
  823   HAAA  HEM 400          HAA2      HEM 400  13.534  10.341  -4.232
  824    HBA  HEM 400          HBA1      HEM 400  14.766   7.645  -4.535
  825   HBAA  HEM 400          HBA2      HEM 400  15.845   9.036  -4.437
  826    HMB  HEM 400          HMB1      HEM 400  10.399   2.385  -2.340
  827   HMBA  HEM 400          HMB2      HEM 400   9.419   2.202  -0.881
  828   HMBB  HEM 400          HMB3      HEM 400  10.801   3.297  -0.895
  829    HAB  HEM 400           HAB      HEM 400   6.297   2.420  -2.343
  830    HBB  HEM 400          HBB1      HEM 400   7.414   2.822   0.548
  831   HBBA  HEM 400          HBB2      HEM 400   6.135   1.532  -0.081
  832    HMC  HEM 400          HMC1      HEM 400   2.154   6.980  -3.246
  833   HMCA  HEM 400          HMC2      HEM 400   3.051   6.063  -2.031
  834   HMCB  HEM 400          HMC3      HEM 400   3.077   5.572  -3.727
  835    HAC  HEM 400           HAC      HEM 400   3.041   9.908  -4.886
  836    HBC  HEM 400          HBC1      HEM 400   2.017   9.045  -2.059
  837   HBCA  HEM 400          HBC2      HEM 400   1.185  10.215  -3.334
  838    HMD  HEM 400          HMD1      HEM 400   6.040  13.081  -4.440
  839   HMDA  HEM 400          HMD2      HEM 400   6.561  12.919  -6.119
  840   HMDB  HEM 400          HMD3      HEM 400   7.433  13.980  -5.011
  841    HAD  HEM 400          HAD1      HEM 400   9.710  13.935  -4.438
  842   HADA  HEM 400          HAD2      HEM 400  11.044  12.828  -4.711
  843    HBD  HEM 400          HBD1      HEM 400   9.053  13.817  -6.764
  844   HBDA  HEM 400          HBD2      HEM 400  10.254  12.564  -7.074
  845    HHA  HEM 400           HA       HEM 400  11.622  10.944  -4.328
  Start of MODEL   22
    1    H1   MET   1           HT1      MET   1  20.123 -14.406  16.798
    2    H2   MET   1           HT2      MET   1  21.452 -14.429  17.841
    3    H3   MET   1           HT3      MET   1  21.034 -13.000  17.036
    4    HA   MET   1           HA       MET   1  19.416 -14.379  19.093
    5    HB2  MET   1           HB2      MET   1  21.372 -13.254  20.029
    6    HB3  MET   1           HB1      MET   1  20.951 -11.775  19.177
    7    HG2  MET   1           HG2      MET   1  18.959 -11.524  20.495
    8    HG3  MET   1           HG1      MET   1  19.234 -13.081  21.274
    9    HE1  MET   1           HE1      MET   1  18.732 -10.237  22.846
   10    HE2  MET   1           HE2      MET   1  19.842 -10.534  24.182
   11    HE3  MET   1           HE3      MET   1  18.838 -11.844  23.563
   12    H    ALA   2           HN       ALA   2  19.768 -11.269  17.360
   13    HA   ALA   2           HA       ALA   2  16.829 -11.159  17.204
   14    HB1  ALA   2           HB1      ALA   2  17.776  -9.487  18.774
   15    HB2  ALA   2           HB2      ALA   2  16.910  -8.763  17.419
   16    HB3  ALA   2           HB3      ALA   2  18.673  -8.781  17.429
   17    H    ALA   3           HN       ALA   3  17.604 -12.440  15.196
   18    HA   ALA   3           HA       ALA   3  17.609 -10.542  12.976
   19    HB1  ALA   3           HB1      ALA   3  19.947 -11.130  13.261
   20    HB2  ALA   3           HB2      ALA   3  19.316 -11.835  11.775
   21    HB3  ALA   3           HB3      ALA   3  19.546 -12.842  13.203
   22    H    GLN   4           HN       GLN   4  16.351 -11.185  11.296
   23    HA   GLN   4           HA       GLN   4  15.574 -13.956  11.017
   24    HB2  GLN   4           HB2      GLN   4  13.178 -13.522  11.159
   25    HB3  GLN   4           HB1      GLN   4  13.970 -13.132  12.677
   26    HG2  GLN   4           HG2      GLN   4  13.894 -10.759  12.128
   27    HG3  GLN   4           HG1      GLN   4  13.136 -11.132  10.580
   28   HE21  GLN   4          HE21      GLN   4  11.274 -10.002  10.989
   29   HE22  GLN   4          HE22      GLN   4  10.109 -10.492  12.171
   30    H    SER   5           HN       SER   5  14.258 -14.297   9.066
   31    HA   SER   5           HA       SER   5  14.245 -12.139   7.131
   32    HB2  SER   5           HB2      SER   5  15.715 -14.727   6.556
   33    HB3  SER   5           HB1      SER   5  15.543 -13.347   5.469
   34    HG   SER   5           HG       SER   5  16.561 -12.277   7.546
   35    H    ASP   6           HN       ASP   6  12.281 -12.215   6.240
   36    HA   ASP   6           HA       ASP   6  11.177 -14.709   5.289
   37    HB2  ASP   6           HB2      ASP   6  10.387 -14.846   7.563
   38    HB3  ASP   6           HB1      ASP   6   9.842 -13.170   7.527
   39    H    LYS   7           HN       LYS   7   9.697 -14.416   3.676
   40    HA   LYS   7           HA       LYS   7   8.646 -11.743   3.173
   41    HB2  LYS   7           HB2      LYS   7  10.632 -13.155   1.473
   42    HB3  LYS   7           HB1      LYS   7   9.293 -12.382   0.635
   43    HG2  LYS   7           HG2      LYS   7  11.082 -10.972   2.604
   44    HG3  LYS   7           HG1      LYS   7  11.331 -10.967   0.856
   45    HD2  LYS   7           HD2      LYS   7   9.766  -9.407   0.552
   46    HD3  LYS   7           HD1      LYS   7   8.608 -10.266   1.568
   47    HE2  LYS   7           HE2      LYS   7  10.869  -8.643   2.706
   48    HE3  LYS   7           HE1      LYS   7   9.302  -7.934   2.318
   49    HZ1  LYS   7           HZ1      LYS   7   9.686 -10.229   4.172
   50    HZ2  LYS   7           HZ2      LYS   7   8.246  -9.380   3.884
   51    HZ3  LYS   7           HZ3      LYS   7   9.535  -8.619   4.666
   52    H    ASP   8           HN       ASP   8   7.353 -13.915   4.197
   53    HA   ASP   8           HA       ASP   8   6.057 -15.529   2.254
   54    HB2  ASP   8           HB2      ASP   8   6.231 -15.568   4.981
   55    HB3  ASP   8           HB1      ASP   8   4.588 -14.974   4.756
   56    H    VAL   9           HN       VAL   9   4.841 -14.675   0.695
   57    HA   VAL   9           HA       VAL   9   3.522 -12.155   0.984
   58    HB   VAL   9           HB       VAL   9   4.454 -12.773  -1.167
   59   HG11  VAL   9          HG11      VAL   9   2.482 -15.044  -1.092
   60   HG12  VAL   9          HG12      VAL   9   4.241 -15.138  -1.177
   61   HG13  VAL   9          HG13      VAL   9   3.326 -14.520  -2.552
   62   HG21  VAL   9          HG21      VAL   9   2.601 -11.227  -1.195
   63   HG22  VAL   9          HG22      VAL   9   1.446 -12.560  -1.228
   64   HG23  VAL   9          HG23      VAL   9   2.512 -12.282  -2.606
   65    H    LYS  10           HN       LYS  10   1.573 -11.754   1.706
   66    HA   LYS  10           HA       LYS  10  -0.284 -13.996   2.073
   67    HB2  LYS  10           HB2      LYS  10  -0.254 -11.279   3.398
   68    HB3  LYS  10           HB1      LYS  10  -1.403 -12.566   3.734
   69    HG2  LYS  10           HG2      LYS  10   0.564 -13.987   4.408
   70    HG3  LYS  10           HG1      LYS  10   1.540 -12.521   4.323
   71    HD2  LYS  10           HD2      LYS  10   0.972 -12.395   6.517
   72    HD3  LYS  10           HD1      LYS  10  -0.457 -11.608   5.847
   73    HE2  LYS  10           HE2      LYS  10  -0.306 -14.567   6.370
   74    HE3  LYS  10           HE1      LYS  10  -0.882 -13.411   7.567
   75    HZ1  LYS  10           HZ1      LYS  10  -2.079 -13.935   4.899
   76    HZ2  LYS  10           HZ2      LYS  10  -2.586 -12.715   5.949
   77    HZ3  LYS  10           HZ3      LYS  10  -2.741 -14.334   6.403
   78    H    TYR  11           HN       TYR  11  -2.582 -13.567   1.699
   79    HA   TYR  11           HA       TYR  11  -2.943 -11.659  -0.510
   80    HB2  TYR  11           HB2      TYR  11  -4.316 -14.271   0.119
   81    HB3  TYR  11           HB1      TYR  11  -4.980 -13.116  -1.032
   82    HD1  TYR  11           HD1      TYR  11  -3.875 -12.694  -3.162
   83    HD2  TYR  11           HD2      TYR  11  -2.309 -15.545  -0.412
   84    HE1  TYR  11           HE1      TYR  11  -2.437 -13.607  -4.938
   85    HE2  TYR  11           HE2      TYR  11  -0.862 -16.463  -2.177
   86    HH   TYR  11           HH       TYR  11  -0.480 -14.900  -5.254
   87    H    TYR  12           HN       TYR  12  -3.761  -9.842   0.229
   88    HA   TYR  12           HA       TYR  12  -5.622  -9.898   2.485
   89    HB2  TYR  12           HB2      TYR  12  -4.149  -7.611   1.166
   90    HB3  TYR  12           HB1      TYR  12  -5.260  -7.436   2.520
   91    HD1  TYR  12           HD2      TYR  12  -4.692  -8.611   4.693
   92    HD2  TYR  12           HD1      TYR  12  -1.884  -8.132   1.529
   93    HE1  TYR  12           HE2      TYR  12  -2.856  -9.007   6.269
   94    HE2  TYR  12           HE1      TYR  12  -0.038  -8.526   3.108
   95    HH   TYR  12           HH       TYR  12   0.513  -8.687   5.302
   96    H    THR  13           HN       THR  13  -7.423  -8.361   2.425
   97    HA   THR  13           HA       THR  13  -8.843  -8.586  -0.119
   98    HB   THR  13           HB       THR  13 -10.188  -7.423   2.265
   99    HG1  THR  13           HG1      THR  13  -8.902  -9.112   3.182
  100   HG21  THR  13          HG21      THR  13 -12.015  -8.874   1.518
  101   HG22  THR  13          HG22      THR  13 -10.955  -9.596   0.306
  102   HG23  THR  13          HG23      THR  13 -11.406  -7.895   0.184
  103    H    LEU  14           HN       LEU  14  -9.911  -6.762  -1.065
  104    HA   LEU  14           HA       LEU  14  -8.381  -4.437  -1.226
  105    HB2  LEU  14           HB2      LEU  14  -9.907  -5.135  -2.983
  106    HB3  LEU  14           HB1      LEU  14 -11.283  -4.863  -1.932
  107    HG   LEU  14           HG       LEU  14 -10.568  -2.418  -1.857
  108   HD11  LEU  14          HD11      LEU  14  -9.168  -1.611  -3.649
  109   HD12  LEU  14          HD12      LEU  14  -8.951  -3.249  -4.260
  110   HD13  LEU  14          HD13      LEU  14  -8.278  -2.797  -2.696
  111   HD21  LEU  14          HD21      LEU  14 -11.666  -1.912  -3.962
  112   HD22  LEU  14          HD22      LEU  14 -12.482  -3.247  -3.150
  113   HD23  LEU  14          HD23      LEU  14 -11.411  -3.567  -4.515
  114    H    GLU  15           HN       GLU  15 -11.481  -4.944   0.442
  115    HA   GLU  15           HA       GLU  15 -11.442  -2.321   1.614
  116    HB2  GLU  15           HB2      GLU  15 -13.412  -3.194   2.922
  117    HB3  GLU  15           HB1      GLU  15 -13.589  -3.227   1.175
  118    HG2  GLU  15           HG2      GLU  15 -12.576  -5.673   2.526
  119    HG3  GLU  15           HG1      GLU  15 -14.284  -5.267   2.695
  120    H    GLU  16           HN       GLU  16  -9.641  -4.962   2.295
  121    HA   GLU  16           HA       GLU  16  -9.748  -4.749   5.198
  122    HB2  GLU  16           HB2      GLU  16  -9.543  -6.978   4.361
  123    HB3  GLU  16           HB1      GLU  16  -8.205  -6.530   3.315
  124    HG2  GLU  16           HG2      GLU  16  -6.792  -6.161   5.261
  125    HG3  GLU  16           HG1      GLU  16  -8.135  -6.582   6.322
  126    H    ILE  17           HN       ILE  17  -7.468  -4.140   2.544
  127    HA   ILE  17           HA       ILE  17  -5.447  -3.136   4.319
  128    HB   ILE  17           HB       ILE  17  -4.288  -2.401   2.237
  129   HG12  ILE  17          HG12      ILE  17  -6.583  -3.783   0.826
  130   HG13  ILE  17          HG11      ILE  17  -6.372  -2.036   0.900
  131   HG21  ILE  17          HG21      ILE  17  -3.827  -4.693   1.449
  132   HG22  ILE  17          HG22      ILE  17  -5.230  -5.263   2.353
  133   HG23  ILE  17          HG23      ILE  17  -3.851  -4.573   3.208
  134   HD11  ILE  17          HD11      ILE  17  -5.589  -2.949  -1.211
  135   HD12  ILE  17          HD12      ILE  17  -4.454  -3.986  -0.346
  136   HD13  ILE  17          HD13      ILE  17  -4.265  -2.233  -0.292
  137    H    LYS  18           HN       LYS  18  -7.980  -1.701   2.322
  138    HA   LYS  18           HA       LYS  18  -7.014   0.976   2.804
  139    HB2  LYS  18           HB2      LYS  18  -8.878   1.746   1.504
  140    HB3  LYS  18           HB1      LYS  18  -8.174   0.356   0.695
  141    HG2  LYS  18           HG2      LYS  18  -9.994  -0.973   1.092
  142    HG3  LYS  18           HG1      LYS  18 -10.484  -0.073   2.527
  143    HD2  LYS  18           HD2      LYS  18 -12.054   0.328   0.722
  144    HD3  LYS  18           HD1      LYS  18 -11.164   1.811   1.077
  145    HE2  LYS  18           HE2      LYS  18  -9.571   0.952  -0.809
  146    HE3  LYS  18           HE1      LYS  18 -10.970  -0.007  -1.287
  147    HZ1  LYS  18           HZ1      LYS  18 -10.877   2.113  -2.453
  148    HZ2  LYS  18           HZ2      LYS  18 -10.937   2.944  -0.983
  149    HZ3  LYS  18           HZ3      LYS  18 -12.259   2.018  -1.479
  150    H    LYS  19           HN       LYS  19  -7.922  -0.871   5.018
  151    HA   LYS  19           HA       LYS  19  -9.749   1.038   6.318
  152    HB2  LYS  19           HB2      LYS  19 -10.542  -1.431   5.743
  153    HB3  LYS  19           HB1      LYS  19  -9.644  -1.814   7.206
  154    HG2  LYS  19           HG2      LYS  19 -11.726  -1.458   8.078
  155    HG3  LYS  19           HG1      LYS  19 -11.046   0.163   8.212
  156    HD2  LYS  19           HD2      LYS  19 -13.260   0.343   7.310
  157    HD3  LYS  19           HD1      LYS  19 -12.107   0.722   6.029
  158    HE2  LYS  19           HE2      LYS  19 -14.062  -0.794   5.420
  159    HE3  LYS  19           HE1      LYS  19 -12.451  -1.341   4.959
  160    HZ1  LYS  19           HZ1      LYS  19 -13.956  -2.240   7.355
  161    HZ2  LYS  19           HZ2      LYS  19 -12.419  -2.775   6.896
  162    HZ3  LYS  19           HZ3      LYS  19 -13.755  -3.128   5.930
  163    H    HIS  20           HN       HIS  20  -6.687   0.100   6.164
  164    HA   HIS  20           HA       HIS  20  -6.254   0.374   9.067
  165    HB2  HIS  20           HB2      HIS  20  -4.787  -1.303   7.040
  166    HB3  HIS  20           HB1      HIS  20  -4.030  -0.836   8.563
  167    HD1  HIS  20           HD1      HIS  20  -6.379  -3.249   7.091
  168    HD2  HIS  20           HD2      HIS  20  -5.385  -1.880  10.888
  169    HE1  HIS  20           HE1      HIS  20  -7.332  -4.933   8.686
  170    HE2  HIS  20           HE2      HIS  20  -6.979  -3.917  10.961
  171    H    ASN  21           HN       ASN  21  -6.169   2.025   6.341
  172    HA   ASN  21           HA       ASN  21  -3.564   3.208   6.407
  173    HB2  ASN  21           HB2      ASN  21  -4.585   4.829   4.767
  174    HB3  ASN  21           HB1      ASN  21  -4.661   3.141   4.288
  175   HD21  ASN  21          HD21      ASN  21  -6.261   5.243   3.273
  176   HD22  ASN  21          HD22      ASN  21  -7.905   4.895   3.678
  177    H    HIS  22           HN       HIS  22  -3.677   3.666   8.735
  178    HA   HIS  22           HA       HIS  22  -5.057   6.209   9.259
  179    HB2  HIS  22           HB2      HIS  22  -4.403   3.922  11.103
  180    HB3  HIS  22           HB1      HIS  22  -4.784   5.526  11.716
  181    HD1  HIS  22           HD1      HIS  22  -6.459   2.651  11.795
  182    HD2  HIS  22           HD2      HIS  22  -7.355   6.171   9.771
  183    HE1  HIS  22           HE1      HIS  22  -8.934   2.589  11.395
  184    HE2  HIS  22           HE2      HIS  22  -9.430   4.656  10.049
  185    H    SER  23           HN       SER  23  -2.444   4.667  11.110
  186    HA   SER  23           HA       SER  23  -0.574   6.699  10.197
  187    HB2  SER  23           HB2      SER  23  -0.474   6.604  13.097
  188    HB3  SER  23           HB1      SER  23  -0.582   8.002  12.026
  189    HG   SER  23           HG       SER  23  -2.790   7.836  12.034
  190    H    LYS  24           HN       LYS  24  -1.142   3.878  12.278
  191    HA   LYS  24           HA       LYS  24   1.726   3.258  12.075
