*HEADER    STRUCTURAL GENOMICS, UNKNOWN FUNCTION   29-JUN-07   2JS4              
*TITLE     SOLUTION NMR STRUCTURE OF BORDETELLA BRONCHISEPTICA PROTEIN           
*TITLE    2 BB2007. NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET              
*TITLE    3 BOR54                                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: UPF0434 PROTEIN BB2007;                                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BORDETELLA BRONCHISEPTICA;                      
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 STRAIN: RB50, NCTC 13252;                                            
*SOURCE   5 ATCC: BAA-588;                                                       
*SOURCE   6 GENE: BB2007;                                                        
*SOURCE   7 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   8 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   9 EXPRESSION_SYSTEM_STRAIN: XL10;                                      
*SOURCE  10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  11 EXPRESSION_SYSTEM_PLASMID: PET21                                     
*KEYWDS    NESG, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM, BETA, PSI-2,          
*KEYWDS   2 PROTEIN STRUCTURE INITIATIVE                                         
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    A.ELETSKY, D.SUKUMARAN, Y.WU, K.SINGARAPU, D.PARISH, D.XU,            
*AUTHOR   2 D.WANG, C.NWOSU, K.CUNNINGHAM, R.XIAO, J.LIU, M.C.BARAN,             
*AUTHOR   3 G.V.T.SWAPNA, T.B.ACTON, B.ROST, G.T.MONTELIONE,                     
*AUTHOR   4 T.SZYPERSKI, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG)         
*REVDAT   1   10-JUL-07 2JS4    0                                                


 13 VAL  HB     14 CYS  H       2.87            #peak     6
 14 CYS  H      14 CYS  HB2     4.01            #peak     8
 14 CYS  H      14 CYS  HB3     4.01            #peak     9
 28 VAL  HB     29 CYS  H       4.66            #peak    10
 29 CYS  H      29 CYS  HB3     4.07            #peak    11
 29 CYS  H      29 CYS  HB2     4.07            #peak    12
 24 GLN  HB2    25 ALA  H       4.51            #peak    35
 24 GLN  HB3    25 ALA  H       4.51            #peak    38
 54 ASP  HB3    55 ALA  H       4.26            #peak    51
 20 PHE  H      20 PHE  HB3     3.55            #peak    56
 19 GLU  HA     20 PHE  H       2.83            #peak    58
 17 ARG  HA     18 LEU  H       2.99            #peak   267
 17 ARG  HB     18 LEU  H       5.98            #peak    72
 56 GLU  HB3    57 ALA  H       4.35            #peak    82
 56 GLU  HA     57 ALA  H       2.87            #peak    84
 56 GLU  HB2    57 ALA  H       4.35            #peak    85
 15 LYS  HB3    16 GLY  H       4.88            #peak    94
 15 LYS  HB2    16 GLY  H       4.88            #peak    95
 43 PRO  HA     44 ILE  H       3.33            #peak    97
 44 ILE  H      44 ILE  HB      3.89            #peak   102
  9 LEU  HB3    10 VAL  H       3.92            #peak   112
 22 ARG  HB     23 ALA  H       5.11            #peak   125
 36 PHE  H      36 PHE  HB2     3.76            #peak   134
 40 ASP  HB3    41 GLY  H       5.50            #peak   138
 40 ASP  HB2    41 GLY  H       5.50            #peak   140
 49 GLU  HB3    50 ALA  H       4.42            #peak   145
 33 ARG  HB2    34 LEU  H       4.82            #peak   148
 33 ARG  HB3    34 LEU  H       4.57            #peak   151
 33 ARG  HA     34 LEU  H       2.87            #peak   700
  3 SER  HB      4 ARG  H       5.95            #peak   155
 52 SER  HA     53 LEU  H       2.83            #peak   161
 46 LEU  HA     47 GLU  H       3.27            #peak   167
 25 ALA  HA     26 GLU  H       3.36            #peak   180
 17 ARG  H      17 ARG  HB      4.09            #peak   188
 29 CYS  HB3    30 ASN  H       4.76            #peak   190
 29 CYS  HA     30 ASN  H       2.83            #peak   191
 29 CYS  HB2    30 ASN  H       4.76            #peak   192
 50 ALA  HA     51 ARG  H       2.96            #peak   197
 54 ASP  H      54 ASP  HB2     3.55            #peak   202
 21 GLN  H      21 GLN  HB2     2.96            #peak   310
 20 PHE  HB3    21 GLN  H       4.88            #peak   207
 20 PHE  HB2    21 GLN  H       4.88            #peak   209
 15 LYS  H      15 LYS  HA      2.59            #peak   557
 51 ARG  HB     52 SER  H       5.11            #peak   226
 51 ARG  HA     52 SER  H       2.90            #peak   227
 26 GLU  HA     27 LEU  H       3.11            #peak   228
 11 CYS  H      11 CYS  HB2     3.42            #peak   238
 10 VAL  HB     11 CYS  H       3.36            #peak   239
 10 VAL  HA     11 CYS  H       3.14            #peak   240
 11 CYS  H      11 CYS  HB3     3.42            #peak   241
 37 PRO  HA     38 VAL  H       2.93            #peak   251
 27 LEU  HB3    28 VAL  H       4.91            #peak   253
 18 LEU  HA     19 GLU  H       3.02            #peak   262
 18 LEU  HB2    19 GLU  H       4.20            #peak   266
 19 GLU  H      19 GLU  HB2     3.61            #peak   267
 21 GLN  HB2    22 ARG  H       4.69            #peak   269
 21 GLN  HA     22 ARG  H       2.99            #peak   273
 32 ASP  HB2    33 ARG  H       3.98            #peak   280
 33 ARG  H      33 ARG  HB2     4.07            #peak   282
 32 ASP  HB3    33 ARG  H       4.26            #peak   285
 38 VAL  HB     39 ARG  H       4.45            #peak   291
 63 LEU  HA     64 GLU  H       3.30            #peak   296
 58 PRO  HB3    59 ALA  H       4.38            #peak   297
 58 PRO  HB2    59 ALA  H       4.38            #peak   299
  7 ASP  H       8 ILE  H       3.98            #peak   305
 11 CYS  H      15 LYS  HA      4.48            #peak   309
 11 CYS  H      15 LYS  H       4.85            #peak   311
 11 CYS  HA     13 VAL  H       4.48            #peak   314
 13 VAL  H      14 CYS  H       2.99            #peak   316
 15 LYS  H      16 GLY  H       3.36            #peak   328
 19 GLU  H      28 VAL  H       3.83            #peak   333
 21 GLN  H      26 GLU  H       4.14            #peak   358
 24 GLN  H      25 ALA  H       3.27            #peak   348
 23 ALA  H      24 GLN  H       3.92            #peak   344
 22 ARG  HA     25 ALA  H       4.32            #peak   352
 25 ALA  H      26 GLU  H       3.42            #peak   357
 27 LEU  H      37 PRO  HA      4.85            #peak   363
 29 CYS  H      34 LEU  H       3.76            #peak   409
 30 ASN  H      31 ALA  H       3.36            #peak   375
 31 ALA  H      33 ARG  H       4.01            #peak   398
 29 CYS  HB2    32 ASP  H       4.91            #peak   387
 29 CYS  HB3    32 ASP  H       4.91            #peak   388
 32 ASP  H      33 ARG  HA      4.82            #peak   389
 32 ASP  H      33 ARG  H       3.05            #peak   399
 31 ALA  H      32 ASP  H       3.42            #peak   391
 31 ALA  HA     33 ARG  H       4.60            #peak   395
 30 ASN  HA     33 ARG  H       3.86            #peak   396
 33 ARG  H      34 LEU  H       3.27            #peak   397
 32 ASP  HB2    34 LEU  H       4.20            #peak   400
 32 ASP  HB3    34 LEU  H       4.72            #peak   401
 30 ASN  HA     34 LEU  H       4.97            #peak   404
 34 LEU  H      35 ALA  H       4.79            #peak   407
 32 ASP  H      34 LEU  H       4.69            #peak   408
 28 VAL  HA     36 PHE  H       4.38            #peak   417
 27 LEU  H      36 PHE  H       4.01            #peak   365
 38 VAL  H      39 ARG  H       4.69            #peak   430
 39 ARG  H      42 VAL  HB      4.45            #peak   427
 39 ARG  H      43 PRO  HA      4.26            #peak   428
 39 ARG  H      42 VAL  H       3.76            #peak   429
 40 ASP  H      41 GLY  H       4.79            #peak   431
 41 GLY  H      42 VAL  H       3.98            #peak   436
 38 VAL  HA     44 ILE  H       4.42            #peak   438
 45 MET  H      46 LEU  H       4.07            #peak   442
 47 GLU  H      48 ALA  H       3.98            #peak   452
 48 ALA  H      49 GLU  H       3.83            #peak   450
 48 ALA  HA     50 ALA  H       4.88            #peak   457
 33 ARG  HA     53 LEU  H       4.79            #peak   465
 34 LEU  HA     53 LEU  H       3.76            #peak   466
 52 SER  HB3    55 ALA  H       4.32            #peak   472
 53 LEU  HA     55 ALA  H       4.45            #peak   473
 54 ASP  H      55 ALA  H       3.36            #peak   475
 55 ALA  H      56 GLU  H       3.89            #peak   480
 11 CYS  H      16 GLY  H       4.04            #peak   329
 21 GLN  H      28 VAL  H       5.00            #peak   485
 22 ARG  H      23 ALA  H       4.26            #peak   345
 24 GLN  HB2    24 GLN  HE22    5.22            #peak    19
 24 GLN  HB3    24 GLN  HE22    5.22            #peak    21
 45 MET  H      45 MET  HG2     3.70            #peak    23
 45 MET  H      45 MET  HG3     3.70            #peak    25
 21 GLN  HB3    21 GLN  HE22    4.57            #peak    40
 30 ASN  H      30 ASN  HD22    5.47            #peak    44
 20 PHE  H      20 PHE  HD      7.63            #peak    57
 18 LEU  H      18 LEU  HG      4.17            #peak   569
  8 ILE  H       8 ILE  HG12    3.76            #peak     1
 44 ILE  H      44 ILE  HG13    4.20            #peak   651
 36 PHE  H      36 PHE  HD      4.75            #peak     7
  4 ARG  H       4 ARG  HG      5.55            #peak   154
 60 GLN  H      60 GLN  HG      5.67            #peak   172
 56 GLU  H      56 GLU  HG      5.17            #peak   176
 26 GLU  H      26 GLU  HG3     4.26            #peak   179
 26 GLU  H      26 GLU  HG2     4.26            #peak   181
 17 ARG  H      17 ARG  HD      6.38            #peak   186
 21 GLN  H      21 GLN  HG2     4.45            #peak   208
 21 GLN  HB3    21 GLN  HE21    4.57            #peak   234
 30 ASN  H      30 ASN  HD21    4.54            #peak   243
 30 ASN  HA     30 ASN  HD21    5.16            #peak   245
 22 ARG  H      22 ARG  HG2     4.54            #peak   271
 13 VAL  H      36 PHE  HE      7.54            #peak   315
 10 VAL  HB     16 GLY  H       4.57            #peak   324
 19 GLU  H      27 LEU  HB2     4.91            #peak   332
 20 PHE  HD     26 GLU  H       6.64            #peak   356
 26 GLU  HG2    27 LEU  H       5.31            #peak   360
 26 GLU  HG3    27 LEU  H       5.31            #peak   361
 27 LEU  H      36 PHE  HB2     4.57            #peak   362
 18 LEU  HB3    28 VAL  H       4.97            #peak   367
 19 GLU  HB2    30 ASN  HD22    4.85            #peak   380
 19 GLU  HB3    30 ASN  HD22    4.85            #peak   381
 34 LEU  HG     35 ALA  H       4.69            #peak   412
 35 ALA  H      51 ARG  HB      6.38            #peak   413
 39 ARG  H      44 ILE  HG13    5.31            #peak   426
 47 GLU  HG     48 ALA  H       6.07            #peak   449
 33 ARG  HB3    53 LEU  H       3.67            #peak   463
 33 ARG  HB2    53 LEU  H       4.45            #peak   464
 56 GLU  HG     57 ALA  H       6.29            #peak   481
 42 VAL  H      42 VAL  HG      5.40            #peak   398
 25 ALA  H      25 ALA  HB      4.01            #peak   608
 18 LEU  H      18 LEU  HD2     6.52            #peak    66
 18 LEU  H      18 LEU  HD1     5.81            #peak   536
 57 ALA  H      57 ALA  HB      3.73            #peak    83
 63 LEU  H      63 LEU  HD1     6.46            #peak   106
 31 ALA  H      31 ALA  HB      3.42            #peak   127
 35 ALA  HB     36 PHE  H       4.72            #peak    45
  6 LEU  H       6 LEU  HD1     5.84            #peak   183
 35 ALA  H      35 ALA  HB      3.82            #peak    46
 38 VAL  H      38 VAL  HG1     5.22            #peak   248
 28 VAL  H      28 VAL  HG2     3.95            #peak   602
 11 CYS  H      18 LEU  HD2     5.28            #peak   307
 10 VAL  HG1    17 ARG  H       6.33            #peak   330
 21 GLN  HE21   28 VAL  HG2     5.59            #peak   340
 21 GLN  HE22   28 VAL  HG2     5.59            #peak   936
 27 LEU  H      35 ALA  HB      6.08            #peak   359
 28 VAL  HG1    29 CYS  H       4.10            #peak   369
 30 ASN  H      31 ALA  HB      6.08            #peak   374
 28 VAL  HG1    30 ASN  HD21    5.71            #peak   376
 28 VAL  HG1    30 ASN  HD22    5.12            #peak   379
 32 ASP  H      34 LEU  HD1     6.02            #peak   386
 35 ALA  H      50 ALA  HB      5.00            #peak   411
 27 LEU  HD1    36 PHE  H       5.96            #peak   414
 25 ALA  HB     38 VAL  H       5.06            #peak   419
 38 VAL  HG1    39 ARG  H       4.57            #peak   423
 39 ARG  H      42 VAL  HG      7.48            #peak   425
 38 VAL  HG1    41 GLY  H       4.60            #peak  1009
 44 ILE  HD1    45 MET  H       5.31            #peak   439
 44 ILE  HG2    45 MET  H       4.38            #peak   440
 34 LEU  HD2    51 ARG  H       5.68            #peak   458
 47 GLU  HB2    48 ALA  H       5.50            #peak    15
 32 ASP  H      32 ASP  HB2     3.33            #peak   115
  9 LEU  HB2    10 VAL  H       4.57            #peak   109
 28 VAL  H      28 VAL  HB      3.30            #peak   252
 34 LEU  H      34 LEU  HB2     3.33            #peak   147
 19 GLU  HB3    20 PHE  H       4.42            #peak    54
 19 GLU  H      19 GLU  HB3     3.61            #peak   263
 21 GLN  H      21 GLN  HB3     3.55            #peak   126
 21 GLN  HB3    22 ARG  H       3.98            #peak   127
 35 ALA  HA     36 PHE  H       3.14            #peak   133
 18 LEU  HB3    19 GLU  H       3.73            #peak   264
 42 VAL  H      42 VAL  HB      3.42            #peak    15
 61 PRO  HA     62 SER  H       3.21            #peak   156
 10 VAL  H      10 VAL  HB      4.20            #peak   110
 58 PRO  HA     59 ALA  H       2.77            #peak   300
  7 ASP  HB      8 ILE  H       6.26            #peak    87
 47 GLU  HB3    48 ALA  H       5.50            #peak   194
 20 PHE  HA     21 GLN  H       2.80            #peak   244
 34 LEU  HB3    35 ALA  H       5.50            #peak   257
 45 MET  HA     46 LEU  H       3.48            #peak    74
 13 VAL  HA     13 VAL  HB      3.02            #peak   288
 26 GLU  HB2    27 LEU  H       5.50            #peak   306
 38 VAL  HA     39 ARG  H       3.02            #peak   289
  9 LEU  HA     10 VAL  H       3.02            #peak   113
 16 GLY  HA3    17 ARG  H       3.24            #peak   187
 34 LEU  HA     35 ALA  H       3.08            #peak   213
 26 GLU  HB3    27 LEU  H       5.50            #peak   403
 52 SER  HA     52 SER  HB3     2.90            #peak   441
 52 SER  H      52 SER  HB3     2.83            #peak   442
 54 ASP  H      54 ASP  HB3     3.55            #peak   201
 33 ARG  HA     33 ARG  HB3     2.83            #peak   701
 52 SER  HB2    53 LEU  H       3.52            #peak   565
 52 SER  HA     52 SER  HB2     2.80            #peak   566
 52 SER  H      52 SER  HB2     2.87            #peak   567
 45 MET  H      45 MET  HB3     3.76            #peak    26
 30 ASN  HB     31 ALA  H       4.68            #peak   129
 44 ILE  HA     45 MET  H       2.65            #peak   593
 20 PHE  H      20 PHE  HB2     3.55            #peak    59
 44 ILE  HB     45 MET  H       5.50            #peak   621
 32 ASP  H      32 ASP  HB3     3.86            #peak   119
 16 GLY  HA2    17 ARG  H       3.14            #peak   189
 19 GLU  HB2    20 PHE  H       4.42            #peak    60
 33 ARG  H      33 ARG  HA      2.56            #peak   702
 30 ASN  HA     31 ALA  H       3.55            #peak   728
 27 LEU  HA     28 VAL  H       3.08            #peak   257
 54 ASP  HB2    55 ALA  H       4.26            #peak    53
 45 MET  H      45 MET  HB2     3.76            #peak    28
 62 SER  HA     63 LEU  H       3.05            #peak   108
 21 GLN  HA     21 GLN  HB3     2.90            #peak   128
 26 GLU  HA     38 VAL  H       3.95            #peak   421
 27 LEU  HA     28 VAL  HB      5.50            #peak   928
 29 CYS  HA     30 ASN  HB      6.38            #peak   946
 28 VAL  HA     35 ALA  HA      5.50            #peak   981
 29 CYS  H      35 ALA  HA      4.23            #peak   371
 46 LEU  HB2    48 ALA  H       5.50            #peak  1062
 46 LEU  HB3    48 ALA  H       5.50            #peak  1066
 36 PHE  HA     50 ALA  HA      5.50            #peak  1091
 38 VAL  HA     43 PRO  HA      3.14            #peak  1156
 47 GLU  HA     50 ALA  H       3.67            #peak  1169
 46 LEU  HA     46 LEU  HG      3.42            #peak    13
 46 LEU  H      46 LEU  HG      3.64            #peak    14
 53 LEU  H      53 LEU  HG      3.02            #peak    32
 53 LEU  HA     53 LEU  HG      3.73            #peak    33
 39 ARG  H      39 ARG  HG      5.92            #peak    61
 51 ARG  H      51 ARG  HG      5.33            #peak    73
 17 ARG  H      17 ARG  HG      5.27            #peak    83
 11 CYS  HA     12 PRO  HD2     2.80            #peak    99
 11 CYS  HA     12 PRO  HD3     2.80            #peak   101
 49 GLU  H      49 GLU  HG2     5.50            #peak   104
 36 PHE  HB3    37 PRO  HD3     5.50            #peak   108
 63 LEU  H      63 LEU  HG      4.35            #peak   151
 33 ARG  H      33 ARG  HD3     5.50            #peak   169
 22 ARG  H      22 ARG  HG3     4.54            #peak   171
 33 ARG  H      33 ARG  HG3     4.14            #peak   200
 21 GLN  H      21 GLN  HG3     4.45            #peak   204
 42 VAL  HB     43 PRO  HD2     5.50            #peak   226
 42 VAL  HA     43 PRO  HD2     3.45            #peak   431
 20 PHE  HA     20 PHE  HD      4.71            #peak     2
 17 ARG  HA     17 ARG  HD      6.13            #peak   268
 44 ILE  H      44 ILE  HG12    3.95            #peak   343
 15 LYS  HA     15 LYS  HD3     4.23            #peak   554
 15 LYS  H      15 LYS  HD3     5.50            #peak   358
 15 LYS  H      15 LYS  HG3     4.20            #peak   379
 42 VAL  HA     43 PRO  HD3     3.27            #peak   429
 34 LEU  H      34 LEU  HG      3.55            #peak   150
 33 ARG  H      33 ARG  HD2     5.50            #peak   462
 33 ARG  HA     33 ARG  HG2     3.64            #peak   479
 33 ARG  H      33 ARG  HG2     4.14            #peak   480
  8 ILE  H       8 ILE  HG13    3.76            #peak   506
 15 LYS  HA     15 LYS  HG3     4.11            #peak   378
 15 LYS  HA     15 LYS  HG2     4.11            #peak   559
 18 LEU  HA     18 LEU  HG      4.11            #peak   568
  6 LEU  HA      6 LEU  HG      3.76            #peak   588
 49 GLU  H      49 GLU  HG3     5.50            #peak   627
 15 LYS  HB3    15 LYS  HE      6.38            #peak   631
 15 LYS  HB2    15 LYS  HE      6.38            #peak   632
 47 GLU  H      47 GLU  HG      6.38            #peak   657
 27 LEU  H      27 LEU  HG      4.45            #peak   660
 27 LEU  HA     27 LEU  HG      4.14            #peak   661
 15 LYS  HA     15 LYS  HD2     4.23            #peak  1144
 15 LYS  H      15 LYS  HD2     5.50            #peak   665
 15 LYS  H      15 LYS  HG2     4.20            #peak   221
 33 ARG  HA     33 ARG  HG3     3.64            #peak   698
 24 GLN  H      24 GLN  HG      6.38            #peak   716
 36 PHE  HB3    37 PRO  HD2     5.50            #peak   734
  3 SER  HB      4 ARG  HG      7.26            #peak   796
 10 VAL  HB     15 LYS  HA      3.24            #peak  1145
 11 CYS  HB2    18 LEU  HG      5.50            #peak   825
 12 PRO  HG     13 VAL  H       4.93            #peak   312
 12 PRO  HA     15 LYS  HE      6.38            #peak   860
 11 CYS  H      18 LEU  HG      4.01            #peak   308
 10 VAL  HA     18 LEU  HG      3.83            #peak   864
 21 GLN  HB2    26 GLU  H       4.14            #peak   887
 20 PHE  HD     22 ARG  HA      6.17            #peak    39
 20 PHE  HD     22 ARG  HD      8.51            #peak   893
 20 PHE  HD     25 ALA  HA      5.71            #peak    40
 18 LEU  HB3    27 LEU  HB2     5.50            #peak   910
 27 LEU  HB3    36 PHE  HB2     5.50            #peak   912
 18 LEU  HB3    27 LEU  HB3     5.50            #peak   913
 20 PHE  HD     27 LEU  HG      7.10            #peak   915
 19 GLU  H      28 VAL  HB      5.50            #peak   929
 29 CYS  HB2    34 LEU  HB2     5.50            #peak   940
 29 CYS  HB3    34 LEU  HB2     5.50            #peak   943
 32 ASP  HB2    34 LEU  HG      4.04            #peak   967
 32 ASP  HB3    34 LEU  HG      3.52            #peak   968
 34 LEU  HB3    36 PHE  HE      7.63            #peak   963
 34 LEU  HB2    36 PHE  HE      7.63            #peak   966
 27 LEU  HB2    36 PHE  HB2     5.50            #peak   993
 27 LEU  HB3    36 PHE  HB3     5.50            #peak   996
 36 PHE  HB3    45 MET  HA      5.50            #peak   997
 36 PHE  HE     47 GLU  HG      8.51            #peak  1078
 51 ARG  HG     52 SER  H       4.86            #peak   462
 11 CYS  HB3    18 LEU  HG      5.50            #peak  1143
 17 ARG  HG     18 LEU  H       6.38            #peak  1150
 53 LEU  H      53 LEU  HD2     4.69            #peak    11
 53 LEU  HA     53 LEU  HD2     3.42            #peak    12
  8 ILE  HA      8 ILE  HD1     5.22            #peak    27
 18 LEU  HB3    18 LEU  HD2     3.91            #peak    36
 18 LEU  HD2    19 GLU  H       4.78            #peak   331
 38 VAL  HA     38 VAL  HG2     3.98            #peak    76
 38 VAL  H      38 VAL  HG2     4.16            #peak   246
 28 VAL  HA     28 VAL  HG1     3.85            #peak    80
 23 ALA  H      23 ALA  HB      3.79            #peak   123
 23 ALA  HB     24 GLN  H       4.35            #peak   275
 27 LEU  HA     27 LEU  HD2     3.91            #peak   111
 59 ALA  H      59 ALA  HB      3.67            #peak   298
 27 LEU  HB3    27 LEU  HD1     3.79            #peak   221
 27 LEU  H      27 LEU  HD1     5.46            #peak   222
 27 LEU  HA     27 LEU  HD1     4.94            #peak   224
 50 ALA  H      50 ALA  HB      3.82            #peak   144
 50 ALA  HB     51 ARG  H       4.07            #peak   196
  9 LEU  HA      9 LEU  HD1     5.34            #peak   247
 63 LEU  HA     63 LEU  HD1     5.62            #peak   262
 31 ALA  HB     32 ASP  H       3.85            #peak   280
 38 VAL  HA     38 VAL  HG1     4.04            #peak   325
 44 ILE  H      44 ILE  HG2     5.53            #peak   323
 10 VAL  HA     10 VAL  HG1     3.57            #peak   424
 10 VAL  H      10 VAL  HG1     4.72            #peak   425
 10 VAL  H      10 VAL  HG2     3.98            #peak   428
 13 VAL  H      13 VAL  HG2     3.76            #peak   438
 13 VAL  HA     13 VAL  HG2     3.42            #peak   439
  6 LEU  HA      6 LEU  HD1     5.03            #peak   496
 45 MET  HA     45 MET  HE      5.19            #peak   498
 53 LEU  HA     53 LEU  HD1     4.75            #peak   512
 46 LEU  HA     46 LEU  HD2     3.54            #peak   514
 46 LEU  H      46 LEU  HD2     5.81            #peak   515
 48 ALA  H      48 ALA  HB      3.45            #peak   519
 48 ALA  HB     49 GLU  H       4.60            #peak   520
  9 LEU  HB3     9 LEU  HD2     3.98            #peak   529
  9 LEU  HA      9 LEU  HD2     3.73            #peak   530
 18 LEU  HA     18 LEU  HD1     5.22            #peak   534
 44 ILE  HA     44 ILE  HG2     3.73            #peak   324
 28 VAL  HA     28 VAL  HG2     3.79            #peak   601
 25 ALA  HB     26 GLU  H       5.31            #peak   610
  6 LEU  HA      6 LEU  HD2     4.29            #peak   615
 44 ILE  HG2    44 ILE  HG13    4.07            #peak   652
 44 ILE  H      44 ILE  HD1     5.50            #peak   674
 44 ILE  HG2    44 ILE  HD1     4.69            #peak   675
 44 ILE  HA     44 ILE  HD1     3.82            #peak   677
 34 LEU  H      34 LEU  HD2     5.71            #peak   711
 34 LEU  HA     34 LEU  HD2     3.54            #peak   712
 13 VAL  H      13 VAL  HG1     4.81            #peak   718
 13 VAL  HA     13 VAL  HG1     3.42            #peak   719
 63 LEU  HA     63 LEU  HD2     4.19            #peak   710
 55 ALA  H      55 ALA  HB      3.48            #peak    52
 55 ALA  HB     56 GLU  H       4.22            #peak   761
 46 LEU  HA     46 LEU  HD1     6.52            #peak   782
 46 LEU  H      46 LEU  HD1     5.81            #peak   783
  7 ASP  HB      8 ILE  HG2     7.40            #peak   798
  9 LEU  HB3    18 LEU  HD1     6.52            #peak   801
  9 LEU  HB2    18 LEU  HD1     6.52            #peak   804
  9 LEU  HD2    10 VAL  H       5.53            #peak   805
 10 VAL  HG2    15 LYS  H       5.99            #peak   811
 10 VAL  HG2    11 CYS  H       5.65            #peak   812
  9 LEU  HA     10 VAL  HG2     4.78            #peak   813
 10 VAL  HG2    15 LYS  HA      4.10            #peak   814
 10 VAL  HG1    11 CYS  H       4.78            #peak   818
 10 VAL  HG1    15 LYS  HA      4.07            #peak   819
 11 CYS  HA     18 LEU  HD1     4.50            #peak   877
 11 CYS  HA     18 LEU  HD2     4.22            #peak   869
 12 PRO  HG     13 VAL  HG2     5.08            #peak   845
 13 VAL  HG2    36 PHE  HE      7.10            #peak   846
 13 VAL  HG2    14 CYS  H       4.81            #peak   847
 13 VAL  HG1    14 CYS  H       4.50            #peak   849
 10 VAL  HG2    15 LYS  HE      7.40            #peak   858
 10 VAL  HG1    17 ARG  HA      5.06            #peak   862
 18 LEU  HD2    36 PHE  HE      7.35            #peak   868
 18 LEU  HD1    36 PHE  HE      8.65            #peak   874
 10 VAL  HA     18 LEU  HD1     5.06            #peak   875
  9 LEU  HA     18 LEU  HD1     5.46            #peak   876
 18 LEU  HB3    18 LEU  HD1     4.07            #peak   881
 21 GLN  HB2    28 VAL  HG2     5.25            #peak   886
 21 GLN  HG2    28 VAL  HG2     6.52            #peak   889
 21 GLN  HG3    28 VAL  HG2     6.52            #peak   890
 23 ALA  HB     24 GLN  HG      6.63            #peak   894
 25 ALA  HB     38 VAL  HG2     7.26            #peak   897
 25 ALA  HB     38 VAL  HG1     7.54            #peak   898
 24 GLN  HA     25 ALA  HB      5.71            #peak   900
 20 PHE  HD     25 ALA  HB      8.65            #peak   901
 26 GLU  HB2    28 VAL  HG2     6.52            #peak   904
 26 GLU  HB2    35 ALA  HB      6.52            #peak   905
 26 GLU  HB3    35 ALA  HB      6.52            #peak   906
 26 GLU  HB3    28 VAL  HG2     6.52            #peak   907
 18 LEU  HD1    27 LEU  HB2     6.52            #peak   909
 18 LEU  HD1    27 LEU  HB3     6.52            #peak   914
 20 PHE  HD     27 LEU  HD2     7.19            #peak   916
 27 LEU  HD2    28 VAL  H       5.25            #peak   917
 20 PHE  H      27 LEU  HD2     4.91            #peak   334
 21 GLN  H      27 LEU  HD2     5.87            #peak   919
 20 PHE  HA     27 LEU  HD2     4.04            #peak   920
 18 LEU  HB3    27 LEU  HD2     4.41            #peak   923
 28 VAL  HG1    30 ASN  HB      7.21            #peak   930
 28 VAL  HG1    30 ASN  HA      4.63            #peak   931
 28 VAL  HG1    30 ASN  H       4.60            #peak   373
 21 GLN  H      28 VAL  HG2     5.50            #peak   937
 30 ASN  HA     53 LEU  HD1     5.00            #peak  1118
 31 ALA  HB     33 ARG  H       5.59            #peak   947
 32 ASP  HB3    34 LEU  HD1     4.32            #peak   975
 33 ARG  HA     53 LEU  HD1     4.07            #peak  1117
 34 LEU  HD2    47 GLU  HG      6.63            #peak   969
 34 LEU  HD2    52 SER  HA      3.88            #peak   971
 34 LEU  HD2    36 PHE  HE      8.46            #peak   972
 32 ASP  HB2    34 LEU  HD1     4.66            #peak   976
 34 LEU  HD1    36 PHE  HE      6.95            #peak   978
 28 VAL  HG2    35 ALA  HA      4.26            #peak   935
 28 VAL  HG1    35 ALA  HA      4.94            #peak   932
 35 ALA  HB     51 ARG  HG      5.32            #peak   984
 28 VAL  HA     35 ALA  HB      4.91            #peak   988
 35 ALA  HB     51 ARG  H       4.94            #peak   990
 27 LEU  HD1    36 PHE  HB3     6.52            #peak   995
 38 VAL  HG1    41 GLY  HA3     5.31            #peak  1006
 38 VAL  HG1    43 PRO  HA      4.94            #peak  1007
 38 VAL  HG1    42 VAL  H       4.97            #peak  1008
 27 LEU  HG     38 VAL  HG2     3.91            #peak  1011
 25 ALA  HA     38 VAL  HG2     5.87            #peak  1013
 37 PRO  HA     38 VAL  HG2     5.06            #peak  1014
 26 GLU  HA     38 VAL  HG2     4.16            #peak  1015
 20 PHE  HD     38 VAL  HG2     7.04            #peak  1016
 27 LEU  H      38 VAL  HG2     5.09            #peak  1017
 38 VAL  HG1    41 GLY  HA2     4.50            #peak  1004
 42 VAL  HG     43 PRO  HD2     5.58            #peak  1027
 41 GLY  HA3    42 VAL  HG      6.67            #peak  1028
 38 VAL  HG1    43 PRO  HD3     5.37            #peak  1005
 42 VAL  HG     43 PRO  HD3     7.60            #peak  1035
 44 ILE  HG2    49 GLU  HB3     3.91            #peak  1042
 44 ILE  HG2    45 MET  HA      5.46            #peak  1045
 44 ILE  HG2    46 LEU  H       4.44            #peak  1046
 39 ARG  H      44 ILE  HD1     5.65            #peak  1052
 18 LEU  HD1    45 MET  HE      6.08            #peak  1055
 36 PHE  HE     45 MET  HE      8.65            #peak  1060
 36 PHE  HD     45 MET  HE      8.52            #peak  1061
 46 LEU  HD2    47 GLU  H       5.15            #peak  1067
 46 LEU  HD1    49 GLU  HG2     4.57            #peak  1068
 46 LEU  HD1    49 GLU  HG3     4.57            #peak  1069
 34 LEU  HD1    47 GLU  HA      5.22            #peak  1070
 47 GLU  HA     50 ALA  HB      4.29            #peak  1092
 36 PHE  HE     50 ALA  HB      7.13            #peak  1095
 35 ALA  HB     51 ARG  HB      7.40            #peak  1098
 34 LEU  HD2    52 SER  HB3     5.25            #peak  1105
 52 SER  HB3    55 ALA  HB      4.63            #peak  1106
 34 LEU  HD2    52 SER  HB2     4.84            #peak  1107
 52 SER  HB2    55 ALA  HB      5.00            #peak  1108
 35 ALA  HB     53 LEU  HD2     5.31            #peak  1112
 51 ARG  HH1    53 LEU  HD2     6.77            #peak  1113
 35 ALA  HB     53 LEU  HD1     5.86            #peak  1114
 34 LEU  H      53 LEU  HD1     5.50            #peak  1119
 10 VAL  HG2    15 LYS  HG2     5.65            #peak  1149
 11 CYS  HA     45 MET  HE      5.43            #peak  1059
 10 VAL  HG2    15 LYS  HG3     5.65            #peak   815
 27 LEU  HD1    36 PHE  HB2     5.78            #peak  1151
 34 LEU  HD1    47 GLU  HG      6.84            #peak  1155
 25 ALA  HB     38 VAL  HB      3.88            #peak   899
 26 GLU  H      38 VAL  HG2     5.40            #peak   354
 38 VAL  HG2    39 ARG  H       5.74            #peak  1159
 42 VAL  HB     44 ILE  HD1     6.52            #peak  1160
 46 LEU  HD1    49 GLU  HB3     5.28            #peak  1167
 48 ALA  HB     49 GLU  HG2     5.00            #peak  1170
 48 ALA  HB     49 GLU  HG3     5.00            #peak  1171
 36 PHE  HA     36 PHE  HD      5.06            #peak     8
 20 PHE  HD     21 GLN  H       5.27            #peak    12
 20 PHE  HE     22 ARG  HA      5.83            #peak    17
 20 PHE  HE     25 ALA  HA      6.24            #peak    18
 27 LEU  HB2    36 PHE  HD      5.64            #peak    23
 27 LEU  HB3    36 PHE  HD      5.21            #peak    24
 36 PHE  HD     45 MET  HA      4.71            #peak    25
 28 VAL  HA     36 PHE  HD      5.95            #peak    26
 35 ALA  HA     36 PHE  HD      5.64            #peak    27
 12 PRO  HG     36 PHE  HE      6.94            #peak    32
 36 PHE  HE     47 GLU  HA      4.97            #peak    38
 20 PHE  HE     38 VAL  HG1     7.69            #peak    13
 20 PHE  HE     25 ALA  HB      6.70            #peak    16
 18 LEU  HD1    36 PHE  HD      6.48            #peak    19
 18 LEU  HD2    36 PHE  HD      5.83            #peak    20
 36 PHE  HD     50 ALA  HB      5.83            #peak    21
  4 ARG  H       4 ARG  HB      3.53            #peak   156
  8 ILE  H       8 ILE  HG1     3.28            #peak     1
  9 LEU  HD2    45 MET  HG      4.99            #peak   806
 10 VAL  HG1    15 LYS  HB      5.51            #peak  1147
 10 VAL  HG2    15 LYS  HB      4.82            #peak   817
 10 VAL  HG2    15 LYS  HG      4.81            #peak   815
 10 VAL  HG2    15 LYS  HD      4.93            #peak   816
 11 CYS  HB     12 PRO  HD      5.18            #peak   145
 11 CYS  HB     14 CYS  H       3.65            #peak   318
 11 CYS  HB     15 LYS  H       3.50            #peak   320
 11 CYS  HB     15 LYS  HA      3.62            #peak  1146
 11 CYS  HB     16 GLY  H       2.63            #peak   326
 11 CYS  HB     18 LEU  HD1     5.54            #peak   879
 11 CYS  HB     18 LEU  HD2     3.97            #peak   872
 11 CYS  HB     29 CYS  HB      5.18            #peak  1142
 12 PRO  HB     13 VAL  H       3.90            #peak    79
 12 PRO  HB     13 VAL  HG2     6.29            #peak   833
 12 PRO  HD     13 VAL  H       4.02            #peak   313
 12 PRO  HD     18 LEU  HD1     5.66            #peak   878
 12 PRO  HD     18 LEU  HD2     6.29            #peak   841
 12 PRO  HD     36 PHE  HE      5.88            #peak    36
 12 PRO  HD     45 MET  HE      4.47            #peak  1057
 13 VAL  HG1    14 CYS  HB      4.75            #peak   848
 14 CYS  H      14 CYS  HB      3.30            #peak     9
 14 CYS  HB     16 GLY  H       5.34            #peak   850
 15 LYS  H      15 LYS  HG      3.63            #peak   221
 15 LYS  HA     15 LYS  HG      3.41            #peak   378
 15 LYS  HA     15 LYS  HD      3.35            #peak  1144
 15 LYS  HB     15 LYS  HG      2.36            #peak   685
 15 LYS  HB     16 GLY  H       4.21            #peak    94
 15 LYS  HD     16 GLY  H       5.34            #peak   323
 18 LEU  HD2    29 CYS  HB      3.85            #peak   871
 19 GLU  H      19 GLU  HG      4.24            #peak   265
 19 GLU  HB     20 PHE  H       3.78            #peak    54
 19 GLU  HB     30 ASN  HD21    5.02            #peak   377
 19 GLU  HB     30 ASN  HD22    4.10            #peak   380
 19 GLU  HG     20 PHE  H       4.56            #peak   335
 19 GLU  HG     30 ASN  HD21    5.29            #peak   378
 19 GLU  HG     30 ASN  HD22    4.59            #peak   382
 20 PHE  H      20 PHE  HB      3.05            #peak    56
 20 PHE  HB     27 LEU  HD2     4.21            #peak   922
 21 GLN  H      21 GLN  HG      3.73            #peak   208
 21 GLN  HB2    21 GLN  HG      2.46            #peak   309
 21 GLN  HB3    21 GLN  HE2     3.93            #peak   234
 21 GLN  HG     21 GLN  HE2     2.99            #peak   236
 21 GLN  HE2    28 VAL  HG1     5.09            #peak   342
 21 GLN  HE2    28 VAL  HG2     4.88            #peak   340
 22 ARG  H      22 ARG  HG      3.95            #peak   271
 22 ARG  HA     22 ARG  HG      3.66            #peak   503
 24 GLN  HB     24 GLN  HE21    5.29            #peak   215
 24 GLN  HB     24 GLN  HE22    4.43            #peak    21
 24 GLN  HB     25 ALA  H       3.86            #peak    35
 26 GLU  H      26 GLU  HB      3.26            #peak   178
 26 GLU  H      26 GLU  HG      3.53            #peak   179
 26 GLU  HG     27 LEU  H       4.51            #peak   360
 26 GLU  HG     35 ALA  HB      4.41            #peak   986
 26 GLU  HG     37 PRO  HA      5.34            #peak   908
 27 LEU  HD1    43 PRO  HG      5.08            #peak  1152
 29 CYS  H      29 CYS  HB      3.51            #peak    11
 29 CYS  HB     30 ASN  H       4.16            #peak   192
 29 CYS  HB     32 ASP  H       4.19            #peak   388
 29 CYS  HB     32 ASP  HB2     5.34            #peak   950
 29 CYS  HB     32 ASP  HB3     5.34            #peak  1154
 29 CYS  HB     33 ARG  H       4.29            #peak   394
 29 CYS  HB     34 LEU  H       3.12            #peak   403
 29 CYS  HB     34 LEU  HB3     5.34            #peak   962
 29 CYS  HB     36 PHE  HE      5.89            #peak    34
 33 ARG  H      33 ARG  HG      3.55            #peak   200
 33 ARG  HA     33 ARG  HG      2.95            #peak   698
 33 ARG  HA     33 ARG  HD      3.65            #peak   697
 33 ARG  HA     53 LEU  HB      5.34            #peak  1111
 33 ARG  HB2    53 LEU  HB      4.06            #peak   958
 33 ARG  HD     53 LEU  HD1     5.09            #peak  1116
 36 PHE  HB2    37 PRO  HD      5.35            #peak   159
 37 PRO  HB     38 VAL  H       3.95            #peak   250
 37 PRO  HG     44 ILE  HG2     5.37            #peak   999
 37 PRO  HD     50 ALA  HA      5.35            #peak  1090
 37 PRO  HD     50 ALA  HB      6.29            #peak  1000
 37 PRO  HD     51 ARG  H       4.79            #peak   460
 38 VAL  HG1    43 PRO  HG      5.57            #peak  1163
 39 ARG  H      39 ARG  HB      3.60            #peak   288
 39 ARG  HB     39 ARG  HE      5.34            #peak    64
 39 ARG  HB     44 ILE  HG13    4.00            #peak  1165
 39 ARG  HB     44 ILE  HD1     4.44            #peak  1048
 39 ARG  HD     44 ILE  HG13    4.29            #peak  1039
 39 ARG  HD     44 ILE  HD1     4.58            #peak  1050
 40 ASP  HB     42 VAL  HG      6.03            #peak  1161
 44 ILE  HG2    49 GLU  HG      4.58            #peak  1043
 45 MET  H      45 MET  HB      3.08            #peak    28
 45 MET  H      45 MET  HG      2.89            #peak    23
 45 MET  HB     45 MET  HE      4.90            #peak   501
 46 LEU  HB     49 GLU  HG      4.53            #peak  1065
 46 LEU  HD1    49 GLU  HG      3.93            #peak  1069
 46 LEU  HD2    49 GLU  HG      5.05            #peak  1168
 48 ALA  HB     49 GLU  HG      4.16            #peak  1170
 53 LEU  H      53 LEU  HB      3.49            #peak   160
 54 ASP  H      54 ASP  HB      2.86            #peak   202
 54 ASP  HB     55 ALA  H       3.72            #peak    51
 56 GLU  H      56 GLU  HB      3.41            #peak   175
 56 GLU  HB     57 ALA  H       3.69            #peak    82
 57 ALA  HB     58 PRO  HD      3.98            #peak   422
 58 PRO  HB     59 ALA  H       3.73            #peak   299
 58 PRO  HB     59 ALA  HB      6.29            #peak  1123
 60 GLN  H      60 GLN  HB      3.64            #peak   174
 60 GLN  HB     61 PRO  HD      4.76            #peak   650
 62 SER  H      62 SER  HB      3.59            #peak   486
 62 SER  HB     63 LEU  H       4.27            #peak   107

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1H        MET   1 -28.437  -3.162 -20.408
    2   2H    MET   1          2H        MET   1 -29.123  -1.621 -20.355
    3   3H    MET   1          3H        MET   1 -28.457  -2.304 -18.950
    4    HA   MET   1           HA       MET   1 -27.000  -1.473 -21.390
    5   1HB   MET   1          2HB       MET   1 -26.999  -0.423 -18.550
    6   2HB   MET   1          1HB       MET   1 -25.855   0.073 -19.789
    7   1HG   MET   1          2HG       MET   1 -27.664   0.975 -21.134
    8   2HG   MET   1          1HG       MET   1 -28.838   0.442 -19.929
    9   1HE   MET   1          1HE       MET   1 -29.832   2.920 -19.863
   10   2HE   MET   1          2HE       MET   1 -28.633   3.431 -21.053
   11   3HE   MET   1          3HE       MET   1 -28.850   4.352 -19.561
   12    H    GLU   2           H        GLU   2 -24.847  -2.010 -21.500
   13    HA   GLU   2           HA       GLU   2 -24.033  -4.169 -19.667
   14   1HB   GLU   2          2HB       GLU   2 -22.952  -3.568 -22.429
   15   2HB   GLU   2          1HB       GLU   2 -22.570  -4.964 -21.431
   16   1HG   GLU   2          2HG       GLU   2 -25.197  -4.322 -22.739
   17   2HG   GLU   2          1HG       GLU   2 -24.095  -5.641 -23.128
   18    H    SER   3           H        SER   3 -22.366  -3.832 -18.352
   19    HA   SER   3           HA       SER   3 -20.859  -1.341 -18.674
   20   1HB   SER   3          2HB       SER   3 -22.053  -1.758 -16.516
   21   2HB   SER   3          1HB       SER   3 -21.023  -3.167 -16.261
   22    HG   SER   3           HG       SER   3 -20.406  -1.006 -15.307
   23    H    ARG   4           H        ARG   4 -18.662  -1.307 -18.856
   24    HA   ARG   4           HA       ARG   4 -17.330  -3.916 -19.160
   25   1HB   ARG   4          2HB       ARG   4 -16.419  -1.253 -20.286
   26   2HB   ARG   4          1HB       ARG   4 -15.764  -2.843 -20.662
   27   1HG   ARG   4          2HG       ARG   4 -17.855  -3.473 -21.733
   28   2HG   ARG   4          1HG       ARG   4 -18.555  -1.911 -21.315
   29   1HD   ARG   4          2HD       ARG   4 -16.711  -0.851 -22.667
   30   2HD   ARG   4          1HD       ARG   4 -16.296  -2.471 -23.226
   31    HE   ARG   4           HE       ARG   4 -19.062  -1.934 -23.597
   32   1HH1  ARG   4          1HH1      ARG   4 -15.912  -1.219 -24.989
   33   2HH1  ARG   4          2HH1      ARG   4 -16.552  -0.953 -26.585
   34   1HH2  ARG   4          1HH2      ARG   4 -19.885  -1.568 -25.678
   35   2HH2  ARG   4          2HH2      ARG   4 -18.808  -1.134 -26.978
   36    H    LEU   5           H        LEU   5 -15.606  -0.916 -18.901
   37    HA   LEU   5           HA       LEU   5 -14.400   0.127 -17.315
   38   1HB   LEU   5          2HB       LEU   5 -16.342  -1.349 -15.586
   39   2HB   LEU   5          1HB       LEU   5 -15.019  -0.458 -14.861
   40    HG   LEU   5           HG       LEU   5 -15.844   1.600 -16.014
   41   1HD1  LEU   5          1HD1      LEU   5 -18.229  -0.117 -16.679
   42   2HD1  LEU   5          2HD1      LEU   5 -17.081   0.556 -17.833
   43   3HD1  LEU   5          3HD1      LEU   5 -18.117   1.628 -16.893
   44   1HD2  LEU   5          1HD2      LEU   5 -17.818   0.242 -14.184
   45   2HD2  LEU   5          2HD2      LEU   5 -17.697   1.977 -14.485
   46   3HD2  LEU   5          3HD2      LEU   5 -16.379   1.127 -13.679
   47    H    LEU   6           H        LEU   6 -12.506  -0.034 -16.262
   48    HA   LEU   6           HA       LEU   6 -11.601  -2.719 -15.434
   49   1HB   LEU   6          2HB       LEU   6 -10.028  -0.354 -16.472
   50   2HB   LEU   6          1HB       LEU   6  -9.271  -1.673 -15.604
   51    HG   LEU   6           HG       LEU   6  -8.897  -2.086 -17.899
   52   1HD1  LEU   6          1HD1      LEU   6  -9.486  -4.068 -16.656
   53   2HD1  LEU   6          2HD1      LEU   6 -10.103  -4.191 -18.303
   54   3HD1  LEU   6          3HD1      LEU   6 -11.199  -3.798 -16.975
   55   1HD2  LEU   6          1HD2      LEU   6 -10.559  -0.575 -18.830
   56   2HD2  LEU   6          2HD2      LEU   6 -11.848  -1.683 -18.363
   57   3HD2  LEU   6          3HD2      LEU   6 -10.667  -2.168 -19.581
   58    H    ASP   7           H        ASP   7 -13.198  -0.585 -14.116
   59    HA   ASP   7           HA       ASP   7 -11.399   0.459 -12.072
   60   1HB   ASP   7          2HB       ASP   7 -12.925   2.024 -13.253
   61   2HB   ASP   7          1HB       ASP   7 -14.299   1.120 -12.628
   62    H    ILE   8           H        ILE   8 -11.077  -1.223 -10.703
   63    HA   ILE   8           HA       ILE   8 -13.416  -2.590  -9.594
   64    HB   ILE   8           HB       ILE   8 -11.685  -4.133  -8.567
   65   1HG1  ILE   8          2HG1      ILE   8  -9.883  -2.764 -10.574
   66   2HG1  ILE   8          1HG1      ILE   8  -9.751  -2.605  -8.827
   67   1HG2  ILE   8          1HG2      ILE   8 -13.031  -4.763 -10.479
   68   2HG2  ILE   8          2HG2      ILE   8 -11.391  -5.390 -10.650
   69   3HG2  ILE   8          3HG2      ILE   8 -11.892  -3.970 -11.569
   70   1HD1  ILE   8          1HD1      ILE   8  -9.392  -5.141 -10.405
   71   2HD1  ILE   8          2HD1      ILE   8  -9.267  -4.991  -8.651
   72   3HD1  ILE   8          3HD1      ILE   8  -8.110  -4.160  -9.693
   73    H    LEU   9           H        LEU   9 -10.548  -0.772  -8.528
   74    HA   LEU   9           HA       LEU   9 -11.745  -0.669  -5.844
   75   1HB   LEU   9          2HB       LEU   9  -9.078  -1.572  -6.660
   76   2HB   LEU   9          1HB       LEU   9  -9.066  -0.405  -5.352