  192    HB2  LYS  24           HB2      LYS  24   1.182   1.627  13.983
  193    HB3  LYS  24           HB1      LYS  24   1.219   3.343  14.355
  194    HG2  LYS  24           HG2      LYS  24  -1.306   3.303  14.009
  195    HG3  LYS  24           HG1      LYS  24  -1.165   1.544  14.076
  196    HD2  LYS  24           HD2      LYS  24  -0.151   1.701  16.286
  197    HD3  LYS  24           HD1      LYS  24  -0.232   3.463  16.208
  198    HE2  LYS  24           HE2      LYS  24  -2.752   3.129  15.866
  199    HE3  LYS  24           HE1      LYS  24  -2.477   1.485  16.436
  200    HZ1  LYS  24           HZ1      LYS  24  -1.957   2.203  18.533
  201    HZ2  LYS  24           HZ2      LYS  24  -3.108   3.360  18.100
  202    HZ3  LYS  24           HZ3      LYS  24  -1.461   3.736  18.026
  203    H    SER  25           HN       SER  25  -0.596   2.705  10.189
  204    HA   SER  25           HA       SER  25   0.225   0.011   9.513
  205    HB2  SER  25           HB2      SER  25  -2.736   0.580   9.718
  206    HB3  SER  25           HB1      SER  25  -1.934  -0.981   9.531
  207    HG   SER  25           HG       SER  25  -0.980  -0.440  11.689
  208    H    THR  26           HN       THR  26   0.565   2.653   8.440
  209    HA   THR  26           HA       THR  26  -1.226   3.172   6.299
  210    HB   THR  26           HB       THR  26   1.629   4.109   6.439
  211    HG1  THR  26           HG1      THR  26   1.052   4.815   8.373
  212   HG21  THR  26          HG21      THR  26   0.702   6.126   5.417
  213   HG22  THR  26          HG22      THR  26  -0.913   5.418   5.472
  214   HG23  THR  26          HG23      THR  26   0.328   4.706   4.439
  215    H    TRP  27           HN       TRP  27  -1.490   1.625   4.804
  216    HA   TRP  27           HA       TRP  27   0.888   0.471   3.518
  217    HB2  TRP  27           HB2      TRP  27  -1.967  -0.499   3.707
  218    HB3  TRP  27           HB1      TRP  27  -0.785  -1.222   2.622
  219    HD1  TRP  27           HD1      TRP  27   1.531  -0.793   5.082
  220    HE1  TRP  27           HE1      TRP  27   1.613  -2.652   6.850
  221    HE3  TRP  27           HE3      TRP  27  -3.095  -2.828   4.306
  222    HZ2  TRP  27           HZ2      TRP  27  -0.076  -4.713   7.798
  223    HZ3  TRP  27           HZ3      TRP  27  -3.784  -4.745   5.690
  224    HH2  TRP  27           HH2      TRP  27  -2.305  -5.666   7.399
  225    H    LEU  28           HN       LEU  28   1.138   0.625   1.310
  226    HA   LEU  28           HA       LEU  28  -0.849   2.277  -0.115
  227    HB2  LEU  28           HB2      LEU  28   1.872   2.880   0.442
  228    HB3  LEU  28           HB1      LEU  28   1.741   2.584  -1.281
  229    HG   LEU  28           HG       LEU  28  -0.387   4.322  -0.338
  230   HD11  LEU  28          HD11      LEU  28   1.154   5.053   1.333
  231   HD12  LEU  28          HD12      LEU  28   1.103   6.275   0.063
  232   HD13  LEU  28          HD13      LEU  28   2.462   5.155   0.156
  233   HD21  LEU  28          HD21      LEU  28   0.527   5.751  -2.157
  234   HD22  LEU  28          HD22      LEU  28   0.143   4.107  -2.665
  235   HD23  LEU  28          HD23      LEU  28   1.818   4.570  -2.375
  236    H    ILE  29           HN       ILE  29  -1.323   1.701  -2.219
  237    HA   ILE  29           HA       ILE  29  -0.351  -0.945  -3.022
  238    HB   ILE  29           HB       ILE  29  -2.644   0.635  -4.193
  239   HG12  ILE  29          HG12      ILE  29  -2.817  -1.684  -2.267
  240   HG13  ILE  29          HG11      ILE  29  -2.925   0.000  -1.765
  241   HG21  ILE  29          HG21      ILE  29  -3.318  -1.611  -5.059
  242   HG22  ILE  29          HG22      ILE  29  -1.754  -2.221  -4.521
  243   HG23  ILE  29          HG23      ILE  29  -1.832  -0.968  -5.759
  244   HD11  ILE  29          HD11      ILE  29  -4.806  -1.457  -3.601
  245   HD12  ILE  29          HD12      ILE  29  -4.885   0.269  -3.247
  246   HD13  ILE  29          HD13      ILE  29  -5.129  -0.908  -1.958
  247    H    LEU  30           HN       LEU  30   1.153  -1.091  -4.529
  248    HA   LEU  30           HA       LEU  30   1.264   0.923  -6.659
  249    HB2  LEU  30           HB2      LEU  30   3.592  -0.007  -4.981
  250    HB3  LEU  30           HB1      LEU  30   3.774   0.845  -6.502
  251    HG   LEU  30           HG       LEU  30   2.293   2.010  -4.149
  252   HD11  LEU  30          HD11      LEU  30   4.321   3.283  -3.689
  253   HD12  LEU  30          HD12      LEU  30   5.175   2.382  -4.939
  254   HD13  LEU  30          HD13      LEU  30   4.593   1.553  -3.498
  255   HD21  LEU  30          HD21      LEU  30   3.467   3.205  -6.653
  256   HD22  LEU  30          HD22      LEU  30   2.745   4.122  -5.331
  257   HD23  LEU  30          HD23      LEU  30   1.753   3.017  -6.284
  258    H    HIS  31           HN       HIS  31   1.098  -0.099  -8.524
  259    HA   HIS  31           HA       HIS  31   1.270  -1.667 -10.162
  260    HB2  HIS  31           HB2      HIS  31   3.738  -2.315  -8.562
  261    HB3  HIS  31           HB1      HIS  31   3.295  -3.273  -9.966
  262    HD1  HIS  31           HD1      HIS  31   4.338  -2.519 -12.062
  263    HD2  HIS  31           HD2      HIS  31   3.936   0.598  -9.338
  264    HE1  HIS  31           HE1      HIS  31   5.427  -0.527 -13.143
  265    HE2  HIS  31           HE2      HIS  31   5.001   1.395 -11.567
  266    H    HIS  32           HN       HIS  32  -0.447  -2.146  -7.968
  267    HA   HIS  32           HA       HIS  32  -1.906  -3.731  -7.253
  268    HB2  HIS  32           HB2      HIS  32  -0.363  -5.563  -9.097
  269    HB3  HIS  32           HB1      HIS  32  -1.816  -6.036  -8.226
  270    HD1  HIS  32           HD1      HIS  32  -0.679  -4.478 -11.316
  271    HD2  HIS  32           HD2      HIS  32  -4.160  -4.501  -9.051
  272    HE1  HIS  32           HE1      HIS  32  -2.480  -3.621 -12.841
  273    HE2  HIS  32           HE2      HIS  32  -4.508  -3.399 -11.362
  274    H    LYS  33           HN       LYS  33   1.055  -3.412  -6.255
  275    HA   LYS  33           HA       LYS  33   1.043  -5.794  -4.522
  276    HB2  LYS  33           HB2      LYS  33   3.379  -3.945  -5.031
  277    HB3  LYS  33           HB1      LYS  33   3.412  -5.517  -4.248
  278    HG2  LYS  33           HG2      LYS  33   2.534  -5.259  -7.094
  279    HG3  LYS  33           HG1      LYS  33   4.248  -5.301  -6.678
  280    HD2  LYS  33           HD2      LYS  33   3.953  -7.445  -5.585
  281    HD3  LYS  33           HD1      LYS  33   2.218  -7.391  -5.904
  282    HE2  LYS  33           HE2      LYS  33   2.572  -7.548  -8.259
  283    HE3  LYS  33           HE1      LYS  33   4.312  -7.332  -8.067
  284    HZ1  LYS  33           HZ1      LYS  33   3.489  -9.671  -8.443
  285    HZ2  LYS  33           HZ2      LYS  33   2.875  -9.626  -6.865
  286    HZ3  LYS  33           HZ3      LYS  33   4.534  -9.452  -7.133
  287    H    VAL  34           HN       VAL  34   1.117  -5.522  -2.302
  288    HA   VAL  34           HA       VAL  34   0.498  -2.820  -1.360
  289    HB   VAL  34           HB       VAL  34   0.363  -5.369   0.253
  290   HG11  VAL  34          HG11      VAL  34  -1.164  -4.096   1.662
  291   HG12  VAL  34          HG12      VAL  34  -0.983  -2.693   0.606
  292   HG13  VAL  34          HG13      VAL  34   0.399  -3.286   1.530
  293   HG21  VAL  34          HG21      VAL  34  -1.088  -5.729  -1.607
  294   HG22  VAL  34          HG22      VAL  34  -1.759  -4.103  -1.470
  295   HG23  VAL  34          HG23      VAL  34  -2.095  -5.303  -0.221
  296    H    TYR  35           HN       TYR  35   2.055  -1.632  -0.490
  297    HA   TYR  35           HA       TYR  35   4.364  -3.017   0.710
  298    HB2  TYR  35           HB2      TYR  35   4.246  -0.360  -0.731
  299    HB3  TYR  35           HB1      TYR  35   5.660  -0.949   0.136
  300    HD1  TYR  35           HD2      TYR  35   6.434  -3.392  -0.610
  301    HD2  TYR  35           HD1      TYR  35   4.150  -0.722  -3.007
  302    HE1  TYR  35           HE2      TYR  35   7.179  -4.576  -2.631
  303    HE2  TYR  35           HE1      TYR  35   4.893  -1.900  -5.035
  304    HH   TYR  35           HH       TYR  35   6.865  -3.330  -5.709
  305    H    ASP  36           HN       ASP  36   4.961  -2.500   2.739
  306    HA   ASP  36           HA       ASP  36   3.260  -0.641   4.218
  307    HB2  ASP  36           HB2      ASP  36   3.760  -2.986   5.073
  308    HB3  ASP  36           HB1      ASP  36   5.413  -2.448   5.339
  309    H    LEU  37           HN       LEU  37   3.902   1.341   4.607
  310    HA   LEU  37           HA       LEU  37   6.774   1.875   4.849
  311    HB2  LEU  37           HB2      LEU  37   6.662   3.825   3.500
  312    HB3  LEU  37           HB1      LEU  37   5.932   2.527   2.578
  313    HG   LEU  37           HG       LEU  37   4.198   4.389   4.164
  314   HD11  LEU  37          HD11      LEU  37   5.473   4.903   1.493
  315   HD12  LEU  37          HD12      LEU  37   5.489   5.931   2.926
  316   HD13  LEU  37          HD13      LEU  37   3.994   5.705   2.017
  317   HD21  LEU  37          HD21      LEU  37   2.575   3.823   2.439
  318   HD22  LEU  37          HD22      LEU  37   3.213   2.360   3.190
  319   HD23  LEU  37          HD23      LEU  37   3.786   2.859   1.598
  320    H    THR  38           HN       THR  38   4.378   1.556   6.658
  321    HA   THR  38           HA       THR  38   3.708   4.107   7.688
  322    HB   THR  38           HB       THR  38   2.681   1.639   8.051
  323    HG1  THR  38           HG1      THR  38   2.443   3.779   9.931
  324   HG21  THR  38          HG21      THR  38   4.169   2.242  10.613
  325   HG22  THR  38          HG22      THR  38   4.479   0.882   9.532
  326   HG23  THR  38          HG23      THR  38   2.947   0.985  10.402
  327    H    LYS  39           HN       LYS  39   6.451   2.087   8.066
  328    HA   LYS  39           HA       LYS  39   7.358   3.568  10.427
  329    HB2  LYS  39           HB2      LYS  39   8.128   0.963   9.164
  330    HB3  LYS  39           HB1      LYS  39   9.295   1.804  10.174
  331    HG2  LYS  39           HG2      LYS  39   6.534   0.979  11.046
  332    HG3  LYS  39           HG1      LYS  39   8.027   0.108  11.414
  333    HD2  LYS  39           HD2      LYS  39   8.652   2.635  12.207
  334    HD3  LYS  39           HD1      LYS  39   6.932   2.563  12.587
  335    HE2  LYS  39           HE2      LYS  39   7.222   0.741  14.044
  336    HE3  LYS  39           HE1      LYS  39   8.834   0.392  13.422
  337    HZ1  LYS  39           HZ1      LYS  39   9.678   2.350  14.446
  338    HZ2  LYS  39           HZ2      LYS  39   8.805   1.502  15.623
  339    HZ3  LYS  39           HZ3      LYS  39   8.134   2.866  14.894
  340    H    PHE  40           HN       PHE  40   7.380   4.042   7.250
  341    HA   PHE  40           HA       PHE  40  10.051   5.282   7.279
  342    HB2  PHE  40           HB2      PHE  40   8.762   3.688   5.062
  343    HB3  PHE  40           HB1      PHE  40  10.121   4.769   4.782
  344    HD1  PHE  40           HD1      PHE  40   9.074   1.785   6.743
  345    HD2  PHE  40           HD2      PHE  40  12.301   4.017   5.098
  346    HE1  PHE  40           HE1      PHE  40  10.628  -0.022   7.348
  347    HE2  PHE  40           HE2      PHE  40  13.859   2.212   5.702
  348    HZ   PHE  40           HZ       PHE  40  13.025   0.191   6.830
  349    H    LEU  41           HN       LEU  41   7.022   6.060   7.504
  350    HA   LEU  41           HA       LEU  41   6.359   7.681   5.323
  351    HB2  LEU  41           HB2      LEU  41   5.581   7.822   8.228
  352    HB3  LEU  41           HB1      LEU  41   4.922   8.914   7.027
  353    HG   LEU  41           HG       LEU  41   4.671   5.915   6.866
  354   HD11  LEU  41          HD11      LEU  41   3.538   6.734   8.859
  355   HD12  LEU  41          HD12      LEU  41   2.375   6.219   7.634
  356   HD13  LEU  41          HD13      LEU  41   2.685   7.940   7.890
  357   HD21  LEU  41          HD21      LEU  41   3.258   8.147   5.405
  358   HD22  LEU  41          HD22      LEU  41   2.916   6.426   5.238
  359   HD23  LEU  41          HD23      LEU  41   4.475   7.066   4.726
  360    H    GLU  42           HN       GLU  42   8.105   8.448   8.291
  361    HA   GLU  42           HA       GLU  42   8.501  11.203   7.522
  362    HB2  GLU  42           HB2      GLU  42   9.918  11.226   9.629
  363    HB3  GLU  42           HB1      GLU  42   8.213  10.851   9.846
  364    HG2  GLU  42           HG2      GLU  42   8.779   8.455   9.917
  365    HG3  GLU  42           HG1      GLU  42  10.485   8.878   9.791
  366    H    GLU  43           HN       GLU  43   9.966   8.290   6.786
  367    HA   GLU  43           HA       GLU  43  12.634   9.443   6.464
  368    HB2  GLU  43           HB2      GLU  43  11.707   6.612   5.940
  369    HB3  GLU  43           HB1      GLU  43  13.370   7.179   5.967
  370    HG2  GLU  43           HG2      GLU  43  12.626   7.933   8.414
  371    HG3  GLU  43           HG1      GLU  43  11.542   6.559   8.193
  372    H    HIS  44           HN       HIS  44   9.853   9.363   4.795
  373    HA   HIS  44           HA       HIS  44  10.942   8.825   2.159
  374    HB2  HIS  44           HB2      HIS  44   8.632   8.115   2.831
  375    HB3  HIS  44           HB1      HIS  44   8.190   9.815   2.938
  376    HD1  HIS  44           HD1      HIS  44   7.589  11.000   0.766
  377    HD2  HIS  44           HD2      HIS  44   9.108   7.168   0.202
  378    HE1  HIS  44           HE1      HIS  44   7.225  10.445  -1.671
  379    HA   PRO  45           HA       PRO  45  12.063  13.087   1.586
  380    HB2  PRO  45           HB2      PRO  45  12.553  13.006  -1.079
  381    HB3  PRO  45           HB1      PRO  45  13.659  12.317   0.121
  382    HG2  PRO  45           HG2      PRO  45  11.655  10.931  -1.598
  383    HG3  PRO  45           HG1      PRO  45  13.305  10.438  -1.167
  384    HD2  PRO  45           HD2      PRO  45  11.088   9.420   0.036
  385    HD3  PRO  45           HD1      PRO  45  12.658   9.573   0.849
  386    H    GLY  46           HN       GLY  46  11.269  14.995   0.576
  387    HA2  GLY  46           HA2      GLY  46   9.753  16.263  -0.673
  388    HA3  GLY  46           HA1      GLY  46   8.886  14.790  -1.078
  389    H    GLY  47           HN       GLY  47   8.140  13.708   1.223
  390    HA2  GLY  47           HA2      GLY  47   7.365  15.086   3.407
  391    HA3  GLY  47           HA1      GLY  47   6.195  15.612   2.204
  392    H    GLU  48           HN       GLU  48   5.106  14.456   4.268
  393    HA   GLU  48           HA       GLU  48   4.708  11.624   3.585
  394    HB2  GLU  48           HB2      GLU  48   3.857  11.339   5.843
  395    HB3  GLU  48           HB1      GLU  48   5.448  12.085   5.892
  396    HG2  GLU  48           HG2      GLU  48   4.321  14.293   6.148
  397    HG3  GLU  48           HG1      GLU  48   2.789  13.432   6.292
  398    H    GLU  49           HN       GLU  49   3.246  14.692   3.467
  399    HA   GLU  49           HA       GLU  49   0.539  14.102   3.830
  400    HB2  GLU  49           HB2      GLU  49   1.699  16.378   3.525
  401    HB3  GLU  49           HB1      GLU  49   1.525  16.089   1.799
  402    HG2  GLU  49           HG2      GLU  49  -0.305  17.426   2.448
  403    HG3  GLU  49           HG1      GLU  49  -0.938  15.797   2.206
  404    H    VAL  50           HN       VAL  50   2.533  13.961   0.918
  405    HA   VAL  50           HA       VAL  50   0.477  13.274  -0.875