   77    HG   LEU   9           HG       LEU   9  -9.045  -2.587  -4.386
   78   1HD1  LEU   9          1HD1      LEU   9 -11.102  -2.572  -3.054
   79   2HD1  LEU   9          2HD1      LEU   9 -11.809  -1.409  -4.174
   80   3HD1  LEU   9          3HD1      LEU   9 -10.402  -0.960  -3.211
   81   1HD2  LEU   9          1HD2      LEU   9  -9.876  -3.878  -6.257
   82   2HD2  LEU   9          2HD2      LEU   9 -11.485  -3.189  -6.045
   83   3HD2  LEU   9          3HD2      LEU   9 -10.804  -4.239  -4.802
   84    H    VAL  10           H        VAL  10 -12.295   1.308  -5.365
   85    HA   VAL  10           HA       VAL  10 -10.505   3.514  -6.130
   86    HB   VAL  10           HB       VAL  10 -12.429   5.030  -5.699
   87   1HG1  VAL  10          1HG1      VAL  10 -12.949   2.902  -7.772
   88   2HG1  VAL  10          2HG1      VAL  10 -11.910   4.314  -7.968
   89   3HG1  VAL  10          3HG1      VAL  10 -13.648   4.522  -7.752
   90   1HG2  VAL  10          1HG2      VAL  10 -13.706   3.628  -4.174
   91   2HG2  VAL  10          2HG2      VAL  10 -14.007   2.465  -5.464
   92   3HG2  VAL  10          3HG2      VAL  10 -14.698   4.084  -5.559
   93    H    CYS  11           H        CYS  11 -10.117   5.153  -4.522
   94    HA   CYS  11           HA       CYS  11  -9.457   4.208  -1.985
   95   1HB   CYS  11          2HB       CYS  11  -8.447   6.215  -2.914
   96   2HB   CYS  11          1HB       CYS  11 -10.004   7.036  -2.922
   97    HG   CYS  11           HG       CYS  11  -7.813   7.453  -0.743
   98    HA   PRO  12           HA       PRO  12 -13.485   3.988  -0.111
   99   1HB   PRO  12          2HB       PRO  12 -12.658   3.590   2.451
  100   2HB   PRO  12          1HB       PRO  12 -12.643   2.325   1.219
  101   1HG   PRO  12          2HG       PRO  12 -10.393   4.041   2.198
  102   2HG   PRO  12          1HG       PRO  12 -10.403   2.304   1.839
  103   1HD   PRO  12          2HD       PRO  12  -9.397   4.135   0.127
  104   2HD   PRO  12          1HD       PRO  12 -10.179   2.643  -0.428
  105    H    VAL  13           H        VAL  13 -11.139   6.389   0.499
  106    HA   VAL  13           HA       VAL  13 -12.994   7.880   2.226
  107    HB   VAL  13           HB       VAL  13 -10.055   8.409   1.763
  108   1HG1  VAL  13          1HG1      VAL  13 -10.238   9.898   3.691
  109   2HG1  VAL  13          2HG1      VAL  13 -11.968   9.568   3.786
  110   3HG1  VAL  13          3HG1      VAL  13 -11.305  10.409   2.385
  111   1HG2  VAL  13          1HG2      VAL  13  -9.711   7.509   4.012
  112   2HG2  VAL  13          2HG2      VAL  13 -10.384   6.292   2.929
  113   3HG2  VAL  13          3HG2      VAL  13 -11.423   7.094   4.109
  114    H    CYS  14           H        CYS  14 -10.743   8.415  -0.492
  115    HA   CYS  14           HA       CYS  14 -12.044  10.963  -1.047
  116   1HB   CYS  14          2HB       CYS  14  -9.524  10.649  -0.957
  117   2HB   CYS  14          1HB       CYS  14  -9.670   9.769  -2.473
  118    HG   CYS  14           HG       CYS  14  -9.215  12.910  -2.080
  119    H    LYS  15           H        LYS  15 -12.325   7.775  -2.034
  120    HA   LYS  15           HA       LYS  15 -13.292   6.672  -3.749
  121   1HB   LYS  15          2HB       LYS  15 -14.643   9.343  -4.133
  122   2HB   LYS  15          1HB       LYS  15 -15.129   7.856  -4.940
  123   1HG   LYS  15          2HG       LYS  15 -15.032   8.210  -1.954
  124   2HG   LYS  15          1HG       LYS  15 -16.479   8.406  -2.938
  125   1HD   LYS  15          2HD       LYS  15 -16.316   6.090  -3.670
  126   2HD   LYS  15          1HD       LYS  15 -14.829   5.892  -2.740
  127   1HE   LYS  15          2HE       LYS  15 -16.025   6.273  -0.676
  128   2HE   LYS  15          1HE       LYS  15 -17.511   6.610  -1.564
  129   1HZ   LYS  15          1HZ       LYS  15 -16.075   4.005  -1.604
  130   2HZ   LYS  15          2HZ       LYS  15 -17.573   4.345  -2.326
  131   3HZ   LYS  15          3HZ       LYS  15 -17.426   4.349  -0.640
  132    H    GLY  16           H        GLY  16 -10.825   8.433  -4.238
  133   1HA   GLY  16          2HA       GLY  16 -10.921   8.737  -7.121
  134   2HA   GLY  16          1HA       GLY  16  -9.524   9.026  -6.085
  135    H    ARG  17           H        ARG  17  -9.831   7.450  -8.603
  136    HA   ARG  17           HA       ARG  17  -9.775   4.693  -7.972
  137   1HB   ARG  17          2HB       ARG  17 -10.264   5.529 -10.226
  138   2HB   ARG  17          1HB       ARG  17  -8.624   6.148 -10.361
  139   1HG   ARG  17          2HG       ARG  17  -7.714   3.938 -10.362
  140   2HG   ARG  17          1HG       ARG  17  -9.290   3.234  -9.986
  141   1HD   ARG  17          2HD       ARG  17  -8.611   4.766 -12.494
  142   2HD   ARG  17          1HD       ARG  17  -8.710   3.009 -12.369
  143    HE   ARG  17           HE       ARG  17 -11.118   3.472 -11.634
  144   1HH1  ARG  17          1HH1      ARG  17  -9.353   5.495 -13.892
  145   2HH1  ARG  17          2HH1      ARG  17 -10.779   6.058 -14.706
  146   1HH2  ARG  17          1HH2      ARG  17 -12.985   4.185 -12.717
  147   2HH2  ARG  17          2HH2      ARG  17 -12.859   5.293 -14.052
  148    H    LEU  18           H        LEU  18  -8.137   3.315  -7.509
  149    HA   LEU  18           HA       LEU  18  -5.765   4.468  -6.381
  150   1HB   LEU  18          2HB       LEU  18  -6.570   1.579  -6.743
  151   2HB   LEU  18          1HB       LEU  18  -5.205   2.135  -5.794
  152    HG   LEU  18           HG       LEU  18  -8.103   2.761  -5.220
  153   1HD1  LEU  18          1HD1      LEU  18  -7.536   0.420  -4.814
  154   2HD1  LEU  18          2HD1      LEU  18  -7.840   1.286  -3.308
  155   3HD1  LEU  18          3HD1      LEU  18  -6.185   0.924  -3.799
  156   1HD2  LEU  18          1HD2      LEU  18  -5.579   3.426  -3.707
  157   2HD2  LEU  18          2HD2      LEU  18  -7.216   3.647  -3.089
  158   3HD2  LEU  18          3HD2      LEU  18  -6.672   4.565  -4.493
  159    H    GLU  19           H        GLU  19  -3.627   4.042  -6.986
  160    HA   GLU  19           HA       GLU  19  -3.320   3.426  -9.851
  161   1HB   GLU  19          2HB       GLU  19  -2.877   5.800  -8.868
  162   2HB   GLU  19          1HB       GLU  19  -1.383   5.095  -8.283
  163   1HG   GLU  19          2HG       GLU  19  -2.111   4.843 -11.161
  164   2HG   GLU  19          1HG       GLU  19  -1.459   6.361 -10.552
  165    H    PHE  20           H        PHE  20  -2.531   1.479 -10.058
  166    HA   PHE  20           HA       PHE  20  -1.205   0.182  -7.848
  167   1HB   PHE  20          2HB       PHE  20  -2.904  -1.067  -9.014
  168   2HB   PHE  20          1HB       PHE  20  -2.078  -0.844 -10.551
  169    HD1  PHE  20           2HD      PHE  20  -1.421  -2.240  -7.150
  170    HD2  PHE  20           1HD      PHE  20  -0.786  -2.582 -11.342
  171    HE1  PHE  20           2HE      PHE  20  -0.191  -4.341  -6.789
  172    HE2  PHE  20           1HE      PHE  20   0.446  -4.681 -10.989
  173    HZ   PHE  20           HZ       PHE  20   0.745  -5.565  -8.711
  174    H    GLN  21           H        GLN  21   0.870   0.582  -7.567
  175    HA   GLN  21           HA       GLN  21   2.634   0.530  -9.906
  176   1HB   GLN  21          2HB       GLN  21   2.963   1.700  -7.150
  177   2HB   GLN  21          1HB       GLN  21   4.310   1.511  -8.256
  178   1HG   GLN  21          2HG       GLN  21   3.141   2.906  -9.894
  179   2HG   GLN  21          1HG       GLN  21   1.839   3.138  -8.728
  180   1HE2  GLN  21          1HE2      GLN  21   2.156   5.320  -8.738
  181   2HE2  GLN  21          2HE2      GLN  21   3.487   6.059  -7.906
  182    H    ARG  22           H        ARG  22   4.817  -0.459  -9.446
  183    HA   ARG  22           HA       ARG  22   4.428  -2.927  -7.886
  184   1HB   ARG  22          2HB       ARG  22   5.834  -2.601 -10.544
  185   2HB   ARG  22          1HB       ARG  22   5.794  -4.086  -9.603
  186   1HG   ARG  22          2HG       ARG  22   3.364  -4.169  -9.838
  187   2HG   ARG  22          1HG       ARG  22   3.409  -2.681 -10.786
  188   1HD   ARG  22          2HD       ARG  22   3.248  -4.611 -12.244
  189   2HD   ARG  22          1HD       ARG  22   4.800  -3.804 -12.461
  190    HE   ARG  22           HE       ARG  22   4.778  -6.022 -10.587
  191   1HH1  ARG  22          1HH1      ARG  22   5.438  -4.910 -13.846
  192   2HH1  ARG  22          2HH1      ARG  22   6.397  -6.302 -14.251
  193   1HH2  ARG  22          1HH2      ARG  22   6.046  -7.832 -11.115
  194   2HH2  ARG  22          2HH2      ARG  22   6.758  -7.966 -12.700
  195    H    ALA  23           H        ALA  23   5.733  -0.349  -7.200
  196    HA   ALA  23           HA       ALA  23   8.570  -0.876  -7.172
  197   1HB   ALA  23          1HB       ALA  23   6.962   1.189  -5.662
  198   2HB   ALA  23          2HB       ALA  23   7.743   1.426  -7.224
  199   3HB   ALA  23          3HB       ALA  23   8.719   1.139  -5.784
  200    H    GLN  24           H        GLN  24   6.314  -0.308  -4.484
  201    HA   GLN  24           HA       GLN  24   7.545  -2.591  -3.074
  202   1HB   GLN  24          2HB       GLN  24   6.285  -0.049  -2.099
  203   2HB   GLN  24          1HB       GLN  24   6.249  -1.476  -1.078
  204   1HG   GLN  24          2HG       GLN  24   8.096  -0.177  -0.394
  205   2HG   GLN  24          1HG       GLN  24   8.741  -1.566  -1.257
  206   1HE2  GLN  24          1HE2      GLN  24   9.828  -1.249  -3.184
  207   2HE2  GLN  24          2HE2      GLN  24  10.287   0.319  -3.759
  208    H    ALA  25           H        ALA  25   5.346  -2.262  -5.153
  209    HA   ALA  25           HA       ALA  25   3.339  -3.134  -5.709
  210   1HB   ALA  25          1HB       ALA  25   2.512  -5.107  -4.500
  211   2HB   ALA  25          2HB       ALA  25   3.712  -4.828  -3.236
  212   3HB   ALA  25          3HB       ALA  25   4.233  -5.238  -4.870
  213    H    GLU  26           H        GLU  26   2.578  -0.974  -5.231
  214    HA   GLU  26           HA       GLU  26   0.852  -0.887  -2.858
  215   1HB   GLU  26          2HB       GLU  26   1.491   1.461  -2.525
  216   2HB   GLU  26          1HB       GLU  26   2.851   0.368  -2.350
  217   1HG   GLU  26          2HG       GLU  26   2.342   1.756  -4.954
  218   2HG   GLU  26          1HG       GLU  26   3.155   2.588  -3.632
  219    H    LEU  27           H        LEU  27  -1.077   0.110  -3.044
  220    HA   LEU  27           HA       LEU  27  -1.885   1.060  -5.692
  221   1HB   LEU  27          2HB       LEU  27  -3.592   0.709  -3.229
  222   2HB   LEU  27          1HB       LEU  27  -4.147   0.949  -4.869
  223    HG   LEU  27           HG       LEU  27  -2.625  -1.502  -3.988
  224   1HD1  LEU  27          1HD1      LEU  27  -4.762  -1.329  -2.789
  225   2HD1  LEU  27          2HD1      LEU  27  -4.771  -2.650  -3.957
  226   3HD1  LEU  27          3HD1      LEU  27  -5.602  -1.139  -4.328
  227   1HD2  LEU  27          1HD2      LEU  27  -4.281  -0.915  -6.439
  228   2HD2  LEU  27          2HD2      LEU  27  -3.464  -2.435  -6.075
  229   3HD2  LEU  27          3HD2      LEU  27  -2.521  -0.975  -6.378
  230    H    VAL  28           H        VAL  28  -1.129   3.111  -5.891
  231    HA   VAL  28           HA       VAL  28  -0.988   4.912  -3.678
  232    HB   VAL  28           HB       VAL  28  -0.630   5.462  -6.629
  233   1HG1  VAL  28          1HG1      VAL  28   0.192   7.089  -4.225
  234   2HG1  VAL  28          2HG1      VAL  28  -1.088   7.504  -5.369
  235   3HG1  VAL  28          3HG1      VAL  28   0.592   7.452  -5.902
  236   1HG2  VAL  28          1HG2      VAL  28   0.950   3.788  -5.797
  237   2HG2  VAL  28          2HG2      VAL  28   1.407   4.864  -4.480
  238   3HG2  VAL  28          3HG2      VAL  28   1.774   5.307  -6.145
  239    H    CYS  29           H        CYS  29  -2.575   6.097  -2.896
  240    HA   CYS  29           HA       CYS  29  -5.002   6.612  -4.356
  241   1HB   CYS  29          2HB       CYS  29  -4.028   7.864  -1.779
  242   2HB   CYS  29          1HB       CYS  29  -5.679   7.874  -2.389
  243    HG   CYS  29           HG       CYS  29  -4.689   4.764  -2.180
  244    H    ASN  30           H        ASN  30  -4.702   7.878  -6.106
  245    HA   ASN  30           HA       ASN  30  -2.590   9.798  -6.212
  246   1HB   ASN  30          2HB       ASN  30  -3.675   8.206  -8.048
  247   2HB   ASN  30          1HB       ASN  30  -4.672   9.626  -8.340
  248   1HD2  ASN  30          1HD2      ASN  30  -2.626   8.297  -9.971
  249   2HD2  ASN  30          2HD2      ASN  30  -1.476   9.521 -10.352
  250    H    ALA  31           H        ALA  31  -4.074  10.678  -4.251
  251    HA   ALA  31           HA       ALA  31  -4.721  13.328  -5.092
  252   1HB   ALA  31          1HB       ALA  31  -6.866  12.290  -5.596
  253   2HB   ALA  31          2HB       ALA  31  -7.023  13.377  -4.216
  254   3HB   ALA  31          3HB       ALA  31  -6.952  11.631  -3.963
  255    H    ASP  32           H        ASP  32  -4.829  10.855  -2.605
  256    HA   ASP  32           HA       ASP  32  -4.468  12.820  -0.482
  257   1HB   ASP  32          2HB       ASP  32  -4.704   9.805  -0.312
  258   2HB   ASP  32          1HB       ASP  32  -4.756  10.928   1.041
  259    H    ARG  33           H        ARG  33  -2.547  11.078  -2.568
  260    HA   ARG  33           HA       ARG  33  -0.361  10.525  -2.684
  261   1HB   ARG  33          2HB       ARG  33  -0.166  12.449  -0.371
  262   2HB   ARG  33          1HB       ARG  33   1.232  11.677  -1.109
  263   1HG   ARG  33          2HG       ARG  33   0.347  12.647  -3.315
  264   2HG   ARG  33          1HG       ARG  33  -0.639  13.692  -2.286
  265   1HD   ARG  33          2HD       ARG  33   2.357  13.425  -2.171
  266   2HD   ARG  33          1HD       ARG  33   1.475  14.759  -2.916
  267    HE   ARG  33           HE       ARG  33   0.500  14.974  -0.513
  268   1HH1  ARG  33          1HH1      ARG  33   3.821  14.181  -1.373
  269   2HH1  ARG  33          2HH1      ARG  33   4.480  14.845   0.100
  270   1HH2  ARG  33          1HH2      ARG  33   1.380  15.834   1.396
  271   2HH2  ARG  33          2HH2      ARG  33   3.092  15.793   1.657
  272    H    LEU  34           H        LEU  34  -2.163   8.861  -1.263
  273    HA   LEU  34           HA       LEU  34  -0.408   7.662   0.774
  274   1HB   LEU  34          2HB       LEU  34  -3.355   7.267   0.234
  275   2HB   LEU  34          1HB       LEU  34  -2.440   6.337   1.405
  276    HG   LEU  34           HG       LEU  34  -2.857   9.321   1.521
  277   1HD1  LEU  34          1HD1      LEU  34  -4.938   8.088   1.893
  278   2HD1  LEU  34          2HD1      LEU  34  -4.362   8.840   3.379
  279   3HD1  LEU  34          3HD1      LEU  34  -4.137   7.110   3.124
  280   1HD2  LEU  34          1HD2      LEU  34  -1.683   7.418   3.538
  281   2HD2  LEU  34          2HD2      LEU  34  -1.905   9.156   3.743
  282   3HD2  LEU  34          3HD2      LEU  34  -0.764   8.547   2.544
  283    H    ALA  35           H        ALA  35  -0.605   5.181   0.788
  284    HA   ALA  35           HA       ALA  35  -1.055   3.992  -1.811
  285   1HB   ALA  35          1HB       ALA  35   1.217   4.898  -2.022
  286   2HB   ALA  35          2HB       ALA  35   1.198   3.138  -2.080
  287   3HB   ALA  35          3HB       ALA  35   1.709   3.963  -0.612
  288    H    PHE  36           H        PHE  36  -2.244   2.300  -1.276
  289    HA   PHE  36           HA       PHE  36  -1.912   0.922   1.239
  290   1HB   PHE  36          2HB       PHE  36  -3.694   0.322  -1.135
  291   2HB   PHE  36          1HB       PHE  36  -3.750  -0.532   0.404
  292    HD1  PHE  36           2HD      PHE  36  -3.861   1.254   2.478
  293    HD2  PHE  36           1HD      PHE  36  -5.358   1.832  -1.457
  294    HE1  PHE  36           2HE      PHE  36  -5.458   2.914   3.338
  295    HE2  PHE  36           1HE      PHE  36  -6.958   3.498  -0.608
  296    HZ   PHE  36           HZ       PHE  36  -7.011   4.038   1.795
  297    HA   PRO  37           HA       PRO  37   1.125  -1.734  -0.605
  298   1HB   PRO  37          2HB       PRO  37   1.851  -3.059   1.616
  299   2HB   PRO  37          1HB       PRO  37   2.297  -1.372   1.337
  300   1HG   PRO  37          2HG       PRO  37   0.164  -2.507   3.082
  301   2HG   PRO  37          1HG       PRO  37   1.216  -1.109   3.357
  302   1HD   PRO  37          2HD       PRO  37  -1.416  -0.985   2.481
  303   2HD   PRO  37          1HD       PRO  37  -0.215   0.305   2.285
  304    H    VAL  38           H        VAL  38   0.916  -3.562  -1.692
  305    HA   VAL  38           HA       VAL  38  -1.091  -5.514  -0.857
  306    HB   VAL  38           HB       VAL  38   0.614  -5.522  -3.359
  307   1HG1  VAL  38          1HG1      VAL  38  -0.223  -7.728  -2.750
  308   2HG1  VAL  38          2HG1      VAL  38  -1.034  -7.136  -4.198
  309   3HG1  VAL  38          3HG1      VAL  38  -1.864  -7.094  -2.643
  310   1HG2  VAL  38          1HG2      VAL  38  -2.206  -4.522  -2.952
  311   2HG2  VAL  38          2HG2      VAL  38  -1.409  -4.700  -4.514
  312   3HG2  VAL  38          3HG2      VAL  38  -0.789  -3.545  -3.334
  313    H    ARG  39           H        ARG  39  -0.332  -6.830   0.691
  314    HA   ARG  39           HA       ARG  39   2.486  -7.516   0.797
  315   1HB   ARG  39          2HB       ARG  39   1.159  -6.908   2.830
  316   2HB   ARG  39          1HB       ARG  39   0.235  -8.387   2.616
  317   1HG   ARG  39          2HG       ARG  39   2.283  -9.702   2.912
  318   2HG   ARG  39          1HG       ARG  39   3.191  -8.207   3.161
  319   1HD   ARG  39          2HD       ARG  39   1.787  -7.683   5.099
  320   2HD   ARG  39          1HD       ARG  39   0.894  -9.183   4.855
  321    HE   ARG  39           HE       ARG  39   3.780  -9.364   5.281
  322   1HH1  ARG  39          1HH1      ARG  39   0.539  -9.727   6.526
  323   2HH1  ARG  39          2HH1      ARG  39   1.013 -10.728   7.864
  324   1HH2  ARG  39          1HH2      ARG  39   4.439 -10.660   7.042
  325   2HH2  ARG  39          2HH2      ARG  39   3.250 -11.227   8.184
  326    H    ASP  40           H        ASP  40   2.335  -8.602  -1.266
  327    HA   ASP  40           HA       ASP  40   2.167 -10.384  -2.654
  328   1HB   ASP  40          2HB       ASP  40   3.858 -11.196  -1.043
  329   2HB   ASP  40          1HB       ASP  40   2.577 -11.946  -0.095
  330    H    GLY  41           H        GLY  41  -0.059  -9.882  -3.066
  331   1HA   GLY  41          2HA       GLY  41  -2.010 -11.033  -3.724
  332   2HA   GLY  41          1HA       GLY  41  -1.752 -12.171  -2.411
  333    H    VAL  42           H        VAL  42  -1.436 -10.338  -0.287
  334    HA   VAL  42           HA       VAL  42  -4.263  -9.621   0.005
  335    HB   VAL  42           HB       VAL  42  -2.129  -9.902   2.129
  336   1HG1  VAL  42          1HG1      VAL  42  -5.121  -9.603   2.382
  337   2HG1  VAL  42          2HG1      VAL  42  -3.911  -8.390   2.802
  338   3HG1  VAL  42          3HG1      VAL  42  -4.004  -9.898   3.713
  339   1HG2  VAL  42          1HG2      VAL  42  -3.263 -11.998   2.708
  340   2HG2  VAL  42          2HG2      VAL  42  -2.569 -12.029   1.085
  341   3HG2  VAL  42          3HG2      VAL  42  -4.305 -11.806   1.295
  342    HA   PRO  43           HA       PRO  43  -2.761  -5.371  -0.219
  343   1HB   PRO  43          2HB       PRO  43  -5.408  -4.531  -0.850
  344   2HB   PRO  43          1HB       PRO  43  -4.051  -4.733  -1.957
  345   1HG   PRO  43          2HG       PRO  43  -6.362  -6.277  -1.945
  346   2HG   PRO  43          1HG       PRO  43  -4.828  -6.723  -2.712
  347   1HD   PRO  43          2HD       PRO  43  -5.956  -7.577  -0.081
  348   2HD   PRO  43          1HD       PRO  43  -4.996  -8.508  -1.251
  349    H    ILE  44           H        ILE  44  -2.569  -4.120   1.515
  350    HA   ILE  44           HA       ILE  44  -4.497  -4.331   3.684
  351    HB   ILE  44           HB       ILE  44  -1.938  -2.724   3.557
  352   1HG1  ILE  44          2HG1      ILE  44  -1.491  -5.121   3.327
  353   2HG1  ILE  44          1HG1      ILE  44  -0.949  -4.538   4.893
  354   1HG2  ILE  44          1HG2      ILE  44  -3.487  -1.869   5.222
  355   2HG2  ILE  44          2HG2      ILE  44  -2.112  -2.651   6.003
  356   3HG2  ILE  44          3HG2      ILE  44  -3.666  -3.483   5.910
  357   1HD1  ILE  44          1HD1      ILE  44  -2.939  -5.472   5.939
  358   2HD1  ILE  44          2HD1      ILE  44  -2.017  -6.705   5.079
  359   3HD1  ILE  44          3HD1      ILE  44  -3.491  -6.051   4.371
  360    H    MET  45           H        MET  45  -6.303  -3.206   3.199
  361    HA   MET  45           HA       MET  45  -6.139  -0.603   1.921
  362   1HB   MET  45          2HB       MET  45  -8.518  -2.244   2.825
  363   2HB   MET  45          1HB       MET  45  -8.624  -0.724   1.949
  364   1HG   MET  45          2HG       MET  45  -7.259  -3.193   0.907
  365   2HG   MET  45          1HG       MET  45  -8.918  -2.734   0.532
  366   1HE   MET  45          1HE       MET  45  -8.694   0.436   0.271
  367   2HE   MET  45          2HE       MET  45  -9.579  -0.584  -0.866
  368   3HE   MET  45          3HE       MET  45  -8.414   0.595  -1.466
  369    H    LEU  46           H        LEU  46  -5.212  -1.111   4.736
  370    HA   LEU  46           HA       LEU  46  -6.994   0.686   6.224
  371   1HB   LEU  46          2HB       LEU  46  -4.684  -1.006   7.195
  372   2HB   LEU  46          1HB       LEU  46  -5.774  -0.077   8.209
  373    HG   LEU  46           HG       LEU  46  -6.622  -2.399   6.476
  374   1HD1  LEU  46          1HD1      LEU  46  -6.796  -3.640   8.576
  375   2HD1  LEU  46          2HD1      LEU  46  -6.105  -2.269   9.441
  376   3HD1  LEU  46          3HD1      LEU  46  -5.137  -3.140   8.251
  377   1HD2  LEU  46          1HD2      LEU  46  -8.397  -0.776   6.901
  378   2HD2  LEU  46          2HD2      LEU  46  -8.075  -0.870   8.632
  379   3HD2  LEU  46          3HD2      LEU  46  -8.691  -2.282   7.773
  380    H    GLU  47           H        GLU  47  -6.452   2.768   6.297
  381    HA   GLU  47           HA       GLU  47  -4.193   3.740   4.958
  382   1HB   GLU  47          2HB       GLU  47  -4.934   5.926   5.525
  383   2HB   GLU  47          1HB       GLU  47  -6.367   4.949   5.261
  384   1HG   GLU  47          2HG       GLU  47  -5.238   5.677   7.958
  385   2HG   GLU  47          1HG       GLU  47  -6.581   6.489   7.160
  386    H    ALA  48           H        ALA  48  -4.812   3.328   8.403
  387    HA   ALA  48           HA       ALA  48  -2.543   4.730   9.318
  388   1HB   ALA  48          1HB       ALA  48  -2.980   3.704  11.463
  389   2HB   ALA  48          2HB       ALA  48  -4.038   2.514  10.705
  390   3HB   ALA  48          3HB       ALA  48  -4.493   4.216  10.717
  391    H    GLU  49           H        GLU  49  -2.934   1.507   8.093
  392    HA   GLU  49           HA       GLU  49  -0.269   0.785   9.096
  393   1HB   GLU  49          2HB       GLU  49  -2.406  -1.058   8.026
  394   2HB   GLU  49          1HB       GLU  49  -0.909  -1.527   8.822
  395   1HG   GLU  49          2HG       GLU  49  -1.854  -0.072  10.781
  396   2HG   GLU  49          1HG       GLU  49  -3.395  -0.381   9.981
  397    H    ALA  50           H        ALA  50  -1.428   2.222   6.549
  398    HA   ALA  50           HA       ALA  50  -0.011   0.671   4.517
  399   1HB   ALA  50          1HB       ALA  50  -2.233   1.490   3.923
  400   2HB   ALA  50          2HB       ALA  50  -0.999   2.255   2.919
  401   3HB   ALA  50          3HB       ALA  50  -1.724   3.146   4.258
  402    H    ARG  51           H        ARG  51   0.894   2.606   2.839
  403    HA   ARG  51           HA       ARG  51   2.791   4.136   4.492
  404   1HB   ARG  51          2HB       ARG  51   4.446   3.931   2.731
  405   2HB   ARG  51          1HB       ARG  51   3.896   2.328   3.193
  406   1HG   ARG  51          2HG       ARG  51   2.528   2.164   1.230
  407   2HG   ARG  51          1HG       ARG  51   2.873   3.842   0.804
  408   1HD   ARG  51          2HD       ARG  51   4.904   1.614   0.948
  409   2HD   ARG  51          1HD       ARG  51   4.189   2.254  -0.531
  410    HE   ARG  51           HE       ARG  51   5.641   4.102   1.216
  411   1HH1  ARG  51          1HH1      ARG  51   5.504   2.294  -1.790
  412   2HH1  ARG  51          2HH1      ARG  51   6.832   3.147  -2.502
  413   1HH2  ARG  51          1HH2      ARG  51   7.386   5.235   0.275
  414   2HH2  ARG  51          2HH2      ARG  51   7.885   4.830  -1.353
  415    H    SER  52           H        SER  52   3.376   6.223   3.703
  416    HA   SER  52           HA       SER  52   1.481   7.326   1.755
  417   1HB   SER  52          2HB       SER  52   1.212   8.247   4.001
  418   2HB   SER  52          1HB       SER  52   2.907   8.695   4.033
  419    HG   SER  52           HG       SER  52   0.825   9.773   2.454
  420    H    LEU  53           H        LEU  53   2.437   9.347   0.711
  421    HA   LEU  53           HA       LEU  53   5.163   8.763  -0.204
  422   1HB   LEU  53          2HB       LEU  53   3.127  10.740  -1.245
  423   2HB   LEU  53          1HB       LEU  53   4.707  10.450  -1.948
  424    HG   LEU  53           HG       LEU  53   2.467   8.430  -1.787
  425   1HD1  LEU  53          1HD1      LEU  53   2.009  10.220  -3.384
  426   2HD1  LEU  53          2HD1      LEU  53   2.351   8.700  -4.211
  427   3HD1  LEU  53          3HD1      LEU  53   3.582   9.959  -4.134
  428   1HD2  LEU  53          1HD2      LEU  53   4.673   7.391  -1.661
  429   2HD2  LEU  53          2HD2      LEU  53   5.175   8.270  -3.104
  430   3HD2  LEU  53          3HD2      LEU  53   3.902   7.056  -3.208
  431    H    ASP  54           H        ASP  54   3.536  10.528   2.039
  432    HA   ASP  54           HA       ASP  54   5.557  12.652   2.204
  433   1HB   ASP  54          2HB       ASP  54   3.284  13.465   2.271
  434   2HB   ASP  54          1HB       ASP  54   2.857  12.306   3.524
  435    H    ALA  55           H        ALA  55   4.289   9.839   3.782
  436    HA   ALA  55           HA       ALA  55   6.314  10.082   5.889
  437   1HB   ALA  55          1HB       ALA  55   4.108  10.614   6.825
  438   2HB   ALA  55          2HB       ALA  55   4.763   9.122   7.497
  439   3HB   ALA  55          3HB       ALA  55   3.502   9.055   6.267
  440    H    GLU  56           H        GLU  56   7.749   8.627   5.244
  441    HA   GLU  56           HA       GLU  56   6.987   6.093   4.109
  442   1HB   GLU  56          2HB       GLU  56   9.705   7.064   5.004
  443   2HB   GLU  56          1HB       GLU  56   9.383   5.648   4.012
  444   1HG   GLU  56          2HG       GLU  56   8.914   8.522   3.261
  445   2HG   GLU  56          1HG       GLU  56  10.160   7.446   2.631
  446    H    ALA  57           H        ALA  57   8.085   4.081   5.060
  447    HA   ALA  57           HA       ALA  57   7.438   3.980   7.913
  448   1HB   ALA  57          1HB       ALA  57   7.849   1.742   5.934
  449   2HB   ALA  57          2HB       ALA  57   6.297   2.374   6.483
  450   3HB   ALA  57          3HB       ALA  57   7.366   1.552   7.619
  451    HA   PRO  58           HA       PRO  58  11.899   3.827   8.553
  452   1HB   PRO  58          2HB       PRO  58  11.269   4.187  11.362
  453   2HB   PRO  58          1HB       PRO  58  12.092   5.295  10.263
  454   1HG   PRO  58          2HG       PRO  58   9.607   5.765  11.284
  455   2HG   PRO  58          1HG       PRO  58  10.157   6.395   9.720
  456   1HD   PRO  58          2HD       PRO  58   8.418   4.026  10.309
  457   2HD   PRO  58          1HD       PRO  58   8.269   5.245   9.022
  458    H    ALA  59           H        ALA  59  12.739   1.838   8.519
  459    HA   ALA  59           HA       ALA  59  11.981  -0.030  10.653
  460   1HB   ALA  59          1HB       ALA  59  11.930  -1.887   9.064
  461   2HB   ALA  59          2HB       ALA  59  12.235  -0.766   7.737
  462   3HB   ALA  59          3HB       ALA  59  10.728  -0.664   8.648
  463    H    GLN  60           H        GLN  60  13.840   0.038  11.783
  464    HA   GLN  60           HA       GLN  60  16.219  -1.011  10.417
  465   1HB   GLN  60          2HB       GLN  60  16.203   1.226  12.461
  466   2HB   GLN  60          1HB       GLN  60  17.647   0.446  11.825
  467   1HG   GLN  60          2HG       GLN  60  17.074   1.237   9.581
  468   2HG   GLN  60          1HG       GLN  60  15.642   2.032  10.234
  469   1HE2  GLN  60          1HE2      GLN  60  17.934   3.147   8.833
  470   2HE2  GLN  60          2HE2      GLN  60  18.602   4.346   9.879
  471    HA   PRO  61           HA       PRO  61  15.055  -3.831  13.726
  472   1HB   PRO  61          2HB       PRO  61  16.972  -5.629  12.424
  473   2HB   PRO  61          1HB       PRO  61  15.239  -5.841  12.687
  474   1HG   PRO  61          2HG       PRO  61  16.270  -5.390  10.242
  475   2HG   PRO  61          1HG       PRO  61  14.680  -4.764  10.719
  476   1HD   PRO  61          2HD       PRO  61  17.316  -3.345  10.572
  477   2HD   PRO  61          1HD       PRO  61  15.705  -2.782  10.079
  478    H    SER  62           H        SER  62  15.999  -2.900  15.456
  479    HA   SER  62           HA       SER  62  17.526  -2.495  17.111
  480   1HB   SER  62          2HB       SER  62  17.796  -5.472  16.693
  481   2HB   SER  62          1HB       SER  62  18.208  -4.602  18.175
  482    HG   SER  62           HG       SER  62  15.925  -3.835  18.046
  483    H    LEU  63           H        LEU  63  19.161  -1.212  16.217
  484    HA   LEU  63           HA       LEU  63  21.552  -2.500  15.212
  485   1HB   LEU  63          2HB       LEU  63  20.878   0.373  15.826
  486   2HB   LEU  63          1HB       LEU  63  22.497  -0.131  15.387
  487    HG   LEU  63           HG       LEU  63  21.542  -1.021  13.232
  488   1HD1  LEU  63          1HD1      LEU  63  19.107   0.505  14.137
  489   2HD1  LEU  63          2HD1      LEU  63  19.217  -1.234  13.874
  490   3HD1  LEU  63          3HD1      LEU  63  19.374  -0.125  12.512
  491   1HD2  LEU  63          1HD2      LEU  63  22.729   1.089  13.332
  492   2HD2  LEU  63          2HD2      LEU  63  21.244   1.923  13.793
  493   3HD2  LEU  63          3HD2      LEU  63  21.386   1.189  12.195
  494    H    GLU  64           H        GLU  64  22.289  -3.791  16.811
  495    HA   GLU  64           HA       GLU  64  23.481  -2.564  19.144
  496   1HB   GLU  64          2HB       GLU  64  21.230  -2.874  19.957
  497   2HB   GLU  64          1HB       GLU  64  21.179  -4.517  19.338
  498   1HG   GLU  64          2HG       GLU  64  23.047  -5.052  20.947
  499   2HG   GLU  64          1HG       GLU  64  22.762  -3.467  21.664
  500    H    HIS  65           H        HIS  65  25.134  -3.810  19.999
  501    HA   HIS  65           HA       HIS  65  25.838  -6.240  18.575
  502   1HB   HIS  65          2HB       HIS  65  27.578  -4.567  19.201
  503   2HB   HIS  65          1HB       HIS  65  27.253  -4.901  20.897
  504    HD1  HIS  65           1HD      HIS  65  28.886  -6.455  21.885
  505    HD2  HIS  65           2HD      HIS  65  28.344  -7.171  17.823
  506    HE1  HIS  65           1HE      HIS  65  30.451  -8.338  21.311
  507    HE2  HIS  65           2HE      HIS  65  30.200  -8.672  18.828
  508    H    HIS  66           H        HIS  66  24.141  -7.579  19.170
  509    HA   HIS  66           HA       HIS  66  23.601  -7.985  22.008
  510   1HB   HIS  66          2HB       HIS  66  21.742  -7.564  20.404
  511   2HB   HIS  66          1HB       HIS  66  22.150  -9.063  19.583
  512    HD1  HIS  66           1HD      HIS  66  21.216 -11.200  20.528
  513    HD2  HIS  66           2HD      HIS  66  20.640  -7.926  23.028
  514    HE1  HIS  66           1HE      HIS  66  19.636 -11.985  22.327
  515    HE2  HIS  66           2HE      HIS  66  19.202  -9.948  23.753
  516    H    HIS  67           H        HIS  67  24.056  -9.812  23.088
  517    HA   HIS  67           HA       HIS  67  25.924 -11.652  22.000
  518   1HB   HIS  67          2HB       HIS  67  26.019 -11.157  24.351
  519   2HB   HIS  67          1HB       HIS  67  24.341 -11.630  24.579
  520    HD1  HIS  67           1HD      HIS  67  27.795 -13.012  24.361
  521    HD2  HIS  67           2HD      HIS  67  23.893 -14.409  24.698
  522    HE1  HIS  67           1HE      HIS  67  27.995 -15.436  24.993
  523    HE2  HIS  67           2HE      HIS  67  25.617 -16.210  25.360
  524    H    HIS  68           H        HIS  68  25.639 -13.573  21.063
  525    HA   HIS  68           HA       HIS  68  22.972 -14.796  21.136
  526   1HB   HIS  68          2HB       HIS  68  23.288 -15.387  18.677
  527   2HB   HIS  68          1HB       HIS  68  22.872 -13.721  19.046
  528    HD1  HIS  68           1HD      HIS  68  25.555 -15.834  17.551
  529    HD2  HIS  68           2HD      HIS  68  24.906 -11.843  18.523
  530    HE1  HIS  68           1HE      HIS  68  27.342 -14.544  16.352
  531    HE2  HIS  68           2HE      HIS  68  26.756 -12.124  16.742
  532    H    HIS  69           H        HIS  69  23.443 -16.932  19.478
  533    HA   HIS  69           HA       HIS  69  24.327 -19.011  19.356
  534   1HB   HIS  69          2HB       HIS  69  26.547 -17.890  19.171
  535   2HB   HIS  69          1HB       HIS  69  26.697 -17.977  20.922
  536    HD1  HIS  69           1HD      HIS  69  26.142 -20.403  18.034
  537    HD2  HIS  69           2HD      HIS  69  28.000 -20.196  21.749
  538    HE1  HIS  69           1HE      HIS  69  27.361 -22.585  18.303
  539    HE2  HIS  69           2HE      HIS  69  28.657 -22.342  20.456
  540    H    HIS  70           H        HIS  70  24.924 -17.578  22.557
  541    HA   HIS  70           HA       HIS  70  23.212 -19.617  23.723
  542   1HB   HIS  70          2HB       HIS  70  25.532 -20.564  23.810
  543   2HB   HIS  70          1HB       HIS  70  26.019 -19.177  24.778
  544    HD1  HIS  70           1HD      HIS  70  25.225 -19.105  27.244
  545    HD2  HIS  70           2HD      HIS  70  24.017 -22.496  25.161
  546    HE1  HIS  70           1HE      HIS  70  24.411 -20.719  28.988
  547    HE2  HIS  70           2HE      HIS  70  23.808 -22.814  27.723
  Start of MODEL    2
    1   1H    MET   1          1H        MET   1 -10.767 -14.083  -5.840
    2   2H    MET   1          2H        MET   1 -11.613 -13.007  -6.840
    3   3H    MET   1          3H        MET   1 -11.924 -13.035  -5.176
    4    HA   MET   1           HA       MET   1 -10.563 -11.130  -5.869
    5   1HB   MET   1          2HB       MET   1 -10.471 -12.220  -3.581
    6   2HB   MET   1          1HB       MET   1  -9.041 -13.079  -4.127
    7   1HG   MET   1          2HG       MET   1  -8.476 -11.115  -2.800
    8   2HG   MET   1          1HG       MET   1  -7.875 -10.982  -4.455
    9   1HE   MET   1          1HE       MET   1  -7.486  -8.358  -4.119
   10   2HE   MET   1          2HE       MET   1  -8.060  -8.521  -2.459
   11   3HE   MET   1          3HE       MET   1  -8.731  -7.269  -3.509
   12    H    GLU   2           H        GLU   2 -10.234 -13.253  -7.946
   13    HA   GLU   2           HA       GLU   2  -7.348 -13.452  -8.258
   14   1HB   GLU   2          2HB       GLU   2  -9.585 -14.557  -9.969
   15   2HB   GLU   2          1HB       GLU   2  -7.875 -14.882 -10.198
   16   1HG   GLU   2          2HG       GLU   2  -8.706 -16.771  -9.107
   17   2HG   GLU   2          1HG       GLU   2  -7.896 -15.845  -7.846
   18    H    SER   3           H        SER   3  -6.647 -13.180 -10.691
   19    HA   SER   3           HA       SER   3  -6.146 -11.739 -12.366
   20   1HB   SER   3          2HB       SER   3  -8.929 -10.627 -11.926
   21   2HB   SER   3          1HB       SER   3  -7.917 -10.360 -13.345
   22    HG   SER   3           HG       SER   3  -9.484 -12.506 -12.684
   23    H    ARG   4           H        ARG   4  -6.244 -10.964  -9.306
   24    HA   ARG   4           HA       ARG   4  -6.039  -8.090  -9.400
   25   1HB   ARG   4          2HB       ARG   4  -6.921  -9.235  -7.406
   26   2HB   ARG   4          1HB       ARG   4  -5.391 -10.070  -7.194
   27   1HG   ARG   4          2HG       ARG   4  -5.248  -8.377  -5.646
   28   2HG   ARG   4          1HG       ARG   4  -4.388  -7.692  -7.022
   29   1HD   ARG   4          2HD       ARG   4  -7.219  -7.107  -6.162
   30   2HD   ARG   4          1HD       ARG   4  -5.837  -6.021  -6.070
   31    HE   ARG   4           HE       ARG   4  -7.521  -6.503  -8.333
   32   1HH1  ARG   4          1HH1      ARG   4  -4.214  -5.689  -7.451
   33   2HH1  ARG   4          2HH1      ARG   4  -3.940  -4.766  -8.886
   34   1HH2  ARG   4          1HH2      ARG   4  -7.157  -5.228 -10.189
   35   2HH2  ARG   4          2HH2      ARG   4  -5.594  -4.520 -10.449
   36    H    LEU   5           H        LEU   5  -4.060 -10.473 -10.450
   37    HA   LEU   5           HA       LEU   5  -1.551  -9.698  -9.360
   38   1HB   LEU   5          2HB       LEU   5  -2.293 -11.343 -11.768
   39   2HB   LEU   5          1HB       LEU   5  -0.627 -11.016 -11.333
   40    HG   LEU   5           HG       LEU   5  -1.156 -12.071  -9.073
   41   1HD1  LEU   5          1HD1      LEU   5  -3.021 -13.663  -9.044
   42   2HD1  LEU   5          2HD1      LEU   5  -3.567 -13.040 -10.603
   43   3HD1  LEU   5          3HD1      LEU   5  -3.579 -11.995  -9.181
   44   1HD2  LEU   5          1HD2      LEU   5  -0.864 -14.338  -9.942
   45   2HD2  LEU   5          2HD2      LEU   5   0.180 -13.181 -10.768
   46   3HD2  LEU   5          3HD2      LEU   5  -1.283 -13.770 -11.559
   47    H    LEU   6           H        LEU   6  -3.546  -8.205 -11.596
   48    HA   LEU   6           HA       LEU   6  -1.302  -6.664 -12.692
   49   1HB   LEU   6          2HB       LEU   6  -4.220  -6.662 -13.489
   50   2HB   LEU   6          1HB       LEU   6  -2.970  -5.679 -14.228
   51    HG   LEU   6           HG       LEU   6  -3.133  -8.694 -14.299
   52   1HD1  LEU   6          1HD1      LEU   6  -4.779  -7.592 -15.723
   53   2HD1  LEU   6          2HD1      LEU   6  -3.529  -8.380 -16.684
   54   3HD1  LEU   6          3HD1      LEU   6  -3.500  -6.631 -16.466
   55   1HD2  LEU   6          1HD2      LEU   6  -1.218  -8.554 -15.829
   56   2HD2  LEU   6          2HD2      LEU   6  -0.819  -7.961 -14.215
   57   3HD2  LEU   6          3HD2      LEU   6  -1.115  -6.818 -15.528
   58    H    ASP   7           H        ASP   7  -0.842  -5.568 -10.767
   59    HA   ASP   7           HA       ASP   7  -2.926  -4.154  -9.380
   60   1HB   ASP   7          2HB       ASP   7   0.059  -4.251  -8.929
   61   2HB   ASP   7          1HB       ASP   7  -1.071  -3.377  -7.898
   62    H    ILE   8           H        ILE   8  -3.644  -2.797 -11.013
   63    HA   ILE   8           HA       ILE   8  -1.972  -0.395 -11.350
   64    HB   ILE   8           HB       ILE   8  -3.379   0.132 -13.341
   65   1HG1  ILE   8          2HG1      ILE   8  -4.363  -2.714 -13.004
   66   2HG1  ILE   8          1HG1      ILE   8  -5.324  -1.268 -12.694
   67   1HG2  ILE   8          1HG2      ILE   8  -2.308  -1.501 -14.841
   68   2HG2  ILE   8          2HG2      ILE   8  -1.869  -2.477 -13.439
   69   3HG2  ILE   8          3HG2      ILE   8  -1.190  -0.862 -13.636
   70   1HD1  ILE   8          1HD1      ILE   8  -4.183  -2.116 -15.353
   71   2HD1  ILE   8          2HD1      ILE   8  -5.115  -0.647 -15.054
   72   3HD1  ILE   8          3HD1      ILE   8  -5.869  -2.227 -14.845
   73    H    LEU   9           H        LEU   9  -3.813  -1.277  -9.199
   74    HA   LEU   9           HA       LEU   9  -6.248   0.141  -9.277
   75   1HB   LEU   9          2HB       LEU   9  -5.336  -1.742  -7.684
   76   2HB   LEU   9          1HB       LEU   9  -4.753  -0.393  -6.734
   77    HG   LEU   9           HG       LEU   9  -7.656  -0.711  -7.492
   78   1HD1  LEU   9          1HD1      LEU   9  -6.904  -2.659  -6.202
   79   2HD1  LEU   9          2HD1      LEU   9  -8.019  -1.645  -5.286
   80   3HD1  LEU   9          3HD1      LEU   9  -6.289  -1.580  -4.948
   81   1HD2  LEU   9          1HD2      LEU   9  -6.268   0.915  -5.361
   82   2HD2  LEU   9          2HD2      LEU   9  -8.013   0.798  -5.593
   83   3HD2  LEU   9          3HD2      LEU   9  -7.006   1.542  -6.836
   84    H    VAL  10           H        VAL  10  -6.706   2.246  -8.877
   85    HA   VAL  10           HA       VAL  10  -4.410   3.980  -8.276
   86    HB   VAL  10           HB       VAL  10  -5.662   5.780  -9.422
   87   1HG1  VAL  10          1HG1      VAL  10  -3.978   4.531 -10.634
   88   2HG1  VAL  10          2HG1      VAL  10  -5.317   4.944 -11.706
   89   3HG1  VAL  10          3HG1      VAL  10  -5.169   3.305 -11.071
   90   1HG2  VAL  10          1HG2      VAL  10  -7.590   5.238 -10.805
   91   2HG2  VAL  10          2HG2      VAL  10  -7.926   4.914  -9.104
   92   3HG2  VAL  10          3HG2      VAL  10  -7.574   3.582 -10.205
   93    H    CYS  11           H        CYS  11  -4.745   5.854  -6.998
   94    HA   CYS  11           HA       CYS  11  -6.440   5.597  -4.747
   95   1HB   CYS  11          2HB       CYS  11  -4.390   6.882  -4.605
   96   2HB   CYS  11          1HB       CYS  11  -4.934   7.968  -5.877
   97    HG   CYS  11           HG       CYS  11  -4.951   9.241  -3.343
   98    HA   PRO  12           HA       PRO  12 -10.221   7.018  -6.565
   99   1HB   PRO  12          2HB       PRO  12 -11.570   7.633  -4.276
  100   2HB   PRO  12          1HB       PRO  12 -11.332   5.978  -4.848
  101   1HG   PRO  12          2HG       PRO  12  -9.833   7.492  -2.752
  102   2HG   PRO  12          1HG       PRO  12 -10.380   5.805  -2.744
  103   1HD   PRO  12          2HD       PRO  12  -7.818   6.495  -3.291
  104   2HD   PRO  12          1HD       PRO  12  -8.607   5.090  -4.035
  105    H    VAL  13           H        VAL  13  -8.169   8.939  -4.608
  106    HA   VAL  13           HA       VAL  13  -9.747  11.365  -5.011
  107    HB   VAL  13           HB       VAL  13  -7.146  11.052  -3.504
  108   1HG1  VAL  13          1HG1      VAL  13  -9.213  13.245  -3.495
  109   2HG1  VAL  13          2HG1      VAL  13  -7.597  13.334  -4.195
  110   3HG1  VAL  13          3HG1      VAL  13  -7.795  13.170  -2.450
  111   1HG2  VAL  13          1HG2      VAL  13  -8.878   9.646  -2.514
  112   2HG2  VAL  13          2HG2      VAL  13  -9.971  11.030  -2.445
  113   3HG2  VAL  13          3HG2      VAL  13  -8.500  11.014  -1.470
  114    H    CYS  14           H        CYS  14  -6.289  10.511  -5.338
  115    HA   CYS  14           HA       CYS  14  -5.976  12.727  -7.197
  116   1HB   CYS  14          2HB       CYS  14  -3.846  10.878  -6.123
  117   2HB   CYS  14          1HB       CYS  14  -3.614  12.458  -6.862
  118    HG   CYS  14           HG       CYS  14  -4.074  11.685  -3.714
  119    H    LYS  15           H        LYS  15  -6.753   9.536  -7.480
  120    HA   LYS  15           HA       LYS  15  -6.596   7.904  -9.021
  121   1HB   LYS  15          2HB       LYS  15  -6.400  10.353 -10.753
  122   2HB   LYS  15          1HB       LYS  15  -6.513   8.728 -11.420
  123   1HG   LYS  15          2HG       LYS  15  -8.528  10.074  -9.632
  124   2HG   LYS  15          1HG       LYS  15  -8.694   9.749 -11.355
  125   1HD   LYS  15          2HD       LYS  15  -8.425   7.305 -10.817
  126   2HD   LYS  15          1HD       LYS  15  -8.542   7.745  -9.113
  127   1HE   LYS  15          2HE       LYS  15 -10.704   7.054  -9.797
  128   2HE   LYS  15          1HE       LYS  15 -10.753   8.810  -9.647