  406    HB   VAL  50           HB       VAL  50   2.312  12.442  -2.352
  407   HG11  VAL  50          HG11      VAL  50   3.464  14.670  -2.527
  408   HG12  VAL  50          HG12      VAL  50   2.574  15.157  -1.083
  409   HG13  VAL  50          HG13      VAL  50   1.701  14.721  -2.552
  410   HG21  VAL  50          HG21      VAL  50   4.647  12.854  -1.626
  411   HG22  VAL  50          HG22      VAL  50   3.851  11.579  -0.703
  412   HG23  VAL  50          HG23      VAL  50   4.050  13.182   0.002
  413    H    LEU  51           HN       LEU  51   2.173  11.410   1.469
  414    HA   LEU  51           HA       LEU  51   1.521   8.868   0.223
  415    HB2  LEU  51           HB2      LEU  51   2.757   9.437   2.915
  416    HB3  LEU  51           HB1      LEU  51   2.668   7.876   2.124
  417    HG   LEU  51           HG       LEU  51   4.183  10.219   0.989
  418   HD11  LEU  51          HD11      LEU  51   6.191   9.002   1.805
  419   HD12  LEU  51          HD12      LEU  51   5.121   7.949   2.729
  420   HD13  LEU  51          HD13      LEU  51   5.189   9.672   3.092
  421   HD21  LEU  51          HD21      LEU  51   4.216   7.268   0.373
  422   HD22  LEU  51          HD22      LEU  51   5.270   8.478  -0.356
  423   HD23  LEU  51          HD23      LEU  51   3.531   8.536  -0.641
  424    H    ARG  52           HN       ARG  52   0.554  10.792   3.030
  425    HA   ARG  52           HA       ARG  52  -1.161   8.842   4.142
  426    HB2  ARG  52           HB2      ARG  52  -1.939  10.540   5.612
  427    HB3  ARG  52           HB1      ARG  52  -0.223  10.807   5.366
  428    HG2  ARG  52           HG2      ARG  52  -0.740  12.923   4.950
  429    HG3  ARG  52           HG1      ARG  52  -1.411  12.366   3.416
  430    HD2  ARG  52           HD2      ARG  52  -2.975  13.777   4.743
  431    HD3  ARG  52           HD1      ARG  52  -3.602  12.173   4.374
  432    HE   ARG  52           HE       ARG  52  -3.424  11.589   6.618
  433   HH11  ARG  52          HH11      ARG  52  -2.209  14.854   6.015
  434   HH12  ARG  52          HH12      ARG  52  -2.193  15.279   7.772
  435   HH21  ARG  52          HH21      ARG  52  -3.399  12.101   8.844
  436   HH22  ARG  52          HH22      ARG  52  -2.845  13.742   9.350
  437    H    GLU  53           HN       GLU  53  -1.633  11.160   1.577
  438    HA   GLU  53           HA       GLU  53  -4.514  10.838   1.655
  439    HB2  GLU  53           HB2      GLU  53  -4.580  12.346  -0.250
  440    HB3  GLU  53           HB1      GLU  53  -3.556  13.010   1.013
  441    HG2  GLU  53           HG2      GLU  53  -1.680  12.870  -0.236
  442    HG3  GLU  53           HG1      GLU  53  -2.212  11.408  -1.065
  443    H    GLN  54           HN       GLN  54  -1.888   9.192   0.325
  444    HA   GLN  54           HA       GLN  54  -3.595   7.917  -1.702
  445    HB2  GLN  54           HB2      GLN  54  -0.585   8.022  -1.432
  446    HB3  GLN  54           HB1      GLN  54  -1.429   7.031  -2.616
  447    HG2  GLN  54           HG2      GLN  54  -1.661  10.028  -2.428
  448    HG3  GLN  54           HG1      GLN  54  -0.576   9.172  -3.519
  449   HE21  GLN  54          HE21      GLN  54  -3.890   9.975  -2.812
  450   HE22  GLN  54          HE22      GLN  54  -4.548   9.462  -4.328
  451    H    ALA  55           HN       ALA  55  -2.781   7.558   1.383
  452    HA   ALA  55           HA       ALA  55  -1.885   4.888   1.599
  453    HB1  ALA  55           HB1      ALA  55  -3.435   6.548   3.585
  454    HB2  ALA  55           HB2      ALA  55  -1.680   6.528   3.409
  455    HB3  ALA  55           HB3      ALA  55  -2.530   5.078   3.944
  456    H    GLY  56           HN       GLY  56  -2.948   3.022   1.427
  457    HA2  GLY  56           HA2      GLY  56  -4.719   1.522   1.498
  458    HA3  GLY  56           HA1      GLY  56  -5.793   2.849   1.920
  459    H    GLY  57           HN       GLY  57  -3.951   3.715  -0.725
  460    HA2  GLY  57           HA2      GLY  57  -5.969   2.681  -2.607
  461    HA3  GLY  57           HA1      GLY  57  -5.527   4.383  -2.600
  462    H    ASP  58           HN       ASP  58  -5.245   3.251  -4.926
  463    HA   ASP  58           HA       ASP  58  -2.548   2.198  -5.233
  464    HB2  ASP  58           HB2      ASP  58  -4.415   1.168  -6.490
  465    HB3  ASP  58           HB1      ASP  58  -4.696   2.704  -7.300
  466    H    ALA  59           HN       ALA  59  -0.883   3.432  -5.684
  467    HA   ALA  59           HA       ALA  59  -1.401   6.112  -6.797
  468    HB1  ALA  59           HB1      ALA  59   0.536   6.927  -5.574
  469    HB2  ALA  59           HB2      ALA  59   0.807   5.316  -4.904
  470    HB3  ALA  59           HB3      ALA  59  -0.648   6.218  -4.473
  471    H    THR  60           HN       THR  60  -0.696   3.414  -8.048
  472    HA   THR  60           HA       THR  60   1.907   3.374  -9.000
  473    HB   THR  60           HB       THR  60  -0.589   2.585 -10.524
  474    HG1  THR  60           HG1      THR  60  -0.553   1.425  -8.640
  475   HG21  THR  60          HG21      THR  60   2.283   1.708 -10.864
  476   HG22  THR  60          HG22      THR  60   1.365   2.707 -11.987
  477   HG23  THR  60          HG23      THR  60   0.899   1.029 -11.717
  478    H    GLU  61           HN       GLU  61  -0.852   5.240 -10.161
  479    HA   GLU  61           HA       GLU  61   0.238   6.230 -12.526
  480    HB2  GLU  61           HB2      GLU  61  -1.366   8.171 -12.165
  481    HB3  GLU  61           HB1      GLU  61  -2.081   6.567 -12.180
  482    HG2  GLU  61           HG2      GLU  61  -2.026   6.611  -9.681
  483    HG3  GLU  61           HG1      GLU  61  -1.517   8.295  -9.780
  484    H    ASN  62           HN       ASN  62   0.642   7.316  -9.204
  485    HA   ASN  62           HA       ASN  62   2.091   9.691  -9.970
  486    HB2  ASN  62           HB2      ASN  62   1.871   8.418  -7.235
  487    HB3  ASN  62           HB1      ASN  62   2.424  10.050  -7.590
  488   HD21  ASN  62          HD21      ASN  62   0.296   9.250  -5.851
  489   HD22  ASN  62          HD22      ASN  62  -1.153   9.974  -6.453
  490    H    PHE  63           HN       PHE  63   2.811   6.439  -8.893
  491    HA   PHE  63           HA       PHE  63   5.505   6.708  -8.242
  492    HB2  PHE  63           HB2      PHE  63   3.996   4.676  -7.947
  493    HB3  PHE  63           HB1      PHE  63   4.334   4.298  -9.630
  494    HD1  PHE  63           HD2      PHE  63   5.729   4.479  -6.246
  495    HD2  PHE  63           HD1      PHE  63   6.495   3.473 -10.314
  496    HE1  PHE  63           HE2      PHE  63   7.776   3.298  -5.565
  497    HE2  PHE  63           HE1      PHE  63   8.546   2.293  -9.636
  498    HZ   PHE  63           HZ       PHE  63   9.188   2.205  -7.258
  499    H    GLU  64           HN       GLU  64   4.035   5.877 -11.368
  500    HA   GLU  64           HA       GLU  64   6.489   5.797 -12.796
  501    HB2  GLU  64           HB2      GLU  64   3.853   6.425 -14.099
  502    HB3  GLU  64           HB1      GLU  64   5.196   5.484 -14.728
  503    HG2  GLU  64           HG2      GLU  64   3.455   4.593 -12.444
  504    HG3  GLU  64           HG1      GLU  64   3.166   4.170 -14.128
  505    H    ASP  65           HN       ASP  65   4.130   8.295 -12.108
  506    HA   ASP  65           HA       ASP  65   5.027  10.249 -13.931
  507    HB2  ASP  65           HB2      ASP  65   2.842  10.383 -12.838
  508    HB3  ASP  65           HB1      ASP  65   3.617  10.587 -11.273
  509    H    VAL  66           HN       VAL  66   5.835   9.665 -10.531
  510    HA   VAL  66           HA       VAL  66   7.593  11.873 -10.268
  511    HB   VAL  66           HB       VAL  66   7.397   9.304  -8.681
  512   HG11  VAL  66          HG11      VAL  66   9.650  10.343  -8.525
  513   HG12  VAL  66          HG12      VAL  66   8.774  10.308  -6.996
  514   HG13  VAL  66          HG13      VAL  66   8.888  11.810  -7.913
  515   HG21  VAL  66          HG21      VAL  66   5.435  10.827  -8.641
  516   HG22  VAL  66          HG22      VAL  66   6.478  12.086  -7.984
  517   HG23  VAL  66          HG23      VAL  66   6.195  10.608  -7.067
  518    H    GLY  67           HN       GLY  67   8.030   8.555 -11.321
  519    HA2  GLY  67           HA2      GLY  67   9.779   7.608 -12.493
  520    HA3  GLY  67           HA1      GLY  67  10.529   9.199 -12.564
  521    H    HIS  68           HN       HIS  68   9.793   6.644 -10.222
  522    HA   HIS  68           HA       HIS  68  11.750   7.416  -8.343
  523    HB2  HIS  68           HB2      HIS  68  10.167   4.903  -8.798
  524    HB3  HIS  68           HB1      HIS  68  11.429   4.958  -7.572
  525    HD1  HIS  68           HD1      HIS  68   8.264   6.913  -8.469
  526    HD2  HIS  68           HD2      HIS  68  10.586   5.842  -5.187
  527    HE1  HIS  68           HE1      HIS  68   7.052   7.774  -6.426
  528    H    SER  69           HN       SER  69  13.813   6.730  -7.977
  529    HA   SER  69           HA       SER  69  15.338   5.938 -10.225
  530    HB2  SER  69           HB2      SER  69  17.213   5.805  -8.553
  531    HB3  SER  69           HB1      SER  69  16.340   7.337  -8.555
  532    HG   SER  69           HG       SER  69  15.285   6.747  -6.700
  533    H    THR  70           HN       THR  70  16.898   4.091 -10.185
  534    HA   THR  70           HA       THR  70  15.552   1.639 -10.066
  535    HB   THR  70           HB       THR  70  18.510   1.595  -9.877
  536    HG1  THR  70           HG1      THR  70  17.357   2.541 -12.284
  537   HG21  THR  70          HG21      THR  70  16.534   0.444 -11.859
  538   HG22  THR  70          HG22      THR  70  17.202  -0.401 -10.463
  539   HG23  THR  70          HG23      THR  70  18.260   0.084 -11.789
  540    H    ASP  71           HN       ASP  71  17.537   3.315  -7.728
  541    HA   ASP  71           HA       ASP  71  17.878   1.078  -5.974
  542    HB2  ASP  71           HB2      ASP  71  19.533   2.745  -5.775
  543    HB3  ASP  71           HB1      ASP  71  18.342   4.041  -5.711
  544    H    ALA  72           HN       ALA  72  15.596   3.708  -6.289
  545    HA   ALA  72           HA       ALA  72  14.315   3.511  -3.813
  546    HB1  ALA  72           HB1      ALA  72  13.010   4.297  -6.402
  547    HB2  ALA  72           HB2      ALA  72  14.069   5.358  -5.478
  548    HB3  ALA  72           HB3      ALA  72  12.555   4.793  -4.772
  549    H    ARG  73           HN       ARG  73  13.461   2.007  -6.931
  550    HA   ARG  73           HA       ARG  73  11.224   0.603  -5.946
  551    HB2  ARG  73           HB2      ARG  73  11.481  -0.810  -8.005
  552    HB3  ARG  73           HB1      ARG  73  11.393   0.919  -8.299
  553    HG2  ARG  73           HG2      ARG  73  13.165   0.595  -9.606
  554    HG3  ARG  73           HG1      ARG  73  14.079   0.537  -8.098
  555    HD2  ARG  73           HD2      ARG  73  14.762  -1.389  -9.202
  556    HD3  ARG  73           HD1      ARG  73  13.509  -1.979  -8.109
  557    HE   ARG  73           HE       ARG  73  12.466  -1.288 -10.680
  558   HH11  ARG  73          HH11      ARG  73  14.162  -3.786  -8.857
  559   HH12  ARG  73          HH12      ARG  73  13.630  -5.105  -9.979
  560   HH21  ARG  73          HH21      ARG  73  11.780  -2.924 -12.113
  561   HH22  ARG  73          HH22      ARG  73  12.295  -4.624 -11.795
  562    H    GLU  74           HN       GLU  74  14.605  -0.056  -5.777
  563    HA   GLU  74           HA       GLU  74  14.356  -2.857  -5.237
  564    HB2  GLU  74           HB2      GLU  74  16.615  -0.884  -4.918
  565    HB3  GLU  74           HB1      GLU  74  16.764  -2.570  -4.436
  566    HG2  GLU  74           HG2      GLU  74  16.156  -1.563  -7.207
  567    HG3  GLU  74           HG1      GLU  74  17.702  -2.197  -6.643
  568    H    LEU  75           HN       LEU  75  14.323   0.077  -3.359
  569    HA   LEU  75           HA       LEU  75  14.780  -1.135  -0.826
  570    HB2  LEU  75           HB2      LEU  75  15.112   1.282  -1.310
  571    HB3  LEU  75           HB1      LEU  75  13.375   1.461  -1.458
  572    HG   LEU  75           HG       LEU  75  13.149   0.748   0.918
  573   HD11  LEU  75          HD11      LEU  75  15.155   0.798   2.335
  574   HD12  LEU  75          HD12      LEU  75  16.157   0.946   0.893
  575   HD13  LEU  75          HD13      LEU  75  15.204  -0.513   1.159
  576   HD21  LEU  75          HD21      LEU  75  13.890   2.866   1.855
  577   HD22  LEU  75          HD22      LEU  75  13.159   3.110   0.267
  578   HD23  LEU  75          HD23      LEU  75  14.913   3.146   0.447
  579    H    SER  76           HN       SER  76  11.964  -0.614  -2.826
  580    HA   SER  76           HA       SER  76  10.011  -1.053  -0.817
  581    HB2  SER  76           HB2      SER  76   9.511  -1.698  -3.701
  582    HB3  SER  76           HB1      SER  76   8.452  -0.902  -2.533
  583    HG   SER  76           HG       SER  76   9.254   0.946  -3.126
  584    H    LYS  77           HN       LYS  77  12.174  -3.151  -2.321
  585    HA   LYS  77           HA       LYS  77  10.684  -5.511  -2.596
  586    HB2  LYS  77           HB2      LYS  77  12.970  -5.069  -3.498
  587    HB3  LYS  77           HB1      LYS  77  13.601  -5.268  -1.872
  588    HG2  LYS  77           HG2      LYS  77  12.863  -7.570  -1.830
  589    HG3  LYS  77           HG1      LYS  77  12.123  -7.379  -3.423
  590    HD2  LYS  77           HD2      LYS  77  14.299  -6.932  -4.403
  591    HD3  LYS  77           HD1      LYS  77  15.059  -7.055  -2.816
  592    HE2  LYS  77           HE2      LYS  77  14.343  -9.399  -2.672
  593    HE3  LYS  77           HE1      LYS  77  13.601  -9.262  -4.265
  594    HZ1  LYS  77           HZ1      LYS  77  15.722 -10.265  -4.523
  595    HZ2  LYS  77           HZ2      LYS  77  16.486  -9.063  -3.618
  596    HZ3  LYS  77           HZ3      LYS  77  15.841  -8.693  -5.131
  597    H    THR  78           HN       THR  78  11.941  -3.937   0.241
  598    HA   THR  78           HA       THR  78  11.459  -6.356   1.827
  599    HB   THR  78           HB       THR  78  13.615  -5.211   2.179
  600    HG1  THR  78           HG1      THR  78  11.741  -5.273   4.314
  601   HG21  THR  78          HG21      THR  78  12.971  -2.908   1.764
  602   HG22  THR  78          HG22      THR  78  13.649  -3.046   3.388
  603   HG23  THR  78          HG23      THR  78  11.902  -2.922   3.169
  604    H    PHE  79           HN       PHE  79   9.617  -3.956   0.719
  605    HA   PHE  79           HA       PHE  79   8.179  -3.505   3.246
  606    HB2  PHE  79           HB2      PHE  79   7.903  -2.061   0.600
  607    HB3  PHE  79           HB1      PHE  79   7.015  -1.680   2.069
  608    HD1  PHE  79           HD2      PHE  79   9.423  -2.089   3.957
  609    HD2  PHE  79           HD1      PHE  79   8.908   0.062   0.322
  610    HE1  PHE  79           HE2      PHE  79  11.218  -0.545   4.619
  611    HE2  PHE  79           HE1      PHE  79  10.704   1.607   0.978
  612    HZ   PHE  79           HZ       PHE  79  11.860   1.307   3.128
  613    H    ILE  80           HN       ILE  80   8.074  -5.478   0.556
  614    HA   ILE  80           HA       ILE  80   5.250  -5.531   0.130
  615    HB   ILE  80           HB       ILE  80   6.588  -6.258  -1.694
  616   HG12  ILE  80          HG12      ILE  80   5.857  -8.746  -1.898
  617   HG13  ILE  80          HG11      ILE  80   5.049  -8.465  -0.360
  618   HG21  ILE  80          HG21      ILE  80   8.604  -6.891  -0.584
  619   HG22  ILE  80          HG22      ILE  80   8.054  -8.253  -1.561
  620   HG23  ILE  80          HG23      ILE  80   7.805  -8.263   0.186
  621   HD11  ILE  80          HD11      ILE  80   3.514  -8.174  -2.203
  622   HD12  ILE  80          HD12      ILE  80   4.572  -6.957  -2.917
  623   HD13  ILE  80          HD13      ILE  80   3.779  -6.641  -1.375
  624    H    ILE  81           HN       ILE  81   3.830  -6.241   1.550
  625    HA   ILE  81           HA       ILE  81   4.597  -8.494   3.285
  626    HB   ILE  81           HB       ILE  81   3.031  -7.750   4.948
  627   HG12  ILE  81          HG12      ILE  81   1.452  -6.719   3.165
  628   HG13  ILE  81          HG11      ILE  81   1.529  -5.976   4.758
  629   HG21  ILE  81          HG21      ILE  81   4.770  -5.475   4.022
  630   HG22  ILE  81          HG22      ILE  81   5.256  -6.818   5.055
  631   HG23  ILE  81          HG23      ILE  81   4.073  -5.647   5.633
  632   HD11  ILE  81          HD11      ILE  81   3.252  -4.395   3.705
  633   HD12  ILE  81          HD12      ILE  81   1.552  -4.179   3.295
  634   HD13  ILE  81          HD13      ILE  81   2.634  -4.989   2.164
  635    H    GLY  82           HN       GLY  82   2.735  -7.726   0.639
  636    HA2  GLY  82           HA2      GLY  82   1.587 -10.167   0.299
  637    HA3  GLY  82           HA1      GLY  82   0.422  -9.302   1.283
  638    H    GLU  83           HN       GLU  83  -0.643 -10.060  -0.870
  639    HA   GLU  83           HA       GLU  83  -0.720  -7.703  -2.625
  640    HB2  GLU  83           HB2      GLU  83  -0.565 -10.606  -3.414
  641    HB3  GLU  83           HB1      GLU  83  -1.266  -9.402  -4.485
  642    HG2  GLU  83           HG2      GLU  83   0.854  -8.161  -4.438
  643    HG3  GLU  83           HG1      GLU  83   1.551  -9.429  -3.430
  644    H    LEU  84           HN       LEU  84  -2.778  -8.071  -4.147
  645    HA   LEU  84           HA       LEU  84  -5.010  -8.428  -2.306
  646    HB2  LEU  84           HB2      LEU  84  -4.708  -7.157  -5.010
  647    HB3  LEU  84           HB1      LEU  84  -6.296  -7.572  -4.405
  648    HG   LEU  84           HG       LEU  84  -6.100  -5.330  -3.841
  649   HD11  LEU  84          HD11      LEU  84  -6.063  -5.223  -1.487
  650   HD12  LEU  84          HD12      LEU  84  -4.970  -6.602  -1.364
  651   HD13  LEU  84          HD13      LEU  84  -6.637  -6.842  -1.894
  652   HD21  LEU  84          HD21      LEU  84  -3.798  -4.995  -4.457
  653   HD22  LEU  84          HD22      LEU  84  -3.251  -5.886  -3.041
  654   HD23  LEU  84          HD23      LEU  84  -4.066  -4.337  -2.843
  655    H    HIS  85           HN       HIS  85  -6.894  -9.641  -2.934
  656    HA   HIS  85           HA       HIS  85  -6.314 -12.239  -3.864
  657    HB2  HIS  85           HB2      HIS  85  -8.987 -10.833  -3.627
  658    HB3  HIS  85           HB1      HIS  85  -8.780 -12.561  -3.876
  659    HD1  HIS  85           HD1      HIS  85  -9.527 -10.281  -1.328
  660    HD2  HIS  85           HD2      HIS  85  -7.056 -13.619  -1.570
  661    HE1  HIS  85           HE1      HIS  85  -9.179 -11.052   1.053
  662    HE2  HIS  85           HE2      HIS  85  -7.727 -13.108   0.873
  663    HA   PRO  86           HA       PRO  86  -6.651 -11.933  -8.265
  664    HB2  PRO  86           HB2      PRO  86  -8.198 -14.170  -8.806
  665    HB3  PRO  86           HB1      PRO  86  -6.446 -14.180  -8.587
  666    HG2  PRO  86           HG2      PRO  86  -8.583 -14.907  -6.665
  667    HG3  PRO  86           HG1      PRO  86  -6.974 -15.620  -6.886
  668    HD2  PRO  86           HD2      PRO  86  -7.533 -13.958  -4.843
  669    HD3  PRO  86           HD1      PRO  86  -5.936 -14.007  -5.614
  670    H    ASP  87           HN       ASP  87  -9.575 -12.586  -6.405
  671    HA   ASP  87           HA       ASP  87 -11.425 -11.733  -8.393
  672    HB2  ASP  87           HB2      ASP  87 -11.601 -12.215  -5.431
  673    HB3  ASP  87           HB1      ASP  87 -12.943 -11.472  -6.290
  674    H    ASP  88           HN       ASP  88  -9.690 -10.157  -5.805
  675    HA   ASP  88           HA       ASP  88 -11.119  -7.663  -6.084
  676    HB2  ASP  88           HB2      ASP  88  -8.660  -8.437  -4.499
  677    HB3  ASP  88           HB1      ASP  88  -9.358  -6.824  -4.480
  678    H    ARG  89           HN       ARG  89  -8.821  -9.209  -7.861
  679    HA   ARG  89           HA       ARG  89  -7.498  -6.718  -8.677
  680    HB2  ARG  89           HB2      ARG  89  -6.147  -8.723  -7.832
  681    HB3  ARG  89           HB1      ARG  89  -6.567  -9.498  -9.352
  682    HG2  ARG  89           HG2      ARG  89  -5.513  -7.627 -10.564
  683    HG3  ARG  89           HG1      ARG  89  -5.024  -6.933  -9.017
  684    HD2  ARG  89           HD2      ARG  89  -4.136  -9.528 -10.256
  685    HD3  ARG  89           HD1      ARG  89  -3.151  -8.123  -9.852
  686    HE   ARG  89           HE       ARG  89  -4.496  -9.549  -7.678
  687   HH11  ARG  89          HH11      ARG  89  -1.525  -8.719  -9.383
  688   HH12  ARG  89          HH12      ARG  89  -0.474  -9.332  -8.048
  689   HH21  ARG  89          HH21      ARG  89  -3.171 -10.336  -5.972
  690   HH22  ARG  89          HH22      ARG  89  -1.370 -10.226  -6.176
  691    H    SER  90           HN       SER  90  -8.690  -9.786 -10.114
  692    HA   SER  90           HA       SER  90  -9.305  -8.229 -12.539
  693    HB2  SER  90           HB2      SER  90  -8.917 -10.545 -13.685
  694    HB3  SER  90           HB1      SER  90  -7.530  -9.551 -13.239
  695    HG   SER  90           HG       SER  90  -8.543 -11.868 -11.982
  696    H    LYS  91           HN       LYS  91 -11.328  -8.237 -10.885
  697    HA   LYS  91           HA       LYS  91 -13.326  -9.733 -12.260
  698    HB2  LYS  91           HB2      LYS  91 -12.362 -11.409 -10.595
  699    HB3  LYS  91           HB1      LYS  91 -13.058 -10.401  -9.334
  700    HG2  LYS  91           HG2      LYS  91 -15.265 -10.808 -10.100
  701    HG3  LYS  91           HG1      LYS  91 -14.678 -11.570 -11.578
  702    HD2  LYS  91           HD2      LYS  91 -14.050 -12.664  -8.851
  703    HD3  LYS  91           HD1      LYS  91 -15.512 -13.112  -9.730
  704    HE2  LYS  91           HE2      LYS  91 -12.733 -13.406 -10.854
  705    HE3  LYS  91           HE1      LYS  91 -13.574 -14.688  -9.985
  706    HZ1  LYS  91           HZ1      LYS  91 -13.860 -14.984 -12.327
  707    HZ2  LYS  91           HZ2      LYS  91 -14.438 -13.409 -12.519
  708    HZ3  LYS  91           HZ3      LYS  91 -15.351 -14.544 -11.661
  709    H    LEU  92           HN       LEU  92 -12.818  -8.282  -9.042
  710    HA   LEU  92           HA       LEU  92 -13.794  -6.549  -7.972
  711    HB2  LEU  92           HB2      LEU  92 -14.011  -5.770 -10.811
  712    HB3  LEU  92           HB1      LEU  92 -15.075  -4.918  -9.710
  713    HG   LEU  92           HG       LEU  92 -13.019  -3.668 -10.078
  714   HD11  LEU  92          HD11      LEU  92 -12.448  -3.218  -7.800
  715   HD12  LEU  92          HD12      LEU  92 -13.027  -4.804  -7.289
  716   HD13  LEU  92          HD13      LEU  92 -14.171  -3.594  -7.873
  717   HD21  LEU  92          HD21      LEU  92 -11.642  -6.110  -8.968
  718   HD22  LEU  92          HD22      LEU  92 -10.871  -4.548  -9.240
  719   HD23  LEU  92          HD23      LEU  92 -11.503  -5.468 -10.605
  720    H    SER  93           HN       SER  93 -15.438  -9.006  -8.980
  721    HA   SER  93           HA       SER  93 -18.131  -7.967  -8.848
  722    HB2  SER  93           HB2      SER  93 -17.233 -10.859  -8.796
  723    HB3  SER  93           HB1      SER  93 -18.837 -10.248  -9.204
  724    HG   SER  93           HG       SER  93 -17.291  -9.005 -10.842
  725    H    LYS  94           HN       LYS  94 -17.700  -6.953  -6.722
  726    HA   LYS  94           HA       LYS  94 -18.485  -8.794  -4.605
  727    HB2  LYS  94           HB2      LYS  94 -15.858  -8.214  -4.796
  728    HB3  LYS  94           HB1      LYS  94 -16.388  -6.844  -3.832
  729    HG2  LYS  94           HG2      LYS  94 -16.869  -8.116  -2.020
  730    HG3  LYS  94           HG1      LYS  94 -17.290  -9.532  -2.984
  731    HD2  LYS  94           HD2      LYS  94 -15.300 -10.329  -2.302
  732    HD3  LYS  94           HD1      LYS  94 -14.631  -9.265  -3.539
  733    HE2  LYS  94           HE2      LYS  94 -15.139  -8.251  -0.771
  734    HE3  LYS  94           HE1      LYS  94 -13.682  -9.173  -1.130
  735    HZ1  LYS  94           HZ1      LYS  94 -13.422  -6.728  -1.292
  736    HZ2  LYS  94           HZ2      LYS  94 -14.489  -6.736  -2.609
  737    HZ3  LYS  94           HZ3      LYS  94 -13.009  -7.560  -2.718
  738    HA   PRO  95           HA       PRO  95 -21.058  -5.209  -3.924
  739    HB2  PRO  95           HB2      PRO  95 -22.645  -6.292  -2.028
  740    HB3  PRO  95           HB1      PRO  95 -22.776  -6.736  -3.737
  741    HG2  PRO  95           HG2      PRO  95 -21.482  -8.222  -1.507
  742    HG3  PRO  95           HG1      PRO  95 -22.433  -8.840  -2.870
  743    HD2  PRO  95           HD2      PRO  95 -19.689  -8.879  -2.760
  744    HD3  PRO  95           HD1      PRO  95 -20.636  -8.909  -4.260
  745    H    MET  96           HN       MET  96 -21.223  -3.569  -2.429
  746    HA   MET  96           HA       MET  96 -19.718  -3.912   0.078
  747    HB2  MET  96           HB2      MET  96 -18.381  -2.612  -1.506
  748    HB3  MET  96           HB1      MET  96 -19.722  -1.500  -1.742
  749    HG2  MET  96           HG2      MET  96 -19.542  -0.682   0.482
  750    HG3  MET  96           HG1      MET  96 -18.379  -1.935   0.908
  751    HE1  MET  96           HE1      MET  96 -19.037   1.346  -1.099
  752    HE2  MET  96           HE2      MET  96 -18.538   0.266  -2.397
  753    HE3  MET  96           HE3      MET  96 -17.501   1.609  -1.921
  754    H    GLU  97           HN       GLU  97 -21.877  -1.594  -1.536
  755    HA   GLU  97           HA       GLU  97 -23.734  -0.493  -0.896
  756    HB2  GLU  97           HB2      GLU  97 -24.129  -3.047   0.005
  757    HB3  GLU  97           HB1      GLU  97 -24.375  -2.100   1.467
  758    HG2  GLU  97           HG2      GLU  97 -26.406  -2.597   0.017
  759    HG3  GLU  97           HG1      GLU  97 -26.173  -0.937   0.561
  760    H    THR  98           HN       THR  98 -23.064   1.428  -0.240
  761    HA   THR  98           HA       THR  98 -22.653   1.799   2.639
  762    HB   THR  98           HB       THR  98 -20.434   1.796   1.548
  763    HG1  THR  98           HG1      THR  98 -19.795   3.907   2.341
  764   HG21  THR  98          HG21      THR  98 -21.525   4.131  -0.026
  765   HG22  THR  98          HG22      THR  98 -21.033   2.562  -0.669
  766   HG23  THR  98          HG23      THR  98 -19.830   3.649   0.028
  767    H    LEU  99           HN       LEU  99 -22.521   4.379   2.942
  768    HA   LEU  99           HA       LEU  99 -23.715   6.303   3.067
  769    HB2  LEU  99           HB2      LEU  99 -24.325   5.707   0.173
  770    HB3  LEU  99           HB1      LEU  99 -24.562   7.253   0.964
  771    HG   LEU  99           HG       LEU  99 -21.842   5.990   0.866
  772   HD11  LEU  99          HD11      LEU  99 -22.581   6.022  -1.434
  773   HD12  LEU  99          HD12      LEU  99 -21.397   7.302  -1.171
  774   HD13  LEU  99          HD13      LEU  99 -23.111   7.695  -1.269
  775   HD21  LEU  99          HD21      LEU  99 -21.170   8.395   0.920
  776   HD22  LEU  99          HD22      LEU  99 -22.034   7.845   2.357
  777   HD23  LEU  99          HD23      LEU  99 -22.871   8.808   1.137
  778    H    ILE 100           HN       ILE 100 -25.096   4.679   4.411
  779    HA   ILE 100           HA       ILE 100 -27.872   4.990   3.491
  780    HB   ILE 100           HB       ILE 100 -28.289   2.798   4.838
  781   HG12  ILE 100          HG12      ILE 100 -25.409   2.421   3.983
  782   HG13  ILE 100          HG11      ILE 100 -25.977   2.541   5.645
  783   HG21  ILE 100          HG21      ILE 100 -27.085   2.775   2.076
  784   HG22  ILE 100          HG22      ILE 100 -28.773   3.083   2.477
  785   HG23  ILE 100          HG23      ILE 100 -28.073   1.493   2.773
  786   HD11  ILE 100          HD11      ILE 100 -25.525   0.233   4.978
  787   HD12  ILE 100          HD12      ILE 100 -26.736   0.371   3.702
  788   HD13  ILE 100          HD13      ILE 100 -27.222   0.481   5.394
  789    H    THR 101           HN       THR 101 -26.133   6.502   5.333
  790    HA   THR 101           HA       THR 101 -27.992   6.625   7.554
  791    HB   THR 101           HB       THR 101 -25.054   6.495   8.207
  792    HG1  THR 101           HG1      THR 101 -26.894   4.367   7.878
  793   HG21  THR 101          HG21      THR 101 -25.890   5.970  10.449
  794   HG22  THR 101          HG22      THR 101 -27.549   6.048   9.851
  795   HG23  THR 101          HG23      THR 101 -26.545   7.499   9.863
  796    H    THR 102           HN       THR 102 -28.370   8.711   8.029
  797    HA   THR 102           HA       THR 102 -26.867  10.754   6.669
  798    HB   THR 102           HB       THR 102 -29.035  11.194   8.717
  799    HG1  THR 102           HG1      THR 102 -29.430  10.813   5.917
  800   HG21  THR 102          HG21      THR 102 -27.872  13.200   8.001
  801   HG22  THR 102          HG22      THR 102 -29.499  13.184   7.318
  802   HG23  THR 102          HG23      THR 102 -28.114  12.767   6.311
  803    H    VAL 103           HN       VAL 103 -24.822  10.457   7.664
  804    HA   VAL 103           HA       VAL 103 -24.593  11.097  10.503
  805    HB   VAL 103           HB       VAL 103 -22.105  10.700  10.052
  806   HG11  VAL 103          HG11      VAL 103 -24.108   8.476   9.684
  807   HG12  VAL 103          HG12      VAL 103 -23.446   9.074  11.206
  808   HG13  VAL 103          HG13      VAL 103 -22.401   8.237  10.059
  809   HG21  VAL 103          HG21      VAL 103 -21.547   9.397   8.070
  810   HG22  VAL 103          HG22      VAL 103 -22.195  10.972   7.615
  811   HG23  VAL 103          HG23      VAL 103 -23.208   9.534   7.493
  812    H    ASP 104           HN       ASP 104 -25.286  12.992   8.235
  813    HA   ASP 104           HA       ASP 104 -23.453  15.122   9.049
  814    HB2  ASP 104           HB2      ASP 104 -23.100  15.892   6.835
  815    HB3  ASP 104           HB1      ASP 104 -22.840  14.152   6.750
  816    HHB  HEM 400           HB       HEM 400  11.176   4.607  -1.691
  817    HHC  HEM 400           HC       HEM 400   4.954   5.263  -2.584
  818    HHD  HEM 400           HD       HEM 400   5.885  11.159  -4.700
  819    HMA  HEM 400          HMA1      HEM 400  13.530   4.882  -2.569
  820   HMAA  HEM 400          HMA2      HEM 400  13.450   5.593  -0.964
  821   HMAB  HEM 400          HMA3      HEM 400  14.585   6.234  -2.148
  822    HAA  HEM 400          HAA1      HEM 400  14.679   8.580  -2.327
  823   HAAA  HEM 400          HAA2      HEM 400  13.943   9.677  -3.484
  824    HBA  HEM 400          HBA1      HEM 400  14.669   6.918  -4.393
  825   HBAA  HEM 400          HBA2      HEM 400  15.943   8.122  -4.211
  826    HMB  HEM 400          HMB1      HEM 400   9.688   2.146  -1.888
  827   HMBA  HEM 400          HMB2      HEM 400   8.597   2.173  -0.495
  828   HMBB  HEM 400          HMB3      HEM 400  10.108   3.086  -0.471
  829    HAB  HEM 400           HAB      HEM 400   6.337   2.093  -1.872
  830    HBB  HEM 400          HBB1      HEM 400   4.883   4.429  -0.385
  831   HBBA  HEM 400          HBB2      HEM 400   4.337   2.597  -0.576
  832    HMC  HEM 400          HMC1      HEM 400   2.205   7.593  -3.809
  833   HMCA  HEM 400          HMC2      HEM 400   2.827   6.702  -2.417