  129   1HZ   LYS  15          1HZ       LYS  15 -11.859   8.047 -11.659
  130   2HZ   LYS  15          2HZ       LYS  15 -10.427   7.305 -12.191
  131   3HZ   LYS  15          3HZ       LYS  15 -10.503   8.994 -12.040
  132    H    GLY  16           H        GLY  16  -4.056   8.871  -7.789
  133   1HA   GLY  16          2HA       GLY  16  -2.048   8.268  -9.766
  134   2HA   GLY  16          1HA       GLY  16  -1.787   8.482  -8.036
  135    H    ARG  17           H        ARG  17  -0.851   6.368  -9.927
  136    HA   ARG  17           HA       ARG  17  -2.310   3.989  -9.333
  137   1HB   ARG  17          2HB       ARG  17   0.340   4.561 -10.605
  138   2HB   ARG  17          1HB       ARG  17  -0.048   2.916 -10.120
  139   1HG   ARG  17          2HG       ARG  17  -0.585   3.186 -12.434
  140   2HG   ARG  17          1HG       ARG  17  -2.087   3.032 -11.524
  141   1HD   ARG  17          2HD       ARG  17  -2.355   4.768 -13.157
  142   2HD   ARG  17          1HD       ARG  17  -2.294   5.508 -11.558
  143    HE   ARG  17           HE       ARG  17   0.183   5.381 -13.117
  144   1HH1  ARG  17          1HH1      ARG  17  -2.476   7.294 -11.853
  145   2HH1  ARG  17          2HH1      ARG  17  -1.697   8.810 -12.172
  146   1HH2  ARG  17          1HH2      ARG  17   1.198   7.392 -13.536
  147   2HH2  ARG  17          2HH2      ARG  17   0.373   8.870 -13.127
  148    H    LEU  18           H        LEU  18  -2.158   2.634  -7.680
  149    HA   LEU  18           HA       LEU  18  -0.409   3.349  -5.477
  150   1HB   LEU  18          2HB       LEU  18  -2.406   1.088  -5.619
  151   2HB   LEU  18          1HB       LEU  18  -1.686   1.775  -4.176
  152    HG   LEU  18           HG       LEU  18  -3.682   3.116  -6.001
  153   1HD1  LEU  18          1HD1      LEU  18  -5.146   3.050  -4.071
  154   2HD1  LEU  18          2HD1      LEU  18  -3.894   2.243  -3.126
  155   3HD1  LEU  18          3HD1      LEU  18  -4.625   1.423  -4.507
  156   1HD2  LEU  18          1HD2      LEU  18  -2.031   4.722  -5.166
  157   2HD2  LEU  18          2HD2      LEU  18  -2.366   4.198  -3.516
  158   3HD2  LEU  18          3HD2      LEU  18  -3.626   4.987  -4.464
  159    H    GLU  19           H        GLU  19   0.526   1.331  -4.265
  160    HA   GLU  19           HA       GLU  19   1.760  -0.478  -6.224
  161   1HB   GLU  19          2HB       GLU  19   3.057   1.696  -5.084
  162   2HB   GLU  19          1HB       GLU  19   3.598   0.335  -4.118
  163   1HG   GLU  19          2HG       GLU  19   3.658   0.092  -7.077
  164   2HG   GLU  19          1HG       GLU  19   4.874   1.093  -6.288
  165    H    PHE  20           H        PHE  20   1.048  -2.370  -5.602
  166    HA   PHE  20           HA       PHE  20   0.318  -2.921  -2.878
  167   1HB   PHE  20          2HB       PHE  20  -1.012  -3.824  -4.746
  168   2HB   PHE  20          1HB       PHE  20   0.378  -4.756  -5.288
  169    HD1  PHE  20           1HD      PHE  20  -1.946  -4.319  -2.430
  170    HD2  PHE  20           2HD      PHE  20   0.762  -6.901  -4.457
  171    HE1  PHE  20           1HE      PHE  20  -2.652  -6.180  -0.989
  172    HE2  PHE  20           2HE      PHE  20   0.061  -8.771  -3.015
  173    HZ   PHE  20           HZ       PHE  20  -1.650  -8.410  -1.279
  174    H    GLN  21           H        GLN  21   1.890  -3.247  -1.457
  175    HA   GLN  21           HA       GLN  21   4.324  -4.597  -2.274
  176   1HB   GLN  21          2HB       GLN  21   3.481  -3.236   0.278
  177   2HB   GLN  21          1HB       GLN  21   4.994  -4.117   0.126
  178   1HG   GLN  21          2HG       GLN  21   4.200  -1.808  -1.627
  179   2HG   GLN  21          1HG       GLN  21   5.201  -1.664  -0.184
  180   1HE2  GLN  21          1HE2      GLN  21   6.930  -0.872  -1.388
  181   2HE2  GLN  21          2HE2      GLN  21   7.886  -1.888  -2.402
  182    H    ARG  22           H        ARG  22   4.967  -6.561  -1.609
  183    HA   ARG  22           HA       ARG  22   2.863  -8.283  -0.559
  184   1HB   ARG  22          2HB       ARG  22   5.499  -8.877  -1.914
  185   2HB   ARG  22          1HB       ARG  22   4.496 -10.130  -1.200
  186   1HG   ARG  22          2HG       ARG  22   3.964 -10.162  -3.475
  187   2HG   ARG  22          1HG       ARG  22   2.631  -9.290  -2.717
  188   1HD   ARG  22          2HD       ARG  22   3.776  -7.157  -3.337
  189   2HD   ARG  22          1HD       ARG  22   4.954  -8.111  -4.237
  190    HE   ARG  22           HE       ARG  22   2.337  -8.762  -5.078
  191   1HH1  ARG  22          1HH1      ARG  22   4.755  -6.252  -5.331
  192   2HH1  ARG  22          2HH1      ARG  22   4.111  -5.588  -6.801
  193   1HH2  ARG  22          1HH2      ARG  22   1.485  -7.919  -7.026
  194   2HH2  ARG  22          2HH2      ARG  22   2.245  -6.544  -7.760
  195    H    ALA  23           H        ALA  23   4.128  -6.447   1.213
  196    HA   ALA  23           HA       ALA  23   5.817  -8.142   2.898
  197   1HB   ALA  23          1HB       ALA  23   6.562  -5.839   2.444
  198   2HB   ALA  23          2HB       ALA  23   6.298  -6.136   4.163
  199   3HB   ALA  23          3HB       ALA  23   5.104  -5.231   3.232
  200    H    GLN  24           H        GLN  24   3.121  -5.866   3.462
  201    HA   GLN  24           HA       GLN  24   2.006  -7.830   5.370
  202   1HB   GLN  24          2HB       GLN  24   2.964  -5.799   6.455
  203   2HB   GLN  24          1HB       GLN  24   1.851  -4.811   5.521
  204   1HG   GLN  24          2HG       GLN  24  -0.023  -6.071   6.619
  205   2HG   GLN  24          1HG       GLN  24   1.185  -6.793   7.680
  206   1HE2  GLN  24          1HE2      GLN  24  -0.455  -3.868   6.775
  207   2HE2  GLN  24          2HE2      GLN  24  -0.014  -2.941   8.166
  208    H    ALA  25           H        ALA  25   1.671  -6.708   2.426
  209    HA   ALA  25           HA       ALA  25   0.032  -6.587   0.875
  210   1HB   ALA  25          1HB       ALA  25  -2.251  -7.328   1.360
  211   2HB   ALA  25          2HB       ALA  25  -1.865  -7.405   3.079
  212   3HB   ALA  25          3HB       ALA  25  -1.061  -8.490   1.946
  213    H    GLU  26           H        GLU  26   0.886  -4.345   1.385
  214    HA   GLU  26           HA       GLU  26  -1.391  -2.622   2.099
  215   1HB   GLU  26          2HB       GLU  26   0.312  -0.898   2.693
  216   2HB   GLU  26          1HB       GLU  26   0.347  -2.315   3.728
  217   1HG   GLU  26          2HG       GLU  26   2.192  -2.120   1.384
  218   2HG   GLU  26          1HG       GLU  26   2.564  -1.275   2.884
  219    H    LEU  27           H        LEU  27  -1.933  -0.967   0.743
  220    HA   LEU  27           HA       LEU  27  -0.626  -0.915  -1.872
  221   1HB   LEU  27          2HB       LEU  27  -3.102   0.534  -0.923
  222   2HB   LEU  27          1HB       LEU  27  -2.500   0.508  -2.564
  223    HG   LEU  27           HG       LEU  27  -3.435  -1.955  -1.091
  224   1HD1  LEU  27          1HD1      LEU  27  -4.902  -0.254  -3.103
  225   2HD1  LEU  27          2HD1      LEU  27  -5.278  -0.376  -1.384
  226   3HD1  LEU  27          3HD1      LEU  27  -5.465  -1.784  -2.432
  227   1HD2  LEU  27          1HD2      LEU  27  -1.852  -2.398  -2.891
  228   2HD2  LEU  27          2HD2      LEU  27  -2.825  -1.434  -4.000
  229   3HD2  LEU  27          3HD2      LEU  27  -3.471  -2.934  -3.340
  230    H    VAL  28           H        VAL  28   1.198   0.236  -1.744
  231    HA   VAL  28           HA       VAL  28   1.349   2.653  -0.166
  232    HB   VAL  28           HB       VAL  28   3.358   1.437  -2.071
  233   1HG1  VAL  28          1HG1      VAL  28   3.759   3.819  -1.741
  234   2HG1  VAL  28          2HG1      VAL  28   5.002   2.863  -0.932
  235   3HG1  VAL  28          3HG1      VAL  28   3.702   3.598   0.008
  236   1HG2  VAL  28          1HG2      VAL  28   4.477   0.626  -0.043
  237   2HG2  VAL  28          2HG2      VAL  28   2.858  -0.050  -0.211
  238   3HG2  VAL  28          3HG2      VAL  28   3.154   1.258   0.933
  239    H    CYS  29           H        CYS  29   0.353   4.403  -0.932
  240    HA   CYS  29           HA       CYS  29  -0.066   4.905  -3.717
  241   1HB   CYS  29          2HB       CYS  29  -0.243   6.963  -1.513
  242   2HB   CYS  29          1HB       CYS  29  -1.139   6.907  -3.025
  243    HG   CYS  29           HG       CYS  29  -3.184   6.161  -1.622
  244    H    ASN  30           H        ASN  30   1.667   5.299  -4.983
  245    HA   ASN  30           HA       ASN  30   4.003   6.601  -3.887
  246   1HB   ASN  30          2HB       ASN  30   3.381   5.390  -6.576
  247   2HB   ASN  30          1HB       ASN  30   4.841   6.338  -6.322
  248   1HD2  ASN  30          1HD2      ASN  30   3.411   4.263  -3.887
  249   2HD2  ASN  30          2HD2      ASN  30   4.685   3.099  -3.870
  250    H    ALA  31           H        ALA  31   1.279   7.926  -4.569
  251    HA   ALA  31           HA       ALA  31   2.513  10.344  -5.701
  252   1HB   ALA  31          1HB       ALA  31   0.405  10.911  -6.766
  253   2HB   ALA  31          2HB       ALA  31  -0.343   9.452  -6.121
  254   3HB   ALA  31          3HB       ALA  31   0.944   9.326  -7.322
  255    H    ASP  32           H        ASP  32  -0.259   9.146  -3.836
  256    HA   ASP  32           HA       ASP  32  -0.694  11.551  -2.396
  257   1HB   ASP  32          2HB       ASP  32  -1.493   8.768  -1.523
  258   2HB   ASP  32          1HB       ASP  32  -2.272  10.291  -1.111
  259    H    ARG  33           H        ARG  33   1.503   8.946  -2.057
  260    HA   ARG  33           HA       ARG  33   2.972   8.245  -0.505
  261   1HB   ARG  33          2HB       ARG  33   2.704  11.089   0.464
  262   2HB   ARG  33          1HB       ARG  33   3.889   9.944   1.085
  263   1HG   ARG  33          2HG       ARG  33   4.549   9.686  -1.418
  264   2HG   ARG  33          1HG       ARG  33   3.724  11.235  -1.598
  265   1HD   ARG  33          2HD       ARG  33   5.964  10.677   0.334
  266   2HD   ARG  33          1HD       ARG  33   6.154  11.454  -1.235
  267    HE   ARG  33           HE       ARG  33   4.580  12.610   0.980
  268   1HH1  ARG  33          1HH1      ARG  33   6.636  12.939  -1.832
  269   2HH1  ARG  33          2HH1      ARG  33   6.871  14.655  -1.617
  270   1HH2  ARG  33          1HH2      ARG  33   4.873  14.857   1.274
  271   2HH2  ARG  33          2HH2      ARG  33   5.849  15.740   0.135
  272    H    LEU  34           H        LEU  34   0.757   7.189  -0.069
  273    HA   LEU  34           HA       LEU  34   0.307   7.292   2.830
  274   1HB   LEU  34          2HB       LEU  34  -1.849   7.100   0.714
  275   2HB   LEU  34          1HB       LEU  34  -2.110   6.860   2.429
  276    HG   LEU  34           HG       LEU  34  -1.153   9.444   1.208
  277   1HD1  LEU  34          1HD1      LEU  34  -3.412   8.952   0.466
  278   2HD1  LEU  34          2HD1      LEU  34  -3.426  10.257   1.654
  279   3HD1  LEU  34          3HD1      LEU  34  -3.906   8.627   2.129
  280   1HD2  LEU  34          1HD2      LEU  34  -2.141   8.780   3.975
  281   2HD2  LEU  34          2HD2      LEU  34  -1.711  10.386   3.390
  282   3HD2  LEU  34          3HD2      LEU  34  -0.473   9.139   3.527
  283    H    ALA  35           H        ALA  35  -0.954   5.273   3.498
  284    HA   ALA  35           HA       ALA  35  -0.256   2.986   1.790
  285   1HB   ALA  35          1HB       ALA  35   0.193   3.125   4.770
  286   2HB   ALA  35          2HB       ALA  35   1.451   3.170   3.533
  287   3HB   ALA  35          3HB       ALA  35   0.472   1.718   3.746
  288    H    PHE  36           H        PHE  36  -2.209   2.282   1.182
  289    HA   PHE  36           HA       PHE  36  -4.400   2.184   3.105
  290   1HB   PHE  36          2HB       PHE  36  -4.267   1.458   0.167
  291   2HB   PHE  36          1HB       PHE  36  -5.715   1.301   1.151
  292    HD1  PHE  36           2HD      PHE  36  -5.653   3.776   2.721
  293    HD2  PHE  36           1HD      PHE  36  -4.735   3.097  -1.379
  294    HE1  PHE  36           2HE      PHE  36  -6.237   6.110   2.207
  295    HE2  PHE  36           1HE      PHE  36  -5.321   5.428  -1.902
  296    HZ   PHE  36           HZ       PHE  36  -6.072   6.938  -0.106
  297    HA   PRO  37           HA       PRO  37  -2.963  -1.949   4.048
  298   1HB   PRO  37          2HB       PRO  37  -4.944  -1.972   6.160
  299   2HB   PRO  37          1HB       PRO  37  -3.188  -1.886   6.297
  300   1HG   PRO  37          2HG       PRO  37  -4.860   0.172   6.947
  301   2HG   PRO  37          1HG       PRO  37  -3.183   0.397   6.419
  302   1HD   PRO  37          2HD       PRO  37  -5.721   0.689   4.861
  303   2HD   PRO  37          1HD       PRO  37  -4.248   1.683   4.815
  304    H    VAL  38           H        VAL  38  -3.637  -3.723   3.023
  305    HA   VAL  38           HA       VAL  38  -6.449  -4.076   2.385
  306    HB   VAL  38           HB       VAL  38  -4.083  -5.851   1.747
  307   1HG1  VAL  38          1HG1      VAL  38  -6.189  -7.070   1.738
  308   2HG1  VAL  38          2HG1      VAL  38  -5.561  -6.886   0.100
  309   3HG1  VAL  38          3HG1      VAL  38  -6.892  -5.869   0.653
  310   1HG2  VAL  38          1HG2      VAL  38  -4.176  -4.903  -0.495
  311   2HG2  VAL  38          2HG2      VAL  38  -3.899  -3.637   0.702
  312   3HG2  VAL  38          3HG2      VAL  38  -5.501  -3.845  -0.007
  313    H    ARG  39           H        ARG  39  -7.688  -4.817   3.953
  314    HA   ARG  39           HA       ARG  39  -6.566  -6.674   5.918
  315   1HB   ARG  39          2HB       ARG  39  -7.672  -4.633   6.759
  316   2HB   ARG  39          1HB       ARG  39  -9.165  -5.128   5.977
  317   1HG   ARG  39          2HG       ARG  39  -9.365  -7.026   7.434
  318   2HG   ARG  39          1HG       ARG  39  -7.775  -6.706   8.133
  319   1HD   ARG  39          2HD       ARG  39  -8.596  -4.551   8.977
  320   2HD   ARG  39          1HD       ARG  39 -10.186  -4.902   8.305
  321    HE   ARG  39           HE       ARG  39 -10.442  -6.648   9.923
  322   1HH1  ARG  39          1HH1      ARG  39  -7.651  -4.597  10.394
  323   2HH1  ARG  39          2HH1      ARG  39  -7.457  -4.997  12.071
  324   1HH2  ARG  39          1HH2      ARG  39 -10.221  -7.173  12.150
  325   2HH2  ARG  39          2HH2      ARG  39  -8.938  -6.450  13.073
  326    H    ASP  40           H        ASP  40  -6.640  -8.641   5.059
  327    HA   ASP  40           HA       ASP  40  -7.426 -10.592   4.209
  328   1HB   ASP  40          2HB       ASP  40  -8.718 -10.423   6.363
  329   2HB   ASP  40          1HB       ASP  40 -10.066  -9.772   5.435
  330    H    GLY  41           H        GLY  41  -7.231  -8.916   2.235
  331   1HA   GLY  41          2HA       GLY  41  -7.915  -9.012  -0.001
  332   2HA   GLY  41          1HA       GLY  41  -9.444  -9.697   0.521
  333    H    VAL  42           H        VAL  42  -9.850  -7.515   2.499
  334    HA   VAL  42           HA       VAL  42 -11.013  -5.636   0.594
  335    HB   VAL  42           HB       VAL  42 -11.425  -5.813   3.588
  336   1HG1  VAL  42          1HG1      VAL  42 -12.977  -4.323   1.472
  337   2HG1  VAL  42          2HG1      VAL  42 -11.900  -3.602   2.667
  338   3HG1  VAL  42          3HG1      VAL  42 -13.381  -4.406   3.187
  339   1HG2  VAL  42          1HG2      VAL  42 -13.104  -6.894   1.328
  340   2HG2  VAL  42          2HG2      VAL  42 -13.580  -6.859   3.027
  341   3HG2  VAL  42          3HG2      VAL  42 -12.205  -7.837   2.517
  342    HA   PRO  43           HA       PRO  43  -7.573  -2.934   1.664
  343   1HB   PRO  43          2HB       PRO  43  -7.835  -1.267  -0.431
  344   2HB   PRO  43          1HB       PRO  43  -7.126  -2.877  -0.594
  345   1HG   PRO  43          2HG       PRO  43  -9.863  -1.930  -1.313
  346   2HG   PRO  43          1HG       PRO  43  -8.815  -3.084  -2.157
  347   1HD   PRO  43          2HD       PRO  43 -10.919  -3.775  -0.502
  348   2HD   PRO  43          1HD       PRO  43  -9.560  -4.838  -0.911
  349    H    ILE  44           H        ILE  44  -7.796  -1.487   3.240
  350    HA   ILE  44           HA       ILE  44 -10.169   0.127   3.498
  351    HB   ILE  44           HB       ILE  44  -7.579   0.324   5.052
  352   1HG1  ILE  44          2HG1      ILE  44  -8.537  -1.909   5.273
  353   2HG1  ILE  44          1HG1      ILE  44  -8.735  -1.014   6.775
  354   1HG2  ILE  44          1HG2      ILE  44 -10.345   1.356   5.672
  355   2HG2  ILE  44          2HG2      ILE  44  -8.939   2.328   5.229
  356   3HG2  ILE  44          3HG2      ILE  44  -8.952   1.439   6.754
  357   1HD1  ILE  44          1HD1      ILE  44 -10.723  -2.306   6.228
  358   2HD1  ILE  44          2HD1      ILE  44 -10.870  -1.448   4.694
  359   3HD1  ILE  44          3HD1      ILE  44 -11.063  -0.576   6.215
  360    H    MET  45           H        MET  45 -10.284   1.445   1.733
  361    HA   MET  45           HA       MET  45  -7.956   3.011   0.954
  362   1HB   MET  45          2HB       MET  45 -10.676   2.741  -0.341
  363   2HB   MET  45          1HB       MET  45  -9.315   3.628  -1.014
  364   1HG   MET  45          2HG       MET  45  -8.029   1.570  -1.160
  365   2HG   MET  45          1HG       MET  45  -9.370   0.670  -0.453
  366   1HE   MET  45          1HE       MET  45  -7.987   2.536  -3.583
  367   2HE   MET  45          2HE       MET  45  -9.348   3.565  -3.141
  368   3HE   MET  45          3HE       MET  45  -9.402   2.627  -4.632
  369    H    LEU  46           H        LEU  46  -9.836   3.474   3.357
  370    HA   LEU  46           HA       LEU  46 -10.860   6.120   2.892
  371   1HB   LEU  46          2HB       LEU  46 -10.414   4.605   5.468
  372   2HB   LEU  46          1HB       LEU  46 -11.253   6.139   5.339
  373    HG   LEU  46           HG       LEU  46 -12.156   3.542   4.088
  374   1HD1  LEU  46          1HD1      LEU  46 -13.211   5.051   6.475
  375   2HD1  LEU  46          2HD1      LEU  46 -12.359   3.507   6.509
  376   3HD1  LEU  46          3HD1      LEU  46 -13.947   3.621   5.751
  377   1HD2  LEU  46          1HD2      LEU  46 -13.523   6.230   4.224
  378   2HD2  LEU  46          2HD2      LEU  46 -14.212   4.744   3.566
  379   3HD2  LEU  46          3HD2      LEU  46 -12.825   5.497   2.779
  380    H    GLU  47           H        GLU  47  -9.453   7.712   2.538
  381    HA   GLU  47           HA       GLU  47  -6.726   7.488   3.317
  382   1HB   GLU  47          2HB       GLU  47  -7.002  10.096   2.497
  383   2HB   GLU  47          1HB       GLU  47  -6.603   8.730   1.469
  384   1HG   GLU  47          2HG       GLU  47  -8.349  10.006   0.450
  385   2HG   GLU  47          1HG       GLU  47  -8.994   8.451   0.960
  386    H    ALA  48           H        ALA  48  -9.453   8.730   4.934
  387    HA   ALA  48           HA       ALA  48  -7.895  10.536   6.601
  388   1HB   ALA  48          1HB       ALA  48 -10.201  11.121   5.974
  389   2HB   ALA  48          2HB       ALA  48  -9.985  11.020   7.723
  390   3HB   ALA  48          3HB       ALA  48 -10.783   9.707   6.855
  391    H    GLU  49           H        GLU  49  -8.717   7.253   6.519
  392    HA   GLU  49           HA       GLU  49  -8.186   6.930   9.400
  393   1HB   GLU  49          2HB       GLU  49  -9.813   5.222   7.513
  394   2HB   GLU  49          1HB       GLU  49  -9.358   4.709   9.131
  395   1HG   GLU  49          2HG       GLU  49 -10.933   7.208   8.569
  396   2HG   GLU  49          1HG       GLU  49 -11.667   5.638   8.896
  397    H    ALA  50           H        ALA  50  -6.539   6.892   6.710
  398    HA   ALA  50           HA       ALA  50  -5.318   4.247   6.986
  399   1HB   ALA  50          1HB       ALA  50  -5.986   4.927   4.736
  400   2HB   ALA  50          2HB       ALA  50  -4.241   4.715   4.848
  401   3HB   ALA  50          3HB       ALA  50  -4.933   6.335   4.843
  402    H    ARG  51           H        ARG  51  -2.861   4.328   6.458
  403    HA   ARG  51           HA       ARG  51  -1.654   6.138   8.417
  404   1HB   ARG  51          2HB       ARG  51  -1.266   3.655   8.558
  405   2HB   ARG  51          1HB       ARG  51  -0.410   3.754   7.027
  406   1HG   ARG  51          2HG       ARG  51   1.138   5.403   8.127
  407   2HG   ARG  51          1HG       ARG  51   0.369   4.975   9.657
  408   1HD   ARG  51          2HD       ARG  51   0.957   2.606   9.231
  409   2HD   ARG  51          1HD       ARG  51   1.823   3.116   7.783
  410    HE   ARG  51           HE       ARG  51   2.713   3.327  10.508
  411   1HH1  ARG  51          1HH1      ARG  51   3.026   4.737   7.304
  412   2HH1  ARG  51          2HH1      ARG  51   4.626   5.356   7.594
  413   1HH2  ARG  51          1HH2      ARG  51   4.807   4.135  10.876
  414   2HH2  ARG  51          2HH2      ARG  51   5.645   5.002   9.616
  415    H    SER  52           H        SER  52  -0.180   7.687   7.842
  416    HA   SER  52           HA       SER  52   0.112   8.144   4.988
  417   1HB   SER  52          2HB       SER  52  -0.601  10.041   6.201
  418   2HB   SER  52          1HB       SER  52   0.688   9.867   7.382
  419    HG   SER  52           HG       SER  52   0.841  11.471   5.505
  420    H    LEU  53           H        LEU  53   2.081   8.624   4.024
  421    HA   LEU  53           HA       LEU  53   4.458   7.529   5.403
  422   1HB   LEU  53          2HB       LEU  53   3.923   7.692   2.427
  423   2HB   LEU  53          1HB       LEU  53   5.355   7.014   3.177
  424    HG   LEU  53           HG       LEU  53   2.561   5.893   3.419
  425   1HD1  LEU  53          1HD1      LEU  53   3.395   4.085   2.020
  426   2HD1  LEU  53          2HD1      LEU  53   4.954   4.899   1.879
  427   3HD1  LEU  53          3HD1      LEU  53   3.509   5.632   1.182
  428   1HD2  LEU  53          1HD2      LEU  53   3.925   5.476   5.404
  429   2HD2  LEU  53          2HD2      LEU  53   5.204   4.813   4.388
  430   3HD2  LEU  53          3HD2      LEU  53   3.647   3.994   4.489
  431    H    ASP  54           H        ASP  54   2.890  10.202   4.444
  432    HA   ASP  54           HA       ASP  54   5.217  11.786   3.704
  433   1HB   ASP  54          2HB       ASP  54   3.294  12.284   2.407
  434   2HB   ASP  54          1HB       ASP  54   2.251  12.312   3.822
  435    H    ALA  55           H        ALA  55   3.010  11.219   6.336
  436    HA   ALA  55           HA       ALA  55   4.564  13.100   7.978
  437   1HB   ALA  55          1HB       ALA  55   2.561  13.435   9.345
  438   2HB   ALA  55          2HB       ALA  55   1.650  12.391   8.252
  439   3HB   ALA  55          3HB       ALA  55   2.307  13.922   7.670
  440    H    GLU  56           H        GLU  56   6.027  11.533   8.653
  441    HA   GLU  56           HA       GLU  56   5.230  10.186  11.029
  442   1HB   GLU  56          2HB       GLU  56   5.795   7.915  10.437
  443   2HB   GLU  56          1HB       GLU  56   4.551   8.483   9.334
  444   1HG   GLU  56          2HG       GLU  56   6.121   8.736   7.569
  445   2HG   GLU  56          1HG       GLU  56   7.481   8.475   8.661
  446    H    ALA  57           H        ALA  57   7.331   8.619  11.578
  447    HA   ALA  57           HA       ALA  57   9.559  10.517  11.494
  448   1HB   ALA  57          1HB       ALA  57   8.904   9.760  13.705
  449   2HB   ALA  57          2HB       ALA  57  10.507   9.129  13.314
  450   3HB   ALA  57          3HB       ALA  57   9.094   8.081  13.211
  451    HA   PRO  58           HA       PRO  58  11.725   8.252   8.361
  452   1HB   PRO  58          2HB       PRO  58  14.139   9.021   9.925
  453   2HB   PRO  58          1HB       PRO  58  13.777   9.275   8.214
  454   1HG   PRO  58          2HG       PRO  58  13.640  11.301   9.934
  455   2HG   PRO  58          1HG       PRO  58  12.447  11.128   8.632
  456   1HD   PRO  58          2HD       PRO  58  12.177  10.514  11.546
  457   2HD   PRO  58          1HD       PRO  58  10.991  11.219  10.424
  458    H    ALA  59           H        ALA  59  12.025   6.137   8.220
  459    HA   ALA  59           HA       ALA  59  12.487   4.548  10.575
  460   1HB   ALA  59          1HB       ALA  59  12.177   2.631   9.095
  461   2HB   ALA  59          2HB       ALA  59  12.179   3.703   7.696
  462   3HB   ALA  59          3HB       ALA  59  10.883   3.810   8.887
  463    H    GLN  60           H        GLN  60  14.070   2.635  10.307
  464    HA   GLN  60           HA       GLN  60  16.679   3.794   9.806
  465   1HB   GLN  60          2HB       GLN  60  17.543   1.720  10.853
  466   2HB   GLN  60          1HB       GLN  60  16.397   2.572  11.875
  467   1HG   GLN  60          2HG       GLN  60  14.638   0.985  11.131
  468   2HG   GLN  60          1HG       GLN  60  15.876   0.094  10.248
  469   1HE2  GLN  60          1HE2      GLN  60  14.594   0.882  13.379
  470   2HE2  GLN  60          2HE2      GLN  60  15.504  -0.288  14.267
  471    HA   PRO  61           HA       PRO  61  17.219   2.336   5.705
  472   1HB   PRO  61          2HB       PRO  61  19.906   1.594   5.955
  473   2HB   PRO  61          1HB       PRO  61  19.301   3.180   5.471
  474   1HG   PRO  61          2HG       PRO  61  20.246   2.243   8.133
  475   2HG   PRO  61          1HG       PRO  61  20.400   3.840   7.379
  476   1HD   PRO  61          2HD       PRO  61  18.630   3.383   9.333
  477   2HD   PRO  61          1HD       PRO  61  18.251   4.468   7.978
  478    H    SER  62           H        SER  62  19.016   0.375   7.975
  479    HA   SER  62           HA       SER  62  18.209  -2.047   6.582
  480   1HB   SER  62          2HB       SER  62  19.747  -3.130   8.298
  481   2HB   SER  62          1HB       SER  62  20.521  -2.013   7.174
  482    HG   SER  62           HG       SER  62  19.564  -1.154   9.694
  483    H    LEU  63           H        LEU  63  16.139  -2.543   7.081
  484    HA   LEU  63           HA       LEU  63  14.861  -1.897   9.489
  485   1HB   LEU  63          2HB       LEU  63  14.183  -3.903   7.351
  486   2HB   LEU  63          1HB       LEU  63  13.161  -3.644   8.749
  487    HG   LEU  63           HG       LEU  63  13.004  -1.211   8.041
  488   1HD1  LEU  63          1HD1      LEU  63  13.444  -0.723   5.682
  489   2HD1  LEU  63          2HD1      LEU  63  14.168  -2.320   5.491
  490   3HD1  LEU  63          3HD1      LEU  63  14.924  -1.130   6.551
  491   1HD2  LEU  63          1HD2      LEU  63  11.196  -2.808   7.714
  492   2HD2  LEU  63          2HD2      LEU  63  11.909  -3.312   6.183
  493   3HD2  LEU  63          3HD2      LEU  63  11.290  -1.672   6.368
  494    H    GLU  64           H        GLU  64  13.948  -3.360  11.057
  495    HA   GLU  64           HA       GLU  64  15.944  -4.690  12.467
  496   1HB   GLU  64          2HB       GLU  64  13.947  -3.681  13.479
  497   2HB   GLU  64          1HB       GLU  64  12.946  -4.920  12.741
  498   1HG   GLU  64          2HG       GLU  64  14.122  -6.625  14.074
  499   2HG   GLU  64          1HG       GLU  64  15.048  -5.340  14.853
  500    H    HIS  65           H        HIS  65  16.928  -6.293  11.310
  501    HA   HIS  65           HA       HIS  65  17.343  -8.368  10.500
  502   1HB   HIS  65          2HB       HIS  65  16.318  -8.736  12.912
  503   2HB   HIS  65          1HB       HIS  65  15.015  -9.491  12.002
  504    HD1  HIS  65           1HD      HIS  65  17.698 -10.553  13.844
  505    HD2  HIS  65           2HD      HIS  65  16.582 -11.328   9.910
  506    HE1  HIS  65           1HE      HIS  65  18.844 -12.708  13.221
  507    HE2  HIS  65           2HE      HIS  65  18.231 -13.109  10.807
  508    H    HIS  66           H        HIS  66  15.621  -6.742   8.918
  509    HA   HIS  66           HA       HIS  66  13.806  -8.732   7.730
  510   1HB   HIS  66          2HB       HIS  66  13.762  -5.754   7.863
  511   2HB   HIS  66          1HB       HIS  66  13.079  -6.522   6.437
  512    HD1  HIS  66           1HD      HIS  66  12.685  -6.780  10.230
  513    HD2  HIS  66           2HD      HIS  66  10.482  -7.185   6.726
  514    HE1  HIS  66           1HE      HIS  66  10.309  -7.147  10.961
  515    HE2  HIS  66           2HE      HIS  66   8.980  -7.147   8.828
  516    H    HIS  67           H        HIS  67  14.223  -9.558   5.812
  517    HA   HIS  67           HA       HIS  67  15.103  -9.957   3.764
  518   1HB   HIS  67          2HB       HIS  67  14.423  -7.540   3.377
  519   2HB   HIS  67          1HB       HIS  67  16.090  -7.099   3.737
  520    HD1  HIS  67           1HD      HIS  67  14.130  -9.204   1.260
  521    HD2  HIS  67           2HD      HIS  67  17.773  -7.220   1.598
  522    HE1  HIS  67           1HE      HIS  67  15.209  -9.364  -1.012
  523    HE2  HIS  67           2HE      HIS  67  17.462  -8.251  -0.754
  524    H    HIS  68           H        HIS  68  16.594 -10.309   6.237
  525    HA   HIS  68           HA       HIS  68  19.348  -9.715   5.715
  526   1HB   HIS  68          2HB       HIS  68  18.575  -9.970   8.009
  527   2HB   HIS  68          1HB       HIS  68  18.059 -11.620   7.680
  528    HD1  HIS  68           1HD      HIS  68  21.243  -9.566   7.861
  529    HD2  HIS  68           2HD      HIS  68  19.962 -13.516   8.109
  530    HE1  HIS  68           1HE      HIS  68  23.270 -10.898   8.547
  531    HE2  HIS  68           2HE      HIS  68  22.471 -13.287   8.694
  532    H    HIS  69           H        HIS  69  20.095 -10.539   3.870
  533    HA   HIS  69           HA       HIS  69  21.080 -12.051   2.488
  534   1HB   HIS  69          2HB       HIS  69  21.795 -13.309   4.470
  535   2HB   HIS  69          1HB       HIS  69  20.239 -14.127   4.525
  536    HD1  HIS  69           1HD      HIS  69  19.739 -15.781   2.443
  537    HD2  HIS  69           2HD      HIS  69  23.676 -14.513   2.896
  538    HE1  HIS  69           1HE      HIS  69  21.127 -17.385   1.097
  539    HE2  HIS  69           2HE      HIS  69  23.515 -16.681   1.491
  540    H    HIS  70           H        HIS  70  17.863 -12.676   3.631
  541    HA   HIS  70           HA       HIS  70  15.999 -13.562   2.814
  542   1HB   HIS  70          2HB       HIS  70  15.345 -13.280   0.579
  543   2HB   HIS  70          1HB       HIS  70  16.439 -11.951   0.899
  544    HD1  HIS  70           1HD      HIS  70  16.710 -15.425  -0.678
  545    HD2  HIS  70           2HD      HIS  70  18.164 -11.562  -1.137
  546    HE1  HIS  70           1HE      HIS  70  18.085 -15.468  -2.777
  547    HE2  HIS  70           2HE      HIS  70  19.135 -13.182  -2.904
  Start of MODEL    3
    1   1H    MET   1          1H        MET   1 -21.567  -6.426 -18.838
    2   2H    MET   1          2H        MET   1 -21.666  -4.736 -18.758
    3   3H    MET   1          3H        MET   1 -20.155  -5.489 -18.947
    4    HA   MET   1           HA       MET   1 -20.871  -6.355 -21.102
    5   1HB   MET   1          2HB       MET   1 -23.235  -4.534 -20.606
    6   2HB   MET   1          1HB       MET   1 -22.846  -5.276 -22.149
    7   1HG   MET   1          2HG       MET   1 -23.184  -7.482 -21.192
    8   2HG   MET   1          1HG       MET   1 -23.537  -6.757 -19.623
    9   1HE   MET   1          1HE       MET   1 -27.052  -8.056 -20.763
   10   2HE   MET   1          2HE       MET   1 -25.830  -8.091 -19.494
   11   3HE   MET   1          3HE       MET   1 -25.499  -8.833 -21.061
   12    H    GLU   2           H        GLU   2 -22.112  -3.043 -20.710
   13    HA   GLU   2           HA       GLU   2 -19.633  -2.088 -21.972
   14   1HB   GLU   2          2HB       GLU   2 -22.438  -1.134 -22.562
   15   2HB   GLU   2          1HB       GLU   2 -20.963  -0.468 -23.251
   16   1HG   GLU   2          2HG       GLU   2 -20.498  -2.654 -24.286
   17   2HG   GLU   2          1HG       GLU   2 -22.030  -3.251 -23.651
   18    H    SER   3           H        SER   3 -18.698  -1.244 -20.185
   19    HA   SER   3           HA       SER   3 -19.505   1.314 -19.324
   20   1HB   SER   3          2HB       SER   3 -19.839   0.689 -16.876
   21   2HB   SER   3          1HB       SER   3 -21.165   0.268 -17.962
   22    HG   SER   3           HG       SER   3 -20.715  -1.494 -16.639
   23    H    ARG   4           H        ARG   4 -17.976  -1.422 -17.655
   24    HA   ARG   4           HA       ARG   4 -15.914  -1.776 -16.808
   25   1HB   ARG   4          2HB       ARG   4 -15.252  -1.594 -19.180
   26   2HB   ARG   4          1HB       ARG   4 -15.000   0.133 -18.964
   27   1HG   ARG   4          2HG       ARG   4 -13.215  -0.291 -17.389
   28   2HG   ARG   4          1HG       ARG   4 -13.506  -2.029 -17.494
   29   1HD   ARG   4          2HD       ARG   4 -12.615  -0.231 -19.744
   30   2HD   ARG   4          1HD       ARG   4 -11.604  -1.382 -18.870
   31    HE   ARG   4           HE       ARG   4 -13.455  -3.026 -19.767
   32   1HH1  ARG   4          1HH1      ARG   4 -11.979  -0.334 -21.449
   33   2HH1  ARG   4          2HH1      ARG   4 -12.061  -1.098 -23.009
   34   1HH2  ARG   4          1HH2      ARG   4 -13.599  -4.019 -21.803
   35   2HH2  ARG   4          2HH2      ARG   4 -13.021  -3.186 -23.214
   36    H    LEU   5           H        LEU   5 -16.344  -0.859 -14.836
   37    HA   LEU   5           HA       LEU   5 -14.882   1.555 -14.232
   38   1HB   LEU   5          2HB       LEU   5 -17.250   2.214 -14.976
   39   2HB   LEU   5          1HB       LEU   5 -17.805   1.453 -13.501
   40    HG   LEU   5           HG       LEU   5 -15.755   3.651 -13.408
   41   1HD1  LEU   5          1HD1      LEU   5 -17.647   4.472 -14.727
   42   2HD1  LEU   5          2HD1      LEU   5 -17.552   5.260 -13.153
   43   3HD1  LEU   5          3HD1      LEU   5 -18.748   3.996 -13.435
   44   1HD2  LEU   5          1HD2      LEU   5 -16.715   4.015 -11.192
   45   2HD2  LEU   5          2HD2      LEU   5 -16.143   2.357 -11.371
   46   3HD2  LEU   5          3HD2      LEU   5 -17.868   2.710 -11.470
   47    H    LEU   6           H        LEU   6 -13.761   1.023 -12.507
   48    HA   LEU   6           HA       LEU   6 -13.118   0.136 -10.515
   49   1HB   LEU   6          2HB       LEU   6 -15.619   1.093 -10.016
   50   2HB   LEU   6          1HB       LEU   6 -15.851  -0.603  -9.644
   51    HG   LEU   6           HG       LEU   6 -13.762   1.168  -8.364
   52   1HD1  LEU   6          1HD1      LEU   6 -16.441   0.220  -7.360
   53   2HD1  LEU   6          2HD1      LEU   6 -15.964   1.882  -7.705
   54   3HD1  LEU   6          3HD1      LEU   6 -15.214   1.008  -6.369
   55   1HD2  LEU   6          1HD2      LEU   6 -13.124  -1.193  -8.420
   56   2HD2  LEU   6          2HD2      LEU   6 -14.666  -1.631  -7.685
   57   3HD2  LEU   6          3HD2      LEU   6 -13.498  -0.668  -6.779
   58    H    ASP   7           H        ASP   7 -12.892  -1.440 -12.621
   59    HA   ASP   7           HA       ASP   7 -14.274  -3.945 -12.321
   60   1HB   ASP   7          2HB       ASP   7 -11.875  -3.323 -14.054
   61   2HB   ASP   7          1HB       ASP   7 -12.980  -4.681 -14.229
   62    H    ILE   8           H        ILE   8 -10.797  -3.111 -12.257
   63    HA   ILE   8           HA       ILE   8 -10.209  -5.662 -11.039
   64    HB   ILE   8           HB       ILE   8  -8.246  -3.430 -11.572
   65   1HG1  ILE   8          2HG1      ILE   8  -9.443  -3.946 -13.650
   66   2HG1  ILE   8          1HG1      ILE   8  -7.785  -4.522 -13.729
   67   1HG2  ILE   8          1HG2      ILE   8  -7.854  -6.416 -11.376
   68   2HG2  ILE   8          2HG2      ILE   8  -7.490  -5.255 -10.100
   69   3HG2  ILE   8          3HG2      ILE   8  -6.596  -5.203 -11.619
   70   1HD1  ILE   8          1HD1      ILE   8 -10.200  -6.224 -13.162
   71   2HD1  ILE   8          2HD1      ILE   8  -8.535  -6.792 -13.283
   72   3HD1  ILE   8          3HD1      ILE   8  -9.344  -6.118 -14.700
   73    H    LEU   9           H        LEU   9  -8.493  -2.757 -10.091
   74    HA   LEU   9           HA       LEU   9  -9.572  -2.844  -7.384
   75   1HB   LEU   9          2HB       LEU   9  -6.676  -3.354  -8.061
   76   2HB   LEU   9          1HB       LEU   9  -7.220  -2.884  -6.465
   77    HG   LEU   9           HG       LEU   9  -8.112  -5.395  -7.878
   78   1HD1  LEU   9          1HD1      LEU   9  -5.728  -5.494  -7.423
   79   2HD1  LEU   9          2HD1      LEU   9  -6.607  -6.561  -6.327
   80   3HD1  LEU   9          3HD1      LEU   9  -6.006  -5.005  -5.753
   81   1HD2  LEU   9          1HD2      LEU   9  -8.385  -4.524  -5.001
   82   2HD2  LEU   9          2HD2      LEU   9  -8.953  -6.044  -5.694
   83   3HD2  LEU   9          3HD2      LEU   9  -9.681  -4.520  -6.200
   84    H    VAL  10           H        VAL  10  -9.625  -0.858  -6.481
   85    HA   VAL  10           HA       VAL  10  -7.951   1.247  -7.661
   86    HB   VAL  10           HB       VAL  10  -9.787   2.864  -7.366
   87   1HG1  VAL  10          1HG1      VAL  10 -11.161   2.141  -9.262
   88   2HG1  VAL  10          2HG1      VAL  10 -10.490   0.516  -9.122
   89   3HG1  VAL  10          3HG1      VAL  10  -9.443   1.870  -9.550
   90   1HG2  VAL  10          1HG2      VAL  10 -11.493   0.449  -6.772
   91   2HG2  VAL  10          2HG2      VAL  10 -12.070   2.101  -6.993
   92   3HG2  VAL  10          3HG2      VAL  10 -11.038   1.703  -5.620
   93    H    CYS  11           H        CYS  11  -7.399   2.961  -6.268
   94    HA   CYS  11           HA       CYS  11  -6.808   2.238  -3.625
   95   1HB   CYS  11          2HB       CYS  11  -5.519   3.927  -4.812
   96   2HB   CYS  11          1HB       CYS  11  -6.929   4.978  -4.906
   97    HG   CYS  11           HG       CYS  11  -4.638   4.855  -2.611
   98    HA   PRO  12           HA       PRO  12 -10.765   2.673  -1.694
   99   1HB   PRO  12          2HB       PRO  12  -9.164   3.101   0.769
  100   2HB   PRO  12          1HB       PRO  12 -10.414   1.900   0.431
  101   1HG   PRO  12          2HG       PRO  12  -7.838   1.208   0.522
  102   2HG   PRO  12          1HG       PRO  12  -8.951   0.476  -0.649
  103   1HD   PRO  12          2HD       PRO  12  -6.886   2.599  -1.068
  104   2HD   PRO  12          1HD       PRO  12  -7.349   1.249  -2.126
  105    H    VAL  13           H        VAL  13  -8.166   4.983  -1.201
  106    HA   VAL  13           HA       VAL  13 -10.048   6.940  -0.110
  107    HB   VAL  13           HB       VAL  13  -7.038   7.121  -0.352
  108   1HG1  VAL  13          1HG1      VAL  13  -9.016   8.865   1.113
  109   2HG1  VAL  13          2HG1      VAL  13  -8.101   9.308  -0.326
  110   3HG1  VAL  13          3HG1      VAL  13  -7.262   9.017   1.197
  111   1HG2  VAL  13          1HG2      VAL  13  -7.725   5.338   1.177
  112   2HG2  VAL  13          2HG2      VAL  13  -8.768   6.466   2.038
  113   3HG2  VAL  13          3HG2      VAL  13  -7.019   6.685   2.069
  114    H    CYS  14           H        CYS  14  -7.598   6.702  -2.693
  115    HA   CYS  14           HA       CYS  14  -8.423   9.306  -3.695
  116   1HB   CYS  14          2HB       CYS  14  -6.029   8.810  -3.425
  117   2HB   CYS  14          1HB       CYS  14  -6.173   7.484  -4.574
  118    HG   CYS  14           HG       CYS  14  -7.248   9.661  -6.442
  119    H    LYS  15           H        LYS  15  -9.381   6.156  -4.274
  120    HA   LYS  15           HA       LYS  15 -10.244   4.975  -5.994
  121   1HB   LYS  15          2HB       LYS  15 -11.208   7.756  -6.364
  122   2HB   LYS  15          1HB       LYS  15 -11.512   6.613  -7.666
  123   1HG   LYS  15          2HG       LYS  15 -13.371   6.749  -6.108
  124   2HG   LYS  15          1HG       LYS  15 -12.675   5.137  -6.140
  125   1HD   LYS  15          2HD       LYS  15 -11.450   5.682  -4.062
  126   2HD   LYS  15          1HD       LYS  15 -12.249   7.258  -4.036
  127   1HE   LYS  15          2HE       LYS  15 -14.435   6.099  -3.972
  128   2HE   LYS  15          1HE       LYS  15 -13.586   4.557  -3.881
  129   1HZ   LYS  15          1HZ       LYS  15 -12.583   5.286  -1.798
  130   2HZ   LYS  15          2HZ       LYS  15 -14.273   5.294  -1.700
  131   3HZ   LYS  15          3HZ       LYS  15 -13.428   6.754  -1.887
  132    H    GLY  16           H        GLY  16  -7.487   6.007  -6.338
  133   1HA   GLY  16          2HA       GLY  16  -7.267   6.240  -9.233
  134   2HA   GLY  16          1HA       GLY  16  -5.944   6.339  -8.075
  135    H    ARG  17           H        ARG  17  -5.736   4.819 -10.383
  136    HA   ARG  17           HA       ARG  17  -6.422   2.099 -10.049
  137   1HB   ARG  17          2HB       ARG  17  -4.158   3.302 -11.654
  138   2HB   ARG  17          1HB       ARG  17  -4.771   1.663 -11.821
  139   1HG   ARG  17          2HG       ARG  17  -6.915   2.515 -12.576
  140   2HG   ARG  17          1HG       ARG  17  -6.347   4.173 -12.357
  141   1HD   ARG  17          2HD       ARG  17  -4.624   3.822 -14.037
  142   2HD   ARG  17          1HD       ARG  17  -5.125   2.143 -14.225
  143    HE   ARG  17           HE       ARG  17  -7.335   3.814 -14.712
  144   1HH1  ARG  17          1HH1      ARG  17  -4.249   2.970 -16.119
  145   2HH1  ARG  17          2HH1      ARG  17  -4.755   3.255 -17.755
  146   1HH2  ARG  17          1HH2      ARG  17  -8.031   4.169 -16.868
  147   2HH2  ARG  17          2HH2      ARG  17  -6.918   3.925 -18.181
  148    H    LEU  18           H        LEU  18  -5.476   0.478  -8.943
  149    HA   LEU  18           HA       LEU  18  -3.106   1.068  -7.355
  150   1HB   LEU  18          2HB       LEU  18  -4.937  -1.335  -7.445
  151   2HB   LEU  18          1HB       LEU  18  -3.533  -1.216  -6.402
  152    HG   LEU  18           HG       LEU  18  -5.976   0.556  -6.292
  153   1HD1  LEU  18          1HD1      LEU  18  -6.423  -1.665  -5.444
  154   2HD1  LEU  18          2HD1      LEU  18  -6.326  -0.521  -4.107
  155   3HD1  LEU  18          3HD1      LEU  18  -4.973  -1.603  -4.441
  156   1HD2  LEU  18          1HD2      LEU  18  -3.502   0.516  -4.572
  157   2HD2  LEU  18          2HD2      LEU  18  -4.953   1.471  -4.262
  158   3HD2  LEU  18          3HD2      LEU  18  -3.974   1.791  -5.695
  159    H    GLU  19           H        GLU  19  -1.117   0.390  -7.851
  160    HA   GLU  19           HA       GLU  19  -0.838  -1.307 -10.221
  161   1HB   GLU  19          2HB       GLU  19   1.164   0.544  -8.923
  162   2HB   GLU  19          1HB       GLU  19   1.455  -0.425 -10.356
  163   1HG   GLU  19          2HG       GLU  19  -0.484   0.797 -11.414
  164   2HG   GLU  19          1HG       GLU  19  -0.396   1.907 -10.046
  165    H    PHE  20           H        PHE  20  -0.218  -3.317  -9.977
  166    HA   PHE  20           HA       PHE  20   0.593  -4.323  -7.417
  167   1HB   PHE  20          2HB       PHE  20  -0.881  -5.637  -8.883
  168   2HB   PHE  20          1HB       PHE  20   0.391  -5.715 -10.097
  169    HD1  PHE  20           1HD      PHE  20  -0.323  -6.632  -6.567
  170    HD2  PHE  20           2HD      PHE  20   1.860  -7.507 -10.108
  171    HE1  PHE  20           1HE      PHE  20   0.526  -8.696  -5.527
  172    HE2  PHE  20           2HE      PHE  20   2.713  -9.571  -9.079
  173    HZ   PHE  20           HZ       PHE  20   2.047 -10.169  -6.785
  174    H    GLN  21           H        GLN  21   2.572  -3.551  -6.871
  175    HA   GLN  21           HA       GLN  21   4.814  -3.944  -8.694
  176   1HB   GLN  21          2HB       GLN  21   4.667  -2.712  -5.933
  177   2HB   GLN  21          1HB       GLN  21   6.111  -2.789  -6.927
  178   1HG   GLN  21          2HG       GLN  21   3.593  -1.416  -7.807
  179   2HG   GLN  21          1HG       GLN  21   4.881  -0.599  -6.928
  180   1HE2  GLN  21          1HE2      GLN  21   5.211   0.799  -8.658