  834   HMCB  HEM 400          HMC3      HEM 400   3.028   6.066  -4.053
  835    HAC  HEM 400           HAC      HEM 400   3.662  10.527  -5.236
  836    HBC  HEM 400          HBC1      HEM 400   1.978   9.400  -2.854
  837   HBCA  HEM 400          HBC2      HEM 400   1.512  10.776  -4.108
  838    HMD  HEM 400          HMD1      HEM 400   6.764  13.020  -4.969
  839   HMDA  HEM 400          HMD2      HEM 400   7.873  13.105  -6.340
  840   HMDB  HEM 400          HMD3      HEM 400   8.259  13.928  -4.827
  841    HAD  HEM 400          HAD1      HEM 400  10.443  13.611  -5.147
  842   HADA  HEM 400          HAD2      HEM 400  11.589  12.721  -4.156
  843    HBD  HEM 400          HBD1      HEM 400  10.997  11.913  -7.001
  844   HBDA  HEM 400          HBD2      HEM 400  12.382  11.471  -6.002
  845    HHA  HEM 400           HA       HEM 400  12.139  10.400  -4.036
  Start of MODEL   23
    1    H1   MET   1           HT1      MET   1  21.707 -12.782  16.797
    2    H2   MET   1           HT2      MET   1  22.405 -12.364  18.276
    3    H3   MET   1           HT3      MET   1  21.321 -11.308  17.524
    4    HA   MET   1           HA       MET   1  20.685 -13.985  18.617
    5    HB2  MET   1           HB2      MET   1  20.983 -11.622  19.987
    6    HB3  MET   1           HB1      MET   1  19.265 -11.614  19.616
    7    HG2  MET   1           HG2      MET   1  19.422 -12.629  21.707
    8    HG3  MET   1           HG1      MET   1  19.205 -13.966  20.576
    9    HE1  MET   1           HE1      MET   1  20.114 -14.503  23.439
   10    HE2  MET   1           HE2      MET   1  21.547 -15.515  23.296
   11    HE3  MET   1           HE3      MET   1  20.146 -15.826  22.276
   12    H    ALA   2           HN       ALA   2  18.919 -10.985  17.875
   13    HA   ALA   2           HA       ALA   2  16.900 -12.598  16.500
   14    HB1  ALA   2           HB1      ALA   2  16.135 -11.075  18.266
   15    HB2  ALA   2           HB2      ALA   2  15.455 -10.652  16.696
   16    HB3  ALA   2           HB3      ALA   2  16.789  -9.710  17.364
   17    H    ALA   3           HN       ALA   3  17.572 -12.942  14.461
   18    HA   ALA   3           HA       ALA   3  17.729 -10.653  12.695
   19    HB1  ALA   3           HB1      ALA   3  20.053 -10.897  13.398
   20    HB2  ALA   3           HB2      ALA   3  19.863 -11.324  11.695
   21    HB3  ALA   3           HB3      ALA   3  20.030 -12.593  12.910
   22    H    GLN   4           HN       GLN   4  16.078 -11.291  11.411
   23    HA   GLN   4           HA       GLN   4  16.453 -13.784   9.942
   24    HB2  GLN   4           HB2      GLN   4  13.951 -14.201  10.119
   25    HB3  GLN   4           HB1      GLN   4  14.910 -14.549  11.546
   26    HG2  GLN   4           HG2      GLN   4  14.120 -12.654  12.678
   27    HG3  GLN   4           HG1      GLN   4  13.472 -11.942  11.199
   28   HE21  GLN   4          HE21      GLN   4  11.449 -11.722  12.217
   29   HE22  GLN   4          HE22      GLN   4  10.393 -13.077  12.424
   30    H    SER   5           HN       SER   5  15.927 -13.675   7.851
   31    HA   SER   5           HA       SER   5  14.703 -11.174   6.902
   32    HB2  SER   5           HB2      SER   5  16.368 -12.754   5.033
   33    HB3  SER   5           HB1      SER   5  16.271 -11.007   5.252
   34    HG   SER   5           HG       SER   5  18.015 -12.803   6.322
   35    H    ASP   6           HN       ASP   6  12.797 -12.653   7.465
   36    HA   ASP   6           HA       ASP   6  12.226 -14.772   5.601
   37    HB2  ASP   6           HB2      ASP   6  11.299 -14.054   8.142
   38    HB3  ASP   6           HB1      ASP   6   9.917 -13.838   7.076
   39    H    LYS   7           HN       LYS   7  11.238 -14.604   3.718
   40    HA   LYS   7           HA       LYS   7   9.904 -12.065   3.076
   41    HB2  LYS   7           HB2      LYS   7  11.137 -14.105   1.207
   42    HB3  LYS   7           HB1      LYS   7  10.324 -12.630   0.702
   43    HG2  LYS   7           HG2      LYS   7  12.913 -12.871   2.223
   44    HG3  LYS   7           HG1      LYS   7  12.665 -12.238   0.593
   45    HD2  LYS   7           HD2      LYS   7  11.419 -10.359   1.474
   46    HD3  LYS   7           HD1      LYS   7  11.532 -11.013   3.109
   47    HE2  LYS   7           HE2      LYS   7  14.059 -10.892   2.792
   48    HE3  LYS   7           HE1      LYS   7  13.713  -9.881   1.390
   49    HZ1  LYS   7           HZ1      LYS   7  12.545  -8.335   2.831
   50    HZ2  LYS   7           HZ2      LYS   7  14.130  -8.561   3.370
   51    HZ3  LYS   7           HZ3      LYS   7  12.853  -9.313   4.176
   52    H    ASP   8           HN       ASP   8   7.797 -12.189   3.206
   53    HA   ASP   8           HA       ASP   8   6.460 -14.648   2.299
   54    HB2  ASP   8           HB2      ASP   8   6.480 -14.390   4.798
   55    HB3  ASP   8           HB1      ASP   8   5.547 -12.911   4.599
   56    H    VAL   9           HN       VAL   9   4.337 -14.343   1.441
   57    HA   VAL   9           HA       VAL   9   3.699 -11.586   0.680
   58    HB   VAL   9           HB       VAL   9   4.786 -12.465  -1.263
   59   HG11  VAL   9          HG11      VAL   9   2.934 -14.831  -1.066
   60   HG12  VAL   9          HG12      VAL   9   4.678 -14.829  -0.803
   61   HG13  VAL   9          HG13      VAL   9   4.029 -14.503  -2.410
   62   HG21  VAL   9          HG21      VAL   9   2.838 -11.108  -1.719
   63   HG22  VAL   9          HG22      VAL   9   1.796 -12.529  -1.637
   64   HG23  VAL   9          HG23      VAL   9   2.983 -12.380  -2.932
   65    H    LYS  10           HN       LYS  10   2.082 -11.503   2.186
   66    HA   LYS  10           HA       LYS  10  -0.012 -13.513   2.154
   67    HB2  LYS  10           HB2      LYS  10   0.837 -12.546   4.286
   68    HB3  LYS  10           HB1      LYS  10   0.185 -10.984   3.798
   69    HG2  LYS  10           HG2      LYS  10  -1.789 -11.530   4.643
   70    HG3  LYS  10           HG1      LYS  10  -1.878 -12.930   3.573
   71    HD2  LYS  10           HD2      LYS  10  -0.420 -12.907   6.216
   72    HD3  LYS  10           HD1      LYS  10  -2.080 -13.465   6.008
   73    HE2  LYS  10           HE2      LYS  10   0.254 -14.596   4.479
   74    HE3  LYS  10           HE1      LYS  10  -0.321 -15.265   6.004
   75    HZ1  LYS  10           HZ1      LYS  10  -1.985 -14.975   3.558
   76    HZ2  LYS  10           HZ2      LYS  10  -2.439 -15.722   5.005
   77    HZ3  LYS  10           HZ3      LYS  10  -1.228 -16.408   4.046
   78    H    TYR  11           HN       TYR  11  -1.697 -13.387   0.868
   79    HA   TYR  11           HA       TYR  11  -2.238 -10.980  -0.609
   80    HB2  TYR  11           HB2      TYR  11  -3.261 -13.784  -0.660
   81    HB3  TYR  11           HB1      TYR  11  -4.252 -12.519  -1.378
   82    HD1  TYR  11           HD2      TYR  11  -0.739 -13.787  -1.427
   83    HD2  TYR  11           HD1      TYR  11  -3.912 -11.975  -3.592
   84    HE1  TYR  11           HE2      TYR  11   0.616 -13.879  -3.475
   85    HE2  TYR  11           HE1      TYR  11  -2.572 -12.063  -5.650
   86    HH   TYR  11           HH       TYR  11   0.095 -12.107  -6.104
   87    H    TYR  12           HN       TYR  12  -3.244  -9.376   0.360
   88    HA   TYR  12           HA       TYR  12  -5.256  -9.920   2.402
   89    HB2  TYR  12           HB2      TYR  12  -4.058  -7.301   1.468
   90    HB3  TYR  12           HB1      TYR  12  -5.204  -7.479   2.794
   91    HD1  TYR  12           HD2      TYR  12  -4.452  -9.063   4.745
   92    HD2  TYR  12           HD1      TYR  12  -1.778  -7.340   1.911
   93    HE1  TYR  12           HE2      TYR  12  -2.580  -9.401   6.306
   94    HE2  TYR  12           HE1      TYR  12   0.094  -7.675   3.467
   95    HH   TYR  12           HH       TYR  12  -0.085  -9.654   6.167
   96    H    THR  13           HN       THR  13  -7.215  -8.400   2.327
   97    HA   THR  13           HA       THR  13  -8.384  -8.620  -0.348
   98    HB   THR  13           HB       THR  13 -10.404  -7.863   1.413
   99    HG1  THR  13           HG1      THR  13 -10.117  -9.249   3.199
  100   HG21  THR  13          HG21      THR  13 -10.412  -9.593  -0.412
  101   HG22  THR  13          HG22      THR  13 -11.251 -10.071   1.061
  102   HG23  THR  13          HG23      THR  13  -9.639 -10.698   0.725
  103    H    LEU  14           HN       LEU  14  -9.860  -6.872  -1.049
  104    HA   LEU  14           HA       LEU  14  -8.602  -4.359  -1.020
  105    HB2  LEU  14           HB2      LEU  14 -10.092  -5.161  -2.815
  106    HB3  LEU  14           HB1      LEU  14 -11.461  -5.020  -1.728
  107    HG   LEU  14           HG       LEU  14 -10.612  -2.506  -1.574
  108   HD11  LEU  14          HD11      LEU  14  -9.764  -1.709  -3.706
  109   HD12  LEU  14          HD12      LEU  14  -9.724  -3.363  -4.324
  110   HD13  LEU  14          HD13      LEU  14  -8.657  -2.887  -3.002
  111   HD21  LEU  14          HD21      LEU  14 -12.203  -1.957  -3.381
  112   HD22  LEU  14          HD22      LEU  14 -12.837  -3.154  -2.254
  113   HD23  LEU  14          HD23      LEU  14 -12.242  -3.660  -3.835
  114    H    GLU  15           HN       GLU  15 -11.298  -5.656   0.834
  115    HA   GLU  15           HA       GLU  15 -11.870  -3.140   2.115
  116    HB2  GLU  15           HB2      GLU  15 -13.459  -4.451   3.463
  117    HB3  GLU  15           HB1      GLU  15 -13.660  -4.748   1.744
  118    HG2  GLU  15           HG2      GLU  15 -11.885  -6.587   3.242
  119    HG3  GLU  15           HG1      GLU  15 -13.617  -6.695   3.552
  120    H    GLU  16           HN       GLU  16  -9.434  -5.359   2.496
  121    HA   GLU  16           HA       GLU  16  -9.225  -5.105   5.397
  122    HB2  GLU  16           HB2      GLU  16  -8.782  -7.300   4.460
  123    HB3  GLU  16           HB1      GLU  16  -7.573  -6.633   3.373
  124    HG2  GLU  16           HG2      GLU  16  -6.416  -7.711   5.129
  125    HG3  GLU  16           HG1      GLU  16  -6.247  -5.976   5.389
  126    H    ILE  17           HN       ILE  17  -7.326  -4.361   2.496
  127    HA   ILE  17           HA       ILE  17  -5.198  -3.102   3.815
  128    HB   ILE  17           HB       ILE  17  -4.831  -1.947   1.551
  129   HG12  ILE  17          HG12      ILE  17  -6.114  -3.596  -0.180
  130   HG13  ILE  17          HG11      ILE  17  -7.349  -3.426   1.062
  131   HG21  ILE  17          HG21      ILE  17  -3.870  -3.943   0.622
  132   HG22  ILE  17          HG22      ILE  17  -4.930  -4.959   1.599
  133   HG23  ILE  17          HG23      ILE  17  -3.681  -3.985   2.375
  134   HD11  ILE  17          HD11      ILE  17  -7.673  -1.794  -0.682
  135   HD12  ILE  17          HD12      ILE  17  -6.033  -1.190  -0.462
  136   HD13  ILE  17          HD13      ILE  17  -7.224  -0.986   0.820
  137    H    LYS  18           HN       LYS  18  -8.303  -1.819   2.778
  138    HA   LYS  18           HA       LYS  18  -7.439   0.878   3.516
  139    HB2  LYS  18           HB2      LYS  18  -9.567   1.642   2.547
  140    HB3  LYS  18           HB1      LYS  18  -8.630   0.695   1.401
  141    HG2  LYS  18           HG2      LYS  18 -10.046  -1.222   1.759
  142    HG3  LYS  18           HG1      LYS  18 -10.937  -0.361   3.016
  143    HD2  LYS  18           HD2      LYS  18 -12.226  -0.291   0.993
  144    HD3  LYS  18           HD1      LYS  18 -11.596   1.326   1.308
  145    HE2  LYS  18           HE2      LYS  18  -9.864  -0.360  -0.355
  146    HE3  LYS  18           HE1      LYS  18 -11.428   0.015  -1.075
  147    HZ1  LYS  18           HZ1      LYS  18  -9.216   1.817  -0.388
  148    HZ2  LYS  18           HZ2      LYS  18 -10.794   2.423  -0.306
  149    HZ3  LYS  18           HZ3      LYS  18 -10.205   1.798  -1.764
  150    H    LYS  19           HN       LYS  19  -8.031  -1.432   5.376
  151    HA   LYS  19           HA       LYS  19  -9.984   0.000   7.060
  152    HB2  LYS  19           HB2      LYS  19 -10.608  -2.341   6.129
  153    HB3  LYS  19           HB1      LYS  19  -9.443  -2.951   7.298
  154    HG2  LYS  19           HG2      LYS  19 -11.481  -3.116   8.398
  155    HG3  LYS  19           HG1      LYS  19 -10.777  -1.631   9.039
  156    HD2  LYS  19           HD2      LYS  19 -13.065  -1.174   8.570
  157    HD3  LYS  19           HD1      LYS  19 -12.116  -0.377   7.315
  158    HE2  LYS  19           HE2      LYS  19 -12.695  -1.973   5.704
  159    HE3  LYS  19           HE1      LYS  19 -13.227  -3.134   6.918
  160    HZ1  LYS  19           HZ1      LYS  19 -15.081  -1.635   7.437
  161    HZ2  LYS  19           HZ2      LYS  19 -15.121  -2.161   5.830
  162    HZ3  LYS  19           HZ3      LYS  19 -14.593  -0.598   6.192
  163    H    HIS  20           HN       HIS  20  -6.805  -0.782   6.669
  164    HA   HIS  20           HA       HIS  20  -6.288  -0.773   9.570
  165    HB2  HIS  20           HB2      HIS  20  -5.115  -2.337   7.360
  166    HB3  HIS  20           HB1      HIS  20  -3.959  -1.693   8.521
  167    HD1  HIS  20           HD1      HIS  20  -6.520  -4.338   8.087
  168    HD2  HIS  20           HD2      HIS  20  -4.320  -2.652  11.194
  169    HE1  HIS  20           HE1      HIS  20  -6.706  -5.943  10.002
  170    HE2  HIS  20           HE2      HIS  20  -5.225  -4.996  11.798
  171    H    ASN  21           HN       ASN  21  -5.908   0.954   6.676
  172    HA   ASN  21           HA       ASN  21  -3.436   2.233   7.253
  173    HB2  ASN  21           HB2      ASN  21  -4.154   3.874   5.491
  174    HB3  ASN  21           HB1      ASN  21  -4.139   2.195   4.970
  175   HD21  ASN  21          HD21      ASN  21  -5.643   4.675   4.117
  176   HD22  ASN  21          HD22      ASN  21  -7.291   4.164   4.067
  177    H    HIS  22           HN       HIS  22  -3.389   3.126   9.258
  178    HA   HIS  22           HA       HIS  22  -5.142   5.448   9.640
  179    HB2  HIS  22           HB2      HIS  22  -4.513   3.305  11.665
  180    HB3  HIS  22           HB1      HIS  22  -5.086   4.902  12.134
  181    HD1  HIS  22           HD1      HIS  22  -7.246   5.286   9.937
  182    HD2  HIS  22           HD2      HIS  22  -6.738   1.826  12.181
  183    HE1  HIS  22           HE1      HIS  22  -9.462   4.109   9.875
  184    HE2  HIS  22           HE2      HIS  22  -9.187   2.145  11.424
  185    H    SER  23           HN       SER  23  -2.459   3.983  11.516
  186    HA   SER  23           HA       SER  23  -0.808   6.292  10.866
  187    HB2  SER  23           HB2      SER  23  -1.467   5.584  13.734
  188    HB3  SER  23           HB1      SER  23  -0.375   6.861  13.199
  189    HG   SER  23           HG       SER  23  -2.555   7.368  11.928
  190    H    LYS  24           HN       LYS  24  -0.985   3.311  12.839
  191    HA   LYS  24           HA       LYS  24   1.880   2.945  12.279
  192    HB2  LYS  24           HB2      LYS  24   1.831   1.333  14.203
  193    HB3  LYS  24           HB1      LYS  24   1.520   3.010  14.628
  194    HG2  LYS  24           HG2      LYS  24  -0.882   2.531  14.717
  195    HG3  LYS  24           HG1      LYS  24  -0.547   0.844  14.321
  196    HD2  LYS  24           HD2      LYS  24   0.817   0.657  16.355
  197    HD3  LYS  24           HD1      LYS  24   0.428   2.329  16.759
  198    HE2  LYS  24           HE2      LYS  24  -1.908   1.785  16.965
  199    HE3  LYS  24           HE1      LYS  24  -1.609   0.140  16.406
  200    HZ1  LYS  24           HZ1      LYS  24  -0.733   1.367  18.955
  201    HZ2  LYS  24           HZ2      LYS  24  -0.134  -0.109  18.389
  202    HZ3  LYS  24           HZ3      LYS  24  -1.779   0.054  18.740