  181   2HE2  GLN  21          2HE2      GLN  21   6.027   0.301 -10.098
  182    H    ARG  22           H        ARG  22   6.884  -4.803  -7.363
  183    HA   ARG  22           HA       ARG  22   6.029  -7.129  -5.821
  184   1HB   ARG  22          2HB       ARG  22   7.351  -8.646  -7.261
  185   2HB   ARG  22          1HB       ARG  22   5.962  -7.940  -8.068
  186   1HG   ARG  22          2HG       ARG  22   7.590  -6.220  -9.006
  187   2HG   ARG  22          1HG       ARG  22   8.865  -7.309  -8.456
  188   1HD   ARG  22          2HD       ARG  22   6.676  -7.884 -10.442
  189   2HD   ARG  22          1HD       ARG  22   8.414  -7.834 -10.737
  190    HE   ARG  22           HE       ARG  22   8.447  -9.810  -9.089
  191   1HH1  ARG  22          1HH1      ARG  22   5.858  -9.137 -11.347
  192   2HH1  ARG  22          2HH1      ARG  22   5.366 -10.798 -11.483
  193   1HH2  ARG  22          1HH2      ARG  22   7.814 -11.999  -9.276
  194   2HH2  ARG  22          2HH2      ARG  22   6.480 -12.421 -10.308
  195    H    ALA  23           H        ALA  23   7.458  -4.785  -5.043
  196    HA   ALA  23           HA       ALA  23  10.160  -5.745  -4.503
  197   1HB   ALA  23          1HB       ALA  23   8.715  -3.287  -3.482
  198   2HB   ALA  23          2HB       ALA  23   9.809  -3.341  -4.864
  199   3HB   ALA  23          3HB       ALA  23  10.422  -3.657  -3.242
  200    H    GLN  24           H        GLN  24   7.267  -4.849  -2.678
  201    HA   GLN  24           HA       GLN  24   7.868  -7.021  -0.761
  202   1HB   GLN  24          2HB       GLN  24   6.301  -4.489  -0.198
  203   2HB   GLN  24          1HB       GLN  24   6.764  -5.725   0.966
  204   1HG   GLN  24          2HG       GLN  24   8.980  -5.058   0.984
  205   2HG   GLN  24          1HG       GLN  24   8.844  -4.219  -0.561
  206   1HE2  GLN  24          1HE2      GLN  24   7.765  -2.219  -0.638
  207   2HE2  GLN  24          2HE2      GLN  24   7.633  -1.233   0.782
  208    H    ALA  25           H        ALA  25   6.310  -6.594  -3.364
  209    HA   ALA  25           HA       ALA  25   4.369  -7.191  -4.368
  210   1HB   ALA  25          1HB       ALA  25   2.937  -8.871  -3.319
  211   2HB   ALA  25          2HB       ALA  25   3.785  -8.640  -1.789
  212   3HB   ALA  25          3HB       ALA  25   4.640  -9.314  -3.175
  213    H    GLU  26           H        GLU  26   4.378  -4.726  -3.647
  214    HA   GLU  26           HA       GLU  26   2.018  -4.200  -1.981
  215   1HB   GLU  26          2HB       GLU  26   2.955  -1.939  -1.668
  216   2HB   GLU  26          1HB       GLU  26   4.058  -3.192  -1.126
  217   1HG   GLU  26          2HG       GLU  26   4.303  -2.019  -3.864
  218   2HG   GLU  26          1HG       GLU  26   4.980  -1.193  -2.464
  219    H    LEU  27           H        LEU  27   0.379  -2.897  -2.664
  220    HA   LEU  27           HA       LEU  27   0.280  -2.220  -5.503
  221   1HB   LEU  27          2HB       LEU  27  -1.833  -1.761  -3.397
  222   2HB   LEU  27          1HB       LEU  27  -2.047  -1.698  -5.131
  223    HG   LEU  27           HG       LEU  27  -1.396  -4.194  -3.563
  224   1HD1  LEU  27          1HD1      LEU  27  -3.644  -3.353  -3.094
  225   2HD1  LEU  27          2HD1      LEU  27  -3.691  -4.852  -4.022
  226   3HD1  LEU  27          3HD1      LEU  27  -3.989  -3.309  -4.823
  227   1HD2  LEU  27          1HD2      LEU  27  -2.088  -3.794  -6.474
  228   2HD2  LEU  27          2HD2      LEU  27  -1.908  -5.352  -5.667
  229   3HD2  LEU  27          3HD2      LEU  27  -0.519  -4.278  -5.827
  230    H    VAL  28           H        VAL  28   1.294  -0.372  -5.997
  231    HA   VAL  28           HA       VAL  28   1.565   1.706  -3.979
  232    HB   VAL  28           HB       VAL  28   2.800   1.471  -6.729
  233   1HG1  VAL  28          1HG1      VAL  28   3.351   3.461  -4.526
  234   2HG1  VAL  28          2HG1      VAL  28   2.602   3.808  -6.085
  235   3HG1  VAL  28          3HG1      VAL  28   4.288   3.296  -6.011
  236   1HG2  VAL  28          1HG2      VAL  28   3.640  -0.225  -5.237
  237   2HG2  VAL  28          2HG2      VAL  28   3.938   0.978  -3.983
  238   3HG2  VAL  28          3HG2      VAL  28   4.873   1.013  -5.476
  239    H    CYS  29           H        CYS  29   0.525   3.558  -3.957
  240    HA   CYS  29           HA       CYS  29  -1.145   4.315  -6.256
  241   1HB   CYS  29          2HB       CYS  29  -1.164   5.439  -3.441
  242   2HB   CYS  29          1HB       CYS  29  -2.344   5.755  -4.709
  243    HG   CYS  29           HG       CYS  29  -1.954   2.529  -3.828
  244    H    ASN  30           H        ASN  30  -0.065   5.639  -7.624
  245    HA   ASN  30           HA       ASN  30   2.285   7.033  -6.833
  246   1HB   ASN  30          2HB       ASN  30   0.669   7.253  -9.383
  247   2HB   ASN  30          1HB       ASN  30   2.258   7.970  -9.136
  248   1HD2  ASN  30          1HD2      ASN  30   0.484   5.090  -9.760
  249   2HD2  ASN  30          2HD2      ASN  30   1.841   4.046 -10.030
  250    H    ALA  31           H        ALA  31  -0.919   7.821  -6.399
  251    HA   ALA  31           HA       ALA  31  -0.626  10.677  -6.713
  252   1HB   ALA  31          1HB       ALA  31  -2.778   9.593  -7.169
  253   2HB   ALA  31          2HB       ALA  31  -2.917  10.800  -5.892
  254   3HB   ALA  31          3HB       ALA  31  -2.878   9.084  -5.483
  255    H    ASP  32           H        ASP  32  -1.451   8.603  -3.926
  256    HA   ASP  32           HA       ASP  32  -0.647  10.690  -2.090
  257   1HB   ASP  32          2HB       ASP  32  -1.738   7.905  -1.628
  258   2HB   ASP  32          1HB       ASP  32  -1.365   9.045  -0.339
  259    H    ARG  33           H        ARG  33   0.925   8.254  -3.715
  260    HA   ARG  33           HA       ARG  33   2.917   7.206  -3.531
  261   1HB   ARG  33          2HB       ARG  33   3.325   9.554  -1.743
  262   2HB   ARG  33          1HB       ARG  33   4.558   8.297  -1.839
  263   1HG   ARG  33          2HG       ARG  33   4.677   8.587  -4.260
  264   2HG   ARG  33          1HG       ARG  33   3.443   9.847  -4.171
  265   1HD   ARG  33          2HD       ARG  33   5.977  10.007  -2.606
  266   2HD   ARG  33          1HD       ARG  33   5.893  10.550  -4.280
  267    HE   ARG  33           HE       ARG  33   3.950  11.986  -3.400
  268   1HH1  ARG  33          1HH1      ARG  33   6.820  11.172  -1.569
  269   2HH1  ARG  33          2HH1      ARG  33   6.741  12.587  -0.569
  270   1HH2  ARG  33          1HH2      ARG  33   3.875  13.876  -2.133
  271   2HH2  ARG  33          2HH2      ARG  33   5.078  14.150  -0.909
  272    H    LEU  34           H        LEU  34   0.767   6.173  -2.149
  273    HA   LEU  34           HA       LEU  34   1.944   5.032   0.289
  274   1HB   LEU  34          2HB       LEU  34  -0.888   5.141  -0.740
  275   2HB   LEU  34          1HB       LEU  34  -0.410   4.106   0.593
  276    HG   LEU  34           HG       LEU  34  -0.053   7.094   0.603
  277   1HD1  LEU  34          1HD1      LEU  34  -2.423   6.569   0.455
  278   2HD1  LEU  34          2HD1      LEU  34  -2.022   7.156   2.069
  279   3HD1  LEU  34          3HD1      LEU  34  -2.267   5.432   1.792
  280   1HD2  LEU  34          1HD2      LEU  34   0.258   6.803   2.988
  281   2HD2  LEU  34          2HD2      LEU  34   1.425   5.822   2.101
  282   3HD2  LEU  34          3HD2      LEU  34   0.008   5.065   2.830
  283    H    ALA  35           H        ALA  35   2.068   2.818   0.560
  284    HA   ALA  35           HA       ALA  35   1.603   1.194  -1.851
  285   1HB   ALA  35          1HB       ALA  35   4.002   1.603  -1.603
  286   2HB   ALA  35          2HB       ALA  35   3.617  -0.097  -1.334
  287   3HB   ALA  35          3HB       ALA  35   3.949   0.957   0.039
  288    H    PHE  36           H        PHE  36   0.131  -0.294  -1.484
  289    HA   PHE  36           HA       PHE  36  -0.356  -1.231   1.250
  290   1HB   PHE  36          2HB       PHE  36  -1.960  -1.724  -1.267
  291   2HB   PHE  36          1HB       PHE  36  -2.440  -2.151   0.371
  292    HD1  PHE  36           2HD      PHE  36  -2.284  -0.015   2.038
  293    HD2  PHE  36           1HD      PHE  36  -2.986   0.110  -2.153
  294    HE1  PHE  36           2HE      PHE  36  -3.379   2.177   2.290
  295    HE2  PHE  36           1HE      PHE  36  -4.075   2.300  -1.912
  296    HZ   PHE  36           HZ       PHE  36  -4.274   3.338   0.312
  297    HA   PRO  37           HA       PRO  37   2.130  -4.697  -0.274
  298   1HB   PRO  37          2HB       PRO  37   2.667  -5.380   2.470
  299   2HB   PRO  37          1HB       PRO  37   3.760  -4.664   1.285
  300   1HG   PRO  37          2HG       PRO  37   2.824  -3.352   3.509
  301   2HG   PRO  37          1HG       PRO  37   3.378  -2.543   2.034
  302   1HD   PRO  37          2HD       PRO  37   0.589  -3.137   2.942
  303   2HD   PRO  37          1HD       PRO  37   1.229  -1.688   2.136
  304    H    VAL  38           H        VAL  38   1.642  -6.792  -0.594
  305    HA   VAL  38           HA       VAL  38  -0.706  -7.903   0.683
  306    HB   VAL  38           HB       VAL  38   1.153  -9.136  -1.359
  307   1HG1  VAL  38          1HG1      VAL  38  -0.054 -10.830  -0.070
  308   2HG1  VAL  38          2HG1      VAL  38  -0.646 -10.756  -1.729
  309   3HG1  VAL  38          3HG1      VAL  38  -1.581 -10.020  -0.428
  310   1HG2  VAL  38          1HG2      VAL  38  -1.518  -7.764  -1.681
  311   2HG2  VAL  38          2HG2      VAL  38  -0.679  -8.652  -2.953
  312   3HG2  VAL  38          3HG2      VAL  38   0.042  -7.192  -2.276
  313    H    ARG  39           H        ARG  39  -0.367  -8.466   2.730
  314    HA   ARG  39           HA       ARG  39   2.122  -9.625   3.600
  315   1HB   ARG  39          2HB       ARG  39   0.987  -8.086   5.079
  316   2HB   ARG  39          1HB       ARG  39  -0.470  -9.072   5.056
  317   1HG   ARG  39          2HG       ARG  39   0.719 -10.864   6.212
  318   2HG   ARG  39          1HG       ARG  39   2.188  -9.884   6.221
  319   1HD   ARG  39          2HD       ARG  39   1.201  -8.267   7.656
  320   2HD   ARG  39          1HD       ARG  39  -0.401  -8.979   7.461
  321    HE   ARG  39           HE       ARG  39   0.905 -11.017   8.550
  322   1HH1  ARG  39          1HH1      ARG  39   0.988  -7.612   9.417
  323   2HH1  ARG  39          2HH1      ARG  39   1.206  -7.930  11.116
  324   1HH2  ARG  39          1HH2      ARG  39   1.180 -11.422  10.761
  325   2HH2  ARG  39          2HH2      ARG  39   1.285 -10.100  11.886
  326    H    ASP  40           H        ASP  40   2.297 -11.559   2.523
  327    HA   ASP  40           HA       ASP  40   2.193 -13.815   2.306
  328   1HB   ASP  40          2HB       ASP  40   2.435 -13.584   4.812
  329   2HB   ASP  40          1HB       ASP  40   0.693 -13.800   4.930
  330    H    GLY  41           H        GLY  41  -0.006 -12.173   1.239
  331   1HA   GLY  41          2HA       GLY  41  -1.525 -13.372  -0.302
  332   2HA   GLY  41          1HA       GLY  41  -2.027 -14.324   1.084
  333    H    VAL  42           H        VAL  42  -1.812 -11.593   2.601
  334    HA   VAL  42           HA       VAL  42  -4.504 -10.685   1.804
  335    HB   VAL  42           HB       VAL  42  -3.206 -10.487   4.531
  336   1HG1  VAL  42          1HG1      VAL  42  -5.407  -9.751   5.305
  337   2HG1  VAL  42          2HG1      VAL  42  -6.006  -9.793   3.647
  338   3HG1  VAL  42          3HG1      VAL  42  -4.746  -8.645   4.101
  339   1HG2  VAL  42          1HG2      VAL  42  -3.792 -12.792   3.960
  340   2HG2  VAL  42          2HG2      VAL  42  -5.436 -12.283   3.578
  341   3HG2  VAL  42          3HG2      VAL  42  -4.840 -12.164   5.233
  342    HA   PRO  43           HA       PRO  43  -2.172  -6.952   0.744
  343   1HB   PRO  43          2HB       PRO  43  -4.300  -5.699  -0.409
  344   2HB   PRO  43          1HB       PRO  43  -3.291  -6.880  -1.251
  345   1HG   PRO  43          2HG       PRO  43  -5.954  -7.255   0.061
  346   2HG   PRO  43          1HG       PRO  43  -5.366  -7.897  -1.485
  347   1HD   PRO  43          2HD       PRO  43  -5.455  -9.395   0.759
  348   2HD   PRO  43          1HD       PRO  43  -4.194  -9.609  -0.472
  349    H    ILE  44           H        ILE  44  -1.762  -5.613   2.378
  350    HA   ILE  44           HA       ILE  44  -3.813  -4.860   4.257
  351    HB   ILE  44           HB       ILE  44  -0.975  -3.831   4.046
  352   1HG1  ILE  44          2HG1      ILE  44  -1.010  -6.259   4.372
  353   2HG1  ILE  44          1HG1      ILE  44  -0.456  -5.446   5.832
  354   1HG2  ILE  44          1HG2      ILE  44  -2.417  -2.356   5.331
  355   2HG2  ILE  44          2HG2      ILE  44  -1.278  -3.181   6.393
  356   3HG2  ILE  44          3HG2      ILE  44  -2.957  -3.714   6.320
  357   1HD1  ILE  44          1HD1      ILE  44  -2.678  -5.728   6.815
  358   2HD1  ILE  44          2HD1      ILE  44  -1.948  -7.271   6.373
  359   3HD1  ILE  44          3HD1      ILE  44  -3.209  -6.567   5.358
  360    H    MET  45           H        MET  45  -5.312  -3.705   3.080
  361    HA   MET  45           HA       MET  45  -4.418  -1.347   1.618
  362   1HB   MET  45          2HB       MET  45  -7.145  -2.634   1.835
  363   2HB   MET  45          1HB       MET  45  -6.771  -1.234   0.839
  364   1HG   MET  45          2HG       MET  45  -5.191  -2.571  -0.456
  365   2HG   MET  45          1HG       MET  45  -5.549  -3.971   0.546
  366   1HE   MET  45          1HE       MET  45  -6.913  -1.460  -2.133
  367   2HE   MET  45          2HE       MET  45  -8.080  -1.257  -0.826
  368   3HE   MET  45          3HE       MET  45  -8.574  -2.015  -2.341
  369    H    LEU  46           H        LEU  46  -4.675  -1.747   4.664
  370    HA   LEU  46           HA       LEU  46  -6.475   0.425   5.364
  371   1HB   LEU  46          2HB       LEU  46  -4.590  -1.207   7.079
  372   2HB   LEU  46          1HB       LEU  46  -5.720  -0.010   7.681
  373    HG   LEU  46           HG       LEU  46  -6.475  -2.585   6.292
  374   1HD1  LEU  46          1HD1      LEU  46  -6.654  -1.771   9.192
  375   2HD1  LEU  46          2HD1      LEU  46  -5.548  -2.965   8.513
  376   3HD1  LEU  46          3HD1      LEU  46  -7.286  -3.264   8.500
  377   1HD2  LEU  46          1HD2      LEU  46  -8.190  -0.478   7.609
  378   2HD2  LEU  46          2HD2      LEU  46  -8.757  -2.013   6.951
  379   3HD2  LEU  46          3HD2      LEU  46  -8.081  -0.788   5.877
  380    H    GLU  47           H        GLU  47  -5.844   2.481   5.423
  381    HA   GLU  47           HA       GLU  47  -3.340   3.309   4.507
  382   1HB   GLU  47          2HB       GLU  47  -5.039   5.058   6.266
  383   2HB   GLU  47          1HB       GLU  47  -4.037   5.518   4.899
  384   1HG   GLU  47          2HG       GLU  47  -6.058   5.682   3.908
  385   2HG   GLU  47          1HG       GLU  47  -5.765   3.968   3.610
  386    H    ALA  48           H        ALA  48  -4.557   2.912   7.784
  387    HA   ALA  48           HA       ALA  48  -2.441   4.203   9.124
  388   1HB   ALA  48          1HB       ALA  48  -3.283   3.139  11.127
  389   2HB   ALA  48          2HB       ALA  48  -4.221   2.001  10.158
  390   3HB   ALA  48          3HB       ALA  48  -4.625   3.717  10.140
  391    H    GLU  49           H        GLU  49  -2.741   0.956   7.853
  392    HA   GLU  49           HA       GLU  49  -0.221   0.232   9.193
  393   1HB   GLU  49          2HB       GLU  49  -2.405  -1.576   8.148
  394   2HB   GLU  49          1HB       GLU  49  -0.897  -2.122   8.868
  395   1HG   GLU  49          2HG       GLU  49  -1.571  -0.862  10.944
  396   2HG   GLU  49          1HG       GLU  49  -3.156  -0.660  10.199
  397    H    ALA  50           H        ALA  50  -0.987   1.560   6.485
  398    HA   ALA  50           HA       ALA  50   0.325  -0.255   4.632
  399   1HB   ALA  50          1HB       ALA  50  -1.607   1.001   3.842
  400   2HB   ALA  50          2HB       ALA  50  -0.160   1.453   2.941
  401   3HB   ALA  50          3HB       ALA  50  -0.784   2.518   4.201
  402    H    ARG  51           H        ARG  51   2.134   0.552   3.297
  403    HA   ARG  51           HA       ARG  51   3.997   2.082   4.970
  404   1HB   ARG  51          2HB       ARG  51   4.791  -0.118   4.229
  405   2HB   ARG  51          1HB       ARG  51   4.533   0.340   2.553
  406   1HG   ARG  51          2HG       ARG  51   6.237   2.064   2.737
  407   2HG   ARG  51          1HG       ARG  51   6.471   1.667   4.438
  408   1HD   ARG  51          2HD       ARG  51   7.205  -0.581   3.813
  409   2HD   ARG  51          1HD       ARG  51   6.964  -0.186   2.110
  410    HE   ARG  51           HE       ARG  51   8.671   1.707   2.717
  411   1HH1  ARG  51          1HH1      ARG  51   8.744  -1.661   3.718
  412   2HH1  ARG  51          2HH1      ARG  51  10.462  -1.670   3.983
  413   1HH2  ARG  51          1HH2      ARG  51  10.908   1.677   3.001
  414   2HH2  ARG  51          2HH2      ARG  51  11.698   0.223   3.543
  415    H    SER  52           H        SER  52   4.167   4.166   4.528
  416    HA   SER  52           HA       SER  52   3.449   5.146   1.891
  417   1HB   SER  52          2HB       SER  52   2.526   6.392   3.679
  418   2HB   SER  52          1HB       SER  52   4.083   6.545   4.475
  419    HG   SER  52           HG       SER  52   3.040   8.307   2.968
  420    H    LEU  53           H        LEU  53   4.771   6.488   0.685
  421    HA   LEU  53           HA       LEU  53   7.624   5.876   0.975
  422   1HB   LEU  53          2HB       LEU  53   6.132   7.115  -1.341
  423   2HB   LEU  53          1HB       LEU  53   7.832   6.687  -1.335
  424    HG   LEU  53           HG       LEU  53   5.547   4.725  -1.088
  425   1HD1  LEU  53          1HD1      LEU  53   6.159   4.042  -3.343
  426   2HD1  LEU  53          2HD1      LEU  53   7.393   5.301  -3.401
  427   3HD1  LEU  53          3HD1      LEU  53   5.688   5.741  -3.310
  428   1HD2  LEU  53          1HD2      LEU  53   8.515   4.274  -1.388
  429   2HD2  LEU  53          2HD2      LEU  53   7.273   3.022  -1.353
  430   3HD2  LEU  53          3HD2      LEU  53   7.577   4.006   0.079
  431    H    ASP  54           H        ASP  54   5.400   8.267   1.625
  432    HA   ASP  54           HA       ASP  54   7.384  10.424   1.503
  433   1HB   ASP  54          2HB       ASP  54   5.131  10.827   0.502
  434   2HB   ASP  54          1HB       ASP  54   4.419  10.588   2.094
  435    H    ALA  55           H        ALA  55   5.281   8.617   3.642
  436    HA   ALA  55           HA       ALA  55   6.328  10.024   5.985
  437   1HB   ALA  55          1HB       ALA  55   3.917   9.714   5.864
  438   2HB   ALA  55          2HB       ALA  55   4.596   8.821   7.226
  439   3HB   ALA  55          3HB       ALA  55   4.134   7.967   5.754
  440    H    GLU  56           H        GLU  56   7.915   8.149   4.334
  441    HA   GLU  56           HA       GLU  56   8.326   5.847   6.054
  442   1HB   GLU  56          2HB       GLU  56   8.459   5.802   3.509
  443   2HB   GLU  56          1HB       GLU  56   9.977   6.671   3.663
  444   1HG   GLU  56          2HG       GLU  56  10.913   4.824   4.955
  445   2HG   GLU  56          1HG       GLU  56   9.387   3.952   4.817
  446    H    ALA  57           H        ALA  57   8.816   8.655   6.852
  447    HA   ALA  57           HA       ALA  57  11.683   8.553   7.480
  448   1HB   ALA  57          1HB       ALA  57   9.771  10.881   7.658
  449   2HB   ALA  57          2HB       ALA  57  10.936  10.597   6.365
  450   3HB   ALA  57          3HB       ALA  57  11.500  10.927   8.002
  451    HA   PRO  58           HA       PRO  58  10.086   7.205  11.485
  452   1HB   PRO  58          2HB       PRO  58  12.537   6.583  12.509
  453   2HB   PRO  58          1HB       PRO  58  11.619   5.502  11.455
  454   1HG   PRO  58          2HG       PRO  58  13.881   7.337  10.780
  455   2HG   PRO  58          1HG       PRO  58  13.576   5.682  10.221
  456   1HD   PRO  58          2HD       PRO  58  13.023   7.856   8.710
  457   2HD   PRO  58          1HD       PRO  58  12.059   6.368   8.628
  458    H    ALA  59           H        ALA  59   9.784   8.336  13.301
  459    HA   ALA  59           HA       ALA  59  11.265  10.838  13.618
  460   1HB   ALA  59          1HB       ALA  59   9.491  11.471  15.165
  461   2HB   ALA  59          2HB       ALA  59   8.780   9.863  15.027
  462   3HB   ALA  59          3HB       ALA  59   8.814  10.935  13.626
  463    H    GLN  60           H        GLN  60  11.469   7.727  14.616
  464    HA   GLN  60           HA       GLN  60  12.315   8.214  17.344
  465   1HB   GLN  60          2HB       GLN  60  12.497   5.694  15.671
  466   2HB   GLN  60          1HB       GLN  60  12.761   5.804  17.404
  467   1HG   GLN  60          2HG       GLN  60  10.161   6.349  15.991
  468   2HG   GLN  60          1HG       GLN  60  10.572   4.876  16.868
  469   1HE2  GLN  60          1HE2      GLN  60  10.635   4.906  19.110
  470   2HE2  GLN  60          2HE2      GLN  60   9.942   6.195  20.029
  471    HA   PRO  61           HA       PRO  61  16.549   8.890  16.202
  472   1HB   PRO  61          2HB       PRO  61  17.714   8.583  18.610
  473   2HB   PRO  61          1HB       PRO  61  16.685   9.972  18.240
  474   1HG   PRO  61          2HG       PRO  61  16.027   7.475  19.753
  475   2HG   PRO  61          1HG       PRO  61  15.596   9.156  20.120
  476   1HD   PRO  61          2HD       PRO  61  13.887   7.387  18.924
  477   2HD   PRO  61          1HD       PRO  61  13.807   9.142  18.690
  478    H    SER  62           H        SER  62  18.783   7.767  17.069
  479    HA   SER  62           HA       SER  62  18.642   5.087  16.035
  480   1HB   SER  62          2HB       SER  62  20.988   6.677  17.099
  481   2HB   SER  62          1HB       SER  62  21.106   5.122  16.275
  482    HG   SER  62           HG       SER  62  20.237   7.613  15.238
  483    H    LEU  63           H        LEU  63  20.165   3.447  17.245
  484    HA   LEU  63           HA       LEU  63  20.430   2.007  18.961
  485   1HB   LEU  63          2HB       LEU  63  20.020   4.524  20.546
  486   2HB   LEU  63          1HB       LEU  63  20.189   2.973  21.341
  487    HG   LEU  63           HG       LEU  63  22.411   2.724  20.156
  488   1HD1  LEU  63          1HD1      LEU  63  21.968   5.647  19.573
  489   2HD1  LEU  63          2HD1      LEU  63  22.098   4.348  18.386
  490   3HD1  LEU  63          3HD1      LEU  63  23.491   4.781  19.377
  491   1HD2  LEU  63          1HD2      LEU  63  23.583   4.213  21.726
  492   2HD2  LEU  63          2HD2      LEU  63  22.286   3.300  22.496
  493   3HD2  LEU  63          3HD2      LEU  63  22.048   4.999  22.095
  494    H    GLU  64           H        GLU  64  17.688   2.832  17.838
  495    HA   GLU  64           HA       GLU  64  15.746   2.159  19.773
  496   1HB   GLU  64          2HB       GLU  64  15.864   2.361  16.825
  497   2HB   GLU  64          1HB       GLU  64  14.640   1.266  17.455
  498   1HG   GLU  64          2HG       GLU  64  14.927   4.125  18.339
  499   2HG   GLU  64          1HG       GLU  64  13.863   3.601  17.033
  500    H    HIS  65           H        HIS  65  15.040   0.225  20.525
  501    HA   HIS  65           HA       HIS  65  16.660  -2.103  19.928
  502   1HB   HIS  65          2HB       HIS  65  14.361  -1.675  21.846
  503   2HB   HIS  65          1HB       HIS  65  15.187  -3.218  21.657
  504    HD1  HIS  65           1HD      HIS  65  18.033  -2.750  21.904
  505    HD2  HIS  65           2HD      HIS  65  15.318  -0.383  23.989
  506    HE1  HIS  65           1HE      HIS  65  19.317  -1.774  23.826
  507    HE2  HIS  65           2HE      HIS  65  17.598  -0.561  25.202
  508    H    HIS  66           H        HIS  66  14.799  -0.971  17.894
  509    HA   HIS  66           HA       HIS  66  12.922  -3.168  17.558
  510   1HB   HIS  66          2HB       HIS  66  13.185  -0.461  16.336
  511   2HB   HIS  66          1HB       HIS  66  12.376  -1.719  15.407
  512    HD1  HIS  66           1HD      HIS  66  11.742   0.792  17.963
  513    HD2  HIS  66           2HD      HIS  66  10.136  -2.908  16.902
  514    HE1  HIS  66           1HE      HIS  66   9.480   0.683  19.057
  515    HE2  HIS  66           2HE      HIS  66   8.633  -1.645  18.585
  516    H    HIS  67           H        HIS  67  14.412  -4.790  17.191
  517    HA   HIS  67           HA       HIS  67  15.827  -4.714  14.613
  518   1HB   HIS  67          2HB       HIS  67  17.165  -5.330  16.605
  519   2HB   HIS  67          1HB       HIS  67  16.062  -6.658  16.934
  520    HD1  HIS  67           1HD      HIS  67  18.964  -5.679  14.827
  521    HD2  HIS  67           2HD      HIS  67  16.328  -8.876  15.198
  522    HE1  HIS  67           1HE      HIS  67  20.004  -7.573  13.536
  523    HE2  HIS  67           2HE      HIS  67  18.502  -9.554  13.980
  524    H    HIS  68           H        HIS  68  15.150  -6.047  12.952
  525    HA   HIS  68           HA       HIS  68  12.461  -6.906  13.125
  526   1HB   HIS  68          2HB       HIS  68  12.680  -7.717  10.839
  527   2HB   HIS  68          1HB       HIS  68  13.397  -6.124  11.000
  528    HD1  HIS  68           1HD      HIS  68  15.639  -5.863   9.997
  529    HD2  HIS  68           2HD      HIS  68  14.763  -9.851  10.801
  530    HE1  HIS  68           1HE      HIS  68  17.525  -7.191   8.997
  531    HE2  HIS  68           2HE      HIS  68  16.878  -9.601   9.331
  532    H    HIS  69           H        HIS  69  11.545  -8.768  13.582
  533    HA   HIS  69           HA       HIS  69  13.223 -10.998  14.417
  534   1HB   HIS  69          2HB       HIS  69  11.254 -10.131  15.778
  535   2HB   HIS  69          1HB       HIS  69  10.203 -10.796  14.535
  536    HD1  HIS  69           1HD      HIS  69   9.486 -13.151  14.868
  537    HD2  HIS  69           2HD      HIS  69  12.905 -12.227  17.052
  538    HE1  HIS  69           1HE      HIS  69   9.954 -15.173  16.291
  539    HE2  HIS  69           2HE      HIS  69  11.911 -14.514  17.738
  540    H    HIS  70           H        HIS  70  12.087  -9.947  11.611
  541    HA   HIS  70           HA       HIS  70  11.254 -12.524  10.523
  542   1HB   HIS  70          2HB       HIS  70  10.027 -10.354  10.002
  543   2HB   HIS  70          1HB       HIS  70  11.448  -9.870   9.087
  544    HD1  HIS  70           1HD      HIS  70   8.318 -11.680   8.815
  545    HD2  HIS  70           2HD      HIS  70  11.947 -11.613   6.781
  546    HE1  HIS  70           1HE      HIS  70   7.866 -12.758   6.584
  547    HE2  HIS  70           2HE      HIS  70  10.084 -12.758   5.383
  Start of MODEL    4
    1   1H    MET   1          1H        MET   1  -6.025 -22.365 -14.967
    2   2H    MET   1          2H        MET   1  -7.039 -22.650 -13.642
    3   3H    MET   1          3H        MET   1  -5.362 -22.581 -13.419
    4    HA   MET   1           HA       MET   1  -7.116 -20.352 -14.258
    5   1HB   MET   1          2HB       MET   1  -5.706 -20.958 -11.655
    6   2HB   MET   1          1HB       MET   1  -6.356 -19.374 -12.050
    7   1HG   MET   1          2HG       MET   1  -7.919 -20.513 -10.664
    8   2HG   MET   1          1HG       MET   1  -8.593 -20.407 -12.286
    9   1HE   MET   1          1HE       MET   1 -10.405 -22.240 -11.741
   10   2HE   MET   1          2HE       MET   1  -9.796 -22.341 -10.092
   11   3HE   MET   1          3HE       MET   1 -10.038 -23.813 -11.032
   12    H    GLU   2           H        GLU   2  -6.153 -18.894 -15.418
   13    HA   GLU   2           HA       GLU   2  -3.354 -18.204 -14.907
   14   1HB   GLU   2          2HB       GLU   2  -4.506 -18.814 -17.636
   15   2HB   GLU   2          1HB       GLU   2  -3.009 -17.927 -17.396
   16   1HG   GLU   2          2HG       GLU   2  -2.012 -19.857 -16.323
   17   2HG   GLU   2          1HG       GLU   2  -3.526 -20.748 -16.488
   18    H    SER   3           H        SER   3  -4.170 -16.374 -13.864
   19    HA   SER   3           HA       SER   3  -5.059 -14.245 -15.633
   20   1HB   SER   3          2HB       SER   3  -6.723 -15.095 -13.247
   21   2HB   SER   3          1HB       SER   3  -7.025 -13.685 -14.260
   22    HG   SER   3           HG       SER   3  -6.880 -15.612 -15.954
   23    H    ARG   4           H        ARG   4  -3.979 -12.468 -15.123
   24    HA   ARG   4           HA       ARG   4  -2.800 -12.262 -12.444
   25   1HB   ARG   4          2HB       ARG   4  -2.164 -10.728 -14.974
   26   2HB   ARG   4          1HB       ARG   4  -1.338 -10.537 -13.433
   27   1HG   ARG   4          2HG       ARG   4  -0.600 -12.880 -13.568
   28   2HG   ARG   4          1HG       ARG   4  -1.371 -13.009 -15.151
   29   1HD   ARG   4          2HD       ARG   4   0.846 -11.101 -14.417
   30   2HD   ARG   4          1HD       ARG   4   1.034 -12.589 -15.343
   31    HE   ARG   4           HE       ARG   4  -0.607 -11.446 -16.956
   32   1HH1  ARG   4          1HH1      ARG   4   1.762  -9.758 -15.000
   33   2HH1  ARG   4          2HH1      ARG   4   1.944  -8.444 -16.129
   34   1HH2  ARG   4          1HH2      ARG   4  -0.351  -9.755 -18.446
   35   2HH2  ARG   4          2HH2      ARG   4   0.717  -8.428 -18.091
   36    H    LEU   5           H        LEU   5  -4.547 -11.504 -11.279
   37    HA   LEU   5           HA       LEU   5  -6.045  -9.232 -12.299
   38   1HB   LEU   5          2HB       LEU   5  -6.442 -10.876  -9.799
   39   2HB   LEU   5          1HB       LEU   5  -7.522  -9.615 -10.362
   40    HG   LEU   5           HG       LEU   5  -6.938 -12.203 -11.801
   41   1HD1  LEU   5          1HD1      LEU   5  -9.285 -12.724 -11.280
   42   2HD1  LEU   5          2HD1      LEU   5  -9.375 -11.258 -10.303
   43   3HD1  LEU   5          3HD1      LEU   5  -8.290 -12.566  -9.834
   44   1HD2  LEU   5          1HD2      LEU   5  -8.862  -9.983 -12.483
   45   2HD2  LEU   5          2HD2      LEU   5  -8.707 -11.523 -13.331
   46   3HD2  LEU   5          3HD2      LEU   5  -7.375 -10.367 -13.352
   47    H    LEU   6           H        LEU   6  -3.814  -8.124 -12.028
   48    HA   LEU   6           HA       LEU   6  -3.801  -6.794  -9.399
   49   1HB   LEU   6          2HB       LEU   6  -1.524  -7.254 -11.332
   50   2HB   LEU   6          1HB       LEU   6  -1.426  -6.155  -9.973
   51    HG   LEU   6           HG       LEU   6  -1.990  -8.201  -8.520
   52   1HD1  LEU   6          1HD1      LEU   6  -1.081  -9.601 -11.027
   53   2HD1  LEU   6          2HD1      LEU   6  -2.678  -9.716 -10.290
   54   3HD1  LEU   6          3HD1      LEU   6  -1.267 -10.346  -9.441
   55   1HD2  LEU   6          1HD2      LEU   6   0.360  -8.838  -8.414
   56   2HD2  LEU   6          2HD2      LEU   6   0.175  -7.088  -8.546
   57   3HD2  LEU   6          3HD2      LEU   6   0.652  -8.034  -9.956
   58    H    ASP   7           H        ASP   7  -2.568  -4.537  -9.788
   59    HA   ASP   7           HA       ASP   7  -2.721  -2.413 -10.559
   60   1HB   ASP   7          2HB       ASP   7  -3.408  -3.727 -13.199
   61   2HB   ASP   7          1HB       ASP   7  -2.961  -2.038 -12.982
   62    H    ILE   8           H        ILE   8  -5.067  -3.922  -9.543
   63    HA   ILE   8           HA       ILE   8  -7.298  -2.574 -10.891
   64    HB   ILE   8           HB       ILE   8  -8.753  -3.989  -9.470
   65   1HG1  ILE   8          2HG1      ILE   8  -6.157  -5.266  -8.575
   66   2HG1  ILE   8          1HG1      ILE   8  -7.181  -4.244  -7.574
   67   1HG2  ILE   8          1HG2      ILE   8  -8.257  -6.113 -10.596
   68   2HG2  ILE   8          2HG2      ILE   8  -6.674  -5.490 -11.057
   69   3HG2  ILE   8          3HG2      ILE   8  -8.135  -4.737 -11.692
   70   1HD1  ILE   8          1HD1      ILE   8  -7.945  -6.905  -8.741
   71   2HD1  ILE   8          2HD1      ILE   8  -8.987  -5.875  -7.759
   72   3HD1  ILE   8          3HD1      ILE   8  -7.527  -6.579  -7.059
   73    H    LEU   9           H        LEU   9  -5.297  -2.329  -8.153
   74    HA   LEU   9           HA       LEU   9  -7.224  -0.720  -6.655
   75   1HB   LEU   9          2HB       LEU   9  -4.436  -1.644  -5.947
   76   2HB   LEU   9          1HB       LEU   9  -5.506  -0.756  -4.879
   77    HG   LEU   9           HG       LEU   9  -6.124  -3.492  -5.990
   78   1HD1  LEU   9          1HD1      LEU   9  -5.057  -2.714  -3.280
   79   2HD1  LEU   9          2HD1      LEU   9  -4.173  -3.585  -4.531
   80   3HD1  LEU   9          3HD1      LEU   9  -5.574  -4.329  -3.761
   81   1HD2  LEU   9          1HD2      LEU   9  -7.853  -3.515  -4.272
   82   2HD2  LEU   9          2HD2      LEU   9  -8.088  -2.173  -5.390
   83   3HD2  LEU   9          3HD2      LEU   9  -7.407  -1.878  -3.790
   84    H    VAL  10           H        VAL  10  -7.357   1.292  -7.414
   85    HA   VAL  10           HA       VAL  10  -4.880   2.841  -7.649
   86    HB   VAL  10           HB       VAL  10  -5.820   4.053  -9.609
   87   1HG1  VAL  10          1HG1      VAL  10  -5.471   1.088 -10.023
   88   2HG1  VAL  10          2HG1      VAL  10  -4.178   2.283  -9.940
   89   3HG1  VAL  10          3HG1      VAL  10  -5.336   2.329 -11.269
   90   1HG2  VAL  10          1HG2      VAL  10  -8.182   3.549  -9.282
   91   2HG2  VAL  10          2HG2      VAL  10  -7.877   1.842  -9.603
   92   3HG2  VAL  10          3HG2      VAL  10  -7.656   3.032 -10.886
   93    H    CYS  11           H        CYS  11  -5.178   5.129  -7.408
   94    HA   CYS  11           HA       CYS  11  -7.138   5.895  -5.490
   95   1HB   CYS  11          2HB       CYS  11  -4.959   6.962  -5.523
   96   2HB   CYS  11          1HB       CYS  11  -5.214   7.514  -7.174
   97    HG   CYS  11           HG       CYS  11  -5.361   9.661  -5.302
   98    HA   PRO  12           HA       PRO  12 -10.449   6.791  -8.335
   99   1HB   PRO  12          2HB       PRO  12 -11.525   8.521  -6.212
  100   2HB   PRO  12          1HB       PRO  12 -12.223   7.071  -6.938
  101   1HG   PRO  12          2HG       PRO  12 -11.268   7.073  -4.430
  102   2HG   PRO  12          1HG       PRO  12 -11.131   5.654  -5.485
  103   1HD   PRO  12          2HD       PRO  12  -9.053   7.699  -4.783
  104   2HD   PRO  12          1HD       PRO  12  -8.895   5.935  -4.938
  105    H    VAL  13           H        VAL  13  -8.588   9.226  -6.688
  106    HA   VAL  13           HA       VAL  13  -9.745  11.419  -8.173
  107    HB   VAL  13           HB       VAL  13  -7.327  11.448  -6.359
  108   1HG1  VAL  13          1HG1      VAL  13  -9.103  13.671  -7.360
  109   2HG1  VAL  13          2HG1      VAL  13  -7.420  13.389  -7.809
  110   3HG1  VAL  13          3HG1      VAL  13  -7.827  13.851  -6.157
  111   1HG2  VAL  13          1HG2      VAL  13 -10.214  12.041  -5.718
  112   2HG2  VAL  13          2HG2      VAL  13  -8.846  12.261  -4.625
  113   3HG2  VAL  13          3HG2      VAL  13  -9.294  10.641  -5.163
  114    H    CYS  14           H        CYS  14  -6.357  10.371  -7.789
  115    HA   CYS  14           HA       CYS  14  -5.744  11.636 -10.339
  116   1HB   CYS  14          2HB       CYS  14  -3.905  10.440  -8.256
  117   2HB   CYS  14          1HB       CYS  14  -3.394  11.343  -9.678
  118    HG   CYS  14           HG       CYS  14  -4.155  12.465  -6.709
  119    H    LYS  15           H        LYS  15  -6.820   8.687  -9.536
  120    HA   LYS  15           HA       LYS  15  -6.652   6.566 -10.314
  121   1HB   LYS  15          2HB       LYS  15  -5.838   8.126 -12.761
  122   2HB   LYS  15          1HB       LYS  15  -6.151   6.395 -12.778
  123   1HG   LYS  15          2HG       LYS  15  -8.125   8.514 -11.959
  124   2HG   LYS  15          1HG       LYS  15  -8.087   7.693 -13.516
  125   1HD   LYS  15          2HD       LYS  15  -8.470   5.548 -12.398
  126   2HD   LYS  15          1HD       LYS  15  -8.488   6.369 -10.837
  127   1HE   LYS  15          2HE       LYS  15 -10.752   5.933 -11.575
  128   2HE   LYS  15          1HE       LYS  15 -10.444   7.668 -11.558
  129   1HZ   LYS  15          1HZ       LYS  15 -10.122   7.616 -13.943
  130   2HZ   LYS  15          2HZ       LYS  15 -11.641   6.965 -13.554
  131   3HZ   LYS  15          3HZ       LYS  15 -10.361   5.935 -13.975
  132    H    GLY  16           H        GLY  16  -4.302   7.693  -9.000
  133   1HA   GLY  16          2HA       GLY  16  -1.996   6.549 -10.254
  134   2HA   GLY  16          1HA       GLY  16  -2.082   7.199  -8.619
  135    H    ARG  17           H        ARG  17  -1.168   4.579 -10.017
  136    HA   ARG  17           HA       ARG  17  -2.703   2.475  -8.936
  137   1HB   ARG  17          2HB       ARG  17   0.204   2.555  -9.765
  138   2HB   ARG  17          1HB       ARG  17  -0.690   1.086  -9.400
  139   1HG   ARG  17          2HG       ARG  17  -2.082   1.343 -11.286
  140   2HG   ARG  17          1HG       ARG  17  -1.555   3.007 -11.540
  141   1HD   ARG  17          2HD       ARG  17   0.690   2.215 -12.091
  142   2HD   ARG  17          1HD       ARG  17   0.177   0.551 -11.818
  143    HE   ARG  17           HE       ARG  17  -0.717   0.529 -13.913
  144   1HH1  ARG  17          1HH1      ARG  17  -0.297   3.875 -12.955
  145   2HH1  ARG  17          2HH1      ARG  17  -0.746   4.512 -14.499
  146   1HH2  ARG  17          1HH2      ARG  17  -1.315   1.371 -15.964
  147   2HH2  ARG  17          2HH2      ARG  17  -1.320   3.097 -16.211
  148    H    LEU  18           H        LEU  18  -2.651   1.451  -7.013
  149    HA   LEU  18           HA       LEU  18  -1.165   2.715  -4.871
  150   1HB   LEU  18          2HB       LEU  18  -3.061   0.361  -4.788
  151   2HB   LEU  18          1HB       LEU  18  -2.428   1.224  -3.401
  152    HG   LEU  18           HG       LEU  18  -4.308   2.352  -5.479
  153   1HD1  LEU  18          1HD1      LEU  18  -4.732   1.653  -2.576
  154   2HD1  LEU  18          2HD1      LEU  18  -5.378   0.775  -3.962
  155   3HD1  LEU  18          3HD1      LEU  18  -5.910   2.423  -3.637
  156   1HD2  LEU  18          1HD2      LEU  18  -2.776   4.058  -4.657
  157   2HD2  LEU  18          2HD2      LEU  18  -3.164   3.621  -2.993
  158   3HD2  LEU  18          3HD2      LEU  18  -4.405   4.321  -4.033
  159    H    GLU  19           H        GLU  19   0.301   1.631  -3.512
  160    HA   GLU  19           HA       GLU  19   1.452  -0.832  -4.644
  161   1HB   GLU  19          2HB       GLU  19   2.858   1.629  -3.619
  162   2HB   GLU  19          1HB       GLU  19   3.670   0.080  -3.713
  163   1HG   GLU  19          2HG       GLU  19   2.668   0.242  -6.204
  164   2HG   GLU  19          1HG       GLU  19   2.908   1.953  -5.842
  165    H    PHE  20           H        PHE  20   1.890  -2.442  -3.230
  166    HA   PHE  20           HA       PHE  20   0.689  -2.100  -0.612
  167   1HB   PHE  20          2HB       PHE  20   0.035  -4.008  -2.044
  168   2HB   PHE  20          1HB       PHE  20   1.687  -4.612  -1.968
  169    HD1  PHE  20           1HD      PHE  20  -1.290  -3.845   0.100
  170    HD2  PHE  20           2HD      PHE  20   2.391  -5.960  -0.192
  171    HE1  PHE  20           1HE      PHE  20  -1.850  -5.089   2.143
  172    HE2  PHE  20           2HE      PHE  20   1.839  -7.207   1.858
  173    HZ   PHE  20           HZ       PHE  20  -0.288  -6.772   3.026
  174    H    GLN  21           H        GLN  21   1.893  -1.510   1.022
  175    HA   GLN  21           HA       GLN  21   4.711  -2.141   1.172
  176   1HB   GLN  21          2HB       GLN  21   2.844  -0.758   3.111
  177   2HB   GLN  21          1HB       GLN  21   4.568  -0.960   3.368
  178   1HG   GLN  21          2HG       GLN  21   3.365   0.528   1.050
  179   2HG   GLN  21          1HG       GLN  21   3.903   1.281   2.549
  180   1HE2  GLN  21          1HE2      GLN  21   5.452   2.523   1.586
  181   2HE2  GLN  21          2HE2      GLN  21   6.913   1.864   0.926
  182    H    ARG  22           H        ARG  22   5.226  -4.172   1.679
  183    HA   ARG  22           HA       ARG  22   3.572  -5.846   3.301
  184   1HB   ARG  22          2HB       ARG  22   6.351  -6.183   2.189
  185   2HB   ARG  22          1HB       ARG  22   5.597  -7.390   3.223
  186   1HG   ARG  22          2HG       ARG  22   3.793  -7.663   1.630
  187   2HG   ARG  22          1HG       ARG  22   4.491  -6.410   0.603
  188   1HD   ARG  22          2HD       ARG  22   6.437  -7.763   0.190
  189   2HD   ARG  22          1HD       ARG  22   5.889  -8.976   1.350
  190    HE   ARG  22           HE       ARG  22   3.992  -9.380  -0.185
  191   1HH1  ARG  22          1HH1      ARG  22   6.931  -7.939  -1.441
  192   2HH1  ARG  22          2HH1      ARG  22   6.616  -8.420  -3.079
  193   1HH2  ARG  22          1HH2      ARG  22   3.576 -10.010  -2.317
  194   2HH2  ARG  22          2HH2      ARG  22   4.716  -9.622  -3.572
  195    H    ALA  23           H        ALA  23   3.325  -4.706   5.196
  196    HA   ALA  23           HA       ALA  23   5.215  -5.235   7.245
  197   1HB   ALA  23          1HB       ALA  23   4.906  -2.338   6.441
  198   2HB   ALA  23          2HB       ALA  23   6.365  -3.310   6.247
  199   3HB   ALA  23          3HB       ALA  23   5.766  -2.930   7.863
  200    H    GLN  24           H        GLN  24   2.789  -2.735   6.480
  201    HA   GLN  24           HA       GLN  24   1.238  -3.671   8.804
  202   1HB   GLN  24          2HB       GLN  24   1.264  -0.827   7.805
  203   2HB   GLN  24          1HB       GLN  24   0.619  -1.438   9.322
  204   1HG   GLN  24          2HG       GLN  24   2.917  -1.987  10.040
  205   2HG   GLN  24          1HG       GLN  24   3.525  -1.262   8.552
  206   1HE2  GLN  24          1HE2      GLN  24   3.257   0.993   8.235
  207   2HE2  GLN  24          2HE2      GLN  24   3.066   2.051   9.595
  208    H    ALA  25           H        ALA  25   1.175  -4.188   5.820
  209    HA   ALA  25           HA       ALA  25  -0.257  -4.329   4.074
  210   1HB   ALA  25          1HB       ALA  25  -2.354  -4.228   6.242
  211   2HB   ALA  25          2HB       ALA  25  -1.501  -5.673   5.695
  212   3HB   ALA  25          3HB       ALA  25  -2.582  -4.816   4.594
  213    H    GLU  26           H        GLU  26   0.603  -2.060   3.708
  214    HA   GLU  26           HA       GLU  26  -1.604  -0.105   3.783
  215   1HB   GLU  26          2HB       GLU  26   1.367   0.466   3.774
  216   2HB   GLU  26          1HB       GLU  26   0.078   1.657   3.878
  217   1HG   GLU  26          2HG       GLU  26  -0.580   0.805   6.038
  218   2HG   GLU  26          1HG       GLU  26   0.635  -0.469   5.933
  219    H    LEU  27           H        LEU  27  -2.351   0.541   1.852
  220    HA   LEU  27           HA       LEU  27  -0.718   0.051  -0.535
  221   1HB   LEU  27          2HB       LEU  27  -3.584   0.959  -0.322
  222   2HB   LEU  27          1HB       LEU  27  -2.749   0.560  -1.797
  223    HG   LEU  27           HG       LEU  27  -3.325  -1.406   0.415
  224   1HD1  LEU  27          1HD1      LEU  27  -5.002  -2.317  -1.111
  225   2HD1  LEU  27          2HD1      LEU  27  -4.675  -1.012  -2.252
  226   3HD1  LEU  27          3HD1      LEU  27  -5.374  -0.649  -0.674
  227   1HD2  LEU  27          1HD2      LEU  27  -2.614  -3.079  -1.183
  228   2HD2  LEU  27          2HD2      LEU  27  -1.323  -1.901  -0.943
  229   3HD2  LEU  27          3HD2      LEU  27  -2.320  -1.833  -2.395
  230    H    VAL  28           H        VAL  28   0.672   1.661  -0.866
  231    HA   VAL  28           HA       VAL  28  -0.057   4.390  -0.193
  232    HB   VAL  28           HB       VAL  28   2.507   3.357  -1.419
  233   1HG1  VAL  28          1HG1      VAL  28   2.121   5.727  -1.836
  234   2HG1  VAL  28          2HG1      VAL  28   3.460   5.483  -0.716
  235   3HG1  VAL  28          3HG1      VAL  28   1.887   6.001  -0.110
  236   1HG2  VAL  28          1HG2      VAL  28   1.846   3.971   1.459
  237   2HG2  VAL  28          2HG2      VAL  28   3.442   3.546   0.836
  238   3HG2  VAL  28          3HG2      VAL  28   2.127   2.372   0.768
  239    H    CYS  29           H        CYS  29  -1.099   5.638  -1.581
  240    HA   CYS  29           HA       CYS  29  -1.234   5.151  -4.380
  241   1HB   CYS  29          2HB       CYS  29  -2.997   6.426  -3.255
  242   2HB   CYS  29          1HB       CYS  29  -1.837   7.676  -2.815
  243    HG   CYS  29           HG       CYS  29  -3.266   8.822  -4.841
  244    H    ASN  30           H        ASN  30   0.412   5.356  -5.712
  245    HA   ASN  30           HA       ASN  30   2.777   6.750  -4.883
  246   1HB   ASN  30          2HB       ASN  30   2.295   4.567  -6.462
  247   2HB   ASN  30          1HB       ASN  30   2.610   5.800  -7.677
  248   1HD2  ASN  30          1HD2      ASN  30   3.922   3.962  -5.050
  249   2HD2  ASN  30          2HD2      ASN  30   5.581   4.322  -5.348
  250    H    ALA  31           H        ALA  31   0.102   8.052  -5.823
  251    HA   ALA  31           HA       ALA  31   1.385  10.090  -7.511
  252   1HB   ALA  31          1HB       ALA  31  -0.863  10.678  -8.290
  253   2HB   ALA  31          2HB       ALA  31  -1.548   9.412  -7.269
  254   3HB   ALA  31          3HB       ALA  31  -0.495   8.983  -8.617
  255    H    ASP  32           H        ASP  32  -0.952   9.583  -4.886
  256    HA   ASP  32           HA       ASP  32  -0.893  12.429  -4.256
  257   1HB   ASP  32          2HB       ASP  32  -2.606  10.217  -3.114
  258   2HB   ASP  32          1HB       ASP  32  -2.776  11.930  -2.765
  259    H    ARG  33           H        ARG  33   1.024   9.950  -3.385
  260    HA   ARG  33           HA       ARG  33   2.242   9.328  -1.583
  261   1HB   ARG  33          2HB       ARG  33   1.924  12.284  -1.287
  262   2HB   ARG  33          1HB       ARG  33   2.745  11.375  -0.027
  263   1HG   ARG  33          2HG       ARG  33   4.329  12.280  -1.584
  264   2HG   ARG  33          1HG       ARG  33   4.338  10.531  -1.670
  265   1HD   ARG  33          2HD       ARG  33   2.854  10.732  -3.678
  266   2HD   ARG  33          1HD       ARG  33   3.113  12.476  -3.612
  267    HE   ARG  33           HE       ARG  33   5.628  11.539  -3.621
  268   1HH1  ARG  33          1HH1      ARG  33   2.888  10.989  -5.716
  269   2HH1  ARG  33          2HH1      ARG  33   3.857  10.445  -7.048
  270   1HH2  ARG  33          1HH2      ARG  33   6.908  10.885  -5.364
  271   2HH2  ARG  33          2HH2      ARG  33   6.155  10.388  -6.852
  272    H    LEU  34           H        LEU  34  -0.317   8.530  -1.260
  273    HA   LEU  34           HA       LEU  34  -0.795   9.031   1.604
  274   1HB   LEU  34          2HB       LEU  34  -2.825   8.831  -0.611
  275   2HB   LEU  34          1HB       LEU  34  -3.245   8.617   1.079
  276    HG   LEU  34           HG       LEU  34  -1.950  11.110   0.004
  277   1HD1  LEU  34          1HD1      LEU  34  -4.136  10.796  -1.043
  278   2HD1  LEU  34          2HD1      LEU  34  -4.173  12.130   0.110
  279   3HD1  LEU  34          3HD1      LEU  34  -4.867  10.569   0.545
  280   1HD2  LEU  34          1HD2      LEU  34  -3.382  10.538   2.591
  281   2HD2  LEU  34          2HD2      LEU  34  -2.689  12.085   2.107
  282   3HD2  LEU  34          3HD2      LEU  34  -1.637  10.698   2.393
  283    H    ALA  35           H        ALA  35  -1.028   7.312   2.846
  284    HA   ALA  35           HA       ALA  35  -0.895   4.670   1.564
  285   1HB   ALA  35          1HB       ALA  35   0.913   5.237   3.116
  286   2HB   ALA  35          2HB       ALA  35  -0.027   3.860   3.685
  287   3HB   ALA  35          3HB       ALA  35  -0.262   5.449   4.413
  288    H    PHE  36           H        PHE  36  -2.646   3.515   1.464
  289    HA   PHE  36           HA       PHE  36  -4.823   4.008   3.376
  290   1HB   PHE  36          2HB       PHE  36  -4.917   2.729   0.636
  291   2HB   PHE  36          1HB       PHE  36  -6.302   3.040   1.673
  292    HD1  PHE  36           2HD      PHE  36  -6.512   5.583   2.434
  293    HD2  PHE  36           1HD      PHE  36  -4.467   4.218  -1.029
  294    HE1  PHE  36           2HE      PHE  36  -6.733   7.820   1.433
  295    HE2  PHE  36           1HE      PHE  36  -4.676   6.447  -2.039
  296    HZ   PHE  36           HZ       PHE  36  -5.802   8.257  -0.808
  297    HA   PRO  37           HA       PRO  37  -3.461   0.045   4.984
  298   1HB   PRO  37          2HB       PRO  37  -5.600   0.409   6.948
  299   2HB   PRO  37          1HB       PRO  37  -3.855   0.330   7.197
  300   1HG   PRO  37          2HG       PRO  37  -5.249   2.617   7.503
  301   2HG   PRO  37          1HG       PRO  37  -3.576   2.599   6.912
  302   1HD   PRO  37          2HD       PRO  37  -6.131   2.873   5.365
  303   2HD   PRO  37          1HD       PRO  37  -4.596   3.750   5.168
  304    H    VAL  38           H        VAL  38  -4.091  -1.959   4.515
  305    HA   VAL  38           HA       VAL  38  -6.752  -2.417   3.445
  306    HB   VAL  38           HB       VAL  38  -4.497  -4.405   3.818
  307   1HG1  VAL  38          1HG1      VAL  38  -6.658  -5.487   3.579
  308   2HG1  VAL  38          2HG1      VAL  38  -5.715  -5.704   2.105
  309   3HG1  VAL  38          3HG1      VAL  38  -7.012  -4.513   2.150
  310   1HG2  VAL  38          1HG2      VAL  38  -5.245  -2.740   1.415
  311   2HG2  VAL  38          2HG2      VAL  38  -4.092  -4.072   1.399
  312   3HG2  VAL  38          3HG2      VAL  38  -3.757  -2.626   2.353
  313    H    ARG  39           H        ARG  39  -8.369  -2.752   4.855
  314    HA   ARG  39           HA       ARG  39  -7.750  -3.833   7.495
  315   1HB   ARG  39          2HB       ARG  39  -9.125  -1.741   7.196
  316   2HB   ARG  39          1HB       ARG  39 -10.378  -2.738   6.476
  317   1HG   ARG  39          2HG       ARG  39 -10.699  -3.920   8.541
  318   2HG   ARG  39          1HG       ARG  39  -9.326  -3.087   9.277
  319   1HD   ARG  39          2HD       ARG  39 -10.501  -0.944   9.001
  320   2HD   ARG  39          1HD       ARG  39 -11.870  -1.794   8.293
  321    HE   ARG  39           HE       ARG  39 -11.507  -2.969  10.740
  322   1HH1  ARG  39          1HH1      ARG  39 -12.069   0.313   9.632
  323   2HH1  ARG  39          2HH1      ARG  39 -12.965   0.765  11.049
  324   1HH2  ARG  39          1HH2      ARG  39 -12.663  -2.356  12.601
  325   2HH2  ARG  39          2HH2      ARG  39 -13.299  -0.742  12.729
  326    H    ASP  40           H        ASP  40  -7.274  -5.874   6.326
  327    HA   ASP  40           HA       ASP  40  -7.717  -8.014   5.754
  328   1HB   ASP  40          2HB       ASP  40  -8.579  -8.065   8.051
  329   2HB   ASP  40          1HB       ASP  40 -10.169  -7.583   7.470
  330    H    GLY  41           H        GLY  41  -8.009  -7.314   3.535
  331   1HA   GLY  41          2HA       GLY  41  -9.202  -8.114   1.644
  332   2HA   GLY  41          1HA       GLY  41 -10.674  -8.092   2.598
  333    H    VAL  42           H        VAL  42 -10.676  -5.498   3.575
  334    HA   VAL  42           HA       VAL  42 -11.157  -4.061   1.058
  335    HB   VAL  42           HB       VAL  42 -12.372  -3.593   3.784
  336   1HG1  VAL  42          1HG1      VAL  42 -13.852  -2.013   2.634
  337   2HG1  VAL  42          2HG1      VAL  42 -12.966  -2.277   1.132
  338   3HG1  VAL  42          3HG1      VAL  42 -12.163  -1.518   2.506
  339   1HG2  VAL  42          1HG2      VAL  42 -13.215  -5.619   2.782
  340   2HG2  VAL  42          2HG2      VAL  42 -13.513  -4.781   1.260
  341   3HG2  VAL  42          3HG2      VAL  42 -14.453  -4.369   2.694
  342    HA   PRO  43           HA       PRO  43  -7.783  -1.397   2.402
  343   1HB   PRO  43          2HB       PRO  43  -7.719   0.083   0.131
  344   2HB   PRO  43          1HB       PRO  43  -6.976  -1.516   0.251
  345   1HG   PRO  43          2HG       PRO  43  -9.596  -0.724  -0.946
  346   2HG   PRO  43          1HG       PRO  43  -8.395  -1.884  -1.543
  347   1HD   PRO  43          2HD       PRO  43 -10.668  -2.627  -0.234
  348   2HD   PRO  43          1HD       PRO  43  -9.165  -3.568  -0.180
  349    H    ILE  44           H        ILE  44  -8.259   0.161   3.820
  350    HA   ILE  44           HA       ILE  44 -10.680   1.699   3.556
  351    HB   ILE  44           HB       ILE  44  -8.484   1.997   5.615
  352   1HG1  ILE  44          2HG1      ILE  44  -9.412  -0.258   5.684
  353   2HG1  ILE  44          1HG1      ILE  44  -9.961   0.660   7.081
  354   1HG2  ILE  44          1HG2      ILE  44 -11.336   2.972   5.558
  355   2HG2  ILE  44          2HG2      ILE  44  -9.878   3.962   5.481
  356   3HG2  ILE  44          3HG2      ILE  44 -10.263   3.073   6.956
  357   1HD1  ILE  44          1HD1      ILE  44 -11.759  -0.669   6.175
  358   2HD1  ILE  44          2HD1      ILE  44 -11.554   0.086   4.596
  359   3HD1  ILE  44          3HD1      ILE  44 -12.107   1.047   5.967
  360    H    MET  45           H        MET  45 -10.572   3.082   1.898
  361    HA   MET  45           HA       MET  45  -8.234   4.807   1.606
  362   1HB   MET  45          2HB       MET  45 -10.654   4.546  -0.198
  363   2HB   MET  45          1HB       MET  45  -9.166   5.415  -0.560
  364   1HG   MET  45          2HG       MET  45  -7.932   3.276  -0.385
  365   2HG   MET  45          1HG       MET  45  -9.473   2.449  -0.179
  366   1HE   MET  45          1HE       MET  45  -7.068   4.298  -2.603
  367   2HE   MET  45          2HE       MET  45  -8.407   5.445  -2.534
  368   3HE   MET  45          3HE       MET  45  -8.076   4.562  -4.023
  369    H    LEU  46           H        LEU  46 -10.240   5.032   3.765
  370    HA   LEU  46           HA       LEU  46 -11.615   7.532   3.245
  371   1HB   LEU  46          2HB       LEU  46 -11.352   5.907   5.779
  372   2HB   LEU  46          1HB       LEU  46 -12.388   7.307   5.581
  373    HG   LEU  46           HG       LEU  46 -12.678   4.720   4.050
  374   1HD1  LEU  46          1HD1      LEU  46 -13.169   4.422   6.419
  375   2HD1  LEU  46          2HD1      LEU  46 -14.637   4.332   5.446
  376   3HD1  LEU  46          3HD1      LEU  46 -14.277   5.793   6.368
  377   1HD2  LEU  46          1HD2      LEU  46 -13.494   6.663   2.826
  378   2HD2  LEU  46          2HD2      LEU  46 -14.458   7.147   4.221
  379   3HD2  LEU  46          3HD2      LEU  46 -14.833   5.651   3.365
  380    H    GLU  47           H        GLU  47 -10.971   9.508   3.952
  381    HA   GLU  47           HA       GLU  47  -8.235   9.958   4.389
  382   1HB   GLU  47          2HB       GLU  47 -10.569  11.810   4.884
  383   2HB   GLU  47          1HB       GLU  47  -8.881  12.297   4.777
  384   1HG   GLU  47          2HG       GLU  47  -8.799  11.550   2.463
  385   2HG   GLU  47          1HG       GLU  47 -10.481  11.029   2.567
  386    H    ALA  48           H        ALA  48 -10.931   9.607   6.582
  387    HA   ALA  48           HA       ALA  48  -9.741  10.612   8.918
  388   1HB   ALA  48          1HB       ALA  48 -11.438   9.361  10.123
  389   2HB   ALA  48          2HB       ALA  48 -11.785   8.408   8.679
  390   3HB   ALA  48          3HB       ALA  48 -12.136  10.134   8.700
  391    H    GLU  49           H        GLU  49  -9.203   7.702   7.168
  392    HA   GLU  49           HA       GLU  49  -7.613   6.609   9.399
  393   1HB   GLU  49          2HB       GLU  49  -9.001   5.129   7.158
  394   2HB   GLU  49          1HB       GLU  49  -7.982   4.384   8.380
  395   1HG   GLU  49          2HG       GLU  49 -10.522   5.887   8.956
  396   2HG   GLU  49          1HG       GLU  49 -10.403   4.135   8.804
  397    H    ALA  50           H        ALA  50  -7.198   8.343   6.762
  398    HA   ALA  50           HA       ALA  50  -5.283   6.700   5.341
  399   1HB   ALA  50          1HB       ALA  50  -5.138   8.555   3.779
  400   2HB   ALA  50          2HB       ALA  50  -6.115   9.557   4.852
  401   3HB   ALA  50          3HB       ALA  50  -6.821   8.130   4.089
  402    H    ARG  51           H        ARG  51  -3.128   6.926   5.322
  403    HA   ARG  51           HA       ARG  51  -1.962   8.878   7.197
  404   1HB   ARG  51          2HB       ARG  51  -1.343   6.693   7.880
  405   2HB   ARG  51          1HB       ARG  51  -1.035   6.175   6.229
  406   1HG   ARG  51          2HG       ARG  51   0.866   7.836   6.191
  407   2HG   ARG  51          1HG       ARG  51   0.627   8.008   7.930
  408   1HD   ARG  51          2HD       ARG  51   1.238   5.791   8.348
  409   2HD   ARG  51          1HD       ARG  51   1.021   5.318   6.662
  410    HE   ARG  51           HE       ARG  51   3.094   7.285   7.184
  411   1HH1  ARG  51          1HH1      ARG  51   2.295   3.893   6.727
  412   2HH1  ARG  51          2HH1      ARG  51   3.904   3.460   6.222
  413   1HH2  ARG  51          1HH2      ARG  51   5.210   6.704   6.513
  414   2HH2  ARG  51          2HH2      ARG  51   5.550   5.055   6.106
  415    H    SER  52           H        SER  52  -0.885  10.541   6.324
  416    HA   SER  52           HA       SER  52  -0.188  10.483   3.515
  417   1HB   SER  52          2HB       SER  52  -1.066  12.550   4.256
  418   2HB   SER  52          1HB       SER  52   0.019  12.608   5.636
  419    HG   SER  52           HG       SER  52   0.469  13.905   3.585
  420    H    LEU  53           H        LEU  53   1.935  10.974   2.763
  421    HA   LEU  53           HA       LEU  53   3.979   9.625   4.337
  422   1HB   LEU  53          2HB       LEU  53   4.078  10.789   1.551
  423   2HB   LEU  53          1HB       LEU  53   5.395   9.922   2.319
  424    HG   LEU  53           HG       LEU  53   2.702   8.790   1.565
  425   1HD1  LEU  53          1HD1      LEU  53   5.475   8.233   0.530
  426   2HD1  LEU  53          2HD1      LEU  53   4.208   9.122  -0.316
  427   3HD1  LEU  53          3HD1      LEU  53   4.000   7.405   0.031
  428   1HD2  LEU  53          1HD2      LEU  53   3.580   6.642   2.343
  429   2HD2  LEU  53          2HD2      LEU  53   3.474   7.811   3.661
  430   3HD2  LEU  53          3HD2      LEU  53   5.038   7.449   2.928
  431    H    ASP  54           H        ASP  54   2.757  12.647   4.156
  432    HA   ASP  54           HA       ASP  54   5.163  14.190   4.420
  433   1HB   ASP  54          2HB       ASP  54   3.103  15.221   3.602
  434   2HB   ASP  54          1HB       ASP  54   2.291  14.846   5.120
  435    H    ALA  55           H        ALA  55   2.661  13.047   6.661
  436    HA   ALA  55           HA       ALA  55   4.224  13.839   8.964
  437   1HB   ALA  55          1HB       ALA  55   1.626  12.314   8.806
  438   2HB   ALA  55          2HB       ALA  55   1.794  14.054   9.041
  439   3HB   ALA  55          3HB       ALA  55   2.367  12.937  10.280
  440    H    GLU  56           H        GLU  56   6.079  12.561   8.505
  441    HA   GLU  56           HA       GLU  56   5.810   9.775   9.342
  442   1HB   GLU  56          2HB       GLU  56   5.730   9.739   6.901
  443   2HB   GLU  56          1HB       GLU  56   7.198  10.698   6.819
  444   1HG   GLU  56          2HG       GLU  56   8.417   8.851   7.914
  445   2HG   GLU  56          1HG       GLU  56   6.937   7.891   7.857
  446    H    ALA  57           H        ALA  57   7.564   8.989  10.430
  447    HA   ALA  57           HA       ALA  57   9.755  10.879  10.934
  448   1HB   ALA  57          1HB       ALA  57   8.898   8.471  12.546
  449   2HB   ALA  57          2HB       ALA  57   8.538  10.155  12.932
  450   3HB   ALA  57          3HB       ALA  57  10.205   9.582  12.956
  451    HA   PRO  58           HA       PRO  58  12.236   8.355   8.188
  452   1HB   PRO  58          2HB       PRO  58  14.384   9.695   9.756
  453   2HB   PRO  58          1HB       PRO  58  14.194   9.542   8.005
  454   1HG   PRO  58          2HG       PRO  58  13.659  11.847   9.224
  455   2HG   PRO  58          1HG       PRO  58  12.647  11.267   7.888
  456   1HD   PRO  58          2HD       PRO  58  12.097  11.268  10.821
  457   2HD   PRO  58          1HD       PRO  58  10.984  11.522   9.460
  458    H    ALA  59           H        ALA  59  13.347   6.458   8.372
  459    HA   ALA  59           HA       ALA  59  13.380   5.269  11.028
  460   1HB   ALA  59          1HB       ALA  59  13.654   3.146   9.862
  461   2HB   ALA  59          2HB       ALA  59  13.834   4.001   8.329
  462   3HB   ALA  59          3HB       ALA  59  12.294   4.050   9.189
  463    H    GLN  60           H        GLN  60  15.152   4.691  12.104
  464    HA   GLN  60           HA       GLN  60  17.719   5.621  11.208
  465   1HB   GLN  60          2HB       GLN  60  18.519   4.817  13.377
  466   2HB   GLN  60          1HB       GLN  60  17.061   5.780  13.571
  467   1HG   GLN  60          2HG       GLN  60  15.741   3.729  13.775
  468   2HG   GLN  60          1HG       GLN  60  17.221   2.778  13.607
  469   1HE2  GLN  60          1HE2      GLN  60  15.362   4.841  15.680
  470   2HE2  GLN  60          2HE2      GLN  60  16.258   4.541  17.125
  471    HA   PRO  61           HA       PRO  61  19.472   2.016   9.330
  472   1HB   PRO  61          2HB       PRO  61  21.671   2.112  11.334
  473   2HB   PRO  61          1HB       PRO  61  21.755   2.105   9.569
  474   1HG   PRO  61          2HG       PRO  61  22.203   4.343  10.940
  475   2HG   PRO  61          1HG       PRO  61  21.311   4.374   9.407
  476   1HD   PRO  61          2HD       PRO  61  20.280   4.577  12.205
  477   2HD   PRO  61          1HD       PRO  61  19.737   5.416  10.737
  478    H    SER  62           H        SER  62  18.020   0.422   9.890
  479    HA   SER  62           HA       SER  62  18.670  -1.149  12.295
  480   1HB   SER  62          2HB       SER  62  15.902  -0.807  11.113
  481   2HB   SER  62          1HB       SER  62  16.323  -1.576  12.644
  482    HG   SER  62           HG       SER  62  16.827   1.156  12.051
  483    H    LEU  63           H        LEU  63  19.357  -1.310   9.329
  484    HA   LEU  63           HA       LEU  63  18.044  -3.788   8.543
  485   1HB   LEU  63          2HB       LEU  63  20.051  -2.074   7.075
  486   2HB   LEU  63          1HB       LEU  63  19.237  -3.476   6.409
  487    HG   LEU  63           HG       LEU  63  17.879  -0.921   7.281
  488   1HD1  LEU  63          1HD1      LEU  63  19.229  -0.614   5.275
  489   2HD1  LEU  63          2HD1      LEU  63  17.507  -0.561   4.895
  490   3HD1  LEU  63          3HD1      LEU  63  18.446  -2.007   4.527
  491   1HD2  LEU  63          1HD2      LEU  63  15.895  -1.884   6.213
  492   2HD2  LEU  63          2HD2      LEU  63  16.448  -2.874   7.564
  493   3HD2  LEU  63          3HD2      LEU  63  16.787  -3.376   5.908
  494    H    GLU  64           H        GLU  64  18.864  -5.585   9.388
  495    HA   GLU  64           HA       GLU  64  21.703  -5.787   9.958
  496   1HB   GLU  64          2HB       GLU  64  21.060  -8.031  10.887
  497   2HB   GLU  64          1HB       GLU  64  20.281  -6.663  11.659
  498   1HG   GLU  64          2HG       GLU  64  18.495  -8.033  11.475
  499   2HG   GLU  64          1HG       GLU  64  18.372  -7.224   9.917
  500    H    HIS  65           H        HIS  65  22.303  -8.400   9.453
  501    HA   HIS  65           HA       HIS  65  22.677  -8.353   6.603
  502   1HB   HIS  65          2HB       HIS  65  23.472 -10.346   8.727
  503   2HB   HIS  65          1HB       HIS  65  23.781 -10.618   7.016
  504    HD1  HIS  65           1HD      HIS  65  25.443  -8.869   5.851
  505    HD2  HIS  65           2HD      HIS  65  25.294  -8.757  10.009
  506    HE1  HIS  65           1HE      HIS  65  27.504  -7.624   6.572
  507    HE2  HIS  65           2HE      HIS  65  27.461  -7.673   9.089
  508    H    HIS  66           H        HIS  66  20.645  -8.469   5.751
  509    HA   HIS  66           HA       HIS  66  18.830 -10.543   6.621
  510   1HB   HIS  66          2HB       HIS  66  17.184  -9.432   5.163
  511   2HB   HIS  66          1HB       HIS  66  17.932  -8.305   6.287
  512    HD1  HIS  66           1HD      HIS  66  17.059  -8.656   2.827
  513    HD2  HIS  66           2HD      HIS  66  20.119  -6.778   4.925
  514    HE1  HIS  66           1HE      HIS  66  18.078  -7.014   1.217
  515    HE2  HIS  66           2HE      HIS  66  20.084  -6.091   2.437
  516    H    HIS  67           H        HIS  67  18.976 -12.499   5.809
  517    HA   HIS  67           HA       HIS  67  19.198 -12.712   2.876
  518   1HB   HIS  67          2HB       HIS  67  20.042 -14.943   3.074
  519   2HB   HIS  67          1HB       HIS  67  20.985 -13.949   4.173
  520    HD1  HIS  67           1HD      HIS  67  18.756 -16.907   4.058
  521    HD2  HIS  67           2HD      HIS  67  20.435 -14.417   6.943
  522    HE1  HIS  67           1HE      HIS  67  18.531 -18.140   6.238
  523    HE2  HIS  67           2HE      HIS  67  19.712 -16.696   7.933
  524    H    HIS  68           H        HIS  68  17.407 -13.345   5.736
  525    HA   HIS  68           HA       HIS  68  15.343 -14.124   6.199
  526   1HB   HIS  68          2HB       HIS  68  14.890 -12.087   4.771
  527   2HB   HIS  68          1HB       HIS  68  14.602 -13.192   3.430
  528    HD1  HIS  68           1HD      HIS  68  12.175 -13.581   3.100
  529    HD2  HIS  68           2HD      HIS  68  13.124 -13.015   7.113
  530    HE1  HIS  68           1HE      HIS  68  10.002 -13.786   4.351
  531    HE2  HIS  68           2HE      HIS  68  10.631 -13.615   6.789
  532    H    HIS  69           H        HIS  69  14.865 -14.733   2.787
  533    HA   HIS  69           HA       HIS  69  15.241 -17.563   2.972
  534   1HB   HIS  69          2HB       HIS  69  13.053 -17.274   4.134
  535   2HB   HIS  69          1HB       HIS  69  12.417 -16.491   2.693
  536    HD1  HIS  69           1HD      HIS  69  11.825 -18.011   0.668
  537    HD2  HIS  69           2HD      HIS  69  13.290 -20.059   3.988
  538    HE1  HIS  69           1HE      HIS  69  11.322 -20.440   0.250
  539    HE2  HIS  69           2HE      HIS  69  12.183 -21.661   2.283
  540    H    HIS  70           H        HIS  70  15.726 -18.280   0.968
  541    HA   HIS  70           HA       HIS  70  14.728 -16.744  -1.336
  542   1HB   HIS  70          2HB       HIS  70  17.523 -17.828  -0.931
  543   2HB   HIS  70          1HB       HIS  70  16.909 -17.268  -2.482
  544    HD1  HIS  70           1HD      HIS  70  18.875 -16.134   0.223
  545    HD2  HIS  70           2HD      HIS  70  15.918 -14.408  -2.141
  546    HE1  HIS  70           1HE      HIS  70  19.171 -13.647   0.472
  547    HE2  HIS  70           2HE      HIS  70  17.508 -12.635  -1.130
  Start of MODEL    5
    1   1H    MET   1          1H        MET   1 -10.164 -17.518   1.476
    2   2H    MET   1          2H        MET   1  -9.207 -18.823   1.992
    3   3H    MET   1          3H        MET   1  -9.239 -18.392   0.350
    4    HA   MET   1           HA       MET   1  -8.266 -16.611   2.497
    5   1HB   MET   1          2HB       MET   1  -5.999 -17.172   1.735
    6   2HB   MET   1          1HB       MET   1  -6.832 -18.585   2.368
    7   1HG   MET   1          2HG       MET   1  -7.301 -19.332   0.094
    8   2HG   MET   1          1HG       MET   1  -6.482 -17.908  -0.546
    9   1HE   MET   1          1HE       MET   1  -3.886 -17.457  -0.297
   10   2HE   MET   1          2HE       MET   1  -2.771 -18.541   0.533
   11   3HE   MET   1          3HE       MET   1  -3.976 -17.644   1.456
   12    H    GLU   2           H        GLU   2  -9.898 -16.599  -0.214
   13    HA   GLU   2           HA       GLU   2  -8.313 -14.464  -1.470
   14   1HB   GLU   2          2HB       GLU   2 -10.217 -16.147  -3.063
   15   2HB   GLU   2          1HB       GLU   2  -8.834 -15.218  -3.615
   16   1HG   GLU   2          2HG       GLU   2  -7.955 -17.279  -3.834
   17   2HG   GLU   2          1HG       GLU   2  -7.543 -17.014  -2.140
   18    H    SER   3           H        SER   3  -9.359 -12.620  -0.910
   19    HA   SER   3           HA       SER   3 -12.181 -12.390  -0.651
   20   1HB   SER   3          2HB       SER   3 -10.277 -10.125  -1.293
   21   2HB   SER   3          1HB       SER   3 -11.807 -10.043  -0.422
   22    HG   SER   3           HG       SER   3 -10.880 -11.040   1.319
   23    H    ARG   4           H        ARG   4 -10.190 -10.630  -2.993
   24    HA   ARG   4           HA       ARG   4 -11.520 -11.886  -5.236
   25   1HB   ARG   4          2HB       ARG   4 -11.633  -8.892  -4.772
   26   2HB   ARG   4          1HB       ARG   4 -11.922  -9.641  -6.337
   27   1HG   ARG   4          2HG       ARG   4 -13.756 -10.970  -5.185
   28   2HG   ARG   4          1HG       ARG   4 -13.559  -9.855  -3.833
   29   1HD   ARG   4          2HD       ARG   4 -14.286  -9.133  -6.666
   30   2HD   ARG   4          1HD       ARG   4 -15.368  -9.134  -5.277
   31    HE   ARG   4           HE       ARG   4 -13.218  -7.209  -5.824
   32   1HH1  ARG   4          1HH1      ARG   4 -15.817  -8.297  -3.745
   33   2HH1  ARG   4          2HH1      ARG   4 -16.106  -6.723  -3.055
   34   1HH2  ARG   4          1HH2      ARG   4 -13.560  -5.139  -4.907
   35   2HH2  ARG   4          2HH2      ARG   4 -14.775  -4.935  -3.681
   36    H    LEU   5           H        LEU   5 -10.243 -11.711  -7.155
   37    HA   LEU   5           HA       LEU   5  -7.445 -11.322  -6.474
   38   1HB   LEU   5          2HB       LEU   5  -8.739 -12.420  -8.968
   39   2HB   LEU   5          1HB       LEU   5  -7.013 -12.394  -8.657
   40    HG   LEU   5           HG       LEU   5  -9.058 -13.917  -7.039
   41   1HD1  LEU   5          1HD1      LEU   5  -8.023 -15.904  -8.009
   42   2HD1  LEU   5          2HD1      LEU   5  -6.996 -14.878  -9.012
   43   3HD1  LEU   5          3HD1      LEU   5  -8.744 -14.875  -9.246
   44   1HD2  LEU   5          1HD2      LEU   5  -7.107 -14.936  -5.958
   45   2HD2  LEU   5          2HD2      LEU   5  -7.185 -13.198  -5.668
   46   3HD2  LEU   5          3HD2      LEU   5  -6.049 -13.846  -6.852
   47    H    LEU   6           H        LEU   6  -6.523  -9.455  -6.750
   48    HA   LEU   6           HA       LEU   6  -7.489  -7.653  -8.858
   49   1HB   LEU   6          2HB       LEU   6  -7.725  -6.845  -6.528
   50   2HB   LEU   6          1HB       LEU   6  -5.998  -7.013  -6.307
   51    HG   LEU   6           HG       LEU   6  -6.889  -5.253  -8.522
   52   1HD1  LEU   6          1HD1      LEU   6  -7.234  -3.386  -6.967
   53   2HD1  LEU   6          2HD1      LEU   6  -7.118  -4.506  -5.609
   54   3HD1  LEU   6          3HD1      LEU   6  -8.448  -4.648  -6.759
   55   1HD2  LEU   6          1HD2      LEU   6  -4.514  -5.625  -8.019
   56   2HD2  LEU   6          2HD2      LEU   6  -4.771  -5.012  -6.384
   57   3HD2  LEU   6          3HD2      LEU   6  -4.980  -3.942  -7.771
   58    H    ASP   7           H        ASP   7  -6.009  -6.704 -10.254
   59    HA   ASP   7           HA       ASP   7  -3.487  -8.160 -10.476
   60   1HB   ASP   7          2HB       ASP   7  -4.998  -7.966 -12.453
   61   2HB   ASP   7          1HB       ASP   7  -4.755  -6.224 -12.428
   62    H    ILE   8           H        ILE   8  -4.277  -4.776 -11.284
   63    HA   ILE   8           HA       ILE   8  -2.482  -3.823  -9.205
   64    HB   ILE   8           HB       ILE   8  -1.489  -2.166 -10.920
   65   1HG1  ILE   8          2HG1      ILE   8  -1.135  -3.544 -13.144
   66   2HG1  ILE   8          1HG1      ILE   8  -2.674  -4.251 -12.691
   67   1HG2  ILE   8          1HG2      ILE   8  -0.127  -3.744  -9.738
   68   2HG2  ILE   8          2HG2      ILE   8   0.373  -3.696 -11.430
   69   3HG2  ILE   8          3HG2      ILE   8  -0.606  -5.038 -10.837
   70   1HD1  ILE   8          1HD1      ILE   8  -3.692  -2.032 -12.659
   71   2HD1  ILE   8          2HD1      ILE   8  -2.975  -2.398 -14.230
   72   3HD1  ILE   8          3HD1      ILE   8  -2.143  -1.319 -13.112
   73    H    LEU   9           H        LEU   9  -2.620  -1.470  -8.925
   74    HA   LEU   9           HA       LEU   9  -4.836  -0.124 -10.264
   75   1HB   LEU   9          2HB       LEU   9  -4.550  -0.423  -7.279
   76   2HB   LEU   9          1HB       LEU   9  -5.439   0.907  -7.990
   77    HG   LEU   9           HG       LEU   9  -6.105  -2.025  -8.286
   78   1HD1  LEU   9          1HD1      LEU   9  -7.492   0.200  -6.797
   79   2HD1  LEU   9          2HD1      LEU   9  -6.605  -1.140  -6.073
   80   3HD1  LEU   9          3HD1      LEU   9  -8.087  -1.451  -6.975
   81   1HD2  LEU   9          1HD2      LEU   9  -6.658  -0.741 -10.304
   82   2HD2  LEU   9          2HD2      LEU   9  -7.571   0.400  -9.315
   83   3HD2  LEU   9          3HD2      LEU   9  -8.103  -1.275  -9.445
   84    H    VAL  10           H        VAL  10  -4.650   2.190 -10.201
   85    HA   VAL  10           HA       VAL  10  -1.870   3.021  -9.703
   86    HB   VAL  10           HB       VAL  10  -2.184   4.754 -11.408
   87   1HG1  VAL  10          1HG1      VAL  10  -2.886   1.986 -12.371
   88   2HG1  VAL  10          2HG1      VAL  10  -1.262   2.599 -12.059
   89   3HG1  VAL  10          3HG1      VAL  10  -2.229   3.286 -13.365
   90   1HG2  VAL  10          1HG2      VAL  10  -4.615   5.058 -11.171
   91   2HG2  VAL  10          2HG2      VAL  10  -4.875   3.477 -11.911
   92   3HG2  VAL  10          3HG2      VAL  10  -4.144   4.779 -12.848
   93    H    CYS  11           H        CYS  11  -1.457   5.021  -8.769
   94    HA   CYS  11           HA       CYS  11  -3.174   5.896  -6.750
   95   1HB   CYS  11          2HB       CYS  11  -1.046   7.589  -8.070
   96   2HB   CYS  11          1HB       CYS  11  -1.602   7.658  -6.406
   97    HG   CYS  11           HG       CYS  11  -0.603   4.689  -6.536
   98    HA   PRO  12           HA       PRO  12  -6.240   8.298  -8.844
   99   1HB   PRO  12          2HB       PRO  12  -6.552  10.294  -6.931
  100   2HB   PRO  12          1HB       PRO  12  -7.381   8.736  -6.927
  101   1HG   PRO  12          2HG       PRO  12  -4.950   9.595  -5.427
  102   2HG   PRO  12          1HG       PRO  12  -6.286   8.555  -4.900
  103   1HD   PRO  12          2HD       PRO  12  -3.917   7.530  -5.600
  104   2HD   PRO  12          1HD       PRO  12  -5.434   6.695  -5.992
  105    H    VAL  13           H        VAL  13  -3.669  10.189  -7.255
  106    HA   VAL  13           HA       VAL  13  -3.957  12.302  -9.228
  107    HB   VAL  13           HB       VAL  13  -2.082  12.119  -6.862
  108   1HG1  VAL  13          1HG1      VAL  13  -1.736  14.507  -7.206
  109   2HG1  VAL  13          2HG1      VAL  13  -2.783  14.460  -8.625
  110   3HG1  VAL  13          3HG1      VAL  13  -1.251  13.586  -8.631
  111   1HG2  VAL  13          1HG2      VAL  13  -3.613  13.630  -5.750
  112   2HG2  VAL  13          2HG2      VAL  13  -4.469  12.169  -6.247
  113   3HG2  VAL  13          3HG2      VAL  13  -4.655  13.660  -7.171
  114    H    CYS  14           H        CYS  14  -1.136  10.556  -7.912
  115    HA   CYS  14           HA       CYS  14   0.577  11.379  -9.994
  116   1HB   CYS  14          2HB       CYS  14   0.954   9.056  -8.102
  117   2HB   CYS  14          1HB       CYS  14   2.217   9.919  -8.974
  118    HG   CYS  14           HG       CYS  14   1.068  10.501  -5.995
  119    H    LYS  15           H        LYS  15  -1.677   8.805  -9.848
  120    HA   LYS  15           HA       LYS  15  -2.135   6.990 -11.129
  121   1HB   LYS  15          2HB       LYS  15  -0.523   8.514 -13.184
  122   2HB   LYS  15          1HB       LYS  15  -1.606   7.174 -13.527
  123   1HG   LYS  15          2HG       LYS  15  -2.461   9.792 -12.312
  124   2HG   LYS  15          1HG       LYS  15  -2.578   9.389 -14.020
  125   1HD   LYS  15          2HD       LYS  15  -3.968   7.398 -13.329
  126   2HD   LYS  15          1HD       LYS  15  -4.018   8.104 -11.712
  127   1HE   LYS  15          2HE       LYS  15  -5.035   9.350 -14.264
  128   2HE   LYS  15          1HE       LYS  15  -6.012   8.707 -12.947
  129   1HZ   LYS  15          1HZ       LYS  15  -5.942  11.056 -12.734
  130   2HZ   LYS  15          2HZ       LYS  15  -4.253  11.099 -12.876
  131   3HZ   LYS  15          3HZ       LYS  15  -4.971  10.421 -11.498
  132    H    GLY  16           H        GLY  16   0.222   6.891  -9.456
  133   1HA   GLY  16          2HA       GLY  16   2.142   5.317 -10.995
  134   2HA   GLY  16          1HA       GLY  16   2.340   5.853  -9.333
  135    H    ARG  17           H        ARG  17   3.072   3.428  -9.489
  136    HA   ARG  17           HA       ARG  17   0.896   1.522  -9.454
  137   1HB   ARG  17          2HB       ARG  17   3.187   1.077 -10.454
  138   2HB   ARG  17          1HB       ARG  17   3.799   1.001  -8.808
  139   1HG   ARG  17          2HG       ARG  17   2.099  -0.820  -8.393
  140   2HG   ARG  17          1HG       ARG  17   1.829  -0.836 -10.138
  141   1HD   ARG  17          2HD       ARG  17   3.414  -2.524  -9.762
  142   2HD   ARG  17          1HD       ARG  17   4.350  -1.153 -10.358
  143    HE   ARG  17           HE       ARG  17   4.196  -2.008  -7.530
  144   1HH1  ARG  17          1HH1      ARG  17   5.868  -0.403 -10.165
  145   2HH1  ARG  17          2HH1      ARG  17   7.304  -0.084  -9.233
  146   1HH2  ARG  17          1HH2      ARG  17   6.078  -1.581  -6.304
  147   2HH2  ARG  17          2HH2      ARG  17   7.415  -0.739  -7.028
  148    H    LEU  18           H        LEU  18  -0.132   0.822  -7.697
  149    HA   LEU  18           HA       LEU  18   0.720   1.719  -5.069
  150   1HB   LEU  18          2HB       LEU  18  -1.703   0.158  -5.980
  151   2HB   LEU  18          1HB       LEU  18  -1.425   0.689  -4.331
  152    HG   LEU  18           HG       LEU  18  -1.721   2.542  -6.700
  153   1HD1  LEU  18          1HD1      LEU  18  -3.810   1.373  -6.230
  154   2HD1  LEU  18          2HD1      LEU  18  -3.915   3.074  -5.775
  155   3HD1  LEU  18          3HD1      LEU  18  -3.697   1.841  -4.533
  156   1HD2  LEU  18          1HD2      LEU  18  -1.616   3.077  -3.733
  157   2HD2  LEU  18          2HD2      LEU  18  -1.920   4.278  -4.988
  158   3HD2  LEU  18          3HD2      LEU  18  -0.357   3.466  -4.906
  159    H    GLU  19           H        GLU  19   0.835   0.198  -3.249
  160    HA   GLU  19           HA       GLU  19   1.834  -2.448  -4.095
  161   1HB   GLU  19          2HB       GLU  19   3.174  -0.398  -2.640
  162   2HB   GLU  19          1HB       GLU  19   2.893  -1.742  -1.540
  163   1HG   GLU  19          2HG       GLU  19   4.261  -1.911  -4.217
  164   2HG   GLU  19          1HG       GLU  19   5.058  -1.906  -2.645
  165    H    PHE  20           H        PHE  20   1.250  -4.220  -2.878
  166    HA   PHE  20           HA       PHE  20  -1.124  -3.737  -1.222
  167   1HB   PHE  20          2HB       PHE  20  -1.454  -5.148  -3.202
  168   2HB   PHE  20          1HB       PHE  20  -0.215  -6.259  -2.627
  169    HD1  PHE  20           1HD      PHE  20  -3.544  -4.853  -1.792
  170    HD2  PHE  20           2HD      PHE  20  -0.762  -8.017  -1.189
  171    HE1  PHE  20           1HE      PHE  20  -5.263  -6.126  -0.575
  172    HE2  PHE  20           2HE      PHE  20  -2.473  -9.295   0.033
  173    HZ   PHE  20           HZ       PHE  20  -4.727  -8.348   0.341
  174    H    GLN  21           H        GLN  21  -0.954  -3.913   0.891
  175    HA   GLN  21           HA       GLN  21   1.247  -5.273   2.163
  176   1HB   GLN  21          2HB       GLN  21  -1.223  -3.893   3.208
  177   2HB   GLN  21          1HB       GLN  21  -0.069  -4.692   4.264
  178   1HG   GLN  21          2HG       GLN  21   0.670  -2.487   2.362
  179   2HG   GLN  21          1HG       GLN  21   0.208  -2.220   4.042
  180   1HE2  GLN  21          1HE2      GLN  21   2.190  -1.356   4.580
  181   2HE2  GLN  21          2HE2      GLN  21   3.616  -2.333   4.719
  182    H    ARG  22           H        ARG  22   1.297  -7.372   2.656
  183    HA   ARG  22           HA       ARG  22  -0.959  -9.055   2.040
  184   1HB   ARG  22          2HB       ARG  22   1.758  -9.775   3.156
  185   2HB   ARG  22          1HB       ARG  22   0.585 -10.908   2.499
  186   1HG   ARG  22          2HG       ARG  22   0.799  -9.882   0.307
  187   2HG   ARG  22          1HG       ARG  22   1.947  -8.708   0.959
  188   1HD   ARG  22          2HD       ARG  22   3.375 -10.667   1.647
  189   2HD   ARG  22          1HD       ARG  22   2.286 -11.690   0.710
  190    HE   ARG  22           HE       ARG  22   2.924 -10.040  -1.188
  191   1HH1  ARG  22          1HH1      ARG  22   5.019 -11.268   1.331
  192   2HH1  ARG  22          2HH1      ARG  22   6.470 -11.062   0.397
  193   1HH2  ARG  22          1HH2      ARG  22   4.841  -9.785  -2.427
  194   2HH2  ARG  22          2HH2      ARG  22   6.372 -10.242  -1.736
  195    H    ALA  23           H        ALA  23  -1.378  -7.331   4.305
  196    HA   ALA  23           HA       ALA  23  -2.324  -9.276   6.189
  197   1HB   ALA  23          1HB       ALA  23  -1.136  -8.456   8.137
  198   2HB   ALA  23          2HB       ALA  23  -0.257  -7.292   7.146
  199   3HB   ALA  23          3HB       ALA  23   0.018  -9.021   6.929
  200    H    GLN  24           H        GLN  24  -1.563  -5.863   5.679
  201    HA   GLN  24           HA       GLN  24  -3.852  -4.926   7.129
  202   1HB   GLN  24          2HB       GLN  24  -1.751  -3.613   5.432
  203   2HB   GLN  24          1HB       GLN  24  -3.151  -2.713   5.996
  204   1HG   GLN  24          2HG       GLN  24  -1.204  -4.147   7.786
  205   2HG   GLN  24          1HG       GLN  24  -1.154  -2.424   7.413
  206   1HE2  GLN  24          1HE2      GLN  24  -2.905  -1.108   8.089
  207   2HE2  GLN  24          2HE2      GLN  24  -3.863  -1.564   9.458
  208    H    ALA  25           H        ALA  25  -3.172  -5.813   3.860
  209    HA   ALA  25           HA       ALA  25  -4.381  -5.848   1.947
  210   1HB   ALA  25          1HB       ALA  25  -6.751  -5.351   3.750
  211   2HB   ALA  25          2HB       ALA  25  -6.087  -6.932   3.336
  212   3HB   ALA  25          3HB       ALA  25  -6.808  -5.922   2.083
  213    H    GLU  26           H        GLU  26  -3.304  -3.328   3.094
  214    HA   GLU  26           HA       GLU  26  -5.044  -1.383   1.763
  215   1HB   GLU  26          2HB       GLU  26  -3.691   0.338   2.939
  216   2HB   GLU  26          1HB       GLU  26  -4.508  -0.764   4.038
  217   1HG   GLU  26          2HG       GLU  26  -2.397  -2.022   4.282
  218   2HG   GLU  26          1HG       GLU  26  -1.599  -0.819   3.271
  219    H    LEU  27           H        LEU  27  -4.195   0.048   0.228
  220    HA   LEU  27           HA       LEU  27  -1.861  -1.020  -1.197
  221   1HB   LEU  27          2HB       LEU  27  -3.959   0.936  -2.129
  222   2HB   LEU  27          1HB       LEU  27  -2.691   0.244  -3.118
  223    HG   LEU  27           HG       LEU  27  -4.909  -1.343  -1.822
  224   1HD1  LEU  27          1HD1      LEU  27  -5.781   0.128  -3.555
  225   2HD1  LEU  27          2HD1      LEU  27  -5.823  -1.558  -4.069
  226   3HD1  LEU  27          3HD1      LEU  27  -4.573  -0.480  -4.689
  227   1HD2  LEU  27          1HD2      LEU  27  -2.787  -2.118  -3.816
  228   2HD2  LEU  27          2HD2      LEU  27  -4.137  -3.138  -3.319
  229   3HD2  LEU  27          3HD2      LEU  27  -2.911  -2.663  -2.143
  230    H    VAL  28           H        VAL  28  -0.026  -0.081  -0.694
  231    HA   VAL  28           HA       VAL  28   0.072   2.501   0.571
  232    HB   VAL  28           HB       VAL  28   2.343   0.718  -0.317
  233   1HG1  VAL  28          1HG1      VAL  28   3.664   1.936   1.342
  234   2HG1  VAL  28          2HG1      VAL  28   2.284   2.988   1.665
  235   3HG1  VAL  28          3HG1      VAL  28   3.055   3.006   0.079
  236   1HG2  VAL  28          1HG2      VAL  28   0.886  -0.463   1.205
  237   2HG2  VAL  28          2HG2      VAL  28   0.927   0.891   2.335
  238   3HG2  VAL  28          3HG2      VAL  28   2.392  -0.040   2.019
  239    H    CYS  29           H        CYS  29   0.383   4.388  -0.347
  240    HA   CYS  29           HA       CYS  29   1.164   4.575  -3.158
  241   1HB   CYS  29          2HB       CYS  29   0.420   6.819  -1.268
  242   2HB   CYS  29          1HB       CYS  29   0.456   6.871  -3.026
  243    HG   CYS  29           HG       CYS  29  -2.172   6.904  -2.601
  244    H    ASN  30           H        ASN  30   3.338   4.161  -3.175
  245    HA   ASN  30           HA       ASN  30   5.145   4.887  -1.158
  246   1HB   ASN  30          2HB       ASN  30   5.584   4.116  -4.047
  247   2HB   ASN  30          1HB       ASN  30   6.905   4.372  -2.913
  248   1HD2  ASN  30          1HD2      ASN  30   6.029   1.965  -4.358
  249   2HD2  ASN  30          2HD2      ASN  30   5.753   0.771  -3.141
  250    H    ALA  31           H        ALA  31   4.018   6.667  -3.928
  251    HA   ALA  31           HA       ALA  31   6.179   8.612  -3.657
  252   1HB   ALA  31          1HB       ALA  31   5.384   9.566  -5.730
  253   2HB   ALA  31          2HB       ALA  31   3.966   8.517  -5.700
  254   3HB   ALA  31          3HB       ALA  31   5.574   7.822  -5.903
  255    H    ASP  32           H        ASP  32   3.077   8.154  -2.444
  256    HA   ASP  32           HA       ASP  32   2.614  11.058  -2.212
  257   1HB   ASP  32          2HB       ASP  32   0.665   8.758  -2.274
  258   2HB   ASP  32          1HB       ASP  32   0.206  10.384  -1.784
  259    H    ARG  33           H        ARG  33   3.527   8.357  -0.467
  260    HA   ARG  33           HA       ARG  33   3.802   7.901   1.742
  261   1HB   ARG  33          2HB       ARG  33   3.187  10.831   2.076
  262   2HB   ARG  33          1HB       ARG  33   3.781   9.777   3.353
  263   1HG   ARG  33          2HG       ARG  33   5.747   9.304   1.777
  264   2HG   ARG  33          1HG       ARG  33   5.196  10.729   0.892
  265   1HD   ARG  33          2HD       ARG  33   5.943  10.624   3.803
  266   2HD   ARG  33          1HD       ARG  33   6.937  11.291   2.509
  267    HE   ARG  33           HE       ARG  33   4.382  12.539   2.591
  268   1HH1  ARG  33          1HH1      ARG  33   7.489  12.479   4.212
  269   2HH1  ARG  33          2HH1      ARG  33   7.354  14.106   4.794
  270   1HH2  ARG  33          1HH2      ARG  33   4.199  14.688   3.383
  271   2HH2  ARG  33          2HH2      ARG  33   5.491  15.352   4.349
  272    H    LEU  34           H        LEU  34   1.251   7.549   0.480
  273    HA   LEU  34           HA       LEU  34  -0.509   7.712   2.833
  274   1HB   LEU  34          2HB       LEU  34  -1.276   8.040  -0.073
  275   2HB   LEU  34          1HB       LEU  34  -2.421   7.889   1.245
  276    HG   LEU  34           HG       LEU  34  -0.435  10.140   0.927
  277   1HD1  LEU  34          1HD1      LEU  34  -2.390  11.501   0.376
  278   2HD1  LEU  34          2HD1      LEU  34  -3.413  10.067   0.451
  279   3HD1  LEU  34          3HD1      LEU  34  -2.166  10.198  -0.790
  280   1HD2  LEU  34          1HD2      LEU  34  -0.974   9.689   3.260
  281   2HD2  LEU  34          2HD2      LEU  34  -2.697   9.748   2.887
  282   3HD2  LEU  34          3HD2      LEU  34  -1.710  11.201   2.730
  283    H    ALA  35           H        ALA  35  -2.475   6.135   2.350