  203    H    SER  25           HN       SER  25  -0.510   2.274  10.603
  204    HA   SER  25           HA       SER  25   0.422  -0.322   9.751
  205    HB2  SER  25           HB2      SER  25  -2.456   0.071  10.622
  206    HB3  SER  25           HB1      SER  25  -1.845  -1.343   9.760
  207    HG   SER  25           HG       SER  25  -0.288  -0.893  11.881
  208    H    THR  26           HN       THR  26   0.400   2.381   8.775
  209    HA   THR  26           HA       THR  26  -1.591   2.630   6.723
  210    HB   THR  26           HB       THR  26   0.969   4.169   6.716
  211    HG1  THR  26           HG1      THR  26   0.624   4.637   8.756
  212   HG21  THR  26          HG21      THR  26  -1.920   4.932   6.278
  213   HG22  THR  26          HG22      THR  26  -0.712   4.669   5.018
  214   HG23  THR  26          HG23      THR  26  -0.542   6.025   6.136
  215    H    TRP  27           HN       TRP  27  -1.543   1.276   5.040
  216    HA   TRP  27           HA       TRP  27   1.068   0.636   3.852
  217    HB2  TRP  27           HB2      TRP  27  -1.492  -0.971   3.832
  218    HB3  TRP  27           HB1      TRP  27  -0.030  -1.409   2.955
  219    HD1  TRP  27           HD1      TRP  27   1.907  -0.535   5.497
  220    HE1  TRP  27           HE1      TRP  27   2.108  -2.205   7.439
  221    HE3  TRP  27           HE3      TRP  27  -2.326  -3.268   4.638
  222    HZ2  TRP  27           HZ2      TRP  27   0.651  -4.402   8.476
  223    HZ3  TRP  27           HZ3      TRP  27  -2.850  -5.137   6.153
  224    HH2  TRP  27           HH2      TRP  27  -1.390  -5.690   8.029
  225    H    LEU  28           HN       LEU  28   1.351   0.765   1.676
  226    HA   LEU  28           HA       LEU  28  -0.794   2.094   0.152
  227    HB2  LEU  28           HB2      LEU  28   2.189   2.453   0.094
  228    HB3  LEU  28           HB1      LEU  28   1.219   2.839  -1.314
  229    HG   LEU  28           HG       LEU  28  -0.125   4.248   0.550
  230   HD11  LEU  28          HD11      LEU  28   1.466   3.565   2.320
  231   HD12  LEU  28          HD12      LEU  28   1.400   5.309   2.074
  232   HD13  LEU  28          HD13      LEU  28   2.752   4.379   1.431
  233   HD21  LEU  28          HD21      LEU  28   1.227   6.204  -0.212
  234   HD22  LEU  28          HD22      LEU  28   0.627   5.179  -1.517
  235   HD23  LEU  28          HD23      LEU  28   2.315   5.070  -1.013
  236    H    ILE  29           HN       ILE  29  -1.021   1.470  -2.058
  237    HA   ILE  29           HA       ILE  29   0.091  -1.202  -2.600
  238    HB   ILE  29           HB       ILE  29  -2.546  -0.033  -3.481
  239   HG12  ILE  29          HG12      ILE  29  -2.047  -2.440  -1.738
  240   HG13  ILE  29          HG11      ILE  29  -2.270  -0.823  -1.079
  241   HG21  ILE  29          HG21      ILE  29  -2.996  -2.240  -4.456
  242   HG22  ILE  29          HG22      ILE  29  -1.350  -2.738  -4.063
  243   HG23  ILE  29          HG23      ILE  29  -1.626  -1.445  -5.232
  244   HD11  ILE  29          HD11      ILE  29  -4.266  -2.290  -2.783
  245   HD12  ILE  29          HD12      ILE  29  -4.489  -0.714  -2.023
  246   HD13  ILE  29          HD13      ILE  29  -4.317  -2.157  -1.025
  247    H    LEU  30           HN       LEU  30   1.474  -1.305  -4.203
  248    HA   LEU  30           HA       LEU  30   1.188   0.567  -6.460
  249    HB2  LEU  30           HB2      LEU  30   3.819  -0.393  -5.334
  250    HB3  LEU  30           HB1      LEU  30   3.593   0.741  -6.649
  251    HG   LEU  30           HG       LEU  30   2.793   1.267  -3.784
  252   HD11  LEU  30          HD11      LEU  30   4.734   2.760  -3.738
  253   HD12  LEU  30          HD12      LEU  30   5.196   2.194  -5.346
  254   HD13  LEU  30          HD13      LEU  30   5.200   1.075  -3.981
  255   HD21  LEU  30          HD21      LEU  30   2.744   2.913  -6.293
  256   HD22  LEU  30          HD22      LEU  30   2.792   3.655  -4.695
  257   HD23  LEU  30          HD23      LEU  30   1.441   2.615  -5.145
  258    H    HIS  31           HN       HIS  31   1.008  -0.433  -8.358
  259    HA   HIS  31           HA       HIS  31   1.062  -2.028  -9.981
  260    HB2  HIS  31           HB2      HIS  31   3.379  -3.005  -8.310
  261    HB3  HIS  31           HB1      HIS  31   2.838  -3.882  -9.735
  262    HD1  HIS  31           HD1      HIS  31   5.053  -3.444 -10.982
  263    HD2  HIS  31           HD2      HIS  31   3.049   0.019  -9.859
  264    HE1  HIS  31           HE1      HIS  31   6.188  -1.573 -12.219
  265    HE2  HIS  31           HE2      HIS  31   4.807   0.466 -11.706
  266    H    HIS  32           HN       HIS  32  -0.551  -2.191  -7.554
  267    HA   HIS  32           HA       HIS  32  -2.169  -3.506  -6.690
  268    HB2  HIS  32           HB2      HIS  32  -1.277  -5.385  -8.871
  269    HB3  HIS  32           HB1      HIS  32  -2.564  -5.798  -7.743
  270    HD1  HIS  32           HD1      HIS  32  -2.626  -5.083 -10.981
  271    HD2  HIS  32           HD2      HIS  32  -4.139  -2.908  -7.778
  272    HE1  HIS  32           HE1      HIS  32  -4.435  -3.629 -11.944
  273    HE2  HIS  32           HE2      HIS  32  -5.142  -2.148 -10.034
  274    H    LYS  33           HN       LYS  33   0.701  -3.582  -5.834
  275    HA   LYS  33           HA       LYS  33   0.597  -6.082  -4.277
  276    HB2  LYS  33           HB2      LYS  33   3.048  -4.429  -4.918
  277    HB3  LYS  33           HB1      LYS  33   3.015  -5.976  -4.084
  278    HG2  LYS  33           HG2      LYS  33   2.108  -6.999  -6.173
  279    HG3  LYS  33           HG1      LYS  33   2.375  -5.449  -6.978
  280    HD2  LYS  33           HD2      LYS  33   4.766  -5.591  -6.332
  281    HD3  LYS  33           HD1      LYS  33   4.460  -7.203  -5.685
  282    HE2  LYS  33           HE2      LYS  33   4.044  -6.344  -8.543
  283    HE3  LYS  33           HE1      LYS  33   5.413  -7.276  -7.945
  284    HZ1  LYS  33           HZ1      LYS  33   3.536  -8.870  -7.128
  285    HZ2  LYS  33           HZ2      LYS  33   4.056  -8.913  -8.738
  286    HZ3  LYS  33           HZ3      LYS  33   2.628  -8.109  -8.339
  287    H    VAL  34           HN       VAL  34   1.117  -5.937  -2.029
  288    HA   VAL  34           HA       VAL  34   0.440  -3.321  -0.904
  289    HB   VAL  34           HB       VAL  34   0.697  -5.959   0.546
  290   HG11  VAL  34          HG11      VAL  34  -0.502  -4.923   2.319
  291   HG12  VAL  34          HG12      VAL  34  -0.846  -3.496   1.343
  292   HG13  VAL  34          HG13      VAL  34   0.803  -3.822   1.877
  293   HG21  VAL  34          HG21      VAL  34  -0.991  -6.166  -1.185
  294   HG22  VAL  34          HG22      VAL  34  -1.752  -4.667  -0.652
  295   HG23  VAL  34          HG23      VAL  34  -1.759  -6.081   0.398
  296    H    TYR  35           HN       TYR  35   1.919  -2.032  -0.039
  297    HA   TYR  35           HA       TYR  35   4.502  -3.209   0.760
  298    HB2  TYR  35           HB2      TYR  35   3.912  -0.474  -0.390
  299    HB3  TYR  35           HB1      TYR  35   5.481  -0.968   0.238
  300    HD1  TYR  35           HD1      TYR  35   3.076  -1.355  -2.497
  301    HD2  TYR  35           HD2      TYR  35   6.869  -2.546  -0.988
  302    HE1  TYR  35           HE1      TYR  35   3.646  -2.299  -4.691
  303    HE2  TYR  35           HE2      TYR  35   7.452  -3.493  -3.183
  304    HH   TYR  35           HH       TYR  35   5.550  -2.913  -5.993
  305    H    ASP  36           HN       ASP  36   5.077  -3.007   2.806
  306    HA   ASP  36           HA       ASP  36   3.459  -1.340   4.578
  307    HB2  ASP  36           HB2      ASP  36   3.657  -3.595   5.341
  308    HB3  ASP  36           HB1      ASP  36   5.402  -3.592   5.106
  309    H    LEU  37           HN       LEU  37   4.167   0.674   4.620
  310    HA   LEU  37           HA       LEU  37   6.945   1.120   5.425
  311    HB2  LEU  37           HB2      LEU  37   7.199   2.977   3.898
  312    HB3  LEU  37           HB1      LEU  37   6.821   1.521   2.999
  313    HG   LEU  37           HG       LEU  37   4.567   3.332   3.720
  314   HD11  LEU  37          HD11      LEU  37   6.530   3.879   1.498
  315   HD12  LEU  37          HD12      LEU  37   6.260   4.882   2.924
  316   HD13  LEU  37          HD13      LEU  37   4.980   4.692   1.726
  317   HD21  LEU  37          HD21      LEU  37   3.757   2.584   1.534
  318   HD22  LEU  37          HD22      LEU  37   4.130   1.225   2.592
  319   HD23  LEU  37          HD23      LEU  37   5.244   1.671   1.299
  320    H    THR  38           HN       THR  38   4.479   1.044   6.894
  321    HA   THR  38           HA       THR  38   3.423   3.605   7.363
  322    HB   THR  38           HB       THR  38   2.434   1.365   8.073
  323    HG1  THR  38           HG1      THR  38   2.555   3.535   9.924
  324   HG21  THR  38          HG21      THR  38   4.224   1.807  10.464
  325   HG22  THR  38          HG22      THR  38   4.420   0.522   9.275
  326   HG23  THR  38          HG23      THR  38   2.987   0.562  10.302
  327    H    LYS  39           HN       LYS  39   6.404   2.205   8.279
  328    HA   LYS  39           HA       LYS  39   6.822   4.223  10.358
  329    HB2  LYS  39           HB2      LYS  39   8.132   1.610   9.712
  330    HB3  LYS  39           HB1      LYS  39   9.039   2.829  10.598
  331    HG2  LYS  39           HG2      LYS  39   6.351   1.781  11.456
  332    HG3  LYS  39           HG1      LYS  39   7.896   1.152  12.034
  333    HD2  LYS  39           HD2      LYS  39   8.469   3.308  12.964
  334    HD3  LYS  39           HD1      LYS  39   6.999   4.020  12.301
  335    HE2  LYS  39           HE2      LYS  39   5.645   2.583  13.716
  336    HE3  LYS  39           HE1      LYS  39   7.099   1.810  14.348
  337    HZ1  LYS  39           HZ1      LYS  39   7.781   3.908  15.291
  338    HZ2  LYS  39           HZ2      LYS  39   6.232   3.509  15.848
  339    HZ3  LYS  39           HZ3      LYS  39   6.424   4.684  14.649
  340    H    PHE  40           HN       PHE  40   7.026   4.122   7.187
  341    HA   PHE  40           HA       PHE  40   9.544   5.648   7.067
  342    HB2  PHE  40           HB2      PHE  40   8.857   3.361   5.628
  343    HB3  PHE  40           HB1      PHE  40   8.592   4.679   4.493
  344    HD1  PHE  40           HD1      PHE  40  11.080   3.026   6.640
  345    HD2  PHE  40           HD2      PHE  40  10.412   5.861   3.536
  346    HE1  PHE  40           HE1      PHE  40  13.497   3.097   6.191
  347    HE2  PHE  40           HE2      PHE  40  12.828   5.937   3.080
  348    HZ   PHE  40           HZ       PHE  40  14.377   4.552   4.408
  349    H    LEU  41           HN       LEU  41   6.371   6.083   7.259
  350    HA   LEU  41           HA       LEU  41   5.664   7.703   5.080
  351    HB2  LEU  41           HB2      LEU  41   4.699   7.965   7.931
  352    HB3  LEU  41           HB1      LEU  41   3.895   8.583   6.502
  353    HG   LEU  41           HG       LEU  41   4.354   5.648   7.022
  354   HD11  LEU  41          HD11      LEU  41   2.930   6.555   8.759
  355   HD12  LEU  41          HD12      LEU  41   1.978   5.581   7.639
  356   HD13  LEU  41          HD13      LEU  41   1.916   7.341   7.547
  357   HD21  LEU  41          HD21      LEU  41   2.538   7.083   5.085
  358   HD22  LEU  41          HD22      LEU  41   2.687   5.335   5.278
  359   HD23  LEU  41          HD23      LEU  41   4.049   6.276   4.666
  360    H    GLU  42           HN       GLU  42   7.000   8.534   8.245
  361    HA   GLU  42           HA       GLU  42   7.286  11.322   7.535
  362    HB2  GLU  42           HB2      GLU  42   8.451  11.370   9.830
  363    HB3  GLU  42           HB1      GLU  42   6.726  11.022   9.786
  364    HG2  GLU  42           HG2      GLU  42   7.125   8.688  10.089
  365    HG3  GLU  42           HG1      GLU  42   8.865   8.915   9.931
  366    H    GLU  43           HN       GLU  43   8.945   8.625   6.781
  367    HA   GLU  43           HA       GLU  43  11.559   9.984   6.751
  368    HB2  GLU  43           HB2      GLU  43  11.152   7.013   6.421
  369    HB3  GLU  43           HB1      GLU  43  12.630   7.872   6.833
  370    HG2  GLU  43           HG2      GLU  43  10.724   8.457   8.834
  371    HG3  GLU  43           HG1      GLU  43  10.692   6.717   8.557
  372    H    HIS  44           HN       HIS  44   9.194  10.068   4.896
  373    HA   HIS  44           HA       HIS  44  10.428   8.997   2.465
  374    HB2  HIS  44           HB2      HIS  44   8.112   8.287   2.913
  375    HB3  HIS  44           HB1      HIS  44   7.604   9.971   2.946
  376    HD1  HIS  44           HD1      HIS  44   6.950  10.992   0.737
  377    HD2  HIS  44           HD2      HIS  44   8.976   7.387   0.306
  378    HE1  HIS  44           HE1      HIS  44   6.820  10.395  -1.717
  379    HA   PRO  45           HA       PRO  45  11.617  13.213   1.594
  380    HB2  PRO  45           HB2      PRO  45  12.644  12.723  -0.884
  381    HB3  PRO  45           HB1      PRO  45  13.516  12.368   0.616
  382    HG2  PRO  45           HG2      PRO  45  11.999  10.523  -1.161
  383    HG3  PRO  45           HG1      PRO  45  13.533  10.259  -0.312
  384    HD2  PRO  45           HD2      PRO  45  11.173   9.273   0.587
  385    HD3  PRO  45           HD1      PRO  45  12.502   9.731   1.668
  386    H    GLY  46           HN       GLY  46   9.783  14.377   1.316
  387    HA2  GLY  46           HA2      GLY  46   8.906  15.534  -0.844
  388    HA3  GLY  46           HA1      GLY  46   8.189  13.950  -1.111
  389    H    GLY  47           HN       GLY  47   7.781  13.617   1.841
  390    HA2  GLY  47           HA2      GLY  47   6.437  15.187   3.371
  391    HA3  GLY  47           HA1      GLY  47   5.344  15.267   1.998
  392    H    GLU  48           HN       GLU  48   4.293  14.481   4.308
  393    HA   GLU  48           HA       GLU  48   4.164  11.547   4.189
  394    HB2  GLU  48           HB2      GLU  48   2.844  12.141   6.475
  395    HB3  GLU  48           HB1      GLU  48   4.567  11.812   6.394
  396    HG2  GLU  48           HG2      GLU  48   4.178  13.756   7.745
  397    HG3  GLU  48           HG1      GLU  48   5.004  14.229   6.262
  398    H    GLU  49           HN       GLU  49   2.288  14.470   3.924
  399    HA   GLU  49           HA       GLU  49  -0.279  13.367   4.161
  400    HB2  GLU  49           HB2      GLU  49   0.249  15.805   4.195
  401    HB3  GLU  49           HB1      GLU  49   0.504  15.732   2.457
  402    HG2  GLU  49           HG2      GLU  49  -1.718  15.474   1.997
  403    HG3  GLU  49           HG1      GLU  49  -2.070  14.739   3.559
  404    H    VAL  50           HN       VAL  50   1.879  13.674   1.397
  405    HA   VAL  50           HA       VAL  50   0.056  12.876  -0.587
  406    HB   VAL  50           HB       VAL  50   2.105  12.193  -1.892
  407   HG11  VAL  50          HG11      VAL  50   2.957  14.509  -2.100
  408   HG12  VAL  50          HG12      VAL  50   2.025  14.946  -0.667
  409   HG13  VAL  50          HG13      VAL  50   1.195  14.408  -2.127
  410   HG21  VAL  50          HG21      VAL  50   4.291  12.838  -0.973
  411   HG22  VAL  50          HG22      VAL  50   3.538  11.542  -0.043
  412   HG23  VAL  50          HG23      VAL  50   3.524  13.194   0.574
  413    H    LEU  51           HN       LEU  51   1.669  11.062   1.855
  414    HA   LEU  51           HA       LEU  51   1.326   8.544   0.448
  415    HB2  LEU  51           HB2      LEU  51   2.356   9.122   3.219
  416    HB3  LEU  51           HB1      LEU  51   2.352   7.547   2.449
  417    HG   LEU  51           HG       LEU  51   3.898   9.948   1.466