  284    HA   ALA  35           HA       ALA  35  -1.783   3.768   0.854
  285   1HB   ALA  35          1HB       ALA  35  -1.894   2.237   2.748
  286   2HB   ALA  35          2HB       ALA  35  -2.064   3.600   3.855
  287   3HB   ALA  35          3HB       ALA  35  -0.567   3.382   2.948
  288    H    PHE  36           H        PHE  36  -3.576   2.787   0.143
  289    HA   PHE  36           HA       PHE  36  -6.155   3.821   1.101
  290   1HB   PHE  36          2HB       PHE  36  -5.432   2.315  -1.425
  291   2HB   PHE  36          1HB       PHE  36  -7.052   2.873  -1.016
  292    HD1  PHE  36           2HD      PHE  36  -6.696   5.538  -0.035
  293    HD2  PHE  36           1HD      PHE  36  -4.642   3.547  -3.182
  294    HE1  PHE  36           2HE      PHE  36  -6.197   7.710  -1.075
  295    HE2  PHE  36           1HE      PHE  36  -4.138   5.717  -4.229
  296    HZ   PHE  36           HZ       PHE  36  -4.921   7.798  -3.179
  297    HA   PRO  37           HA       PRO  37  -6.283  -0.218   3.078
  298   1HB   PRO  37          2HB       PRO  37  -8.331   0.824   4.807
  299   2HB   PRO  37          1HB       PRO  37  -6.645   0.479   5.194
  300   1HG   PRO  37          2HG       PRO  37  -7.722   3.005   5.119
  301   2HG   PRO  37          1HG       PRO  37  -6.002   2.647   4.881
  302   1HD   PRO  37          2HD       PRO  37  -8.127   3.186   2.837
  303   2HD   PRO  37          1HD       PRO  37  -6.438   3.742   2.881
  304    H    VAL  38           H        VAL  38  -7.379  -1.827   2.151
  305    HA   VAL  38           HA       VAL  38 -10.118  -1.470   1.265
  306    HB   VAL  38           HB       VAL  38  -8.372  -3.949   1.259
  307   1HG1  VAL  38          1HG1      VAL  38 -10.757  -4.500   1.263
  308   2HG1  VAL  38          2HG1      VAL  38 -10.021  -4.873  -0.295
  309   3HG1  VAL  38          3HG1      VAL  38 -11.010  -3.425  -0.113
  310   1HG2  VAL  38          1HG2      VAL  38  -9.072  -2.040  -0.968
  311   2HG2  VAL  38          2HG2      VAL  38  -8.131  -3.523  -1.139
  312   3HG2  VAL  38          3HG2      VAL  38  -7.500  -2.181  -0.183
  313    H    ARG  39           H        ARG  39 -11.817  -1.795   2.567
  314    HA   ARG  39           HA       ARG  39 -11.370  -2.867   5.229
  315   1HB   ARG  39          2HB       ARG  39 -12.733  -0.792   4.719
  316   2HB   ARG  39          1HB       ARG  39 -13.958  -1.852   4.039
  317   1HG   ARG  39          2HG       ARG  39 -14.220  -2.950   6.204
  318   2HG   ARG  39          1HG       ARG  39 -12.985  -1.893   6.889
  319   1HD   ARG  39          2HD       ARG  39 -14.366   0.052   6.432
  320   2HD   ARG  39          1HD       ARG  39 -15.588  -0.970   5.678
  321    HE   ARG  39           HE       ARG  39 -15.414  -2.040   8.138
  322   1HH1  ARG  39          1HH1      ARG  39 -15.738   1.281   7.066
  323   2HH1  ARG  39          2HH1      ARG  39 -16.646   1.785   8.458
  324   1HH2  ARG  39          1HH2      ARG  39 -16.615  -1.395   9.970
  325   2HH2  ARG  39          2HH2      ARG  39 -17.168   0.251  10.099
  326    H    ASP  40           H        ASP  40 -10.946  -4.804   3.426
  327    HA   ASP  40           HA       ASP  40 -11.463  -6.900   2.745
  328   1HB   ASP  40          2HB       ASP  40 -11.719  -7.145   5.226
  329   2HB   ASP  40          1HB       ASP  40 -13.450  -6.888   5.023
  330    H    GLY  41           H        GLY  41 -12.337  -6.380   0.764
  331   1HA   GLY  41          2HA       GLY  41 -14.139  -7.005  -0.694
  332   2HA   GLY  41          1HA       GLY  41 -15.262  -6.634   0.608
  333    H    VAL  42           H        VAL  42 -14.547  -4.159   1.406
  334    HA   VAL  42           HA       VAL  42 -15.151  -2.551  -0.972
  335    HB   VAL  42           HB       VAL  42 -15.380  -1.760   1.942
  336   1HG1  VAL  42          1HG1      VAL  42 -15.093   0.140   0.448
  337   2HG1  VAL  42          2HG1      VAL  42 -16.729   0.100   1.102
  338   3HG1  VAL  42          3HG1      VAL  42 -16.429  -0.427  -0.554
  339   1HG2  VAL  42          1HG2      VAL  42 -17.800  -2.032   1.635
  340   2HG2  VAL  42          2HG2      VAL  42 -16.928  -3.554   1.460
  341   3HG2  VAL  42          3HG2      VAL  42 -17.511  -2.700   0.030
  342    HA   PRO  43           HA       PRO  43 -10.874  -1.159  -0.466
  343   1HB   PRO  43          2HB       PRO  43 -11.053  -0.206  -3.177
  344   2HB   PRO  43          1HB       PRO  43 -10.125  -1.570  -2.557
  345   1HG   PRO  43          2HG       PRO  43 -12.279  -1.813  -4.236
  346   2HG   PRO  43          1HG       PRO  43 -11.743  -3.083  -3.121
  347   1HD   PRO  43          2HD       PRO  43 -13.975  -1.109  -2.826
  348   2HD   PRO  43          1HD       PRO  43 -13.921  -2.828  -2.372
  349    H    ILE  44           H        ILE  44 -10.512   0.749   0.508
  350    HA   ILE  44           HA       ILE  44 -12.150   3.053  -0.243
  351    HB   ILE  44           HB       ILE  44 -10.260   2.726   2.096
  352   1HG1  ILE  44          2HG1      ILE  44 -12.198   1.256   2.300
  353   2HG1  ILE  44          1HG1      ILE  44 -12.310   2.574   3.459
  354   1HG2  ILE  44          1HG2      ILE  44 -11.308   4.775   2.956
  355   2HG2  ILE  44          2HG2      ILE  44 -12.237   4.915   1.464
  356   3HG2  ILE  44          3HG2      ILE  44 -10.479   5.048   1.423
  357   1HD1  ILE  44          1HD1      ILE  44 -13.778   2.426   0.840
  358   2HD1  ILE  44          2HD1      ILE  44 -13.914   3.715   2.035
  359   3HD1  ILE  44          3HD1      ILE  44 -14.461   2.084   2.429
  360    H    MET  45           H        MET  45 -11.297   3.982  -2.003
  361    HA   MET  45           HA       MET  45  -8.410   4.513  -2.070
  362   1HB   MET  45          2HB       MET  45 -10.498   4.848  -4.240
  363   2HB   MET  45          1HB       MET  45  -8.773   5.130  -4.429
  364   1HG   MET  45          2HG       MET  45  -8.358   2.758  -3.907
  365   2HG   MET  45          1HG       MET  45 -10.099   2.499  -3.824
  366   1HE   MET  45          1HE       MET  45  -7.034   3.325  -6.094
  367   2HE   MET  45          2HE       MET  45  -8.028   4.763  -6.329
  368   3HE   MET  45          3HE       MET  45  -7.794   3.628  -7.657
  369    H    LEU  46           H        LEU  46 -10.942   5.891  -0.742
  370    HA   LEU  46           HA       LEU  46 -10.752   8.592  -1.668
  371   1HB   LEU  46          2HB       LEU  46 -11.903   7.476   0.894
  372   2HB   LEU  46          1HB       LEU  46 -12.122   9.115   0.316
  373    HG   LEU  46           HG       LEU  46 -13.142   6.631  -1.071
  374   1HD1  LEU  46          1HD1      LEU  46 -15.352   7.452  -0.388
  375   2HD1  LEU  46          2HD1      LEU  46 -14.578   8.748   0.524
  376   3HD1  LEU  46          3HD1      LEU  46 -14.334   7.069   1.002
  377   1HD2  LEU  46          1HD2      LEU  46 -13.555   9.557  -1.682
  378   2HD2  LEU  46          2HD2      LEU  46 -14.351   8.213  -2.499
  379   3HD2  LEU  46          3HD2      LEU  46 -12.605   8.421  -2.640
  380    H    GLU  47           H        GLU  47  -9.079   9.875  -1.286
  381    HA   GLU  47           HA       GLU  47  -6.973   9.194   0.461
  382   1HB   GLU  47          2HB       GLU  47  -7.640  11.831  -0.855
  383   2HB   GLU  47          1HB       GLU  47  -6.107  11.459  -0.076
  384   1HG   GLU  47          2HG       GLU  47  -5.692   9.689  -1.685
  385   2HG   GLU  47          1HG       GLU  47  -7.253   9.992  -2.443
  386    H    ALA  48           H        ALA  48  -9.937  10.808   1.001
  387    HA   ALA  48           HA       ALA  48  -9.215  12.294   3.317
  388   1HB   ALA  48          1HB       ALA  48 -11.592  12.519   3.699
  389   2HB   ALA  48          2HB       ALA  48 -11.931  11.229   2.547
  390   3HB   ALA  48          3HB       ALA  48 -11.245  12.755   1.986
  391    H    GLU  49           H        GLU  49 -10.128   8.976   2.739
  392    HA   GLU  49           HA       GLU  49 -10.181   8.449   5.637
  393   1HB   GLU  49          2HB       GLU  49 -11.107   6.625   3.408
  394   2HB   GLU  49          1HB       GLU  49 -11.356   6.398   5.132
  395   1HG   GLU  49          2HG       GLU  49 -12.573   8.549   3.417
  396   2HG   GLU  49          1HG       GLU  49 -13.395   7.129   4.058
  397    H    ALA  50           H        ALA  50  -7.958   8.650   3.423
  398    HA   ALA  50           HA       ALA  50  -6.831   6.025   3.326
  399   1HB   ALA  50          1HB       ALA  50  -6.551   7.621   1.489
  400   2HB   ALA  50          2HB       ALA  50  -5.000   7.062   2.115
  401   3HB   ALA  50          3HB       ALA  50  -5.599   8.665   2.545
  402    H    ARG  51           H        ARG  51  -4.812   5.391   4.159
  403    HA   ARG  51           HA       ARG  51  -4.292   6.463   6.817
  404   1HB   ARG  51          2HB       ARG  51  -4.554   4.026   6.508
  405   2HB   ARG  51          1HB       ARG  51  -3.191   4.027   5.397
  406   1HG   ARG  51          2HG       ARG  51  -1.748   4.816   7.248
  407   2HG   ARG  51          1HG       ARG  51  -3.125   4.651   8.340
  408   1HD   ARG  51          2HD       ARG  51  -3.275   2.263   7.732
  409   2HD   ARG  51          1HD       ARG  51  -1.844   2.454   6.722
  410    HE   ARG  51           HE       ARG  51  -1.470   3.236   9.475
  411   1HH1  ARG  51          1HH1      ARG  51  -1.325   0.613   7.155
  412   2HH1  ARG  51          2HH1      ARG  51  -0.231  -0.337   8.127
  413   1HH2  ARG  51          1HH2      ARG  51  -0.069   1.981  10.752
  414   2HH2  ARG  51          2HH2      ARG  51   0.477   0.435  10.162
  415    H    SER  52           H        SER  52  -2.815   8.031   7.004
  416    HA   SER  52           HA       SER  52  -0.870   8.456   4.926
  417   1HB   SER  52          2HB       SER  52  -1.728  10.434   5.775
  418   2HB   SER  52          1HB       SER  52  -1.579   9.911   7.445
  419    HG   SER  52           HG       SER  52   0.040  11.477   6.353
  420    H    LEU  53           H        LEU  53   1.282   8.320   5.065
  421    HA   LEU  53           HA       LEU  53   2.308   6.460   7.077
  422   1HB   LEU  53          2HB       LEU  53   3.637   7.592   4.610
  423   2HB   LEU  53          1HB       LEU  53   4.302   6.348   5.651
  424    HG   LEU  53           HG       LEU  53   1.813   6.086   3.962
  425   1HD1  LEU  53          1HD1      LEU  53   4.539   4.835   3.657
  426   2HD1  LEU  53          2HD1      LEU  53   3.871   6.117   2.647
  427   3HD1  LEU  53          3HD1      LEU  53   3.130   4.517   2.646
  428   1HD2  LEU  53          1HD2      LEU  53   1.806   3.756   4.628
  429   2HD2  LEU  53          2HD2      LEU  53   1.693   4.792   6.051
  430   3HD2  LEU  53          3HD2      LEU  53   3.224   4.017   5.644
  431    H    ASP  54           H        ASP  54   2.066   9.731   6.510
  432    HA   ASP  54           HA       ASP  54   4.488  10.488   7.938
  433   1HB   ASP  54          2HB       ASP  54   3.779  11.918   6.103
  434   2HB   ASP  54          1HB       ASP  54   2.185  12.112   6.824
  435    H    ALA  55           H        ALA  55   1.054  10.122   8.444
  436    HA   ALA  55           HA       ALA  55   1.189  11.197  11.147
  437   1HB   ALA  55          1HB       ALA  55  -1.224  10.782  11.207
  438   2HB   ALA  55          2HB       ALA  55  -1.128   9.998   9.630
  439   3HB   ALA  55          3HB       ALA  55  -0.765  11.718   9.785
  440    H    GLU  56           H        GLU  56   1.921   8.334   9.703
  441    HA   GLU  56           HA       GLU  56   1.063   6.673  11.954
  442   1HB   GLU  56          2HB       GLU  56   0.611   5.867   9.655
  443   2HB   GLU  56          1HB       GLU  56   2.336   5.880   9.326
  444   1HG   GLU  56          2HG       GLU  56   1.499   3.636   9.796
  445   2HG   GLU  56          1HG       GLU  56   2.702   4.155  10.974
  446    H    ALA  57           H        ALA  57   2.672   5.165  12.875
  447    HA   ALA  57           HA       ALA  57   5.119   6.537  13.496
  448   1HB   ALA  57          1HB       ALA  57   5.568   4.626  14.958
  449   2HB   ALA  57          2HB       ALA  57   4.183   3.774  14.272
  450   3HB   ALA  57          3HB       ALA  57   3.939   5.252  15.203
  451    HA   PRO  58           HA       PRO  58   7.195   4.777   9.935
  452   1HB   PRO  58          2HB       PRO  58   9.571   6.091  11.053
  453   2HB   PRO  58          1HB       PRO  58   8.759   6.370   9.510
  454   1HG   PRO  58          2HG       PRO  58   8.654   8.160  11.517
  455   2HG   PRO  58          1HG       PRO  58   7.296   7.907  10.404
  456   1HD   PRO  58          2HD       PRO  58   7.674   6.885  13.196
  457   2HD   PRO  58          1HD       PRO  58   6.215   7.546  12.427
  458    H    ALA  59           H        ALA  59   8.176   2.876   9.702
  459    HA   ALA  59           HA       ALA  59   8.987   1.333  11.924
  460   1HB   ALA  59          1HB       ALA  59   8.106   0.318   9.872
  461   2HB   ALA  59          2HB       ALA  59   9.693  -0.332  10.282
  462   3HB   ALA  59          3HB       ALA  59   9.536   0.858   8.992
  463    H    GLN  60           H        GLN  60  10.941   0.945  12.785
  464    HA   GLN  60           HA       GLN  60  13.048   2.779  12.335
  465   1HB   GLN  60          2HB       GLN  60  14.329   1.292  13.903
  466   2HB   GLN  60          1HB       GLN  60  12.792   1.868  14.531
  467   1HG   GLN  60          2HG       GLN  60  11.783  -0.308  13.903
  468   2HG   GLN  60          1HG       GLN  60  13.389  -0.870  13.438
  469   1HE2  GLN  60          1HE2      GLN  60  14.924  -1.272  15.014
  470   2HE2  GLN  60          2HE2      GLN  60  14.510  -1.418  16.690
  471    HA   PRO  61           HA       PRO  61  15.375   1.244   8.964
  472   1HB   PRO  61          2HB       PRO  61  17.712   1.299  10.825
  473   2HB   PRO  61          1HB       PRO  61  17.548   1.992   9.207
  474   1HG   PRO  61          2HG       PRO  61  17.416   3.549  11.352
  475   2HG   PRO  61          1HG       PRO  61  16.339   3.821   9.970
  476   1HD   PRO  61          2HD       PRO  61  15.744   2.617  12.629
  477   2HD   PRO  61          1HD       PRO  61  14.713   3.615  11.585
  478    H    SER  62           H        SER  62  15.464  -0.736   8.214
  479    HA   SER  62           HA       SER  62  15.194  -3.035   9.741
  480   1HB   SER  62          2HB       SER  62  16.350  -2.854   6.950
  481   2HB   SER  62          1HB       SER  62  15.542  -4.246   7.676
  482    HG   SER  62           HG       SER  62  13.635  -3.291   7.437
  483    H    LEU  63           H        LEU  63  16.547  -4.476  10.628
  484    HA   LEU  63           HA       LEU  63  19.193  -3.774  11.242
  485   1HB   LEU  63          2HB       LEU  63  17.753  -6.420  11.428
  486   2HB   LEU  63          1HB       LEU  63  19.382  -6.174  12.018
  487    HG   LEU  63           HG       LEU  63  17.966  -6.057  13.896
  488   1HD1  LEU  63          1HD1      LEU  63  18.622  -3.242  13.054
  489   2HD1  LEU  63          2HD1      LEU  63  19.708  -4.368  13.868
  490   3HD1  LEU  63          3HD1      LEU  63  18.270  -3.771  14.699
  491   1HD2  LEU  63          1HD2      LEU  63  16.042  -4.539  14.057
  492   2HD2  LEU  63          2HD2      LEU  63  15.829  -5.756  12.798
  493   3HD2  LEU  63          3HD2      LEU  63  16.260  -4.102  12.363
  494    H    GLU  64           H        GLU  64  20.974  -3.923  10.090
  495    HA   GLU  64           HA       GLU  64  22.576  -4.611   8.652
  496   1HB   GLU  64          2HB       GLU  64  21.826  -6.856   9.757
  497   2HB   GLU  64          1HB       GLU  64  21.113  -7.187   8.186
  498   1HG   GLU  64          2HG       GLU  64  23.999  -6.441   8.525
  499   2HG   GLU  64          1HG       GLU  64  23.430  -8.106   8.619
  500    H    HIS  65           H        HIS  65  22.290  -3.189   7.021
  501    HA   HIS  65           HA       HIS  65  20.059  -3.396   5.210
  502   1HB   HIS  65          2HB       HIS  65  22.364  -1.469   5.401
  503   2HB   HIS  65          1HB       HIS  65  21.166  -1.392   4.117
  504    HD1  HIS  65           1HD      HIS  65  21.599  -0.781   7.791
  505    HD2  HIS  65           2HD      HIS  65  18.671  -0.392   4.865
  506    HE1  HIS  65           1HE      HIS  65  19.809   0.668   8.809
  507    HE2  HIS  65           2HE      HIS  65  18.167   1.072   6.933
  508    H    HIS  66           H        HIS  66  20.739  -5.557   4.458
  509    HA   HIS  66           HA       HIS  66  22.954  -5.695   2.634
  510   1HB   HIS  66          2HB       HIS  66  21.762  -7.923   1.990
  511   2HB   HIS  66          1HB       HIS  66  22.536  -7.777   3.561
  512    HD1  HIS  66           1HD      HIS  66  21.142  -8.214   5.554
  513    HD2  HIS  66           2HD      HIS  66  18.847  -7.678   2.126
  514    HE1  HIS  66           1HE      HIS  66  18.776  -8.783   6.221
  515    HE2  HIS  66           2HE      HIS  66  17.380  -8.227   4.191
  516    H    HIS  67           H        HIS  67  22.942  -4.734   0.741
  517    HA   HIS  67           HA       HIS  67  20.468  -4.109  -0.634
  518   1HB   HIS  67          2HB       HIS  67  23.366  -3.560  -1.306
  519   2HB   HIS  67          1HB       HIS  67  22.034  -3.106  -2.360
  520    HD1  HIS  67           1HD      HIS  67  21.426  -0.728  -2.112
  521    HD2  HIS  67           2HD      HIS  67  22.826  -2.348   1.458
  522    HE1  HIS  67           1HE      HIS  67  21.412   1.164  -0.451
  523    HE2  HIS  67           2HE      HIS  67  22.394   0.195   1.660
  524    H    HIS  68           H        HIS  68  19.775  -4.984  -2.568
  525    HA   HIS  68           HA       HIS  68  20.852  -7.621  -3.170
  526   1HB   HIS  68          2HB       HIS  68  18.377  -7.159  -2.942
  527   2HB   HIS  68          1HB       HIS  68  18.477  -6.248  -4.445
  528    HD1  HIS  68           1HD      HIS  68  18.321  -9.682  -3.077
  529    HD2  HIS  68           2HD      HIS  68  18.940  -7.846  -6.760
  530    HE1  HIS  68           1HE      HIS  68  18.076 -11.503  -4.795
  531    HE2  HIS  68           2HE      HIS  68  18.265 -10.334  -7.020
  532    H    HIS  69           H        HIS  69  22.576  -7.662  -4.471
  533    HA   HIS  69           HA       HIS  69  22.450  -6.296  -7.053
  534   1HB   HIS  69          2HB       HIS  69  23.553  -4.708  -5.470
  535   2HB   HIS  69          1HB       HIS  69  24.788  -5.921  -5.164
  536    HD1  HIS  69           1HD      HIS  69  26.653  -6.164  -6.886
  537    HD2  HIS  69           2HD      HIS  69  23.700  -3.467  -8.016
  538    HE1  HIS  69           1HE      HIS  69  27.570  -4.957  -8.887
  539    HE2  HIS  69           2HE      HIS  69  25.890  -3.139  -9.356
  540    H    HIS  70           H        HIS  70  23.614  -7.366  -8.657
  541    HA   HIS  70           HA       HIS  70  24.856  -9.889  -7.820
  542   1HB   HIS  70          2HB       HIS  70  23.902  -8.942 -10.532
  543   2HB   HIS  70          1HB       HIS  70  24.748 -10.462 -10.270
  544    HD1  HIS  70           1HD      HIS  70  21.918 -10.453 -11.454
  545    HD2  HIS  70           2HD      HIS  70  22.752 -10.854  -7.395
  546    HE1  HIS  70           1HE      HIS  70  19.899 -11.565 -10.448
  547    HE2  HIS  70           2HE      HIS  70  20.516 -11.992  -8.040
  Start of MODEL    6
    1   1H    MET   1          1H        MET   1 -13.927 -12.760 -23.326
    2   2H    MET   1          2H        MET   1 -12.498 -11.867 -23.147
    3   3H    MET   1          3H        MET   1 -13.913 -11.093 -23.665
    4    HA   MET   1           HA       MET   1 -13.569 -10.538 -21.407
    5   1HB   MET   1          2HB       MET   1 -15.750 -12.573 -21.858
    6   2HB   MET   1          1HB       MET   1 -15.576 -11.719 -20.331
    7   1HG   MET   1          2HG       MET   1 -17.234 -10.614 -21.632
    8   2HG   MET   1          1HG       MET   1 -15.811  -9.580 -21.548
    9   1HE   MET   1          1HE       MET   1 -17.241  -8.741 -25.084
   10   2HE   MET   1          2HE       MET   1 -16.708  -8.094 -23.532
   11   3HE   MET   1          3HE       MET   1 -18.158  -9.092 -23.619
   12    H    GLU   2           H        GLU   2 -11.643 -11.201 -20.550
   13    HA   GLU   2           HA       GLU   2 -11.456 -13.904 -19.479
   14   1HB   GLU   2          2HB       GLU   2  -9.434 -11.653 -19.599
   15   2HB   GLU   2          1HB       GLU   2  -9.114 -13.241 -18.921
   16   1HG   GLU   2          2HG       GLU   2  -8.187 -13.232 -21.085
   17   2HG   GLU   2          1HG       GLU   2  -9.652 -14.203 -21.175
   18    H    SER   3           H        SER   3 -12.611 -14.071 -17.667
   19    HA   SER   3           HA       SER   3 -13.527 -13.665 -15.635
   20   1HB   SER   3          2HB       SER   3 -11.228 -11.733 -15.230
   21   2HB   SER   3          1HB       SER   3 -12.227 -12.457 -13.971
   22    HG   SER   3           HG       SER   3 -11.101 -14.307 -15.637
   23    H    ARG   4           H        ARG   4 -14.026 -11.433 -14.149
   24    HA   ARG   4           HA       ARG   4 -15.650  -9.846 -15.926
   25   1HB   ARG   4          2HB       ARG   4 -16.429 -10.440 -13.657
   26   2HB   ARG   4          1HB       ARG   4 -15.111  -9.502 -12.967
   27   1HG   ARG   4          2HG       ARG   4 -17.225  -8.289 -12.895
   28   2HG   ARG   4          1HG       ARG   4 -16.038  -7.463 -13.906
   29   1HD   ARG   4          2HD       ARG   4 -18.244  -7.453 -14.952
   30   2HD   ARG   4          1HD       ARG   4 -17.094  -8.388 -15.908
   31    HE   ARG   4           HE       ARG   4 -18.363 -10.191 -14.229
   32   1HH1  ARG   4          1HH1      ARG   4 -19.322  -7.974 -16.772
   33   2HH1  ARG   4          2HH1      ARG   4 -20.658  -8.956 -17.285
   34   1HH2  ARG   4          1HH2      ARG   4 -20.097 -11.475 -14.909
   35   2HH2  ARG   4          2HH2      ARG   4 -21.094 -10.953 -16.237
   36    H    LEU   5           H        LEU   5 -13.321  -8.796 -13.451
   37    HA   LEU   5           HA       LEU   5 -12.069  -7.000 -15.386
   38   1HB   LEU   5          2HB       LEU   5 -13.191  -6.119 -12.717
   39   2HB   LEU   5          1HB       LEU   5 -12.112  -5.152 -13.703
   40    HG   LEU   5           HG       LEU   5 -14.862  -6.063 -14.566
   41   1HD1  LEU   5          1HD1      LEU   5 -15.518  -3.729 -14.232
   42   2HD1  LEU   5          2HD1      LEU   5 -13.920  -3.372 -13.575
   43   3HD1  LEU   5          3HD1      LEU   5 -14.999  -4.476 -12.720
   44   1HD2  LEU   5          1HD2      LEU   5 -12.942  -4.096 -15.808
   45   2HD2  LEU   5          2HD2      LEU   5 -14.562  -4.473 -16.389
   46   3HD2  LEU   5          3HD2      LEU   5 -13.305  -5.707 -16.422
   47    H    LEU   6           H        LEU   6  -9.974  -7.496 -15.311
   48    HA   LEU   6           HA       LEU   6  -8.856  -8.652 -12.883
   49   1HB   LEU   6          2HB       LEU   6  -7.741  -8.328 -15.664
   50   2HB   LEU   6          1HB       LEU   6  -6.834  -9.016 -14.329
   51    HG   LEU   6           HG       LEU   6  -9.382 -10.147 -15.499
   52   1HD1  LEU   6          1HD1      LEU   6  -6.525 -11.106 -15.626
   53   2HD1  LEU   6          2HD1      LEU   6  -7.472 -10.456 -16.965
   54   3HD1  LEU   6          3HD1      LEU   6  -7.931 -11.989 -16.222
   55   1HD2  LEU   6          1HD2      LEU   6  -8.983 -12.041 -14.011
   56   2HD2  LEU   6          2HD2      LEU   6  -9.226 -10.551 -13.099
   57   3HD2  LEU   6          3HD2      LEU   6  -7.601 -11.202 -13.306
   58    H    ASP   7           H        ASP   7  -9.550  -5.758 -13.270
   59    HA   ASP   7           HA       ASP   7  -7.271  -4.765 -11.814
   60   1HB   ASP   7          2HB       ASP   7  -6.837  -4.369 -14.337
   61   2HB   ASP   7          1HB       ASP   7  -8.123  -3.172 -14.229
   62    H    ILE   8           H        ILE   8  -8.432  -4.180 -10.081
   63    HA   ILE   8           HA       ILE   8 -10.968  -2.758 -10.536
   64    HB   ILE   8           HB       ILE   8 -11.633  -3.599  -8.252
   65   1HG1  ILE   8          2HG1      ILE   8  -9.287  -5.467  -8.684
   66   2HG1  ILE   8          1HG1      ILE   8  -9.364  -4.200  -7.465
   67   1HG2  ILE   8          1HG2      ILE   8 -12.547  -4.557 -10.267
   68   2HG2  ILE   8          2HG2      ILE   8 -12.252  -5.837  -9.088
   69   3HG2  ILE   8          3HG2      ILE   8 -11.144  -5.610 -10.444
   70   1HD1  ILE   8          1HD1      ILE   8 -11.144  -6.621  -7.614
   71   2HD1  ILE   8          2HD1      ILE   8 -11.241  -5.350  -6.398
   72   3HD1  ILE   8          3HD1      ILE   8  -9.808  -6.371  -6.492
   73    H    LEU   9           H        LEU   9  -8.306  -2.988  -8.145
   74    HA   LEU   9           HA       LEU   9  -9.118  -0.356  -7.156
   75   1HB   LEU   9          2HB       LEU   9  -7.948  -2.722  -5.941
   76   2HB   LEU   9          1HB       LEU   9  -7.078  -1.260  -5.517
   77    HG   LEU   9           HG       LEU   9  -8.756  -1.771  -3.840
   78   1HD1  LEU   9          1HD1      LEU   9  -9.514   0.627  -5.501
   79   2HD1  LEU   9          2HD1      LEU   9  -8.259   0.570  -4.263
   80   3HD1  LEU   9          3HD1      LEU   9  -9.951   0.358  -3.813
   81   1HD2  LEU   9          1HD2      LEU   9 -11.141  -1.715  -4.365
   82   2HD2  LEU   9          2HD2      LEU   9 -10.320  -3.020  -5.225
   83   3HD2  LEU   9          3HD2      LEU   9 -10.761  -1.539  -6.079
   84    H    VAL  10           H        VAL  10  -8.142   1.300  -8.038
   85    HA   VAL  10           HA       VAL  10  -5.242   1.141  -8.479
   86    HB   VAL  10           HB       VAL  10  -5.503   2.746 -10.360
   87   1HG1  VAL  10          1HG1      VAL  10  -6.358   1.131 -12.003
   88   2HG1  VAL  10          2HG1      VAL  10  -7.008   0.151 -10.689
   89   3HG1  VAL  10          3HG1      VAL  10  -5.266   0.378 -10.842
   90   1HG2  VAL  10          1HG2      VAL  10  -7.649   3.718  -9.716
   91   2HG2  VAL  10          2HG2      VAL  10  -8.453   2.187 -10.049
   92   3HG2  VAL  10          3HG2      VAL  10  -7.711   3.096 -11.365
   93    H    CYS  11           H        CYS  11  -4.059   2.991  -7.959
   94    HA   CYS  11           HA       CYS  11  -4.918   4.615  -5.878
   95   1HB   CYS  11          2HB       CYS  11  -2.568   4.377  -6.328
   96   2HB   CYS  11          1HB       CYS  11  -2.753   5.036  -7.945
   97    HG   CYS  11           HG       CYS  11  -1.419   6.749  -5.967
   98    HA   PRO  12           HA       PRO  12  -7.851   7.244  -7.962
   99   1HB   PRO  12          2HB       PRO  12  -7.786   9.248  -6.038
  100   2HB   PRO  12          1HB       PRO  12  -8.825   7.821  -5.987
  101   1HG   PRO  12          2HG       PRO  12  -6.215   8.323  -4.618
  102   2HG   PRO  12          1HG       PRO  12  -7.658   7.490  -4.012
  103   1HD   PRO  12          2HD       PRO  12  -5.504   6.132  -4.828
  104   2HD   PRO  12          1HD       PRO  12  -7.147   5.526  -5.139
  105    H    VAL  13           H        VAL  13  -4.769   8.410  -6.723
  106    HA   VAL  13           HA       VAL  13  -4.926  10.865  -8.251
  107    HB   VAL  13           HB       VAL  13  -2.622   9.809  -6.606
  108   1HG1  VAL  13          1HG1      VAL  13  -3.231  12.583  -7.635
  109   2HG1  VAL  13          2HG1      VAL  13  -1.937  11.525  -8.198
  110   3HG1  VAL  13          3HG1      VAL  13  -1.901  12.166  -6.554
  111   1HG2  VAL  13          1HG2      VAL  13  -3.444  11.322  -4.842
  112   2HG2  VAL  13          2HG2      VAL  13  -4.607  10.051  -5.222
  113   3HG2  VAL  13          3HG2      VAL  13  -4.855  11.684  -5.834
  114    H    CYS  14           H        CYS  14  -2.502   8.243  -8.063
  115    HA   CYS  14           HA       CYS  14  -1.373   9.163 -10.572
  116   1HB   CYS  14          2HB       CYS  14  -0.440   6.947  -8.746
  117   2HB   CYS  14          1HB       CYS  14   0.482   7.692 -10.050
  118    HG   CYS  14           HG       CYS  14   0.480   8.504  -6.936
  119    H    LYS  15           H        LYS  15  -3.656   6.860  -9.658
  120    HA   LYS  15           HA       LYS  15  -4.584   5.025 -10.610
  121   1HB   LYS  15          2HB       LYS  15  -3.420   6.245 -13.119
  122   2HB   LYS  15          1HB       LYS  15  -4.643   4.983 -13.079
  123   1HG   LYS  15          2HG       LYS  15  -4.981   7.751 -11.939
  124   2HG   LYS  15          1HG       LYS  15  -5.576   7.213 -13.504
  125   1HD   LYS  15          2HD       LYS  15  -6.848   5.415 -12.261
  126   2HD   LYS  15          1HD       LYS  15  -6.421   6.270 -10.779
  127   1HE   LYS  15          2HE       LYS  15  -8.009   7.372 -13.097
  128   2HE   LYS  15          1HE       LYS  15  -8.640   6.918 -11.516
  129   1HZ   LYS  15          1HZ       LYS  15  -8.376   9.275 -11.595
  130   2HZ   LYS  15          2HZ       LYS  15  -6.766   9.146 -12.115
  131   3HZ   LYS  15          3HZ       LYS  15  -7.196   8.658 -10.549
  132    H    GLY  16           H        GLY  16  -1.831   4.790  -9.621
  133   1HA   GLY  16          2HA       GLY  16  -0.470   3.037 -11.484
  134   2HA   GLY  16          1HA       GLY  16   0.109   3.540  -9.908
  135    H    ARG  17           H        ARG  17  -3.038   2.435  -9.794
  136    HA   ARG  17           HA       ARG  17  -4.098   0.575  -9.064
  137   1HB   ARG  17          2HB       ARG  17  -2.932  -0.589 -10.895
  138   2HB   ARG  17          1HB       ARG  17  -1.571  -0.897  -9.829
  139   1HG   ARG  17          2HG       ARG  17  -2.953  -2.299  -8.420
  140   2HG   ARG  17          1HG       ARG  17  -4.369  -1.927  -9.405
  141   1HD   ARG  17          2HD       ARG  17  -1.882  -3.341 -10.358
  142   2HD   ARG  17          1HD       ARG  17  -3.419  -4.113  -9.965
  143    HE   ARG  17           HE       ARG  17  -4.377  -2.705 -11.810
  144   1HH1  ARG  17          1HH1      ARG  17  -0.993  -3.631 -11.763
  145   2HH1  ARG  17          2HH1      ARG  17  -0.801  -3.510 -13.487
  146   1HH2  ARG  17          1HH2      ARG  17  -4.138  -2.554 -14.073
  147   2HH2  ARG  17          2HH2      ARG  17  -2.604  -2.939 -14.814
  148    H    LEU  18           H        LEU  18  -4.258  -0.821  -7.232
  149    HA   LEU  18           HA       LEU  18  -2.259  -0.236  -5.145
  150   1HB   LEU  18          2HB       LEU  18  -5.215  -0.768  -4.805
  151   2HB   LEU  18          1HB       LEU  18  -4.079  -0.428  -3.516
  152    HG   LEU  18           HG       LEU  18  -4.850   1.501  -5.705
  153   1HD1  LEU  18          1HD1      LEU  18  -6.007   2.711  -3.922
  154   2HD1  LEU  18          2HD1      LEU  18  -5.615   1.416  -2.790
  155   3HD1  LEU  18          3HD1      LEU  18  -6.681   1.099  -4.160
  156   1HD2  LEU  18          1HD2      LEU  18  -3.140   1.888  -3.250
  157   2HD2  LEU  18          2HD2      LEU  18  -3.630   3.149  -4.377
  158   3HD2  LEU  18          3HD2      LEU  18  -2.569   1.851  -4.917
  159    H    GLU  19           H        GLU  19  -1.306  -1.950  -4.198
  160    HA   GLU  19           HA       GLU  19  -2.134  -4.593  -5.149
  161   1HB   GLU  19          2HB       GLU  19   0.478  -3.590  -4.019
  162   2HB   GLU  19          1HB       GLU  19   0.165  -5.277  -4.395
  163   1HG   GLU  19          2HG       GLU  19   0.026  -3.038  -6.402
  164   2HG   GLU  19          1HG       GLU  19   1.437  -4.063  -6.144
  165    H    PHE  20           H        PHE  20  -2.807  -6.151  -3.797
  166    HA   PHE  20           HA       PHE  20  -3.507  -5.387  -1.121
  167   1HB   PHE  20          2HB       PHE  20  -5.073  -6.693  -2.441
  168   2HB   PHE  20          1HB       PHE  20  -3.891  -7.985  -2.617
  169    HD1  PHE  20           1HD      PHE  20  -5.901  -6.149  -0.089
  170    HD2  PHE  20           2HD      PHE  20  -3.787  -9.715  -1.062
  171    HE1  PHE  20           1HE      PHE  20  -6.774  -7.216   1.947
  172    HE2  PHE  20           2HE      PHE  20  -4.653 -10.787   0.977
  173    HZ   PHE  20           HZ       PHE  20  -6.150  -9.536   2.483
  174    H    GLN  21           H        GLN  21  -2.064  -5.442   0.464
  175    HA   GLN  21           HA       GLN  21   0.002  -7.497   0.472
  176   1HB   GLN  21          2HB       GLN  21  -0.424  -5.073   2.229
  177   2HB   GLN  21          1HB       GLN  21   0.927  -6.186   2.368
  178   1HG   GLN  21          2HG       GLN  21   0.311  -4.611  -0.115
  179   2HG   GLN  21          1HG       GLN  21   1.415  -4.066   1.146
  180   1HE2  GLN  21          1HE2      GLN  21   3.142  -4.029  -0.282
  181   2HE2  GLN  21          2HE2      GLN  21   3.908  -5.471  -0.851
  182    H    ARG  22           H        ARG  22   0.367  -8.793   2.351
  183    HA   ARG  22           HA       ARG  22  -2.173  -9.587   3.567
  184   1HB   ARG  22          2HB       ARG  22   0.509 -10.979   3.435
  185   2HB   ARG  22          1HB       ARG  22  -0.909 -11.636   4.247
  186   1HG   ARG  22          2HG       ARG  22  -2.132 -11.624   2.137
  187   2HG   ARG  22          1HG       ARG  22  -0.721 -10.954   1.321
  188   1HD   ARG  22          2HD       ARG  22  -0.810 -13.619   2.729
  189   2HD   ARG  22          1HD       ARG  22  -0.977 -13.388   0.991
  190    HE   ARG  22           HE       ARG  22   1.467 -12.989   2.579
  191   1HH1  ARG  22          1HH1      ARG  22  -0.130 -13.077  -0.546
  192   2HH1  ARG  22          2HH1      ARG  22   1.346 -13.304  -1.432
  193   1HH2  ARG  22          1HH2      ARG  22   3.425 -13.265   1.391
  194   2HH2  ARG  22          2HH2      ARG  22   3.350 -13.420  -0.345
  195    H    ALA  23           H        ALA  23  -0.293  -7.305   4.334
  196    HA   ALA  23           HA       ALA  23  -0.177  -7.909   7.205
  197   1HB   ALA  23          1HB       ALA  23   1.577  -6.226   7.391
  198   2HB   ALA  23          2HB       ALA  23   1.468  -5.898   5.661
  199   3HB   ALA  23          3HB       ALA  23   2.038  -7.469   6.226
  200    H    GLN  24           H        GLN  24  -1.916  -7.115   8.086
  201    HA   GLN  24           HA       GLN  24  -3.461  -5.647   8.880
  202   1HB   GLN  24          2HB       GLN  24  -1.724  -3.656   7.429
  203   2HB   GLN  24          1HB       GLN  24  -3.204  -3.181   8.246
  204   1HG   GLN  24          2HG       GLN  24  -0.857  -4.527   9.568
  205   2HG   GLN  24          1HG       GLN  24  -1.189  -2.795   9.596
  206   1HE2  GLN  24          1HE2      GLN  24  -2.072  -5.894  10.825
  207   2HE2  GLN  24          2HE2      GLN  24  -3.163  -5.340  12.045
  208    H    ALA  25           H        ALA  25  -3.182  -6.629   5.827
  209    HA   ALA  25           HA       ALA  25  -4.538  -6.755   4.009
  210   1HB   ALA  25          1HB       ALA  25  -6.935  -6.524   4.348
  211   2HB   ALA  25          2HB       ALA  25  -6.659  -5.730   5.898
  212   3HB   ALA  25          3HB       ALA  25  -6.210  -7.423   5.682
  213    H    GLU  26           H        GLU  26  -2.990  -4.403   4.374
  214    HA   GLU  26           HA       GLU  26  -4.722  -2.258   3.406
  215   1HB   GLU  26          2HB       GLU  26  -2.809  -0.775   3.855
  216   2HB   GLU  26          1HB       GLU  26  -3.272  -1.689   5.283
  217   1HG   GLU  26          2HG       GLU  26  -1.423  -3.316   4.634
  218   2HG   GLU  26          1HG       GLU  26  -0.879  -2.066   3.518
  219    H    LEU  27           H        LEU  27  -4.549  -1.383   1.414
  220    HA   LEU  27           HA       LEU  27  -3.073  -2.896  -0.574
  221   1HB   LEU  27          2HB       LEU  27  -4.808  -0.458  -0.951
  222   2HB   LEU  27          1HB       LEU  27  -4.273  -1.565  -2.193
  223    HG   LEU  27           HG       LEU  27  -6.146  -2.307   0.051
  224   1HD1  LEU  27          1HD1      LEU  27  -7.171  -0.698  -1.470
  225   2HD1  LEU  27          2HD1      LEU  27  -7.889  -2.299  -1.654
  226   3HD1  LEU  27          3HD1      LEU  27  -6.729  -1.710  -2.846
  227   1HD2  LEU  27          1HD2      LEU  27  -4.853  -4.193  -0.790
  228   2HD2  LEU  27          2HD2      LEU  27  -5.328  -3.794  -2.441
  229   3HD2  LEU  27          3HD2      LEU  27  -6.545  -4.321  -1.277
  230    H    VAL  28           H        VAL  28  -0.988  -2.414  -0.823
  231    HA   VAL  28           HA       VAL  28  -0.094   0.316  -0.280
  232    HB   VAL  28           HB       VAL  28   1.529  -2.204  -0.691
  233   1HG1  VAL  28          1HG1      VAL  28   2.774  -0.241  -1.403
  234   2HG1  VAL  28          2HG1      VAL  28   3.428  -0.864   0.112
  235   3HG1  VAL  28          3HG1      VAL  28   2.401   0.571   0.118
  236   1HG2  VAL  28          1HG2      VAL  28   1.968  -2.047   1.709
  237   2HG2  VAL  28          2HG2      VAL  28   0.239  -2.206   1.387
  238   3HG2  VAL  28          3HG2      VAL  28   0.917  -0.633   1.815
  239    H    CYS  29           H        CYS  29   0.194   1.680  -1.880
  240    HA   CYS  29           HA       CYS  29   0.587   0.722  -4.610
  241   1HB   CYS  29          2HB       CYS  29  -0.977   2.586  -4.247
  242   2HB   CYS  29          1HB       CYS  29   0.304   3.527  -3.497
  243    HG   CYS  29           HG       CYS  29   0.279   4.776  -5.828
  244    H    ASN  30           H        ASN  30   2.598   0.267  -5.217
  245    HA   ASN  30           HA       ASN  30   4.847   0.947  -3.647
  246   1HB   ASN  30          2HB       ASN  30   4.739  -0.133  -6.472
  247   2HB   ASN  30          1HB       ASN  30   6.185  -0.068  -5.472
  248   1HD2  ASN  30          1HD2      ASN  30   3.267  -1.730  -6.166
  249   2HD2  ASN  30          2HD2      ASN  30   3.481  -3.032  -5.048
  250    H    ALA  31           H        ALA  31   3.248   2.584  -6.196
  251    HA   ALA  31           HA       ALA  31   5.516   4.190  -6.968
  252   1HB   ALA  31          1HB       ALA  31   3.925   5.361  -8.406
  253   2HB   ALA  31          2HB       ALA  31   2.597   4.467  -7.668
  254   3HB   ALA  31          3HB       ALA  31   3.814   3.613  -8.618
  255    H    ASP  32           H        ASP  32   2.755   4.470  -4.823
  256    HA   ASP  32           HA       ASP  32   3.359   7.297  -4.345
  257   1HB   ASP  32          2HB       ASP  32   0.964   5.606  -3.658
  258   2HB   ASP  32          1HB       ASP  32   1.193   7.227  -3.013
  259    H    ARG  33           H        ARG  33   3.858   4.249  -2.969
  260    HA   ARG  33           HA       ARG  33   4.764   3.534  -1.007
  261   1HB   ARG  33          2HB       ARG  33   5.329   6.433  -0.404
  262   2HB   ARG  33          1HB       ARG  33   6.104   5.025   0.316
  263   1HG   ARG  33          2HG       ARG  33   6.940   4.428  -1.961
  264   2HG   ARG  33          1HG       ARG  33   6.328   5.987  -2.519
  265   1HD   ARG  33          2HD       ARG  33   7.719   7.023  -0.683
  266   2HD   ARG  33          1HD       ARG  33   8.479   5.439  -0.512
  267    HE   ARG  33           HE       ARG  33   8.459   6.420  -3.219
  268   1HH1  ARG  33          1HH1      ARG  33  10.223   6.437  -0.186
  269   2HH1  ARG  33          2HH1      ARG  33  11.727   6.868  -0.928
  270   1HH2  ARG  33          1HH2      ARG  33  10.424   6.985  -4.192
  271   2HH2  ARG  33          2HH2      ARG  33  11.851   7.185  -3.218
  272    H    LEU  34           H        LEU  34   1.980   4.324  -1.280
  273    HA   LEU  34           HA       LEU  34   1.311   5.011   1.506
  274   1HB   LEU  34          2HB       LEU  34  -0.202   5.490  -1.058
  275   2HB   LEU  34          1HB       LEU  34  -0.944   5.637   0.523
  276    HG   LEU  34           HG       LEU  34   1.443   7.250  -0.354
  277   1HD1  LEU  34          1HD1      LEU  34  -1.472   8.025  -0.304
  278   2HD1  LEU  34          2HD1      LEU  34  -0.497   7.769  -1.752
  279   3HD1  LEU  34          3HD1      LEU  34  -0.122   9.101  -0.658
  280   1HD2  LEU  34          1HD2      LEU  34   0.881   8.638   1.567
  281   2HD2  LEU  34          2HD2      LEU  34   1.195   6.975   2.063
  282   3HD2  LEU  34          3HD2      LEU  34  -0.463   7.565   1.959
  283    H    ALA  35           H        ALA  35  -0.335   3.872   2.523
  284    HA   ALA  35           HA       ALA  35  -1.072   1.325   1.232
  285   1HB   ALA  35          1HB       ALA  35   0.661   0.980   2.927
  286   2HB   ALA  35          2HB       ALA  35  -0.863   0.220   3.390
  287   3HB   ALA  35          3HB       ALA  35  -0.374   1.741   4.136
  288    H    PHE  36           H        PHE  36  -3.169   1.247   0.902
  289    HA   PHE  36           HA       PHE  36  -4.985   2.764   2.643
  290   1HB   PHE  36          2HB       PHE  36  -5.445   1.522  -0.075
  291   2HB   PHE  36          1HB       PHE  36  -6.633   2.454   0.823
  292    HD1  PHE  36           2HD      PHE  36  -6.197   4.890   1.256
  293    HD2  PHE  36           1HD      PHE  36  -3.806   2.566  -1.388
  294    HE1  PHE  36           2HE      PHE  36  -5.346   6.952   0.217
  295    HE2  PHE  36           1HE      PHE  36  -2.949   4.622  -2.428
  296    HZ   PHE  36           HZ       PHE  36  -3.719   6.819  -1.627
  297    HA   PRO  37           HA       PRO  37  -5.677  -1.347   4.380
  298   1HB   PRO  37          2HB       PRO  37  -7.301   0.050   6.369
  299   2HB   PRO  37          1HB       PRO  37  -5.815  -0.874   6.587
  300   1HG   PRO  37          2HG       PRO  37  -5.901   1.813   6.857
  301   2HG   PRO  37          1HG       PRO  37  -4.467   0.955   6.262
  302   1HD   PRO  37          2HD       PRO  37  -6.551   2.457   4.719
  303   2HD   PRO  37          1HD       PRO  37  -4.788   2.418   4.494
  304    H    VAL  38           H        VAL  38  -7.236  -2.779   3.931
  305    HA   VAL  38           HA       VAL  38  -9.852  -1.828   3.080
  306    HB   VAL  38           HB       VAL  38  -8.798  -4.664   3.175
  307   1HG1  VAL  38          1HG1      VAL  38 -11.223  -3.509   1.794
  308   2HG1  VAL  38          2HG1      VAL  38 -11.235  -4.560   3.211
  309   3HG1  VAL  38          3HG1      VAL  38 -10.658  -5.174   1.660
  310   1HG2  VAL  38          1HG2      VAL  38  -8.954  -2.733   0.863
  311   2HG2  VAL  38          2HG2      VAL  38  -8.481  -4.429   0.757
  312   3HG2  VAL  38          3HG2      VAL  38  -7.483  -3.289   1.659
  313    H    ARG  39           H        ARG  39 -11.279  -1.414   4.620
  314    HA   ARG  39           HA       ARG  39 -11.101  -2.851   7.149
  315   1HB   ARG  39          2HB       ARG  39 -11.234  -0.354   7.097
  316   2HB   ARG  39          1HB       ARG  39 -12.848  -0.497   6.419
  317   1HG   ARG  39          2HG       ARG  39 -13.645  -1.579   8.419
  318   2HG   ARG  39          1HG       ARG  39 -12.019  -1.585   9.103
  319   1HD   ARG  39          2HD       ARG  39 -12.007   0.861   9.086
  320   2HD   ARG  39          1HD       ARG  39 -13.626   0.867   8.389
  321    HE   ARG  39           HE       ARG  39 -13.801  -0.599  10.721
  322   1HH1  ARG  39          1HH1      ARG  39 -12.786   2.643   9.874
  323   2HH1  ARG  39          2HH1      ARG  39 -13.398   3.352  11.344
  324   1HH2  ARG  39          1HH2      ARG  39 -14.588   0.319  12.657
  325   2HH2  ARG  39          2HH2      ARG  39 -14.412   2.027  12.924
  326    H    ASP  40           H        ASP  40 -11.827  -4.773   6.007
  327    HA   ASP  40           HA       ASP  40 -13.329  -6.399   5.576
  328   1HB   ASP  40          2HB       ASP  40 -14.030  -5.876   7.884
  329   2HB   ASP  40          1HB       ASP  40 -15.198  -4.718   7.255
  330    H    GLY  41           H        GLY  41 -13.445  -6.035   3.357
  331   1HA   GLY  41          2HA       GLY  41 -14.822  -6.064   1.488
  332   2HA   GLY  41          1HA       GLY  41 -16.124  -5.416   2.466
  333    H    VAL  42           H        VAL  42 -14.439  -3.132   3.379
  334    HA   VAL  42           HA       VAL  42 -14.655  -1.571   0.888
  335    HB   VAL  42           HB       VAL  42 -15.113  -0.598   3.709
  336   1HG1  VAL  42          1HG1      VAL  42 -15.497   0.781   1.055
  337   2HG1  VAL  42          2HG1      VAL  42 -14.239   1.141   2.236
  338   3HG1  VAL  42          3HG1      VAL  42 -15.931   1.443   2.630
  339   1HG2  VAL  42          1HG2      VAL  42 -16.888  -2.106   2.960
  340   2HG2  VAL  42          2HG2      VAL  42 -17.092  -1.138   1.498
  341   3HG2  VAL  42          3HG2      VAL  42 -17.467  -0.443   3.075
  342    HA   PRO  43           HA       PRO  43 -10.266  -0.788   1.712
  343   1HB   PRO  43          2HB       PRO  43 -10.361   0.493  -0.919
  344   2HB   PRO  43          1HB       PRO  43  -9.418  -0.905  -0.394
  345   1HG   PRO  43          2HG       PRO  43 -11.484  -1.124  -2.121
  346   2HG   PRO  43          1HG       PRO  43 -11.070  -2.402  -0.964
  347   1HD   PRO  43          2HD       PRO  43 -13.225  -0.321  -0.800
  348   2HD   PRO  43          1HD       PRO  43 -13.296  -2.050  -0.393
  349    H    ILE  44           H        ILE  44  -9.911   0.880   3.046
  350    HA   ILE  44           HA       ILE  44 -11.431   3.319   2.772
  351    HB   ILE  44           HB       ILE  44  -9.273   2.661   4.784
  352   1HG1  ILE  44          2HG1      ILE  44 -11.116   1.060   4.924
  353   2HG1  ILE  44          1HG1      ILE  44 -11.129   2.139   6.316
  354   1HG2  ILE  44          1HG2      ILE  44  -9.691   5.051   4.566
  355   2HG2  ILE  44          2HG2      ILE  44 -10.287   4.451   6.114
  356   3HG2  ILE  44          3HG2      ILE  44 -11.419   4.785   4.802
  357   1HD1  ILE  44          1HD1      ILE  44 -12.927   3.436   5.270
  358   2HD1  ILE  44          2HD1      ILE  44 -13.376   1.748   5.507
  359   3HD1  ILE  44          3HD1      ILE  44 -12.922   2.323   3.900
  360    H    MET  45           H        MET  45 -10.667   4.190   0.845
  361    HA   MET  45           HA       MET  45  -7.853   4.888   0.652
  362   1HB   MET  45          2HB       MET  45 -10.156   5.371  -1.245
  363   2HB   MET  45          1HB       MET  45  -8.497   5.855  -1.561
  364   1HG   MET  45          2HG       MET  45  -7.828   3.471  -1.377
  365   2HG   MET  45          1HG       MET  45  -9.534   3.051  -1.235
  366   1HE   MET  45          1HE       MET  45 -10.898   5.121  -3.211
  367   2HE   MET  45          2HE       MET  45 -11.316   3.408  -3.170
  368   3HE   MET  45          3HE       MET  45 -10.944   4.187  -4.706
  369    H    LEU  46           H        LEU  46  -8.265   6.156   2.706
  370    HA   LEU  46           HA       LEU  46  -9.011   8.918   1.989
  371   1HB   LEU  46          2HB       LEU  46  -9.212   7.567   4.687
  372   2HB   LEU  46          1HB       LEU  46  -9.516   9.268   4.393
  373    HG   LEU  46           HG       LEU  46 -11.119   6.988   3.228
  374   1HD1  LEU  46          1HD1      LEU  46 -11.454   7.205   5.628
  375   2HD1  LEU  46          2HD1      LEU  46 -12.881   7.747   4.748
  376   3HD1  LEU  46          3HD1      LEU  46 -11.773   8.929   5.441
  377   1HD2  LEU  46          1HD2      LEU  46 -11.077   8.941   1.762
  378   2HD2  LEU  46          2HD2      LEU  46 -11.555   9.973   3.109
  379   3HD2  LEU  46          3HD2      LEU  46 -12.666   8.745   2.504
  380    H    GLU  47           H        GLU  47  -7.597  10.553   2.590
  381    HA   GLU  47           HA       GLU  47  -4.868   9.687   2.815
  382   1HB   GLU  47          2HB       GLU  47  -5.695  11.607   1.389
  383   2HB   GLU  47          1HB       GLU  47  -5.911  12.523   2.873
  384   1HG   GLU  47          2HG       GLU  47  -3.588  12.529   3.316
  385   2HG   GLU  47          1HG       GLU  47  -3.275  11.333   2.059
  386    H    ALA  48           H        ALA  48  -7.293  10.488   5.033
  387    HA   ALA  48           HA       ALA  48  -5.429  11.245   7.141
  388   1HB   ALA  48          1HB       ALA  48  -7.424  11.466   8.542
  389   2HB   ALA  48          2HB       ALA  48  -8.416  10.823   7.230
  390   3HB   ALA  48          3HB       ALA  48  -7.589  12.369   7.035
  391    H    GLU  49           H        GLU  49  -6.602   8.418   5.783
  392    HA   GLU  49           HA       GLU  49  -6.314   6.900   8.293
  393   1HB   GLU  49          2HB       GLU  49  -7.874   6.299   5.779
  394   2HB   GLU  49          1HB       GLU  49  -7.594   5.109   7.041
  395   1HG   GLU  49          2HG       GLU  49  -8.841   7.745   7.694
  396   2HG   GLU  49          1HG       GLU  49  -9.805   6.433   7.017
  397    H    ALA  50           H        ALA  50  -5.200   7.243   5.010
  398    HA   ALA  50           HA       ALA  50  -3.783   4.734   4.968
  399   1HB   ALA  50          1HB       ALA  50  -2.979   5.460   2.790
  400   2HB   ALA  50          2HB       ALA  50  -3.642   7.071   3.067
  401   3HB   ALA  50          3HB       ALA  50  -4.723   5.685   2.918
  402    H    ARG  51           H        ARG  51  -1.737   4.370   5.520
  403    HA   ARG  51           HA       ARG  51  -0.161   6.628   6.505
  404   1HB   ARG  51          2HB       ARG  51   1.228   4.993   7.622
  405   2HB   ARG  51          1HB       ARG  51  -0.460   4.662   7.983
  406   1HG   ARG  51          2HG       ARG  51  -0.472   2.864   6.337
  407   2HG   ARG  51          1HG       ARG  51   1.215   3.209   5.946
  408   1HD   ARG  51          2HD       ARG  51   1.852   2.686   8.247
  409   2HD   ARG  51          1HD       ARG  51   0.170   2.341   8.637
  410    HE   ARG  51           HE       ARG  51   0.351   0.502   6.937
  411   1HH1  ARG  51          1HH1      ARG  51   3.226   1.765   8.512
  412   2HH1  ARG  51          2HH1      ARG  51   4.063   0.242   8.474
  413   1HH2  ARG  51          1HH2      ARG  51   1.440  -1.507   6.900
  414   2HH2  ARG  51          2HH2      ARG  51   3.046  -1.620   7.573
  415    H    SER  52           H        SER  52   1.935   7.069   5.770
  416    HA   SER  52           HA       SER  52   2.646   5.822   3.234
  417   1HB   SER  52          2HB       SER  52   2.626   8.167   3.076
  418   2HB   SER  52          1HB       SER  52   3.542   8.364   4.556
  419    HG   SER  52           HG       SER  52   4.414   7.990   2.014
  420    H    LEU  53           H        LEU  53   4.617   4.967   2.869
  421    HA   LEU  53           HA       LEU  53   5.779   3.648   5.173
  422   1HB   LEU  53          2HB       LEU  53   6.521   3.463   2.250
  423   2HB   LEU  53          1HB       LEU  53   7.086   2.395   3.520
  424    HG   LEU  53           HG       LEU  53   4.225   2.652   2.589
  425   1HD1  LEU  53          1HD1      LEU  53   4.555   0.406   1.681
  426   2HD1  LEU  53          2HD1      LEU  53   6.251   0.460   2.162
  427   3HD1  LEU  53          3HD1      LEU  53   5.645   1.574   0.935
  428   1HD2  LEU  53          1HD2      LEU  53   4.368   2.093   4.960
  429   2HD2  LEU  53          2HD2      LEU  53   5.474   0.769   4.592
  430   3HD2  LEU  53          3HD2      LEU  53   3.807   0.710   4.018
  431    H    ASP  54           H        ASP  54   6.301   6.511   3.571
  432    HA   ASP  54           HA       ASP  54   9.165   6.568   4.233
  433   1HB   ASP  54          2HB       ASP  54   8.525   7.074   1.881
  434   2HB   ASP  54          1HB       ASP  54   7.576   8.440   2.461
  435    H    ALA  55           H        ALA  55   6.092   7.742   5.114
  436    HA   ALA  55           HA       ALA  55   7.040  10.165   6.378
  437   1HB   ALA  55          1HB       ALA  55   4.720  10.503   7.027
  438   2HB   ALA  55          2HB       ALA  55   4.309   8.890   6.446
  439   3HB   ALA  55          3HB       ALA  55   4.844  10.127   5.308
  440    H    GLU  56           H        GLU  56   6.174   6.899   7.360
  441    HA   GLU  56           HA       GLU  56   6.334   7.638  10.167
  442   1HB   GLU  56          2HB       GLU  56   5.788   5.252  10.592
  443   2HB   GLU  56          1HB       GLU  56   4.589   6.084   9.615
  444   1HG   GLU  56          2HG       GLU  56   5.307   4.986   7.646
  445   2HG   GLU  56          1HG       GLU  56   6.751   4.360   8.438
  446    H    ALA  57           H        ALA  57   7.471   5.443  11.323
  447    HA   ALA  57           HA       ALA  57  10.253   6.019  11.012
  448   1HB   ALA  57          1HB       ALA  57   9.259   5.518  13.199
  449   2HB   ALA  57          2HB       ALA  57  10.573   4.403  12.819
  450   3HB   ALA  57          3HB       ALA  57   8.895   3.883  12.653
  451    HA   PRO  58           HA       PRO  58  10.897   2.928   7.882
  452   1HB   PRO  58          2HB       PRO  58  13.678   3.732   7.886
  453   2HB   PRO  58          1HB       PRO  58  12.441   4.060   6.673
  454   1HG   PRO  58          2HG       PRO  58  13.560   5.983   8.255
  455   2HG   PRO  58          1HG       PRO  58  11.929   6.104   7.569
  456   1HD   PRO  58          2HD       PRO  58  12.775   5.304  10.329
  457   2HD   PRO  58          1HD       PRO  58  11.414   6.328   9.820
  458    H    ALA  59           H        ALA  59  13.394   1.749   7.542
  459    HA   ALA  59           HA       ALA  59  13.280  -0.394   9.377
  460   1HB   ALA  59          1HB       ALA  59  14.114  -0.647   7.079
  461   2HB   ALA  59          2HB       ALA  59  15.285  -1.223   8.265
  462   3HB   ALA  59          3HB       ALA  59  15.514   0.342   7.490
  463    H    GLN  60           H        GLN  60  14.910  -1.100  10.858
  464    HA   GLN  60           HA       GLN  60  15.528   0.867  12.751
  465   1HB   GLN  60          2HB       GLN  60  16.657  -1.934  12.515
  466   2HB   GLN  60          1HB       GLN  60  16.747  -0.913  13.940
  467   1HG   GLN  60          2HG       GLN  60  15.015  -2.430  14.363
  468   2HG   GLN  60          1HG       GLN  60  14.219  -0.917  13.947
  469   1HE2  GLN  60          1HE2      GLN  60  12.322  -1.972  13.385
  470   2HE2  GLN  60          2HE2      GLN  60  12.178  -2.897  11.921
  471    HA   PRO  61           HA       PRO  61  19.398   2.255  10.964
  472   1HB   PRO  61          2HB       PRO  61  19.555   4.041  13.259
  473   2HB   PRO  61          1HB       PRO  61  19.320   4.449  11.557
  474   1HG   PRO  61          2HG       PRO  61  17.379   4.754  13.434
  475   2HG   PRO  61          1HG       PRO  61  17.029   4.410  11.732
  476   1HD   PRO  61          2HD       PRO  61  17.058   2.546  14.077
  477   2HD   PRO  61          1HD       PRO  61  15.917   2.631  12.716
  478    H    SER  62           H        SER  62  20.302   0.176  11.577
  479    HA   SER  62           HA       SER  62  22.144   0.424  13.834
  480   1HB   SER  62          2HB       SER  62  20.378  -1.993  13.341
  481   2HB   SER  62          1HB       SER  62  21.620  -1.864  14.586
  482    HG   SER  62           HG       SER  62  20.102   0.236  14.901
  483    H    LEU  63           H        LEU  63  23.059  -2.342  13.508
  484    HA   LEU  63           HA       LEU  63  24.864  -1.839  11.327
  485   1HB   LEU  63          2HB       LEU  63  24.582  -4.217  13.158
  486   2HB   LEU  63          1HB       LEU  63  25.878  -4.004  11.998
  487    HG   LEU  63           HG       LEU  63  25.333  -2.223  14.374
  488   1HD1  LEU  63          1HD1      LEU  63  27.476  -3.132  15.203
  489   2HD1  LEU  63          2HD1      LEU  63  27.480  -4.276  13.857
  490   3HD1  LEU  63          3HD1      LEU  63  26.209  -4.350  15.077
  491   1HD2  LEU  63          1HD2      LEU  63  27.590  -2.157  12.373
  492   2HD2  LEU  63          2HD2      LEU  63  27.425  -1.129  13.796
  493   3HD2  LEU  63          3HD2      LEU  63  26.269  -0.995  12.473
  494    H    GLU  64           H        GLU  64  21.828  -2.762  11.146
  495    HA   GLU  64           HA       GLU  64  22.087  -5.110   9.483
  496   1HB   GLU  64          2HB       GLU  64  20.164  -4.633  11.102
  497   2HB   GLU  64          1HB       GLU  64  19.586  -3.482   9.903
  498   1HG   GLU  64          2HG       GLU  64  18.443  -5.615   9.705
  499   2HG   GLU  64          1HG       GLU  64  19.398  -5.269   8.263
  500    H    HIS  65           H        HIS  65  23.472  -4.061   7.906
  501    HA   HIS  65           HA       HIS  65  21.869  -2.965   5.729
  502   1HB   HIS  65          2HB       HIS  65  24.424  -1.660   6.709
  503   2HB   HIS  65          1HB       HIS  65  23.649  -1.291   5.176
  504    HD1  HIS  65           1HD      HIS  65  21.313  -0.015   5.322
  505    HD2  HIS  65           2HD      HIS  65  23.406  -0.361   8.900
  506    HE1  HIS  65           1HE      HIS  65  20.276   1.662   6.883
  507    HE2  HIS  65           2HE      HIS  65  21.690   1.570   8.971
  508    H    HIS  66           H        HIS  66  23.377  -2.860   3.687
  509    HA   HIS  66           HA       HIS  66  25.025  -5.305   3.711
  510   1HB   HIS  66          2HB       HIS  66  23.334  -4.013   1.608
  511   2HB   HIS  66          1HB       HIS  66  24.732  -4.961   1.109
  512    HD1  HIS  66           1HD      HIS  66  23.079  -6.661  -0.000
  513    HD2  HIS  66           2HD      HIS  66  22.734  -6.342   4.136
  514    HE1  HIS  66           1HE      HIS  66  21.747  -8.665   0.728
  515    HE2  HIS  66           2HE      HIS  66  21.728  -8.557   3.243
  516    H    HIS  67           H        HIS  67  27.067  -4.813   4.024
  517    HA   HIS  67           HA       HIS  67  28.436  -3.104   2.156
  518   1HB   HIS  67          2HB       HIS  67  27.844  -2.196   4.889
  519   2HB   HIS  67          1HB       HIS  67  29.553  -2.122   4.470
  520    HD1  HIS  67           1HD      HIS  67  27.947   0.464   4.944
  521    HD2  HIS  67           2HD      HIS  67  28.548  -1.283   1.213
  522    HE1  HIS  67           1HE      HIS  67  27.653   2.315   3.266
  523    HE2  HIS  67           2HE      HIS  67  27.963   1.231   1.013
  524    H    HIS  68           H        HIS  68  30.883  -2.905   3.422
  525    HA   HIS  68           HA       HIS  68  31.822  -5.602   3.188
  526   1HB   HIS  68          2HB       HIS  68  33.157  -3.710   2.378
  527   2HB   HIS  68          1HB       HIS  68  33.278  -3.082   4.017
  528    HD1  HIS  68           1HD      HIS  68  34.389  -6.047   1.946
  529    HD2  HIS  68           2HD      HIS  68  35.369  -4.077   5.479
  530    HE1  HIS  68           1HE      HIS  68  36.520  -7.118   2.754
  531    HE2  HIS  68           2HE      HIS  68  37.189  -5.792   4.796
  532    H    HIS  69           H        HIS  69  31.674  -7.046   4.744
  533    HA   HIS  69           HA       HIS  69  31.337  -6.306   7.494
  534   1HB   HIS  69          2HB       HIS  69  30.300  -8.342   6.464
  535   2HB   HIS  69          1HB       HIS  69  31.907  -9.049   6.343
  536    HD1  HIS  69           1HD      HIS  69  29.307  -8.058   8.877
  537    HD2  HIS  69           2HD      HIS  69  32.903 -10.144   8.691
  538    HE1  HIS  69           1HE      HIS  69  29.548  -9.195  11.104
  539    HE2  HIS  69           2HE      HIS  69  31.820 -10.274  11.039
  540    H    HIS  70           H        HIS  70  33.080  -5.284   8.303
  541    HA   HIS  70           HA       HIS  70  35.743  -6.383   7.923
  542   1HB   HIS  70          2HB       HIS  70  35.483  -3.962   7.763
  543   2HB   HIS  70          1HB       HIS  70  34.775  -3.907   9.373
  544    HD1  HIS  70           1HD      HIS  70  36.366  -3.135  11.085
  545    HD2  HIS  70           2HD      HIS  70  38.290  -5.145   7.990
  546    HE1  HIS  70           1HE      HIS  70  38.815  -3.084  11.658
  547    HE2  HIS  70           2HE      HIS  70  39.974  -4.160   9.698
  Start of MODEL    7
    1   1H    MET   1          1H        MET   1 -10.568 -11.672 -18.777
    2   2H    MET   1          2H        MET   1 -10.582 -12.969 -19.871
    3   3H    MET   1          3H        MET   1 -10.746 -11.380 -20.434
    4    HA   MET   1           HA       MET   1  -8.342 -12.485 -19.113
    5   1HB   MET   1          2HB       MET   1  -9.004 -13.233 -21.516
    6   2HB   MET   1          1HB       MET   1  -8.565 -11.600 -21.984
    7   1HG   MET   1          2HG       MET   1  -6.671 -13.393 -20.505
    8   2HG   MET   1          1HG       MET   1  -6.823 -13.433 -22.257
    9   1HE   MET   1          1HE       MET   1  -4.071 -12.943 -20.798
   10   2HE   MET   1          2HE       MET   1  -3.411 -11.607 -21.739
   11   3HE   MET   1          3HE       MET   1  -4.246 -12.925 -22.557
   12    H    GLU   2           H        GLU   2  -6.722 -11.002 -18.729
   13    HA   GLU   2           HA       GLU   2  -5.640  -9.027 -18.503
   14   1HB   GLU   2          2HB       GLU   2  -6.047  -8.775 -20.937
   15   2HB   GLU   2          1HB       GLU   2  -7.570  -7.980 -20.583
   16   1HG   GLU   2          2HG       GLU   2  -5.301  -6.729 -19.260
   17   2HG   GLU   2          1HG       GLU   2  -5.160  -6.751 -21.018
   18    H    SER   3           H        SER   3  -8.597  -7.279 -19.252
   19    HA   SER   3           HA       SER   3  -9.752  -5.753 -18.008
   20   1HB   SER   3          2HB       SER   3  -9.781  -8.091 -16.081
   21   2HB   SER   3          1HB       SER   3 -10.901  -6.731 -16.059
   22    HG   SER   3           HG       SER   3 -10.975  -7.614 -18.505
   23    H    ARG   4           H        ARG   4  -7.149  -5.067 -17.814
   24    HA   ARG   4           HA       ARG   4  -6.471  -4.863 -14.960
   25   1HB   ARG   4          2HB       ARG   4  -4.844  -4.361 -17.457
   26   2HB   ARG   4          1HB       ARG   4  -4.244  -4.106 -15.826
   27   1HG   ARG   4          2HG       ARG   4  -4.567  -6.478 -15.336
   28   2HG   ARG   4          1HG       ARG   4  -5.173  -6.728 -16.974
   29   1HD   ARG   4          2HD       ARG   4  -2.835  -7.394 -16.790
   30   2HD   ARG   4          1HD       ARG   4  -3.022  -6.026 -17.886
   31    HE   ARG   4           HE       ARG   4  -2.463  -5.026 -15.333
   32   1HH1  ARG   4          1HH1      ARG   4  -0.878  -6.899 -17.842
   33   2HH1  ARG   4          2HH1      ARG   4   0.714  -6.328 -17.440
   34   1HH2  ARG   4          1HH2      ARG   4  -0.365  -4.277 -14.802
   35   2HH2  ARG   4          2HH2      ARG   4   1.006  -4.826 -15.722
   36    H    LEU   5           H        LEU   5  -8.568  -3.258 -16.219
   37    HA   LEU   5           HA       LEU   5  -7.549  -0.619 -16.631
   38   1HB   LEU   5          2HB       LEU   5 -10.342  -1.693 -16.317
   39   2HB   LEU   5          1HB       LEU   5 -10.012   0.016 -16.513
   40    HG   LEU   5           HG       LEU   5  -8.835  -0.607 -18.689
   41   1HD1  LEU   5          1HD1      LEU   5  -9.511  -2.685 -19.746
   42   2HD1  LEU   5          2HD1      LEU   5 -10.366  -3.170 -18.282
   43   3HD1  LEU   5          3HD1      LEU   5  -8.611  -3.002 -18.264
   44   1HD2  LEU   5          1HD2      LEU   5 -10.946  -0.692 -19.924
   45   2HD2  LEU   5          2HD2      LEU   5 -10.990   0.497 -18.623
   46   3HD2  LEU   5          3HD2      LEU   5 -11.803  -1.056 -18.424
   47    H    LEU   6           H        LEU   6  -9.680  -1.964 -14.097
   48    HA   LEU   6           HA       LEU   6 -10.043  -1.376 -11.927
   49   1HB   LEU   6          2HB       LEU   6  -7.204  -0.362 -12.115
   50   2HB   LEU   6          1HB       LEU   6  -8.084  -0.648 -10.627
   51    HG   LEU   6           HG       LEU   6  -7.336  -2.770 -12.640
   52   1HD1  LEU   6          1HD1      LEU   6  -5.766  -3.537 -10.941
   53   2HD1  LEU   6          2HD1      LEU   6  -6.196  -2.167  -9.917
   54   3HD1  LEU   6          3HD1      LEU   6  -5.392  -1.894 -11.462
   55   1HD2  LEU   6          1HD2      LEU   6  -8.087  -4.344 -10.923
   56   2HD2  LEU   6          2HD2      LEU   6  -9.402  -3.299 -11.464
   57   3HD2  LEU   6          3HD2      LEU   6  -8.613  -2.997  -9.916
   58    H    ASP   7           H        ASP   7 -11.079   0.371 -13.716
   59    HA   ASP   7           HA       ASP   7 -10.180   3.068 -13.345
   60   1HB   ASP   7          2HB       ASP   7 -11.168   2.220 -15.469
   61   2HB   ASP   7          1HB       ASP   7 -12.716   2.052 -14.649
   62    H    ILE   8           H        ILE   8 -12.343   1.025 -11.664
   63    HA   ILE   8           HA       ILE   8 -14.089   3.155 -10.774
   64    HB   ILE   8           HB       ILE   8 -15.246   1.411  -9.476
   65   1HG1  ILE   8          2HG1      ILE   8 -13.207  -0.475 -10.688
   66   2HG1  ILE   8          1HG1      ILE   8 -13.241   0.011  -8.996
   67   1HG2  ILE   8          1HG2      ILE   8 -15.904   1.853 -11.764
   68   2HG2  ILE   8          2HG2      ILE   8 -16.076   0.138 -11.395
   69   3HG2  ILE   8          3HG2      ILE   8 -14.706   0.701 -12.349
   70   1HD1  ILE   8          1HD1      ILE   8 -15.409  -1.042  -8.715
   71   2HD1  ILE   8          2HD1      ILE   8 -14.233  -2.200  -9.345
   72   3HD1  ILE   8          3HD1      ILE   8 -15.430  -1.481 -10.424
   73    H    LEU   9           H        LEU   9 -11.075   2.173  -9.811
   74    HA   LEU   9           HA       LEU   9 -11.586   3.054  -7.047
   75   1HB   LEU   9          2HB       LEU   9  -9.615   1.024  -8.078
   76   2HB   LEU   9          1HB       LEU   9  -9.463   1.760  -6.495
   77    HG   LEU   9           HG       LEU   9 -11.841   0.144  -7.413
   78   1HD1  LEU   9          1HD1      LEU   9  -9.527  -0.606  -5.634
   79   2HD1  LEU   9          2HD1      LEU   9  -9.879  -1.261  -7.235
   80   3HD1  LEU   9          3HD1      LEU   9 -10.974  -1.581  -5.891
   81   1HD2  LEU   9          1HD2      LEU   9 -12.397   1.804  -5.708
   82   2HD2  LEU   9          2HD2      LEU   9 -11.083   1.218  -4.691
   83   3HD2  LEU   9          3HD2      LEU   9 -12.462   0.176  -5.039
   84    H    VAL  10           H        VAL  10 -10.836   5.019  -6.703
   85    HA   VAL  10           HA       VAL  10  -8.327   5.807  -8.010
   86    HB   VAL  10           HB       VAL  10  -9.188   8.137  -8.141
   87   1HG1  VAL  10          1HG1      VAL  10 -10.566   7.767 -10.135
   88   2HG1  VAL  10          2HG1      VAL  10 -10.753   6.072  -9.685
   89   3HG1  VAL  10          3HG1      VAL  10  -9.160   6.700 -10.106
   90   1HG2  VAL  10          1HG2      VAL  10 -11.831   6.845  -7.470
   91   2HG2  VAL  10          2HG2      VAL  10 -11.619   8.502  -8.044
   92   3HG2  VAL  10          3HG2      VAL  10 -10.955   8.017  -6.482
   93    H    CYS  11           H        CYS  11  -6.934   7.039  -6.876
   94    HA   CYS  11           HA       CYS  11  -6.942   6.967  -4.058
   95   1HB   CYS  11          2HB       CYS  11  -4.850   7.027  -5.205
   96   2HB   CYS  11          1HB       CYS  11  -5.292   8.486  -6.081
   97    HG   CYS  11           HG       CYS  11  -3.269   8.610  -3.854
   98    HA   PRO  12           HA       PRO  12  -9.483  10.482  -3.124
   99   1HB   PRO  12          2HB       PRO  12  -8.532  11.011  -0.616
  100   2HB   PRO  12          1HB       PRO  12  -9.669   9.710  -0.982
  101   1HG   PRO  12          2HG       PRO  12  -6.708   9.586  -0.586
  102   2HG   PRO  12          1HG       PRO  12  -7.964   8.474  -0.012
  103   1HD   PRO  12          2HD       PRO  12  -6.424   7.930  -2.168
  104   2HD   PRO  12          1HD       PRO  12  -8.113   7.396  -2.049
  105    H    VAL  13           H        VAL  13  -5.987  10.627  -2.795
  106    HA   VAL  13           HA       VAL  13  -6.044  13.543  -2.689
  107    HB   VAL  13           HB       VAL  13  -3.689  11.658  -2.514
  108   1HG1  VAL  13          1HG1      VAL  13  -2.450  13.622  -1.700
  109   2HG1  VAL  13          2HG1      VAL  13  -3.859  14.630  -2.030
  110   3HG1  VAL  13          3HG1      VAL  13  -3.019  13.829  -3.357
  111   1HG2  VAL  13          1HG2      VAL  13  -3.692  12.244  -0.117
  112   2HG2  VAL  13          2HG2      VAL  13  -5.160  11.400  -0.610
  113   3HG2  VAL  13          3HG2      VAL  13  -5.192  13.145  -0.360
  114    H    CYS  14           H        CYS  14  -4.096  11.166  -4.506
  115    HA   CYS  14           HA       CYS  14  -3.482  13.165  -6.483
  116   1HB   CYS  14          2HB       CYS  14  -2.741  10.235  -6.400
  117   2HB   CYS  14          1HB       CYS  14  -2.027  11.457  -7.450
  118    HG   CYS  14           HG       CYS  14  -1.489  10.859  -4.164
  119    H    LYS  15           H        LYS  15  -6.055  11.133  -6.064
  120    HA   LYS  15           HA       LYS  15  -7.692  10.247  -7.349
  121   1HB   LYS  15          2HB       LYS  15  -6.893  12.533  -9.157
  122   2HB   LYS  15          1HB       LYS  15  -8.388  11.618  -9.292
  123   1HG   LYS  15          2HG       LYS  15  -7.548  13.330  -6.964
  124   2HG   LYS  15          1HG       LYS  15  -8.779  13.712  -8.163
  125   1HD   LYS  15          2HD       LYS  15  -8.867  11.393  -6.238
  126   2HD   LYS  15          1HD       LYS  15  -9.756  12.905  -6.059
  127   1HE   LYS  15          2HE       LYS  15 -10.058  11.017  -8.386
  128   2HE   LYS  15          1HE       LYS  15 -11.106  11.020  -6.970
  129   1HZ   LYS  15          1HZ       LYS  15 -10.772  13.219  -8.946
  130   2HZ   LYS  15          2HZ       LYS  15 -11.651  13.364  -7.502
  131   3HZ   LYS  15          3HZ       LYS  15 -12.151  12.262  -8.695
  132    H    GLY  16           H        GLY  16  -5.020   9.149  -7.743
  133   1HA   GLY  16          2HA       GLY  16  -5.086   8.318 -10.546
  134   2HA   GLY  16          1HA       GLY  16  -3.822   7.940  -9.380
  135    H    ARG  17           H        ARG  17  -4.953   5.981 -11.038
  136    HA   ARG  17           HA       ARG  17  -7.110   4.637  -9.794
  137   1HB   ARG  17          2HB       ARG  17  -5.091   3.800 -11.850
  138   2HB   ARG  17          1HB       ARG  17  -6.305   2.684 -11.241
  139   1HG   ARG  17          2HG       ARG  17  -8.070   4.186 -12.007
  140   2HG   ARG  17          1HG       ARG  17  -6.851   5.307 -12.617
  141   1HD   ARG  17          2HD       ARG  17  -6.060   3.667 -14.188
  142   2HD   ARG  17          1HD       ARG  17  -7.136   2.445 -13.510
  143    HE   ARG  17           HE       ARG  17  -8.922   4.227 -14.256
  144   1HH1  ARG  17          1HH1      ARG  17  -6.051   3.210 -15.973
  145   2HH1  ARG  17          2HH1      ARG  17  -6.762   3.423 -17.543
  146   1HH2  ARG  17          1HH2      ARG  17  -9.871   4.510 -16.312
  147   2HH2  ARG  17          2HH2      ARG  17  -8.923   4.171 -17.743
  148    H    LEU  18           H        LEU  18  -7.201   2.961  -8.424
  149    HA   LEU  18           HA       LEU  18  -4.762   2.333  -6.930
  150   1HB   LEU  18          2HB       LEU  18  -7.629   1.635  -6.296
  151   2HB   LEU  18          1HB       LEU  18  -6.252   1.437  -5.232
  152    HG   LEU  18           HG       LEU  18  -7.403   4.063  -6.171
  153   1HD1  LEU  18          1HD1      LEU  18  -8.009   4.349  -3.811
  154   2HD1  LEU  18          2HD1      LEU  18  -7.425   2.721  -3.473
  155   3HD1  LEU  18          3HD1      LEU  18  -8.810   2.955  -4.538
  156   1HD2  LEU  18          1HD2      LEU  18  -4.988   4.208  -5.904
  157   2HD2  LEU  18          2HD2      LEU  18  -5.109   3.496  -4.296
  158   3HD2  LEU  18          3HD2      LEU  18  -5.812   5.084  -4.613
  159    H    GLU  19           H        GLU  19  -3.979   0.245  -6.741
  160    HA   GLU  19           HA       GLU  19  -5.285  -1.736  -8.468
  161   1HB   GLU  19          2HB       GLU  19  -2.988  -2.624  -8.917
  162   2HB   GLU  19          1HB       GLU  19  -3.321  -1.052  -9.618
  163   1HG   GLU  19          2HG       GLU  19  -2.066   0.022  -7.836
  164   2HG   GLU  19          1HG       GLU  19  -1.776  -1.546  -7.082
  165    H    PHE  20           H        PHE  20  -5.622  -3.697  -7.653
  166    HA   PHE  20           HA       PHE  20  -5.109  -4.101  -4.836
  167   1HB   PHE  20          2HB       PHE  20  -7.308  -4.680  -5.843
  168   2HB   PHE  20          1HB       PHE  20  -6.510  -5.906  -6.823
  169    HD1  PHE  20           1HD      PHE  20  -7.400  -4.943  -3.370
  170    HD2  PHE  20           2HD      PHE  20  -5.991  -8.039  -5.934
  171    HE1  PHE  20           1HE      PHE  20  -7.720  -6.582  -1.564
  172    HE2  PHE  20           2HE      PHE  20  -6.298  -9.680  -4.126
  173    HZ   PHE  20           HZ       PHE  20  -7.166  -8.953  -1.939
  174    H    GLN  21           H        GLN  21  -3.111  -4.733  -4.326
  175    HA   GLN  21           HA       GLN  21  -1.794  -6.734  -6.009
  176   1HB   GLN  21          2HB       GLN  21  -0.785  -4.809  -3.927
  177   2HB   GLN  21          1HB       GLN  21   0.195  -6.150  -4.490
  178   1HG   GLN  21          2HG       GLN  21  -0.047  -5.293  -6.806
  179   2HG   GLN  21          1HG       GLN  21  -0.878  -3.885  -6.142
  180   1HE2  GLN  21          1HE2      GLN  21   0.735  -2.540  -6.969
  181   2HE2  GLN  21          2HE2      GLN  21   2.281  -2.418  -6.201
  182    H    ARG  22           H        ARG  22  -1.252  -8.728  -5.249
  183    HA   ARG  22           HA       ARG  22  -2.586  -9.482  -2.778
  184   1HB   ARG  22          2HB       ARG  22  -2.901 -10.781  -4.911
  185   2HB   ARG  22          1HB       ARG  22  -1.224 -11.292  -4.774
  186   1HG   ARG  22          2HG       ARG  22  -1.696 -12.399  -2.680
  187   2HG   ARG  22          1HG       ARG  22  -3.362 -11.824  -2.728
  188   1HD   ARG  22          2HD       ARG  22  -3.701 -13.071  -4.826
  189   2HD   ARG  22          1HD       ARG  22  -2.055 -13.687  -4.702
  190    HE   ARG  22           HE       ARG  22  -3.419 -14.292  -2.322
  191   1HH1  ARG  22          1HH1      ARG  22  -3.428 -15.159  -5.716
  192   2HH1  ARG  22          2HH1      ARG  22  -4.034 -16.768  -5.437
  193   1HH2  ARG  22          1HH2      ARG  22  -4.228 -16.408  -1.947
  194   2HH2  ARG  22          2HH2      ARG  22  -4.493 -17.472  -3.292
  195    H    ALA  23           H        ALA  23  -0.827  -8.102  -1.762
  196    HA   ALA  23           HA       ALA  23   1.449  -9.822  -1.045
  197   1HB   ALA  23          1HB       ALA  23   2.344  -7.858   0.114
  198   2HB   ALA  23          2HB       ALA  23   0.896  -6.942  -0.299
  199   3HB   ALA  23          3HB       ALA  23   1.996  -7.475  -1.572
  200    H    GLN  24           H        GLN  24  -0.858  -7.658   0.553
  201    HA   GLN  24           HA       GLN  24  -1.479  -9.850   2.425
  202   1HB   GLN  24          2HB       GLN  24  -0.512  -7.693   3.405
  203   2HB   GLN  24          1HB       GLN  24  -1.989  -6.900   2.891
  204   1HG   GLN  24          2HG       GLN  24  -2.158  -9.322   4.620
  205   2HG   GLN  24          1HG       GLN  24  -1.718  -7.773   5.334
  206   1HE2  GLN  24          1HE2      GLN  24  -4.237  -9.630   3.820
  207   2HE2  GLN  24          2HE2      GLN  24  -5.529  -8.547   4.194
  208    H    ALA  25           H        ALA  25  -2.782  -6.997   0.806
  209    HA   ALA  25           HA       ALA  25  -4.817  -7.944  -0.684
  210   1HB   ALA  25          1HB       ALA  25  -5.774  -9.076   1.282
  211   2HB   ALA  25          2HB       ALA  25  -6.859  -7.827   0.668
  212   3HB   ALA  25          3HB       ALA  25  -5.894  -7.525   2.113
  213    H    GLU  26           H        GLU  26  -3.094  -5.701  -0.522
  214    HA   GLU  26           HA       GLU  26  -4.838  -3.496   0.332
  215   1HB   GLU  26          2HB       GLU  26  -2.739  -2.147   0.418
  216   2HB   GLU  26          1HB       GLU  26  -2.805  -3.482   1.558
  217   1HG   GLU  26          2HG       GLU  26  -1.458  -3.848  -1.082
  218   2HG   GLU  26          1HG       GLU  26  -0.627  -3.000   0.221
  219    H    LEU  27           H        LEU  27  -5.312  -1.798  -0.913
  220    HA   LEU  27           HA       LEU  27  -4.768  -1.941  -3.756
  221   1HB   LEU  27          2HB       LEU  27  -6.147   0.250  -2.212
  222   2HB   LEU  27          1HB       LEU  27  -6.203  -0.003  -3.938
  223    HG   LEU  27           HG       LEU  27  -7.374  -1.898  -1.903
  224   1HD1  LEU  27          1HD1      LEU  27  -8.570   0.220  -1.901
  225   2HD1  LEU  27          2HD1      LEU  27  -9.542  -1.046  -2.647
  226   3HD1  LEU  27          3HD1      LEU  27  -8.724   0.145  -3.655
  227   1HD2  LEU  27          1HD2      LEU  27  -6.711  -2.986  -3.983
  228   2HD2  LEU  27          2HD2      LEU  27  -7.620  -1.785  -4.905
  229   3HD2  LEU  27          3HD2      LEU  27  -8.468  -2.907  -3.840
  230    H    VAL  28           H        VAL  28  -2.756  -1.378  -4.313
  231    HA   VAL  28           HA       VAL  28  -1.240   0.459  -2.689
  232    HB   VAL  28           HB       VAL  28  -0.493  -1.044  -5.197
  233   1HG1  VAL  28          1HG1      VAL  28   1.827  -0.445  -4.675
  234   2HG1  VAL  28          2HG1      VAL  28   1.271   0.547  -3.330
  235   3HG1  VAL  28          3HG1      VAL  28   0.855   0.994  -4.984
  236   1HG2  VAL  28          1HG2      VAL  28   0.188  -1.522  -2.295
  237   2HG2  VAL  28          2HG2      VAL  28   0.793  -2.459  -3.662
  238   3HG2  VAL  28          3HG2      VAL  28  -0.927  -2.480  -3.271
  239    H    CYS  29           H        CYS  29  -0.927   2.516  -3.018
  240    HA   CYS  29           HA       CYS  29  -1.872   3.764  -5.495
  241   1HB   CYS  29          2HB       CYS  29  -0.921   5.185  -3.005
  242   2HB   CYS  29          1HB       CYS  29  -1.968   5.804  -4.277
  243    HG   CYS  29           HG       CYS  29  -3.302   3.147  -2.809
  244    H    ASN  30           H        ASN  30  -0.280   3.709  -6.996
  245    HA   ASN  30           HA       ASN  30   2.450   3.447  -6.401
  246   1HB   ASN  30          2HB       ASN  30   1.154   4.381  -8.970
  247   2HB   ASN  30          1HB       ASN  30   2.840   3.905  -8.804
  248   1HD2  ASN  30          1HD2      ASN  30  -0.420   2.837  -9.059
  249   2HD2  ASN  30          2HD2      ASN  30  -0.085   1.141  -9.173
  250    H    ALA  31           H        ALA  31   0.477   6.300  -6.926
  251    HA   ALA  31           HA       ALA  31   2.722   8.055  -7.266
  252   1HB   ALA  31          1HB       ALA  31   1.088   9.850  -7.238
  253   2HB   ALA  31          2HB       ALA  31  -0.154   8.736  -6.665
  254   3HB   ALA  31          3HB       ALA  31   0.536   8.532  -8.274
  255    H    ASP  32           H        ASP  32   0.415   7.430  -4.653
  256    HA   ASP  32           HA       ASP  32   1.648   9.311  -2.869
  257   1HB   ASP  32          2HB       ASP  32  -0.393   7.167  -2.235
  258   2HB   ASP  32          1HB       ASP  32  -0.013   8.581  -1.259
  259    H    ARG  33           H        ARG  33   2.265   6.112  -3.734
  260    HA   ARG  33           HA       ARG  33   3.422   4.373  -2.884
  261   1HB   ARG  33          2HB       ARG  33   4.795   6.576  -1.336
  262   2HB   ARG  33          1HB       ARG  33   5.331   4.899  -1.342
  263   1HG   ARG  33          2HG       ARG  33   5.282   5.250  -3.955
  264   2HG   ARG  33          1HG       ARG  33   5.467   6.944  -3.495
  265   1HD   ARG  33          2HD       ARG  33   7.268   4.687  -2.624
  266   2HD   ARG  33          1HD       ARG  33   7.626   5.829  -3.916
  267    HE   ARG  33           HE       ARG  33   7.085   7.265  -1.566
  268   1HH1  ARG  33          1HH1      ARG  33   9.523   5.123  -2.890
  269   2HH1  ARG  33          2HH1      ARG  33  10.818   5.805  -1.961
  270   1HH2  ARG  33          1HH2      ARG  33   8.775   8.177  -0.355
  271   2HH2  ARG  33          2HH2      ARG  33  10.400   7.568  -0.530
  272    H    LEU  34           H        LEU  34   0.951   4.784  -1.849
  273    HA   LEU  34           HA       LEU  34   1.260   3.786   0.904
  274   1HB   LEU  34          2HB       LEU  34  -0.994   5.425  -0.263
  275   2HB   LEU  34          1HB       LEU  34  -1.044   4.663   1.314
  276    HG   LEU  34           HG       LEU  34   0.927   6.794   0.498
  277   1HD1  LEU  34          1HD1      LEU  34  -1.372   7.645   0.615
  278   2HD1  LEU  34          2HD1      LEU  34  -0.362   8.292   1.909
  279   3HD1  LEU  34          3HD1      LEU  34  -1.514   7.003   2.252
  280   1HD2  LEU  34          1HD2      LEU  34   1.815   5.322   2.206
  281   2HD2  LEU  34          2HD2      LEU  34   0.346   5.510   3.162
  282   3HD2  LEU  34          3HD2      LEU  34   1.416   6.888   2.910
  283    H    ALA  35           H        ALA  35  -0.890   2.537   1.485
  284    HA   ALA  35           HA       ALA  35  -2.015   1.076  -0.750
  285   1HB   ALA  35          1HB       ALA  35  -1.284  -1.097  -0.011
  286   2HB   ALA  35          2HB       ALA  35  -0.422  -0.384   1.351
  287   3HB   ALA  35          3HB       ALA  35   0.123  -0.074  -0.297
  288    H    PHE  36           H        PHE  36  -4.089   0.740  -0.326
  289    HA   PHE  36           HA       PHE  36  -5.037   0.924   2.440
  290   1HB   PHE  36          2HB       PHE  36  -6.527   0.975  -0.193
  291   2HB   PHE  36          1HB       PHE  36  -7.291   1.119   1.384
  292    HD1  PHE  36           2HD      PHE  36  -6.419   3.053   2.893
  293    HD2  PHE  36           1HD      PHE  36  -5.881   2.875  -1.323
  294    HE1  PHE  36           2HE      PHE  36  -6.067   5.486   2.841
  295    HE2  PHE  36           1HE      PHE  36  -5.531   5.312  -1.385
  296    HZ   PHE  36           HZ       PHE  36  -5.627   6.622   0.701
  297    HA   PRO  37           HA       PRO  37  -5.111  -3.573   2.078
  298   1HB   PRO  37          2HB       PRO  37  -5.374  -3.659   4.953
  299   2HB   PRO  37          1HB       PRO  37  -3.978  -4.094   3.964
  300   1HG   PRO  37          2HG       PRO  37  -4.039  -1.930   5.641
  301   2HG   PRO  37          1HG       PRO  37  -3.009  -2.036   4.205
  302   1HD   PRO  37          2HD       PRO  37  -5.619  -0.617   4.569
  303   2HD   PRO  37          1HD       PRO  37  -4.163  -0.100   3.690
  304    H    VAL  38           H        VAL  38  -6.821  -4.858   1.787
  305    HA   VAL  38           HA       VAL  38  -9.413  -4.077   2.830
  306    HB   VAL  38           HB       VAL  38  -8.659  -6.428   1.081
  307   1HG1  VAL  38          1HG1      VAL  38 -11.371  -5.293   1.777
  308   2HG1  VAL  38          2HG1      VAL  38 -10.720  -6.840   2.324
  309   3HG1  VAL  38          3HG1      VAL  38 -11.065  -6.582   0.613
  310   1HG2  VAL  38          1HG2      VAL  38  -8.239  -4.298  -0.030
  311   2HG2  VAL  38          2HG2      VAL  38  -9.874  -3.757   0.361
  312   3HG2  VAL  38          3HG2      VAL  38  -9.635  -5.111  -0.745
  313    H    ARG  39           H        ARG  39 -10.100  -4.718   4.723
  314    HA   ARG  39           HA       ARG  39  -8.984  -7.147   5.933
  315   1HB   ARG  39          2HB       ARG  39  -8.736  -5.156   7.286
  316   2HB   ARG  39          1HB       ARG  39 -10.445  -4.785   7.131
  317   1HG   ARG  39          2HG       ARG  39 -10.981  -6.811   8.416
  318   2HG   ARG  39          1HG       ARG  39  -9.253  -7.128   8.600
  319   1HD   ARG  39          2HD       ARG  39  -8.937  -5.139   9.859
  320   2HD   ARG  39          1HD       ARG  39 -10.559  -4.566   9.478
  321    HE   ARG  39           HE       ARG  39 -10.376  -7.064  10.966
  322   1HH1  ARG  39          1HH1      ARG  39 -10.831  -3.595  11.025
  323   2HH1  ARG  39          2HH1      ARG  39 -11.632  -3.587  12.563
  324   1HH2  ARG  39          1HH2      ARG  39 -11.446  -7.063  13.003
  325   2HH2  ARG  39          2HH2      ARG  39 -11.989  -5.560  13.690
  326    H    ASP  40           H        ASP  40 -10.205  -8.671   4.879
  327    HA   ASP  40           HA       ASP  40 -11.978  -9.964   4.309
  328   1HB   ASP  40          2HB       ASP  40 -11.636 -10.389   6.770
  329   2HB   ASP  40          1HB       ASP  40 -12.976  -9.289   7.076
  330    H    GLY  41           H        GLY  41 -12.592  -8.169   2.807
  331   1HA   GLY  41          2HA       GLY  41 -14.537  -7.509   1.679
  332   2HA   GLY  41          1HA       GLY  41 -15.440  -7.705   3.172
  333    H    VAL  42           H        VAL  42 -13.401  -6.042   4.634
  334    HA   VAL  42           HA       VAL  42 -14.537  -3.461   3.807
  335    HB   VAL  42           HB       VAL  42 -13.220  -4.167   6.438
  336   1HG1  VAL  42          1HG1      VAL  42 -14.221  -2.069   7.231
  337   2HG1  VAL  42          2HG1      VAL  42 -14.810  -1.743   5.601
  338   3HG1  VAL  42          3HG1      VAL  42 -13.075  -1.796   5.917
  339   1HG2  VAL  42          1HG2      VAL  42 -15.257  -5.435   6.208
  340   2HG2  VAL  42          2HG2      VAL  42 -16.137  -3.999   5.695
  341   3HG2  VAL  42          3HG2      VAL  42 -15.531  -4.115   7.346
  342    HA   PRO  43           HA       PRO  43 -10.276  -2.569   2.455
  343   1HB   PRO  43          2HB       PRO  43 -11.552  -0.299   1.118
  344   2HB   PRO  43          1HB       PRO  43 -10.638  -1.635   0.414
  345   1HG   PRO  43          2HG       PRO  43 -13.307  -1.371   0.076
  346   2HG   PRO  43          1HG       PRO  43 -12.502  -2.950   0.147
  347   1HD   PRO  43          2HD       PRO  43 -14.039  -1.507   2.280
  348   2HD   PRO  43          1HD       PRO  43 -14.060  -3.231   1.847
  349    H    ILE  44           H        ILE  44  -9.084  -1.605   3.982
  350    HA   ILE  44           HA       ILE  44 -10.189   0.436   5.659
  351    HB   ILE  44           HB       ILE  44  -7.349  -0.583   5.516
  352   1HG1  ILE  44          2HG1      ILE  44  -8.901  -2.380   6.064
  353   2HG1  ILE  44          1HG1      ILE  44  -7.975  -1.933   7.494
  354   1HG2  ILE  44          1HG2      ILE  44  -8.740   0.996   7.674
  355   2HG2  ILE  44          2HG2      ILE  44  -7.504   1.610   6.576
  356   3HG2  ILE  44          3HG2      ILE  44  -7.096   0.362   7.750
  357   1HD1  ILE  44          1HD1      ILE  44 -10.318  -2.337   8.019
  358   2HD1  ILE  44          2HD1      ILE  44 -10.795  -1.066   6.891
  359   3HD1  ILE  44          3HD1      ILE  44  -9.867  -0.662   8.335
  360    H    MET  45           H        MET  45 -10.669   2.124   4.289
  361    HA   MET  45           HA       MET  45  -8.560   3.431   2.792
  362   1HB   MET  45          2HB       MET  45 -11.459   4.163   3.250
  363   2HB   MET  45          1HB       MET  45 -10.365   5.044   2.195
  364   1HG   MET  45          2HG       MET  45 -11.102   2.147   1.849
  365   2HG   MET  45          1HG       MET  45 -11.881   3.484   1.010
  366   1HE   MET  45          1HE       MET  45 -10.615   5.073  -0.739
  367   2HE   MET  45          2HE       MET  45  -8.908   4.896  -1.147
  368   3HE   MET  45          3HE       MET  45  -9.376   5.420   0.468
  369    H    LEU  46           H        LEU  46  -8.656   3.212   5.819
  370    HA   LEU  46           HA       LEU  46  -8.890   5.948   6.706
  371   1HB   LEU  46          2HB       LEU  46  -7.895   3.467   8.118
  372   2HB   LEU  46          1HB       LEU  46  -8.109   5.034   8.879
  373    HG   LEU  46           HG       LEU  46 -10.338   3.427   7.624
  374   1HD1  LEU  46          1HD1      LEU  46  -9.428   2.312   9.598
  375   2HD1  LEU  46          2HD1      LEU  46 -11.042   2.952   9.901
  376   3HD1  LEU  46          3HD1      LEU  46  -9.627   3.797  10.527
  377   1HD2  LEU  46          1HD2      LEU  46 -10.732   5.836   7.614
  378   2HD2  LEU  46          2HD2      LEU  46 -10.379   5.907   9.339
  379   3HD2  LEU  46          3HD2      LEU  46 -11.793   5.026   8.764
  380    H    GLU  47           H        GLU  47  -7.329   7.394   6.579
  381    HA   GLU  47           HA       GLU  47  -4.985   6.814   5.134
  382   1HB   GLU  47          2HB       GLU  47  -6.306   8.983   5.238
  383   2HB   GLU  47          1HB       GLU  47  -5.483   9.299   6.757
  384   1HG   GLU  47          2HG       GLU  47  -3.326   9.199   5.594
  385   2HG   GLU  47          1HG       GLU  47  -4.175   8.928   4.073
  386    H    ALA  48           H        ALA  48  -5.619   6.927   8.558