  418   HD11  LEU  51          HD11      LEU  51   4.842   7.476   2.910
  419   HD12  LEU  51          HD12      LEU  51   4.761   9.104   3.583
  420   HD13  LEU  51          HD13      LEU  51   5.869   8.752   2.257
  421   HD21  LEU  51          HD21      LEU  51   3.861   7.073   0.548
  422   HD22  LEU  51          HD22      LEU  51   5.003   8.300  -0.002
  423   HD23  LEU  51          HD23      LEU  51   3.283   8.474  -0.351
  424    H    ARG  52           HN       ARG  52   0.026  10.189   3.319
  425    HA   ARG  52           HA       ARG  52  -1.649   8.067   4.127
  426    HB2  ARG  52           HB2      ARG  52  -2.893   9.802   5.431
  427    HB3  ARG  52           HB1      ARG  52  -1.160   9.783   5.719
  428    HG2  ARG  52           HG2      ARG  52  -1.363  12.000   5.476
  429    HG3  ARG  52           HG1      ARG  52  -1.305  11.621   3.755
  430    HD2  ARG  52           HD2      ARG  52  -3.171  12.966   3.855
  431    HD3  ARG  52           HD1      ARG  52  -3.888  11.365   4.018
  432    HE   ARG  52           HE       ARG  52  -3.444  12.134   6.587
  433   HH11  ARG  52          HH11      ARG  52  -5.129  13.551   3.840
  434   HH12  ARG  52          HH12      ARG  52  -6.305  14.440   4.876
  435   HH21  ARG  52          HH21      ARG  52  -4.928  13.235   7.931
  436   HH22  ARG  52          HH22      ARG  52  -6.192  14.264   7.161
  437    H    GLU  53           HN       GLU  53  -2.031  10.481   1.655
  438    HA   GLU  53           HA       GLU  53  -4.883  10.005   1.421
  439    HB2  GLU  53           HB2      GLU  53  -4.859  11.663  -0.322
  440    HB3  GLU  53           HB1      GLU  53  -3.929  12.261   1.043
  441    HG2  GLU  53           HG2      GLU  53  -1.863  11.654  -0.110
  442    HG3  GLU  53           HG1      GLU  53  -2.806  11.078  -1.485
  443    H    GLN  54           HN       GLN  54  -2.127   8.442   0.418
  444    HA   GLN  54           HA       GLN  54  -3.509   7.273  -1.911
  445    HB2  GLN  54           HB2      GLN  54  -0.548   7.539  -1.344
  446    HB3  GLN  54           HB1      GLN  54  -1.212   6.594  -2.669
  447    HG2  GLN  54           HG2      GLN  54  -1.648   9.546  -2.293
  448    HG3  GLN  54           HG1      GLN  54  -0.416   8.839  -3.332
  449   HE21  GLN  54          HE21      GLN  54  -3.863   9.222  -2.832
  450   HE22  GLN  54          HE22      GLN  54  -4.322   8.890  -4.466
  451    H    ALA  55           HN       ALA  55  -3.157   6.745   1.169
  452    HA   ALA  55           HA       ALA  55  -2.219   4.002   1.141
  453    HB1  ALA  55           HB1      ALA  55  -3.329   5.704   3.372
  454    HB2  ALA  55           HB2      ALA  55  -1.625   5.396   3.034
  455    HB3  ALA  55           HB3      ALA  55  -2.672   4.078   3.563
  456    H    GLY  56           HN       GLY  56  -3.493   2.205   1.634
  457    HA2  GLY  56           HA2      GLY  56  -5.428   0.949   1.803
  458    HA3  GLY  56           HA1      GLY  56  -6.320   2.439   2.073
  459    H    GLY  57           HN       GLY  57  -4.299   2.124  -0.725
  460    HA2  GLY  57           HA2      GLY  57  -6.294   1.091  -2.484
  461    HA3  GLY  57           HA1      GLY  57  -6.192   2.844  -2.584
  462    H    ASP  58           HN       ASP  58  -5.655   1.498  -4.822
  463    HA   ASP  58           HA       ASP  58  -2.834   0.937  -5.068
  464    HB2  ASP  58           HB2      ASP  58  -4.531  -0.304  -6.388
  465    HB3  ASP  58           HB1      ASP  58  -4.937   1.190  -7.227
  466    H    ALA  59           HN       ALA  59  -1.372   2.464  -5.230
  467    HA   ALA  59           HA       ALA  59  -2.145   5.077  -6.348
  468    HB1  ALA  59           HB1      ALA  59  -0.399   6.050  -5.023
  469    HB2  ALA  59           HB2      ALA  59   0.189   4.457  -4.547
  470    HB3  ALA  59           HB3      ALA  59  -1.383   5.021  -3.984
  471    H    THR  60           HN       THR  60  -1.246   2.609  -7.790
  472    HA   THR  60           HA       THR  60   1.363   2.800  -8.722
  473    HB   THR  60           HB       THR  60  -1.054   1.937 -10.323
  474    HG1  THR  60           HG1      THR  60  -1.158   0.495  -8.766
  475   HG21  THR  60          HG21      THR  60   1.899   1.470 -10.615
  476   HG22  THR  60          HG22      THR  60   0.754   2.054 -11.821
  477   HG23  THR  60          HG23      THR  60   0.715   0.366 -11.310
  478    H    GLU  61           HN       GLU  61  -1.546   4.492  -9.742
  479    HA   GLU  61           HA       GLU  61  -0.654   5.656 -12.102
  480    HB2  GLU  61           HB2      GLU  61  -2.406   7.351 -11.705
  481    HB3  GLU  61           HB1      GLU  61  -2.983   5.717 -11.399
  482    HG2  GLU  61           HG2      GLU  61  -2.488   6.145  -8.955
  483    HG3  GLU  61           HG1      GLU  61  -2.283   7.839  -9.396
  484    H    ASN  62           HN       ASN  62  -0.236   6.692  -8.769
  485    HA   ASN  62           HA       ASN  62   1.010   9.183  -9.483
  486    HB2  ASN  62           HB2      ASN  62  -0.329   8.560  -7.323
  487    HB3  ASN  62           HB1      ASN  62   1.217   7.933  -6.763
  488   HD21  ASN  62          HD21      ASN  62  -0.380  10.151  -5.773
  489   HD22  ASN  62          HD22      ASN  62   0.653  11.540  -5.827
  490    H    PHE  63           HN       PHE  63   2.045   6.032  -8.306
  491    HA   PHE  63           HA       PHE  63   4.733   6.511  -7.834
  492    HB2  PHE  63           HB2      PHE  63   3.580   4.434  -7.246
  493    HB3  PHE  63           HB1      PHE  63   3.414   4.025  -8.949
  494    HD1  PHE  63           HD2      PHE  63   5.842   4.458  -6.198
  495    HD2  PHE  63           HD1      PHE  63   5.174   2.962 -10.130
  496    HE1  PHE  63           HE2      PHE  63   7.996   3.274  -6.111
  497    HE2  PHE  63           HE1      PHE  63   7.329   1.775 -10.045
  498    HZ   PHE  63           HZ       PHE  63   8.743   1.931  -8.032
  499    H    GLU  64           HN       GLU  64   3.179   5.499 -10.874
  500    HA   GLU  64           HA       GLU  64   5.660   5.588 -12.326
  501    HB2  GLU  64           HB2      GLU  64   4.273   5.076 -14.297
  502    HB3  GLU  64           HB1      GLU  64   3.964   3.975 -12.964
  503    HG2  GLU  64           HG2      GLU  64   2.006   5.532 -12.401
  504    HG3  GLU  64           HG1      GLU  64   2.238   6.172 -14.025
  505    H    ASP  65           HN       ASP  65   3.092   7.814 -11.659
  506    HA   ASP  65           HA       ASP  65   3.501   9.584 -13.831
  507    HB2  ASP  65           HB2      ASP  65   1.452   9.694 -12.544
  508    HB3  ASP  65           HB1      ASP  65   2.348  10.071 -11.077
  509    H    VAL  66           HN       VAL  66   4.694   9.564 -10.502
  510    HA   VAL  66           HA       VAL  66   6.329  11.887 -10.889
  511    HB   VAL  66           HB       VAL  66   6.297   9.832  -8.667
  512   HG11  VAL  66          HG11      VAL  66   8.506  10.986  -8.981
  513   HG12  VAL  66          HG12      VAL  66   7.743  11.217  -7.410
  514   HG13  VAL  66          HG13      VAL  66   7.681  12.502  -8.615
  515   HG21  VAL  66          HG21      VAL  66   4.274  11.224  -8.897
  516   HG22  VAL  66          HG22      VAL  66   5.273  12.667  -8.725
  517   HG23  VAL  66          HG23      VAL  66   5.140  11.521  -7.389
  518    H    GLY  67           HN       GLY  67   6.991   8.407 -10.524
  519    HA2  GLY  67           HA2      GLY  67   8.628   7.227 -11.750
  520    HA3  GLY  67           HA1      GLY  67   9.397   8.756 -12.153
  521    H    HIS  68           HN       HIS  68  10.107   6.067 -10.654
  522    HA   HIS  68           HA       HIS  68  11.458   7.426  -8.414
  523    HB2  HIS  68           HB2      HIS  68  10.213   4.696  -8.584
  524    HB3  HIS  68           HB1      HIS  68  11.510   5.008  -7.435
  525    HD1  HIS  68           HD1      HIS  68   8.166   6.646  -8.335
  526    HD2  HIS  68           HD2      HIS  68  10.575   5.796  -5.054
  527    HE1  HIS  68           HE1      HIS  68   6.915   7.480  -6.304
  528    H    SER  69           HN       SER  69  13.540   6.507  -7.788
  529    HA   SER  69           HA       SER  69  15.231   6.169 -10.035
  530    HB2  SER  69           HB2      SER  69  16.747   5.492  -7.828
  531    HB3  SER  69           HB1      SER  69  16.522   7.127  -8.445
  532    HG   SER  69           HG       SER  69  15.801   7.405  -6.459
  533    H    THR  70           HN       THR  70  16.790   4.362 -10.269
  534    HA   THR  70           HA       THR  70  15.434   1.896 -10.457
  535    HB   THR  70           HB       THR  70  18.033   1.169 -10.721
  536    HG1  THR  70           HG1      THR  70  19.095   2.967 -11.698
  537   HG21  THR  70          HG21      THR  70  16.409   2.653 -12.791
  538   HG22  THR  70          HG22      THR  70  16.238   0.943 -12.396
  539   HG23  THR  70          HG23      THR  70  17.735   1.540 -13.109
  540    H    ASP  71           HN       ASP  71  17.602   3.248  -8.045
  541    HA   ASP  71           HA       ASP  71  17.982   0.764  -6.657
  542    HB2  ASP  71           HB2      ASP  71  19.613   2.626  -6.550
  543    HB3  ASP  71           HB1      ASP  71  18.431   3.589  -5.669
  544    H    ALA  72           HN       ALA  72  15.828   3.520  -6.329
  545    HA   ALA  72           HA       ALA  72  14.749   3.024  -3.823
  546    HB1  ALA  72           HB1      ALA  72  12.861   4.360  -4.517
  547    HB2  ALA  72           HB2      ALA  72  13.294   4.142  -6.211
  548    HB3  ALA  72           HB3      ALA  72  14.352   5.062  -5.143
  549    H    ARG  73           HN       ARG  73  13.709   1.731  -6.974
  550    HA   ARG  73           HA       ARG  73  11.499   0.312  -5.872
  551    HB2  ARG  73           HB2      ARG  73  11.418  -0.834  -8.078
  552    HB3  ARG  73           HB1      ARG  73  11.420   0.920  -8.183
  553    HG2  ARG  73           HG2      ARG  73  12.988   0.616  -9.732
  554    HG3  ARG  73           HG1      ARG  73  14.073   0.371  -8.361
  555    HD2  ARG  73           HD2      ARG  73  14.470  -1.478  -9.719
  556    HD3  ARG  73           HD1      ARG  73  13.358  -2.091  -8.500
  557    HE   ARG  73           HE       ARG  73  11.787  -1.234 -10.596
  558   HH11  ARG  73          HH11      ARG  73  14.336  -3.599 -10.037
  559   HH12  ARG  73          HH12      ARG  73  13.771  -4.687 -11.366
  560   HH21  ARG  73          HH21      ARG  73  11.038  -2.585 -12.290
  561   HH22  ARG  73          HH22      ARG  73  11.920  -4.126 -12.615
  562    H    GLU  74           HN       GLU  74  14.857  -0.333  -5.959
  563    HA   GLU  74           HA       GLU  74  14.578  -3.204  -5.713
  564    HB2  GLU  74           HB2      GLU  74  16.987  -1.427  -5.252
  565    HB3  GLU  74           HB1      GLU  74  17.011  -3.183  -5.298
  566    HG2  GLU  74           HG2      GLU  74  16.140  -1.481  -7.615
  567    HG3  GLU  74           HG1      GLU  74  17.798  -2.024  -7.372
  568    H    LEU  75           HN       LEU  75  14.976  -0.396  -3.672
  569    HA   LEU  75           HA       LEU  75  15.460  -1.798  -1.238
  570    HB2  LEU  75           HB2      LEU  75  16.047   0.581  -1.589
  571    HB3  LEU  75           HB1      LEU  75  14.344   0.976  -1.680
  572    HG   LEU  75           HG       LEU  75  14.210  -0.053   0.698
  573   HD11  LEU  75          HD11      LEU  75  16.239   0.124   1.999
  574   HD12  LEU  75          HD12      LEU  75  17.145   0.634   0.576
  575   HD13  LEU  75          HD13      LEU  75  16.482  -0.997   0.660
  576   HD21  LEU  75          HD21      LEU  75  14.766   2.123   1.682
  577   HD22  LEU  75          HD22      LEU  75  13.823   2.290   0.202
  578   HD23  LEU  75          HD23      LEU  75  15.560   2.595   0.180
  579    H    SER  76           HN       SER  76  12.627  -0.693  -2.951
  580    HA   SER  76           HA       SER  76  10.740  -1.064  -0.874
  581    HB2  SER  76           HB2      SER  76  10.275  -1.100  -3.867
  582    HB3  SER  76           HB1      SER  76   9.067  -0.797  -2.617
  583    HG   SER  76           HG       SER  76  11.321   0.819  -3.257
  584    H    LYS  77           HN       LYS  77  12.519  -3.316  -2.587
  585    HA   LYS  77           HA       LYS  77  10.615  -5.360  -3.008
  586    HB2  LYS  77           HB2      LYS  77  13.127  -5.027  -3.824
  587    HB3  LYS  77           HB1      LYS  77  13.450  -6.054  -2.432
  588    HG2  LYS  77           HG2      LYS  77  12.211  -7.834  -3.322
  589    HG3  LYS  77           HG1      LYS  77  11.448  -6.803  -4.535
  590    HD2  LYS  77           HD2      LYS  77  13.887  -6.413  -5.348
  591    HD3  LYS  77           HD1      LYS  77  14.231  -7.894  -4.454
  592    HE2  LYS  77           HE2      LYS  77  12.721  -9.149  -5.783
  593    HE3  LYS  77           HE1      LYS  77  12.039  -7.691  -6.501
  594    HZ1  LYS  77           HZ1      LYS  77  13.533  -8.789  -8.029
  595    HZ2  LYS  77           HZ2      LYS  77  14.801  -8.693  -6.914
  596    HZ3  LYS  77           HZ3      LYS  77  14.158  -7.283  -7.585
  597    H    THR  78           HN       THR  78  12.228  -4.224  -0.180
  598    HA   THR  78           HA       THR  78  11.461  -6.661   1.263
  599    HB   THR  78           HB       THR  78  13.814  -5.795   1.516
  600    HG1  THR  78           HG1      THR  78  12.273  -5.848   3.917
  601   HG21  THR  78          HG21      THR  78  13.248  -3.382   1.586
  602   HG22  THR  78          HG22      THR  78  14.221  -3.897   2.967
  603   HG23  THR  78          HG23      THR  78  12.486  -3.635   3.160
  604    H    PHE  79           HN       PHE  79  10.048  -3.928   0.382
  605    HA   PHE  79           HA       PHE  79   8.830  -3.240   2.945
  606    HB2  PHE  79           HB2      PHE  79   8.790  -2.012   0.201
  607    HB3  PHE  79           HB1      PHE  79   7.536  -1.602   1.362
  608    HD1  PHE  79           HD1      PHE  79  10.953  -2.292   2.478
  609    HD2  PHE  79           HD2      PHE  79   8.169   0.720   1.372
  610    HE1  PHE  79           HE1      PHE  79  12.421  -0.581   3.461
  611    HE2  PHE  79           HE2      PHE  79   9.629   2.439   2.353
  612    HZ   PHE  79           HZ       PHE  79  11.764   1.787   3.398
  613    H    ILE  80           HN       ILE  80   8.199  -4.972   0.019
  614    HA   ILE  80           HA       ILE  80   5.360  -5.090   0.320
  615    HB   ILE  80           HB       ILE  80   6.206  -5.340  -1.895
  616   HG12  ILE  80          HG12      ILE  80   5.272  -8.059  -0.948
  617   HG13  ILE  80          HG11      ILE  80   4.217  -6.698  -1.318
  618   HG21  ILE  80          HG21      ILE  80   8.440  -6.122  -1.425
  619   HG22  ILE  80          HG22      ILE  80   7.660  -7.223  -2.562
  620   HG23  ILE  80          HG23      ILE  80   7.813  -7.672  -0.863
  621   HD11  ILE  80          HD11      ILE  80   4.229  -8.242  -3.154
  622   HD12  ILE  80          HD12      ILE  80   5.991  -8.179  -3.243
  623   HD13  ILE  80          HD13      ILE  80   5.035  -6.750  -3.644
  624    H    ILE  81           HN       ILE  81   4.233  -6.339   1.617
  625    HA   ILE  81           HA       ILE  81   5.514  -8.756   2.712
  626    HB   ILE  81           HB       ILE  81   4.334  -8.519   4.760
  627   HG12  ILE  81          HG12      ILE  81   2.207  -7.639   3.707
  628   HG13  ILE  81          HG11      ILE  81   2.643  -6.905   5.243
  629   HG21  ILE  81          HG21      ILE  81   5.442  -5.834   3.965
  630   HG22  ILE  81          HG22      ILE  81   6.351  -7.196   4.616
  631   HG23  ILE  81          HG23      ILE  81   5.157  -6.373   5.619
  632   HD11  ILE  81          HD11      ILE  81   3.679  -5.035   3.853
  633   HD12  ILE  81          HD12      ILE  81   1.918  -5.137   3.903
  634   HD13  ILE  81          HD13      ILE  81   2.795  -5.729   2.494
  635    H    GLY  82           HN       GLY  82   3.297  -7.755   0.549
  636    HA2  GLY  82           HA2      GLY  82   2.126 -10.262   0.192
  637    HA3  GLY  82           HA1      GLY  82   1.014  -9.290   1.143
  638    H    GLU  83           HN       GLU  83  -0.190  -9.909  -0.928
  639    HA   GLU  83           HA       GLU  83   0.018  -7.634  -2.765
  640    HB2  GLU  83           HB2      GLU  83  -0.075 -10.550  -3.466
  641    HB3  GLU  83           HB1      GLU  83  -0.776  -9.363  -4.554
  642    HG2  GLU  83           HG2      GLU  83   1.442  -8.200  -4.563
  643    HG3  GLU  83           HG1      GLU  83   2.087  -9.582  -3.679
  644    H    LEU  84           HN       LEU  84  -2.060  -7.670  -4.211
  645    HA   LEU  84           HA       LEU  84  -4.294  -7.762  -2.359
  646    HB2  LEU  84           HB2      LEU  84  -3.585  -6.211  -4.654
  647    HB3  LEU  84           HB1      LEU  84  -5.133  -6.977  -4.954
  648    HG   LEU  84           HG       LEU  84  -5.339  -4.707  -3.982
  649   HD11  LEU  84          HD11      LEU  84  -6.937  -5.315  -2.206
  650   HD12  LEU  84          HD12      LEU  84  -6.333  -6.971  -2.260
  651   HD13  LEU  84          HD13      LEU  84  -7.141  -6.282  -3.667
  652   HD21  LEU  84          HD21      LEU  84  -3.312  -4.795  -2.582
  653   HD22  LEU  84          HD22      LEU  84  -4.118  -5.953  -1.522
  654   HD23  LEU  84          HD23      LEU  84  -4.743  -4.312  -1.675
  655    H    HIS  85           HN       HIS  85  -6.090  -9.002  -2.579
  656    HA   HIS  85           HA       HIS  85  -5.905 -11.582  -3.561
  657    HB2  HIS  85           HB2      HIS  85  -7.985  -9.876  -2.454
  658    HB3  HIS  85           HB1      HIS  85  -8.625 -11.008  -3.637
  659    HD1  HIS  85           HD1      HIS  85  -6.613 -11.003  -0.426
  660    HD2  HIS  85           HD2      HIS  85  -8.991 -13.545  -2.694
  661    HE1  HIS  85           HE1      HIS  85  -6.903 -13.076   0.967
  662    HE2  HIS  85           HE2      HIS  85  -8.443 -14.548  -0.371
  663    HA   PRO  86           HA       PRO  86  -6.364 -11.268  -7.949
  664    HB2  PRO  86           HB2      PRO  86  -7.634 -13.673  -8.393
  665    HB3  PRO  86           HB1      PRO  86  -5.887 -13.488  -8.188
  666    HG2  PRO  86           HG2      PRO  86  -7.931 -14.343  -6.195
  667    HG3  PRO  86           HG1      PRO  86  -6.282 -14.948  -6.453
  668    HD2  PRO  86           HD2      PRO  86  -6.858 -13.281  -4.438
  669    HD3  PRO  86           HD1      PRO  86  -5.309 -13.196  -5.303
  670    H    ASP  87           HN       ASP  87  -9.121 -12.191  -5.953
  671    HA   ASP  87           HA       ASP  87 -11.123 -11.697  -7.896
  672    HB2  ASP  87           HB2      ASP  87 -11.341 -11.638  -4.874
  673    HB3  ASP  87           HB1      ASP  87 -12.691 -11.743  -5.999
  674    H    ASP  88           HN       ASP  88  -9.325  -9.694  -5.747
  675    HA   ASP  88           HA       ASP  88 -11.035  -7.374  -6.274
  676    HB2  ASP  88           HB2      ASP  88  -8.728  -7.811  -4.362
  677    HB3  ASP  88           HB1      ASP  88  -9.497  -6.247  -4.604
  678    H    ARG  89           HN       ARG  89  -8.907  -8.872  -7.998
  679    HA   ARG  89           HA       ARG  89  -7.450  -6.452  -8.823
  680    HB2  ARG  89           HB2      ARG  89  -6.007  -8.152  -7.733
  681    HB3  ARG  89           HB1      ARG  89  -6.463  -9.301  -8.983
  682    HG2  ARG  89           HG2      ARG  89  -5.535  -7.603 -10.641
  683    HG3  ARG  89           HG1      ARG  89  -4.811  -6.813  -9.239
  684    HD2  ARG  89           HD2      ARG  89  -4.333  -9.631 -10.195
  685    HD3  ARG  89           HD1      ARG  89  -3.185  -8.295 -10.201
  686    HE   ARG  89           HE       ARG  89  -4.237  -9.087  -7.609
  687   HH11  ARG  89          HH11      ARG  89  -1.631  -9.317  -9.961
  688   HH12  ARG  89          HH12      ARG  89  -0.421  -9.852  -8.736
  689   HH21  ARG  89          HH21      ARG  89  -2.738  -9.773  -6.024
  690   HH22  ARG  89          HH22      ARG  89  -1.027 -10.107  -6.537
  691    H    SER  90           HN       SER  90  -8.432  -9.674 -10.036
  692    HA   SER  90           HA       SER  90  -8.736  -8.438 -12.687
  693    HB2  SER  90           HB2      SER  90  -8.780 -11.332 -12.697
  694    HB3  SER  90           HB1      SER  90  -7.684 -10.229 -13.529
  695    HG   SER  90           HG       SER  90  -6.233 -10.619 -12.059
  696    H    LYS  91           HN       LYS  91 -10.735  -8.847 -10.286
  697    HA   LYS  91           HA       LYS  91 -12.885  -9.881 -12.012
  698    HB2  LYS  91           HB2      LYS  91 -12.421 -10.453  -9.091
  699    HB3  LYS  91           HB1      LYS  91 -13.992 -10.671  -9.845
  700    HG2  LYS  91           HG2      LYS  91 -12.940 -12.247 -11.446
  701    HG3  LYS  91           HG1      LYS  91 -11.433 -12.091 -10.541
  702    HD2  LYS  91           HD2      LYS  91 -12.529 -12.941  -8.538
  703    HD3  LYS  91           HD1      LYS  91 -14.059 -13.050  -9.407
  704    HE2  LYS  91           HE2      LYS  91 -11.562 -14.529 -10.208
  705    HE3  LYS  91           HE1      LYS  91 -12.821 -15.214  -9.181
  706    HZ1  LYS  91           HZ1      LYS  91 -13.223 -15.909 -11.402
  707    HZ2  LYS  91           HZ2      LYS  91 -13.087 -14.337 -12.002
  708    HZ3  LYS  91           HZ3      LYS  91 -14.403 -14.758 -11.029
  709    H    LEU  92           HN       LEU  92 -12.617  -8.285  -8.833
  710    HA   LEU  92           HA       LEU  92 -13.574  -6.422  -7.964
  711    HB2  LEU  92           HB2      LEU  92 -13.630  -5.736 -10.878
  712    HB3  LEU  92           HB1      LEU  92 -14.482  -4.713  -9.741
  713    HG   LEU  92           HG       LEU  92 -12.400  -3.680 -10.065
  714   HD11  LEU  92          HD11      LEU  92 -11.404  -3.666  -7.916
  715   HD12  LEU  92          HD12      LEU  92 -11.973  -5.298  -7.566
  716   HD13  LEU  92          HD13      LEU  92 -13.126  -3.966  -7.684
  717   HD21  LEU  92          HD21      LEU  92 -11.075  -6.350  -9.608
  718   HD22  LEU  92          HD22      LEU  92 -10.257  -4.817  -9.914
  719   HD23  LEU  92          HD23      LEU  92 -11.267  -5.543 -11.164
  720    H    SER  93           HN       SER  93 -15.098  -8.843  -8.662
  721    HA   SER  93           HA       SER  93 -17.778  -7.850  -9.179
  722    HB2  SER  93           HB2      SER  93 -17.172 -10.694  -8.474
  723    HB3  SER  93           HB1      SER  93 -18.360 -10.053  -9.608
  724    HG   SER  93           HG       SER  93 -16.909 -10.068 -11.141
  725    H    LYS  94           HN       LYS  94 -16.914  -6.732  -6.872
  726    HA   LYS  94           HA       LYS  94 -18.435  -8.200  -4.831
  727    HB2  LYS  94           HB2      LYS  94 -15.740  -6.898  -4.581
  728    HB3  LYS  94           HB1      LYS  94 -16.785  -7.065  -3.176
  729    HG2  LYS  94           HG2      LYS  94 -16.694  -9.396  -3.230
  730    HG3  LYS  94           HG1      LYS  94 -16.104  -9.425  -4.891
  731    HD2  LYS  94           HD2      LYS  94 -14.299  -9.985  -3.401
  732    HD3  LYS  94           HD1      LYS  94 -13.987  -8.403  -4.111
  733    HE2  LYS  94           HE2      LYS  94 -14.904  -7.358  -2.045
  734    HE3  LYS  94           HE1      LYS  94 -15.040  -8.969  -1.340
  735    HZ1  LYS  94           HZ1      LYS  94 -12.681  -9.229  -1.471
  736    HZ2  LYS  94           HZ2      LYS  94 -12.997  -7.762  -0.687
  737    HZ3  LYS  94           HZ3      LYS  94 -12.498  -7.773  -2.316
  738    HA   PRO  95           HA       PRO  95 -20.634  -4.351  -4.624
  739    HB2  PRO  95           HB2      PRO  95 -22.088  -4.845  -2.395
  740    HB3  PRO  95           HB1      PRO  95 -22.441  -5.619  -3.946
  741    HG2  PRO  95           HG2      PRO  95 -20.973  -6.711  -1.592
  742    HG3  PRO  95           HG1      PRO  95 -22.159  -7.507  -2.645
  743    HD2  PRO  95           HD2      PRO  95 -19.481  -7.877  -2.890
  744    HD3  PRO  95           HD1      PRO  95 -20.604  -7.982  -4.260
  745    H    MET  96           HN       MET  96 -20.685  -2.418  -3.392
  746    HA   MET  96           HA       MET  96 -18.708  -2.337  -1.213
  747    HB2  MET  96           HB2      MET  96 -18.017  -1.148  -3.284
  748    HB3  MET  96           HB1      MET  96 -19.428  -0.113  -3.127
  749    HG2  MET  96           HG2      MET  96 -18.597   0.740  -1.019
  750    HG3  MET  96           HG1      MET  96 -17.201  -0.333  -1.119
  751    HE1  MET  96           HE1      MET  96 -19.056   2.727  -2.617
  752    HE2  MET  96           HE2      MET  96 -18.898   1.740  -4.070
  753    HE3  MET  96           HE3      MET  96 -17.991   3.243  -3.924
  754    H    GLU  97           HN       GLU  97 -21.255  -0.151  -2.405
  755    HA   GLU  97           HA       GLU  97 -22.982   0.906  -1.386
  756    HB2  GLU  97           HB2      GLU  97 -23.774  -1.300  -0.757
  757    HB3  GLU  97           HB1      GLU  97 -22.686  -1.338   0.622
  758    HG2  GLU  97           HG2      GLU  97 -23.939   0.657   1.514
  759    HG3  GLU  97           HG1      GLU  97 -25.125   0.367   0.241
  760    H    THR  98           HN       THR  98 -22.762   2.858  -0.467
  761    HA   THR  98           HA       THR  98 -21.692   3.177   2.157
  762    HB   THR  98           HB       THR  98 -19.597   2.910   0.819
  763    HG1  THR  98           HG1      THR  98 -18.613   4.808   1.743
  764   HG21  THR  98          HG21      THR  98 -20.426   5.547  -0.404
  765   HG22  THR  98          HG22      THR  98 -20.347   3.999  -1.248
  766   HG23  THR  98          HG23      THR  98 -18.873   4.743  -0.628
  767    H    LEU  99           HN       LEU  99 -21.347   5.610   2.623
  768    HA   LEU  99           HA       LEU  99 -22.334   7.620   2.945
  769    HB2  LEU  99           HB2      LEU  99 -22.665   7.370  -0.038
  770    HB3  LEU  99           HB1      LEU  99 -23.070   8.827   0.848
  771    HG   LEU  99           HG       LEU  99 -20.329   7.580   0.610
  772   HD11  LEU  99          HD11      LEU  99 -21.073   8.719  -1.408
  773   HD12  LEU  99          HD12      LEU  99 -19.781   9.618  -0.612
  774   HD13  LEU  99          HD13      LEU  99 -21.453  10.160  -0.465
  775   HD21  LEU  99          HD21      LEU  99 -20.454   8.518   2.784
  776   HD22  LEU  99          HD22      LEU  99 -21.309   9.944   2.194
  777   HD23  LEU  99          HD23      LEU  99 -19.615   9.695   1.773
  778    H    ILE 100           HN       ILE 100 -23.947   5.545   3.648
  779    HA   ILE 100           HA       ILE 100 -26.577   5.984   2.522
  780    HB   ILE 100           HB       ILE 100 -27.340   4.289   4.166
  781   HG12  ILE 100          HG12      ILE 100 -24.408   4.024   4.858
  782   HG13  ILE 100          HG11      ILE 100 -25.598   4.809   5.891
  783   HG21  ILE 100          HG21      ILE 100 -24.971   3.503   2.478
  784   HG22  ILE 100          HG22      ILE 100 -26.646   3.612   1.946
  785   HG23  ILE 100          HG23      ILE 100 -26.176   2.391   3.126
  786   HD11  ILE 100          HD11      ILE 100 -25.296   2.631   6.733
  787   HD12  ILE 100          HD12      ILE 100 -25.432   1.913   5.126
  788   HD13  ILE 100          HD13      ILE 100 -26.849   2.626   5.899
  789    H    THR 101           HN       THR 101 -24.750   6.946   5.325
  790    HA   THR 101           HA       THR 101 -27.134   8.162   6.526
  791    HB   THR 101           HB       THR 101 -25.124   8.525   8.348
  792    HG1  THR 101           HG1      THR 101 -24.246   6.213   8.309
  793   HG21  THR 101          HG21      THR 101 -26.088   6.585   9.527
  794   HG22  THR 101          HG22      THR 101 -26.925   6.116   8.047
  795   HG23  THR 101          HG23      THR 101 -27.335   7.633   8.850
  796    H    THR 102           HN       THR 102 -27.103  10.347   7.192
  797    HA   THR 102           HA       THR 102 -25.500  12.068   5.516
  798    HB   THR 102           HB       THR 102 -26.877  13.755   7.153
  799    HG1  THR 102           HG1      THR 102 -28.759  12.826   7.771
  800   HG21  THR 102          HG21      THR 102 -26.903  13.761   4.696
  801   HG22  THR 102          HG22      THR 102 -28.531  13.908   5.357
  802   HG23  THR 102          HG23      THR 102 -27.980  12.363   4.704
  803    H    VAL 103           HN       VAL 103 -23.434  12.220   6.185
  804    HA   VAL 103           HA       VAL 103 -22.844  12.569   9.021
  805    HB   VAL 103           HB       VAL 103 -20.448  12.469   8.260
  806   HG11  VAL 103          HG11      VAL 103 -22.213  10.131   7.560
  807   HG12  VAL 103          HG12      VAL 103 -21.589  10.526   9.161
  808   HG13  VAL 103          HG13      VAL 103 -20.480  10.054   7.873
  809   HG21  VAL 103          HG21      VAL 103 -19.976  11.622   6.025
  810   HG22  VAL 103          HG22      VAL 103 -20.797  13.181   5.941
  811   HG23  VAL 103          HG23      VAL 103 -21.693  11.696   5.619
  812    H    ASP 104           HN       ASP 104 -24.054  14.629   7.125
  813    HA   ASP 104           HA       ASP 104 -22.244  16.808   7.864
  814    HB2  ASP 104           HB2      ASP 104 -22.247  17.781   5.763
  815    HB3  ASP 104           HB1      ASP 104 -22.244  16.075   5.331
  816    HHB  HEM 400           HB       HEM 400  11.107   4.786  -1.569
  817    HHC  HEM 400           HC       HEM 400   4.870   5.143  -2.581
  818    HHD  HEM 400           HD       HEM 400   5.559  11.061  -4.699
  819    HMA  HEM 400          HMA1      HEM 400  13.502   5.176  -2.451
  820   HMAA  HEM 400          HMA2      HEM 400  13.290   5.856  -0.839
  821   HMAB  HEM 400          HMA3      HEM 400  14.440   6.585  -1.955
  822    HAA  HEM 400          HAA1      HEM 400  14.391   9.029  -2.234
  823   HAAA  HEM 400          HAA2      HEM 400  13.665   9.912  -3.568
  824    HBA  HEM 400          HBA1      HEM 400  14.147   7.570  -4.810
  825   HBAA  HEM 400          HBA2      HEM 400  15.442   7.537  -3.613
  826    HMB  HEM 400          HMB1      HEM 400   9.553   2.138  -1.736
  827   HMBA  HEM 400          HMB2      HEM 400   8.650   2.360  -0.233
  828   HMBB  HEM 400          HMB3      HEM 400  10.180   3.203  -0.492
  829    HAB  HEM 400           HAB      HEM 400   6.477   2.014  -1.699
  830    HBB  HEM 400          HBB1      HEM 400   4.559   4.328  -0.841
  831   HBBA  HEM 400          HBB2      HEM 400   4.214   2.439  -0.906
  832    HMC  HEM 400          HMC1      HEM 400   2.059   7.296  -3.935
  833   HMCA  HEM 400          HMC2      HEM 400   2.588   6.693  -2.360
  834   HMCB  HEM 400          HMC3      HEM 400   2.965   5.796  -3.835
  835    HAC  HEM 400           HAC      HEM 400   3.243  10.212  -5.268
  836    HBC  HEM 400          HBC1      HEM 400   2.027   9.532  -2.469
  837   HBCA  HEM 400          HBC2      HEM 400   1.357  10.728  -3.814
  838    HMD  HEM 400          HMD1      HEM 400   6.687  13.344  -4.519
  839   HMDA  HEM 400          HMD2      HEM 400   6.833  12.750  -6.177
  840   HMDB  HEM 400          HMD3      HEM 400   8.065  13.816  -5.495
  841    HAD  HEM 400          HAD1      HEM 400  10.157  13.707  -4.637
  842   HADA  HEM 400          HAD2      HEM 400  11.423  12.497  -4.536
  843    HBD  HEM 400          HBD1      HEM 400   9.751  12.755  -7.024
  844   HBDA  HEM 400          HBD2      HEM 400  11.362  12.057  -6.841
  845    HHA  HEM 400           HA       HEM 400  11.831  10.578  -4.019