  387    HA   ALA  48           HA       ALA  48  -2.759   7.051   9.157
  388   1HB   ALA  48          1HB       ALA  48  -3.396   7.363  11.462
  389   2HB   ALA  48          2HB       ALA  48  -5.086   7.037  11.068
  390   3HB   ALA  48          3HB       ALA  48  -4.294   8.482  10.435
  391    H    GLU  49           H        GLU  49  -4.876   4.671   8.369
  392    HA   GLU  49           HA       GLU  49  -3.317   2.715   9.927
  393   1HB   GLU  49          2HB       GLU  49  -6.250   2.599   9.220
  394   2HB   GLU  49          1HB       GLU  49  -5.337   1.197   9.764
  395   1HG   GLU  49          2HG       GLU  49  -4.766   2.479  11.830
  396   2HG   GLU  49          1HG       GLU  49  -5.894   3.723  11.290
  397    H    ALA  50           H        ALA  50  -3.599   3.982   7.024
  398    HA   ALA  50           HA       ALA  50  -3.720   1.622   5.391
  399   1HB   ALA  50          1HB       ALA  50  -2.824   4.423   4.716
  400   2HB   ALA  50          2HB       ALA  50  -4.451   3.770   4.495
  401   3HB   ALA  50          3HB       ALA  50  -3.104   3.125   3.555
  402    H    ARG  51           H        ARG  51  -2.015   0.549   4.415
  403    HA   ARG  51           HA       ARG  51   0.475   0.551   5.811
  404   1HB   ARG  51          2HB       ARG  51  -0.378  -1.510   4.840
  405   2HB   ARG  51          1HB       ARG  51  -0.379  -0.795   3.236
  406   1HG   ARG  51          2HG       ARG  51   2.075  -0.600   3.355
  407   2HG   ARG  51          1HG       ARG  51   2.039  -1.400   4.923
  408   1HD   ARG  51          2HD       ARG  51   1.116  -3.401   3.919
  409   2HD   ARG  51          1HD       ARG  51   1.011  -2.598   2.352
  410    HE   ARG  51           HE       ARG  51   3.678  -2.554   3.362
  411   1HH1  ARG  51          1HH1      ARG  51   1.332  -4.708   1.845
  412   2HH1  ARG  51          2HH1      ARG  51   2.564  -5.669   1.083
  413   1HH2  ARG  51          1HH2      ARG  51   5.258  -3.799   2.358
  414   2HH2  ARG  51          2HH2      ARG  51   4.797  -5.153   1.366
  415    H    SER  52           H        SER  52   2.293   1.681   5.365
  416    HA   SER  52           HA       SER  52   2.242   3.331   2.958
  417   1HB   SER  52          2HB       SER  52   2.490   4.608   4.909
  418   2HB   SER  52          1HB       SER  52   3.778   3.586   5.520
  419    HG   SER  52           HG       SER  52   4.053   5.772   4.153
  420    H    LEU  53           H        LEU  53   3.776   3.362   1.530
  421    HA   LEU  53           HA       LEU  53   5.876   1.297   1.703
  422   1HB   LEU  53          2HB       LEU  53   4.625   2.547  -0.753
  423   2HB   LEU  53          1HB       LEU  53   5.944   1.393  -0.773
  424    HG   LEU  53           HG       LEU  53   3.148   0.842   0.223
  425   1HD1  LEU  53          1HD1      LEU  53   3.265   1.101  -2.201
  426   2HD1  LEU  53          2HD1      LEU  53   2.957  -0.575  -1.752
  427   3HD1  LEU  53          3HD1      LEU  53   4.568  -0.083  -2.272
  428   1HD2  LEU  53          1HD2      LEU  53   4.836  -0.448   1.439
  429   2HD2  LEU  53          2HD2      LEU  53   5.515  -1.010  -0.089
  430   3HD2  LEU  53          3HD2      LEU  53   3.881  -1.484   0.378
  431    H    ASP  54           H        ASP  54   5.180   4.549   1.766
  432    HA   ASP  54           HA       ASP  54   7.671   5.561   0.739
  433   1HB   ASP  54          2HB       ASP  54   5.523   6.879   0.821
  434   2HB   ASP  54          1HB       ASP  54   5.677   6.932   2.572
  435    H    ALA  55           H        ALA  55   6.374   4.434   3.745
  436    HA   ALA  55           HA       ALA  55   8.795   5.194   5.199
  437   1HB   ALA  55          1HB       ALA  55   6.279   3.889   6.212
  438   2HB   ALA  55          2HB       ALA  55   6.594   5.622   6.206
  439   3HB   ALA  55          3HB       ALA  55   7.589   4.552   7.193
  440    H    GLU  56           H        GLU  56   7.596   2.582   3.448
  441    HA   GLU  56           HA       GLU  56   8.881   0.554   5.102
  442   1HB   GLU  56          2HB       GLU  56   6.623   0.398   3.643
  443   2HB   GLU  56          1HB       GLU  56   7.776  -0.156   2.433
  444   1HG   GLU  56          2HG       GLU  56   8.589  -1.835   4.101
  445   2HG   GLU  56          1HG       GLU  56   7.256  -1.352   5.145
  446    H    ALA  57           H        ALA  57   9.668  -1.149   2.920
  447    HA   ALA  57           HA       ALA  57  11.511  -1.691   1.726
  448   1HB   ALA  57          1HB       ALA  57  12.689  -0.011   0.428
  449   2HB   ALA  57          2HB       ALA  57  11.891   1.278   1.330
  450   3HB   ALA  57          3HB       ALA  57  10.945   0.217   0.288
  451    HA   PRO  58           HA       PRO  58  14.883  -1.796   4.528
  452   1HB   PRO  58          2HB       PRO  58  16.802  -1.107   2.378
  453   2HB   PRO  58          1HB       PRO  58  16.759  -2.516   3.443
  454   1HG   PRO  58          2HG       PRO  58  16.054  -2.715   0.879
  455   2HG   PRO  58          1HG       PRO  58  15.198  -3.618   2.140
  456   1HD   PRO  58          2HD       PRO  58  14.368  -1.137   0.689
  457   2HD   PRO  58          1HD       PRO  58  13.388  -2.527   1.203
  458    H    ALA  59           H        ALA  59  14.432   0.034   5.754
  459    HA   ALA  59           HA       ALA  59  15.366   2.641   5.007
  460   1HB   ALA  59          1HB       ALA  59  14.404   1.597   7.671
  461   2HB   ALA  59          2HB       ALA  59  13.406   2.370   6.442
  462   3HB   ALA  59          3HB       ALA  59  14.666   3.292   7.263
  463    H    GLN  60           H        GLN  60  17.048   3.817   6.066
  464    HA   GLN  60           HA       GLN  60  19.328   2.109   6.663
  465   1HB   GLN  60          2HB       GLN  60  19.210   5.116   6.400
  466   2HB   GLN  60          1HB       GLN  60  20.658   4.123   6.416
  467   1HG   GLN  60          2HG       GLN  60  18.525   4.111   4.294
  468   2HG   GLN  60          1HG       GLN  60  20.115   4.857   4.167
  469   1HE2  GLN  60          1HE2      GLN  60  18.322   1.898   4.108
  470   2HE2  GLN  60          2HE2      GLN  60  19.615   0.893   3.555
  471    HA   PRO  61           HA       PRO  61  18.466   2.922  10.996
  472   1HB   PRO  61          2HB       PRO  61  20.370   0.864  11.642
  473   2HB   PRO  61          1HB       PRO  61  18.610   0.790  11.743
  474   1HG   PRO  61          2HG       PRO  61  20.121  -0.660   9.963
  475   2HG   PRO  61          1HG       PRO  61  18.419  -0.235   9.714
  476   1HD   PRO  61          2HD       PRO  61  20.880   1.044   8.590
  477   2HD   PRO  61          1HD       PRO  61  19.314   0.729   7.809
  478    H    SER  62           H        SER  62  19.410   4.452  12.177
  479    HA   SER  62           HA       SER  62  21.952   5.513  11.648
  480   1HB   SER  62          2HB       SER  62  20.367   5.735  14.219
  481   2HB   SER  62          1HB       SER  62  21.609   6.851  13.651
  482    HG   SER  62           HG       SER  62  19.007   6.408  12.634
  483    H    LEU  63           H        LEU  63  23.938   4.862  12.242
  484    HA   LEU  63           HA       LEU  63  24.240   2.444  13.740
  485   1HB   LEU  63          2HB       LEU  63  25.629   3.306  11.736
  486   2HB   LEU  63          1HB       LEU  63  26.492   4.264  12.924
  487    HG   LEU  63           HG       LEU  63  26.244   1.273  13.170
  488   1HD1  LEU  63          1HD1      LEU  63  27.248   1.709  11.017
  489   2HD1  LEU  63          2HD1      LEU  63  28.474   1.136  12.148
  490   3HD1  LEU  63          3HD1      LEU  63  28.379   2.851  11.747
  491   1HD2  LEU  63          1HD2      LEU  63  28.246   1.509  14.539
  492   2HD2  LEU  63          2HD2      LEU  63  26.927   2.489  15.176
  493   3HD2  LEU  63          3HD2      LEU  63  28.235   3.250  14.271
  494    H    GLU  64           H        GLU  64  23.530   2.823  15.782
  495    HA   GLU  64           HA       GLU  64  24.763   4.853  17.439
  496   1HB   GLU  64          2HB       GLU  64  22.311   3.662  17.478
  497   2HB   GLU  64          1HB       GLU  64  23.156   2.675  18.657
  498   1HG   GLU  64          2HG       GLU  64  23.001   5.675  18.800
  499   2HG   GLU  64          1HG       GLU  64  21.852   4.597  19.585
  500    H    HIS  65           H        HIS  65  25.798   4.111  19.539
  501    HA   HIS  65           HA       HIS  65  27.839   2.167  18.982
  502   1HB   HIS  65          2HB       HIS  65  27.171   3.350  21.687
  503   2HB   HIS  65          1HB       HIS  65  28.706   2.665  21.169
  504    HD1  HIS  65           1HD      HIS  65  30.014   4.124  19.276
  505    HD2  HIS  65           2HD      HIS  65  26.937   6.029  21.336
  506    HE1  HIS  65           1HE      HIS  65  30.368   6.590  18.910
  507    HE2  HIS  65           2HE      HIS  65  28.553   7.726  20.251
  508    H    HIS  66           H        HIS  66  26.720   0.261  18.570
  509    HA   HIS  66           HA       HIS  66  25.341  -0.940  20.870
  510   1HB   HIS  66          2HB       HIS  66  24.319  -0.396  18.160
  511   2HB   HIS  66          1HB       HIS  66  24.005  -2.022  18.755
  512    HD1  HIS  66           1HD      HIS  66  21.603  -1.948  19.348
  513    HD2  HIS  66           2HD      HIS  66  23.696   1.323  20.846
  514    HE1  HIS  66           1HE      HIS  66  19.974  -0.707  20.810
  515    HE2  HIS  66           2HE      HIS  66  21.323   1.139  21.868
  516    H    HIS  67           H        HIS  67  24.918  -3.312  20.434
  517    HA   HIS  67           HA       HIS  67  27.389  -4.633  19.807
  518   1HB   HIS  67          2HB       HIS  67  25.361  -5.165  21.522
  519   2HB   HIS  67          1HB       HIS  67  24.877  -6.182  20.172
  520    HD1  HIS  67           1HD      HIS  67  27.762  -5.688  22.576
  521    HD2  HIS  67           2HD      HIS  67  26.200  -8.557  20.005
  522    HE1  HIS  67           1HE      HIS  67  29.072  -7.788  23.023
  523    HE2  HIS  67           2HE      HIS  67  27.889  -9.563  21.674
  524    H    HIS  68           H        HIS  68  27.923  -5.530  17.873
  525    HA   HIS  68           HA       HIS  68  26.338  -4.847  15.615
  526   1HB   HIS  68          2HB       HIS  68  28.916  -6.334  15.968
  527   2HB   HIS  68          1HB       HIS  68  28.115  -6.321  14.402
  528    HD1  HIS  68           1HD      HIS  68  29.905  -4.086  16.824
  529    HD2  HIS  68           2HD      HIS  68  28.234  -3.899  13.018
  530    HE1  HIS  68           1HE      HIS  68  30.701  -1.913  15.838
  531    HE2  HIS  68           2HE      HIS  68  29.813  -1.894  13.479
  532    H    HIS  69           H        HIS  69  26.582  -7.738  17.524
  533    HA   HIS  69           HA       HIS  69  24.426  -8.836  15.869
  534   1HB   HIS  69          2HB       HIS  69  25.277 -11.110  16.082
  535   2HB   HIS  69          1HB       HIS  69  26.456 -10.092  15.271
  536    HD1  HIS  69           1HD      HIS  69  25.966 -12.230  18.255
  537    HD2  HIS  69           2HD      HIS  69  28.814  -9.574  16.786
  538    HE1  HIS  69           1HE      HIS  69  28.025 -12.598  19.654
  539    HE2  HIS  69           2HE      HIS  69  29.758 -11.032  18.706
  540    H    HIS  70           H        HIS  70  23.517 -10.888  17.226
  541    HA   HIS  70           HA       HIS  70  22.822  -9.725  19.812
  542   1HB   HIS  70          2HB       HIS  70  21.652 -12.072  18.300
  543   2HB   HIS  70          1HB       HIS  70  21.092 -11.534  19.881
  544    HD1  HIS  70           1HD      HIS  70  20.410 -11.127  16.384
  545    HD2  HIS  70           2HD      HIS  70  20.149  -8.698  19.750
  546    HE1  HIS  70           1HE      HIS  70  18.878  -9.241  15.740
  547    HE2  HIS  70           2HE      HIS  70  18.574  -7.901  17.852
  Start of MODEL    8
    1   1H    MET   1          1H        MET   1 -21.827  -3.618 -11.368
    2   2H    MET   1          2H        MET   1 -21.093  -4.438 -12.659
    3   3H    MET   1          3H        MET   1 -21.855  -2.951 -12.927
    4    HA   MET   1           HA       MET   1 -19.485  -2.671 -12.914
    5   1HB   MET   1          2HB       MET   1 -20.786  -1.548 -10.421
    6   2HB   MET   1          1HB       MET   1 -19.296  -0.955 -11.140
    7   1HG   MET   1          2HG       MET   1 -20.905   0.538 -11.877
    8   2HG   MET   1          1HG       MET   1 -20.689  -0.554 -13.243
    9   1HE   MET   1          1HE       MET   1 -24.287  -0.594 -10.354
   10   2HE   MET   1          2HE       MET   1 -23.000   0.608 -10.340
   11   3HE   MET   1          3HE       MET   1 -22.655  -1.051  -9.854
   12    H    GLU   2           H        GLU   2 -20.002  -5.342 -11.613
   13    HA   GLU   2           HA       GLU   2 -17.924  -5.195  -9.534
   14   1HB   GLU   2          2HB       GLU   2 -20.135  -6.134  -8.836
   15   2HB   GLU   2          1HB       GLU   2 -19.908  -7.429 -10.004
   16   1HG   GLU   2          2HG       GLU   2 -17.955  -8.207  -8.822
   17   2HG   GLU   2          1HG       GLU   2 -18.060  -6.853  -7.699
   18    H    SER   3           H        SER   3 -16.030  -5.511 -10.457
   19    HA   SER   3           HA       SER   3 -15.684  -7.022 -12.850
   20   1HB   SER   3          2HB       SER   3 -14.273  -5.078 -12.341
   21   2HB   SER   3          1HB       SER   3 -13.637  -5.897 -10.917
   22    HG   SER   3           HG       SER   3 -13.373  -6.870 -13.583
   23    H    ARG   4           H        ARG   4 -14.347  -8.854 -13.123
   24    HA   ARG   4           HA       ARG   4 -14.238 -10.628 -10.773
   25   1HB   ARG   4          2HB       ARG   4 -14.348 -11.292 -13.723
   26   2HB   ARG   4          1HB       ARG   4 -14.153 -12.482 -12.441
   27   1HG   ARG   4          2HG       ARG   4 -16.487 -10.619 -12.419
   28   2HG   ARG   4          1HG       ARG   4 -16.498 -12.051 -13.448
   29   1HD   ARG   4          2HD       ARG   4 -17.576 -12.398 -11.243
   30   2HD   ARG   4          1HD       ARG   4 -16.232 -13.490 -11.550
   31    HE   ARG   4           HE       ARG   4 -15.167 -11.362 -10.154
   32   1HH1  ARG   4          1HH1      ARG   4 -17.726 -13.680  -9.583
   33   2HH1  ARG   4          2HH1      ARG   4 -17.414 -13.797  -7.875
   34   1HH2  ARG   4          1HH2      ARG   4 -14.742 -11.508  -7.929
   35   2HH2  ARG   4          2HH2      ARG   4 -15.689 -12.580  -6.934
   36    H    LEU   5           H        LEU   5 -12.368  -8.509 -11.955
   37    HA   LEU   5           HA       LEU   5  -9.956 -10.201 -12.098
   38   1HB   LEU   5          2HB       LEU   5 -10.501  -9.060 -14.230
   39   2HB   LEU   5          1HB       LEU   5 -10.409  -7.515 -13.407
   40    HG   LEU   5           HG       LEU   5  -8.014  -7.959 -12.924
   41   1HD1  LEU   5          1HD1      LEU   5  -8.432 -10.349 -14.710
   42   2HD1  LEU   5          2HD1      LEU   5  -8.074 -10.389 -12.983
   43   3HD1  LEU   5          3HD1      LEU   5  -6.878  -9.758 -14.116
   44   1HD2  LEU   5          1HD2      LEU   5  -8.805  -8.061 -15.833
   45   2HD2  LEU   5          2HD2      LEU   5  -7.228  -7.572 -15.213
   46   3HD2  LEU   5          3HD2      LEU   5  -8.659  -6.609 -14.842
   47    H    LEU   6           H        LEU   6 -10.987  -6.870 -11.355
   48    HA   LEU   6           HA       LEU   6 -10.411  -5.396  -9.732
   49   1HB   LEU   6          2HB       LEU   6 -10.010  -8.005  -8.353
   50   2HB   LEU   6          1HB       LEU   6  -9.401  -6.560  -7.572
   51    HG   LEU   6           HG       LEU   6 -11.596  -7.116  -6.718
   52   1HD1  LEU   6          1HD1      LEU   6 -12.728  -4.988  -7.114
   53   2HD1  LEU   6          2HD1      LEU   6 -11.657  -4.671  -8.479
   54   3HD1  LEU   6          3HD1      LEU   6 -10.998  -4.766  -6.845
   55   1HD2  LEU   6          1HD2      LEU   6 -12.472  -8.324  -8.635
   56   2HD2  LEU   6          2HD2      LEU   6 -12.553  -6.822  -9.559
   57   3HD2  LEU   6          3HD2      LEU   6 -13.578  -7.041  -8.140
   58    H    ASP   7           H        ASP   7  -8.297  -6.662 -11.626
   59    HA   ASP   7           HA       ASP   7  -5.829  -6.051 -10.244
   60   1HB   ASP   7          2HB       ASP   7  -5.932  -7.869 -11.915
   61   2HB   ASP   7          1HB       ASP   7  -6.360  -6.698 -13.156
   62    H    ILE   8           H        ILE   8  -8.214  -4.253 -11.496
   63    HA   ILE   8           HA       ILE   8  -6.642  -2.266 -12.905
   64    HB   ILE   8           HB       ILE   8  -8.817  -1.120 -13.229
   65   1HG1  ILE   8          2HG1      ILE   8  -9.943  -3.521 -11.761
   66   2HG1  ILE   8          1HG1      ILE   8  -9.873  -1.885 -11.114
   67   1HG2  ILE   8          1HG2      ILE   8  -8.013  -2.772 -14.846
   68   2HG2  ILE   8          2HG2      ILE   8  -9.774  -2.786 -14.732
   69   3HG2  ILE   8          3HG2      ILE   8  -8.829  -4.050 -13.944
   70   1HD1  ILE   8          1HD1      ILE   8 -12.096  -2.399 -11.909
   71   2HD1  ILE   8          2HD1      ILE   8 -11.462  -2.791 -13.509
   72   3HD1  ILE   8          3HD1      ILE   8 -11.373  -1.136 -12.905
   73    H    LEU   9           H        LEU   9  -6.635  -2.852  -9.844
   74    HA   LEU   9           HA       LEU   9  -7.593  -0.429  -8.657
   75   1HB   LEU   9          2HB       LEU   9  -5.736  -2.549  -7.572
   76   2HB   LEU   9          1HB       LEU   9  -6.419  -1.237  -6.630
   77    HG   LEU   9           HG       LEU   9  -8.009  -3.418  -7.982
   78   1HD1  LEU   9          1HD1      LEU   9  -6.707  -4.259  -6.101
   79   2HD1  LEU   9          2HD1      LEU   9  -8.429  -4.227  -5.722
   80   3HD1  LEU   9          3HD1      LEU   9  -7.361  -2.985  -5.071
   81   1HD2  LEU   9          1HD2      LEU   9  -9.901  -2.518  -6.739
   82   2HD2  LEU   9          2HD2      LEU   9  -9.227  -1.304  -7.824
   83   3HD2  LEU   9          3HD2      LEU   9  -8.881  -1.232  -6.098
   84    H    VAL  10           H        VAL  10  -6.647   1.346  -9.508
   85    HA   VAL  10           HA       VAL  10  -3.731   1.479  -9.647
   86    HB   VAL  10           HB       VAL  10  -4.067   3.574 -10.913
   87   1HG1  VAL  10          1HG1      VAL  10  -3.895   1.444 -12.092
   88   2HG1  VAL  10          2HG1      VAL  10  -4.965   2.561 -12.937
   89   3HG1  VAL  10          3HG1      VAL  10  -5.644   1.241 -11.987
   90   1HG2  VAL  10          1HG2      VAL  10  -6.321   4.187 -11.675
   91   2HG2  VAL  10          2HG2      VAL  10  -6.165   4.307  -9.923
   92   3HG2  VAL  10          3HG2      VAL  10  -7.004   2.931 -10.641
   93    H    CYS  11           H        CYS  11  -2.579   3.261  -8.774
   94    HA   CYS  11           HA       CYS  11  -3.356   4.105  -6.211
   95   1HB   CYS  11          2HB       CYS  11  -1.015   3.997  -6.829
   96   2HB   CYS  11          1HB       CYS  11  -1.255   5.184  -8.107
   97    HG   CYS  11           HG       CYS  11  -0.277   5.712  -5.084
   98    HA   PRO  12           HA       PRO  12  -6.244   7.297  -7.350
   99   1HB   PRO  12          2HB       PRO  12  -6.232   8.597  -4.916
  100   2HB   PRO  12          1HB       PRO  12  -7.216   7.182  -5.295
  101   1HG   PRO  12          2HG       PRO  12  -4.620   7.349  -3.831
  102   2HG   PRO  12          1HG       PRO  12  -6.034   6.330  -3.501
  103   1HD   PRO  12          2HD       PRO  12  -3.827   5.356  -4.696
  104   2HD   PRO  12          1HD       PRO  12  -5.453   4.781  -5.115
  105    H    VAL  13           H        VAL  13  -3.050   7.848  -6.081
  106    HA   VAL  13           HA       VAL  13  -3.142  10.691  -6.629
  107    HB   VAL  13           HB       VAL  13  -0.773   9.027  -5.760
  108   1HG1  VAL  13          1HG1      VAL  13  -1.258  12.000  -5.729
  109   2HG1  VAL  13          2HG1      VAL  13  -0.091  11.123  -6.722
  110   3HG1  VAL  13          3HG1      VAL  13   0.117  11.193  -4.971
  111   1HG2  VAL  13          1HG2      VAL  13  -2.567   8.841  -4.131
  112   2HG2  VAL  13          2HG2      VAL  13  -2.725  10.598  -4.081
  113   3HG2  VAL  13          3HG2      VAL  13  -1.251   9.825  -3.490
  114    H    CYS  14           H        CYS  14  -0.767   8.187  -7.606
  115    HA   CYS  14           HA       CYS  14  -0.192   9.834  -9.945
  116   1HB   CYS  14          2HB       CYS  14   1.317   7.472  -8.820
  117   2HB   CYS  14          1HB       CYS  14   1.853   8.500 -10.145
  118    HG   CYS  14           HG       CYS  14   1.786  10.828  -8.381
  119    H    LYS  15           H        LYS  15  -2.214   7.351  -9.345
  120    HA   LYS  15           HA       LYS  15  -3.357   5.857 -10.596
  121   1HB   LYS  15          2HB       LYS  15  -2.170   7.337 -12.948
  122   2HB   LYS  15          1HB       LYS  15  -3.587   6.295 -12.976
  123   1HG   LYS  15          2HG       LYS  15  -3.397   8.807 -11.333
  124   2HG   LYS  15          1HG       LYS  15  -4.063   8.749 -12.959
  125   1HD   LYS  15          2HD       LYS  15  -5.758   7.151 -12.210
  126   2HD   LYS  15          1HD       LYS  15  -5.082   7.200 -10.581
  127   1HE   LYS  15          2HE       LYS  15  -5.608   9.568 -10.413
  128   2HE   LYS  15          1HE       LYS  15  -6.222   9.568 -12.063
  129   1HZ   LYS  15          1HZ       LYS  15  -7.961   9.437 -10.317
  130   2HZ   LYS  15          2HZ       LYS  15  -7.366   7.911  -9.879
  131   3HZ   LYS  15          3HZ       LYS  15  -8.012   8.153 -11.428
  132    H    GLY  16           H        GLY  16  -0.319   5.475 -10.068
  133   1HA   GLY  16          2HA       GLY  16   0.462   3.783 -12.300
  134   2HA   GLY  16          1HA       GLY  16   1.453   4.236 -10.933
  135    H    ARG  17           H        ARG  17  -1.715   2.879 -10.701
  136    HA   ARG  17           HA       ARG  17  -2.566   0.942  -9.865
  137   1HB   ARG  17          2HB       ARG  17  -1.067  -0.073 -11.614
  138   2HB   ARG  17          1HB       ARG  17   0.159  -0.270 -10.372
  139   1HG   ARG  17          2HG       ARG  17  -1.370  -1.725  -9.116
  140   2HG   ARG  17          1HG       ARG  17  -2.568  -1.555 -10.400
  141   1HD   ARG  17          2HD       ARG  17  -1.402  -3.624 -10.718
  142   2HD   ARG  17          1HD       ARG  17  -0.912  -2.507 -11.989
  143    HE   ARG  17           HE       ARG  17   0.759  -2.880  -9.595
  144   1HH1  ARG  17          1HH1      ARG  17   0.359  -2.932 -13.074
  145   2HH1  ARG  17          2HH1      ARG  17   2.034  -3.302 -13.383
  146   1HH2  ARG  17          1HH2      ARG  17   2.972  -3.346 -10.007
  147   2HH2  ARG  17          2HH2      ARG  17   3.503  -3.520 -11.655
  148    H    LEU  18           H        LEU  18  -2.506  -0.468  -7.962
  149    HA   LEU  18           HA       LEU  18  -0.601   0.469  -5.914
  150   1HB   LEU  18          2HB       LEU  18  -3.486  -0.369  -5.667
  151   2HB   LEU  18          1HB       LEU  18  -2.412  -0.290  -4.282
  152    HG   LEU  18           HG       LEU  18  -3.067   2.052  -6.072
  153   1HD1  LEU  18          1HD1      LEU  18  -5.032   1.309  -4.829
  154   2HD1  LEU  18          2HD1      LEU  18  -4.434   2.853  -4.222
  155   3HD1  LEU  18          3HD1      LEU  18  -4.110   1.369  -3.328
  156   1HD2  LEU  18          1HD2      LEU  18  -1.633   1.904  -3.421
  157   2HD2  LEU  18          2HD2      LEU  18  -2.012   3.379  -4.313
  158   3HD2  LEU  18          3HD2      LEU  18  -0.880   2.205  -4.987
  159    H    GLU  19           H        GLU  19  -0.208  -1.192  -4.176
  160    HA   GLU  19           HA       GLU  19   0.014  -3.840  -5.435
  161   1HB   GLU  19          2HB       GLU  19   1.761  -2.539  -3.341
  162   2HB   GLU  19          1HB       GLU  19   1.921  -4.199  -3.887
  163   1HG   GLU  19          2HG       GLU  19   2.218  -3.233  -6.221
  164   2HG   GLU  19          1HG       GLU  19   2.434  -1.680  -5.413
  165    H    PHE  20           H        PHE  20  -1.079  -5.446  -4.543
  166    HA   PHE  20           HA       PHE  20  -2.456  -5.092  -2.046
  167   1HB   PHE  20          2HB       PHE  20  -3.492  -6.328  -3.925
  168   2HB   PHE  20          1HB       PHE  20  -2.228  -7.546  -3.807
  169    HD1  PHE  20           1HD      PHE  20  -4.996  -5.969  -1.896
  170    HD2  PHE  20           2HD      PHE  20  -2.477  -9.375  -2.386
  171    HE1  PHE  20           1HE      PHE  20  -6.352  -7.206  -0.261
  172    HE2  PHE  20           2HE      PHE  20  -3.829 -10.614  -0.745
  173    HZ   PHE  20           HZ       PHE  20  -5.769  -9.528   0.319
  174    H    GLN  21           H        GLN  21  -1.100  -5.020  -0.355
  175    HA   GLN  21           HA       GLN  21   0.888  -7.158  -0.081
  176   1HB   GLN  21          2HB       GLN  21   0.654  -4.445   1.221
  177   2HB   GLN  21          1HB       GLN  21   1.838  -5.646   1.700
  178   1HG   GLN  21          2HG       GLN  21   2.660  -5.658  -0.669
  179   2HG   GLN  21          1HG       GLN  21   1.616  -4.268  -0.954
  180   1HE2  GLN  21          1HE2      GLN  21   3.393  -2.974  -1.445
  181   2HE2  GLN  21          2HE2      GLN  21   4.457  -2.388  -0.219
  182    H    ARG  22           H        ARG  22   1.183  -8.035   2.145
  183    HA   ARG  22           HA       ARG  22  -1.467  -8.270   3.404
  184   1HB   ARG  22          2HB       ARG  22   0.473 -10.553   3.061
  185   2HB   ARG  22          1HB       ARG  22  -1.183 -10.636   3.643
  186   1HG   ARG  22          2HG       ARG  22  -1.981  -9.946   1.423
  187   2HG   ARG  22          1HG       ARG  22  -0.316  -9.915   0.847
  188   1HD   ARG  22          2HD       ARG  22  -0.216 -12.360   1.623
  189   2HD   ARG  22          1HD       ARG  22  -1.975 -12.267   1.689
  190    HE   ARG  22           HE       ARG  22  -0.514 -11.620  -0.792
  191   1HH1  ARG  22          1HH1      ARG  22  -3.017 -13.385   0.911
  192   2HH1  ARG  22          2HH1      ARG  22  -3.576 -14.225  -0.507
  193   1HH2  ARG  22          1HH2      ARG  22  -1.251 -12.724  -2.674
  194   2HH2  ARG  22          2HH2      ARG  22  -2.555 -13.874  -2.532
  195    H    ALA  23           H        ALA  23  -0.462  -6.593   4.813
  196    HA   ALA  23           HA       ALA  23   1.055  -7.871   6.991
  197   1HB   ALA  23          1HB       ALA  23   0.255  -4.977   6.588
  198   2HB   ALA  23          2HB       ALA  23   1.862  -5.660   6.342
  199   3HB   ALA  23          3HB       ALA  23   1.172  -5.595   7.963
  200    H    GLN  24           H        GLN  24  -1.857  -6.043   6.283
  201    HA   GLN  24           HA       GLN  24  -3.321  -7.726   8.212
  202   1HB   GLN  24          2HB       GLN  24  -3.222  -5.416   9.071
  203   2HB   GLN  24          1HB       GLN  24  -3.830  -4.812   7.538
  204   1HG   GLN  24          2HG       GLN  24  -5.676  -4.782   8.943
  205   2HG   GLN  24          1HG       GLN  24  -5.891  -6.240   7.981
  206   1HE2  GLN  24          1HE2      GLN  24  -5.199  -4.934  11.103
  207   2HE2  GLN  24          2HE2      GLN  24  -5.374  -6.416  11.995
  208    H    ALA  25           H        ALA  25  -3.788  -5.417   5.599
  209    HA   ALA  25           HA       ALA  25  -4.392  -7.021   3.479
  210   1HB   ALA  25          1HB       ALA  25  -6.835  -7.019   3.322
  211   2HB   ALA  25          2HB       ALA  25  -6.950  -6.277   4.917
  212   3HB   ALA  25          3HB       ALA  25  -6.314  -7.915   4.752
  213    H    GLU  26           H        GLU  26  -3.271  -5.202   2.568
  214    HA   GLU  26           HA       GLU  26  -4.945  -2.853   2.210
  215   1HB   GLU  26          2HB       GLU  26  -3.042  -1.349   2.936
  216   2HB   GLU  26          1HB       GLU  26  -3.927  -2.172   4.208
  217   1HG   GLU  26          2HG       GLU  26  -1.361  -3.287   3.124
  218   2HG   GLU  26          1HG       GLU  26  -1.373  -2.046   4.375
  219    H    LEU  27           H        LEU  27  -4.337  -1.440   0.610
  220    HA   LEU  27           HA       LEU  27  -2.360  -2.430  -1.319
  221   1HB   LEU  27          2HB       LEU  27  -4.324  -0.157  -1.604
  222   2HB   LEU  27          1HB       LEU  27  -3.361  -0.868  -2.878
  223    HG   LEU  27           HG       LEU  27  -5.558  -2.308  -1.390
  224   1HD1  LEU  27          1HD1      LEU  27  -5.549  -1.069  -4.139
  225   2HD1  LEU  27          2HD1      LEU  27  -6.461  -0.498  -2.741
  226   3HD1  LEU  27          3HD1      LEU  27  -6.839  -2.064  -3.462
  227   1HD2  LEU  27          1HD2      LEU  27  -5.326  -3.970  -3.170
  228   2HD2  LEU  27          2HD2      LEU  27  -3.834  -3.799  -2.246
  229   3HD2  LEU  27          3HD2      LEU  27  -3.973  -3.061  -3.842
  230    H    VAL  28           H        VAL  28  -0.366  -1.597  -1.143
  231    HA   VAL  28           HA       VAL  28  -0.041   0.828   0.463
  232    HB   VAL  28           HB       VAL  28   2.000  -1.245  -0.362
  233   1HG1  VAL  28          1HG1      VAL  28   3.487  -0.136   1.256
  234   2HG1  VAL  28          2HG1      VAL  28   2.267   1.113   1.512
  235   3HG1  VAL  28          3HG1      VAL  28   3.039   0.945  -0.065
  236   1HG2  VAL  28          1HG2      VAL  28   1.931  -1.906   1.990
  237   2HG2  VAL  28          2HG2      VAL  28   0.354  -2.088   1.225
  238   3HG2  VAL  28          3HG2      VAL  28   0.663  -0.720   2.291
  239    H    CYS  29           H        CYS  29   0.564   2.698  -0.349
  240    HA   CYS  29           HA       CYS  29   1.553   2.872  -3.096
  241   1HB   CYS  29          2HB       CYS  29  -0.222   4.446  -2.414
  242   2HB   CYS  29          1HB       CYS  29   0.797   5.033  -1.106
  243    HG   CYS  29           HG       CYS  29   1.432   7.066  -2.573
  244    H    ASN  30           H        ASN  30   3.695   2.505  -3.241
  245    HA   ASN  30           HA       ASN  30   5.445   2.528  -1.049
  246   1HB   ASN  30          2HB       ASN  30   6.054   2.547  -4.013
  247   2HB   ASN  30          1HB       ASN  30   7.276   2.332  -2.763
  248   1HD2  ASN  30          1HD2      ASN  30   4.700   0.880  -4.519
  249   2HD2  ASN  30          2HD2      ASN  30   4.881  -0.724  -3.888
  250    H    ALA  31           H        ALA  31   4.536   5.075  -3.215
  251    HA   ALA  31           HA       ALA  31   6.836   6.702  -2.875
  252   1HB   ALA  31          1HB       ALA  31   5.315   6.986  -4.770
  253   2HB   ALA  31          2HB       ALA  31   5.490   8.485  -3.857
  254   3HB   ALA  31          3HB       ALA  31   4.037   7.504  -3.670
  255    H    ASP  32           H        ASP  32   3.663   6.649  -1.301
  256    HA   ASP  32           HA       ASP  32   4.495   8.777   0.523
  257   1HB   ASP  32          2HB       ASP  32   1.823   7.391   0.189
  258   2HB   ASP  32          1HB       ASP  32   2.137   8.745   1.269
  259    H    ARG  33           H        ARG  33   4.397   5.425   0.370
  260    HA   ARG  33           HA       ARG  33   4.497   3.709   1.833
  261   1HB   ARG  33          2HB       ARG  33   5.487   5.850   3.709
  262   2HB   ARG  33          1HB       ARG  33   5.528   4.125   4.053
  263   1HG   ARG  33          2HG       ARG  33   6.854   3.865   1.916
  264   2HG   ARG  33          1HG       ARG  33   7.012   5.621   1.918
  265   1HD   ARG  33          2HD       ARG  33   8.110   5.552   4.065
  266   2HD   ARG  33          1HD       ARG  33   7.854   3.809   4.162
  267    HE   ARG  33           HE       ARG  33   9.246   3.995   1.895
  268   1HH1  ARG  33          1HH1      ARG  33   9.788   5.510   5.014
  269   2HH1  ARG  33          2HH1      ARG  33  11.517   5.542   4.839
  270   1HH2  ARG  33          1HH2      ARG  33  11.513   3.996   1.690
  271   2HH2  ARG  33          2HH2      ARG  33  12.490   4.683   2.953
  272    H    LEU  34           H        LEU  34   2.079   5.220   1.476
  273    HA   LEU  34           HA       LEU  34   0.709   4.881   4.040
  274   1HB   LEU  34          2HB       LEU  34  -0.117   6.129   1.425
  275   2HB   LEU  34          1HB       LEU  34  -1.265   5.805   2.709
  276    HG   LEU  34           HG       LEU  34   1.163   7.554   3.034
  277   1HD1  LEU  34          1HD1      LEU  34  -1.704   8.365   2.569
  278   2HD1  LEU  34          2HD1      LEU  34  -0.397   8.509   1.394
  279   3HD1  LEU  34          3HD1      LEU  34  -0.350   9.451   2.883
  280   1HD2  LEU  34          1HD2      LEU  34   0.329   6.551   5.101
  281   2HD2  LEU  34          2HD2      LEU  34  -1.282   7.178   4.756
  282   3HD2  LEU  34          3HD2      LEU  34   0.049   8.292   5.071
  283    H    ALA  35           H        ALA  35  -0.943   3.439   4.317
  284    HA   ALA  35           HA       ALA  35  -1.152   1.377   2.216
  285   1HB   ALA  35          1HB       ALA  35  -1.250   0.965   5.202
  286   2HB   ALA  35          2HB       ALA  35   0.121   0.599   4.154
  287   3HB   ALA  35          3HB       ALA  35  -1.392  -0.288   3.969
  288    H    PHE  36           H        PHE  36  -3.062   1.529   1.283
  289    HA   PHE  36           HA       PHE  36  -5.382   2.583   2.630
  290   1HB   PHE  36          2HB       PHE  36  -5.084   1.319  -0.110
  291   2HB   PHE  36          1HB       PHE  36  -6.522   2.148   0.474
  292    HD1  PHE  36           2HD      PHE  36  -6.499   4.581   0.809
  293    HD2  PHE  36           1HD      PHE  36  -3.175   2.520  -0.869
  294    HE1  PHE  36           2HE      PHE  36  -5.603   6.715  -0.028
  295    HE2  PHE  36           1HE      PHE  36  -2.271   4.647  -1.706
  296    HZ   PHE  36           HZ       PHE  36  -3.490   6.750  -1.286
  297    HA   PRO  37           HA       PRO  37  -6.212  -1.448   4.302
  298   1HB   PRO  37          2HB       PRO  37  -8.378  -0.787   5.778
  299   2HB   PRO  37          1HB       PRO  37  -6.730  -0.347   6.246
  300   1HG   PRO  37          2HG       PRO  37  -8.833   1.315   4.921
  301   2HG   PRO  37          1HG       PRO  37  -7.703   1.762   6.211
  302   1HD   PRO  37          2HD       PRO  37  -7.328   2.422   3.590
  303   2HD   PRO  37          1HD       PRO  37  -5.995   2.183   4.737
  304    H    VAL  38           H        VAL  38  -7.127  -3.080   3.283
  305    HA   VAL  38           HA       VAL  38  -9.694  -2.694   1.916
  306    HB   VAL  38           HB       VAL  38  -7.811  -5.061   1.787
  307   1HG1  VAL  38          1HG1      VAL  38 -10.116  -5.641   1.282
  308   2HG1  VAL  38          2HG1      VAL  38  -9.111  -5.723  -0.164
  309   3HG1  VAL  38          3HG1      VAL  38 -10.191  -4.350   0.082
  310   1HG2  VAL  38          1HG2      VAL  38  -7.208  -4.222  -0.443
  311   2HG2  VAL  38          2HG2      VAL  38  -6.735  -3.114   0.846
  312   3HG2  VAL  38          3HG2      VAL  38  -8.159  -2.768  -0.138
  313    H    ARG  39           H        ARG  39 -11.404  -3.101   3.154
  314    HA   ARG  39           HA       ARG  39 -11.093  -4.845   5.470
  315   1HB   ARG  39          2HB       ARG  39 -12.092  -2.582   5.718
  316   2HB   ARG  39          1HB       ARG  39 -13.421  -3.090   4.685
  317   1HG   ARG  39          2HG       ARG  39 -14.066  -4.775   6.308
  318   2HG   ARG  39          1HG       ARG  39 -12.706  -4.319   7.337
  319   1HD   ARG  39          2HD       ARG  39 -13.628  -2.096   7.621
  320   2HD   ARG  39          1HD       ARG  39 -14.949  -2.479   6.519
  321    HE   ARG  39           HE       ARG  39 -14.765  -4.245   8.793
  322   1HH1  ARG  39          1HH1      ARG  39 -16.076  -1.235   7.584
  323   2HH1  ARG  39          2HH1      ARG  39 -17.406  -1.210   8.698
  324   1HH2  ARG  39          1HH2      ARG  39 -16.519  -4.213  10.276
  325   2HH2  ARG  39          2HH2      ARG  39 -17.655  -2.888  10.231
  326    H    ASP  40           H        ASP  40 -10.923  -6.686   4.025
  327    HA   ASP  40           HA       ASP  40 -11.677  -8.536   2.956
  328   1HB   ASP  40          2HB       ASP  40 -12.551  -8.873   5.246
  329   2HB   ASP  40          1HB       ASP  40 -14.069  -8.127   4.756
  330    H    GLY  41           H        GLY  41 -11.877  -7.619   0.888
  331   1HA   GLY  41          2HA       GLY  41 -13.181  -7.750  -1.065
  332   2HA   GLY  41          1HA       GLY  41 -14.634  -7.677  -0.078
  333    H    VAL  42           H        VAL  42 -13.902  -5.336   1.421
  334    HA   VAL  42           HA       VAL  42 -14.439  -3.360  -0.689
  335    HB   VAL  42           HB       VAL  42 -14.888  -3.087   2.291
  336   1HG1  VAL  42          1HG1      VAL  42 -16.259  -1.160   1.682
  337   2HG1  VAL  42          2HG1      VAL  42 -15.838  -1.391  -0.014
  338   3HG1  VAL  42          3HG1      VAL  42 -14.590  -0.953   1.154
  339   1HG2  VAL  42          1HG2      VAL  42 -17.274  -3.401   1.772
  340   2HG2  VAL  42          2HG2      VAL  42 -16.314  -4.833   1.396
  341   3HG2  VAL  42          3HG2      VAL  42 -16.848  -3.764   0.100
  342    HA   PRO  43           HA       PRO  43 -10.288  -1.943   0.391
  343   1HB   PRO  43          2HB       PRO  43  -9.714  -0.839  -1.992
  344   2HB   PRO  43          1HB       PRO  43  -9.657  -2.586  -1.731
  345   1HG   PRO  43          2HG       PRO  43 -11.716  -0.943  -3.114
  346   2HG   PRO  43          1HG       PRO  43 -11.168  -2.590  -3.466
  347   1HD   PRO  43          2HD       PRO  43 -13.496  -1.886  -2.077
  348   2HD   PRO  43          1HD       PRO  43 -12.746  -3.494  -2.116
  349    H    ILE  44           H        ILE  44 -10.236  -0.195   1.682
  350    HA   ILE  44           HA       ILE  44 -11.820   2.152   1.058
  351    HB   ILE  44           HB       ILE  44  -9.909   1.703   3.367
  352   1HG1  ILE  44          2HG1      ILE  44 -11.752   0.072   3.367
  353   2HG1  ILE  44          1HG1      ILE  44 -11.923   1.209   4.698
  354   1HG2  ILE  44          1HG2      ILE  44 -12.053   3.785   2.932
  355   2HG2  ILE  44          2HG2      ILE  44 -10.313   4.060   2.955
  356   3HG2  ILE  44          3HG2      ILE  44 -11.145   3.560   4.426
  357   1HD1  ILE  44          1HD1      ILE  44 -13.437   1.263   2.099
  358   2HD1  ILE  44          2HD1      ILE  44 -13.596   2.447   3.399
  359   3HD1  ILE  44          3HD1      ILE  44 -14.062   0.766   3.671
  360    H    MET  45           H        MET  45 -10.851   2.866  -0.831
  361    HA   MET  45           HA       MET  45  -8.024   3.516  -0.825
  362   1HB   MET  45          2HB       MET  45 -10.126   3.818  -2.981
  363   2HB   MET  45          1HB       MET  45  -8.414   4.161  -3.190
  364   1HG   MET  45          2HG       MET  45  -7.860   1.846  -2.786
  365   2HG   MET  45          1HG       MET  45  -9.548   1.472  -2.449
  366   1HE   MET  45          1HE       MET  45  -8.007   2.775  -6.598
  367   2HE   MET  45          2HE       MET  45  -6.968   2.603  -5.185
  368   3HE   MET  45          3HE       MET  45  -8.184   3.881  -5.234
  369    H    LEU  46           H        LEU  46  -8.815   5.004   1.061
  370    HA   LEU  46           HA       LEU  46  -9.098   7.692  -0.095
  371   1HB   LEU  46          2HB       LEU  46 -10.440   6.637   2.401
  372   2HB   LEU  46          1HB       LEU  46 -10.384   8.333   1.957
  373    HG   LEU  46           HG       LEU  46 -11.688   6.174   0.294
  374   1HD1  LEU  46          1HD1      LEU  46 -13.801   7.113   1.041
  375   2HD1  LEU  46          2HD1      LEU  46 -12.943   8.247   2.083
  376   3HD1  LEU  46          3HD1      LEU  46 -12.861   6.516   2.410
  377   1HD2  LEU  46          1HD2      LEU  46 -10.915   8.043  -1.046
  378   2HD2  LEU  46          2HD2      LEU  46 -11.695   9.181   0.052
  379   3HD2  LEU  46          3HD2      LEU  46 -12.674   8.078  -0.915
  380    H    GLU  47           H        GLU  47  -7.331   8.797   0.289
  381    HA   GLU  47           HA       GLU  47  -5.201   7.872   1.805
  382   1HB   GLU  47          2HB       GLU  47  -5.667  10.775   1.146
  383   2HB   GLU  47          1HB       GLU  47  -4.127   9.973   1.410
  384   1HG   GLU  47          2HG       GLU  47  -4.167  10.144  -0.871
  385   2HG   GLU  47          1HG       GLU  47  -4.842   8.531  -0.639
  386    H    ALA  48           H        ALA  48  -7.746  10.135   2.715
  387    HA   ALA  48           HA       ALA  48  -6.497  10.882   5.186
  388   1HB   ALA  48          1HB       ALA  48  -8.016  12.404   4.046
  389   2HB   ALA  48          2HB       ALA  48  -8.600  12.033   5.668
  390   3HB   ALA  48          3HB       ALA  48  -9.343  11.262   4.266
  391    H    GLU  49           H        GLU  49  -8.016   8.091   4.227
  392    HA   GLU  49           HA       GLU  49  -8.715   7.423   7.011
  393   1HB   GLU  49          2HB       GLU  49  -9.985   6.541   4.425
  394   2HB   GLU  49          1HB       GLU  49 -10.186   5.624   5.914
  395   1HG   GLU  49          2HG       GLU  49 -11.212   7.512   6.996
  396   2HG   GLU  49          1HG       GLU  49 -10.897   8.528   5.593
  397    H    ALA  50           H        ALA  50  -6.243   7.196   5.166
  398    HA   ALA  50           HA       ALA  50  -5.730   4.337   5.659
  399   1HB   ALA  50          1HB       ALA  50  -4.322   6.193   3.740
  400   2HB   ALA  50          2HB       ALA  50  -5.548   5.004   3.300
  401   3HB   ALA  50          3HB       ALA  50  -4.000   4.474   3.955
  402    H    ARG  51           H        ARG  51  -3.692   3.766   6.607
  403    HA   ARG  51           HA       ARG  51  -2.504   5.978   8.137
  404   1HB   ARG  51          2HB       ARG  51  -1.902   4.435   9.862
  405   2HB   ARG  51          1HB       ARG  51  -3.594   4.174   9.481
  406   1HG   ARG  51          2HG       ARG  51  -1.389   2.457   8.368
  407   2HG   ARG  51          1HG       ARG  51  -2.196   2.117   9.895
  408   1HD   ARG  51          2HD       ARG  51  -4.374   2.247   8.484
  409   2HD   ARG  51          1HD       ARG  51  -3.291   2.022   7.109
  410    HE   ARG  51           HE       ARG  51  -3.359   0.123   9.369
  411   1HH1  ARG  51          1HH1      ARG  51  -3.570   0.762   5.919
  412   2HH1  ARG  51          2HH1      ARG  51  -3.516  -0.919   5.493
  413   1HH2  ARG  51          1HH2      ARG  51  -3.285  -2.065   8.788
  414   2HH2  ARG  51          2HH2      ARG  51  -3.322  -2.531   7.109
  415    H    SER  52           H        SER  52  -0.185   5.849   8.564
  416    HA   SER  52           HA       SER  52   1.175   5.122   6.108
  417   1HB   SER  52          2HB       SER  52   1.576   7.338   6.966
  418   2HB   SER  52          1HB       SER  52   2.094   6.690   8.510
  419    HG   SER  52           HG       SER  52   3.539   7.158   6.318
  420    H    LEU  53           H        LEU  53   3.329   4.188   6.240
  421    HA   LEU  53           HA       LEU  53   3.332   1.964   8.171
  422   1HB   LEU  53          2HB       LEU  53   4.544   2.148   5.414
  423   2HB   LEU  53          1HB       LEU  53   4.705   0.767   6.484
  424    HG   LEU  53           HG       LEU  53   2.125   1.786   5.287
  425   1HD1  LEU  53          1HD1      LEU  53   2.166  -0.326   4.045
  426   2HD1  LEU  53          2HD1      LEU  53   3.754  -0.686   4.723
  427   3HD1  LEU  53          3HD1      LEU  53   3.549   0.698   3.649
  428   1HD2  LEU  53          1HD2      LEU  53   1.137  -0.241   6.257
  429   2HD2  LEU  53          2HD2      LEU  53   1.755   0.846   7.500
  430   3HD2  LEU  53          3HD2      LEU  53   2.666  -0.597   7.057
  431    H    ASP  54           H        ASP  54   4.859   4.847   7.574
  432    HA   ASP  54           HA       ASP  54   7.305   3.875   8.899
  433   1HB   ASP  54          2HB       ASP  54   7.489   4.375   6.354
  434   2HB   ASP  54          1HB       ASP  54   7.434   6.065   6.846
  435    H    ALA  55           H        ALA  55   4.690   5.846   9.093
  436    HA   ALA  55           HA       ALA  55   6.099   7.967  10.557
  437   1HB   ALA  55          1HB       ALA  55   4.583   8.708   8.783
  438   2HB   ALA  55          2HB       ALA  55   4.044   9.255  10.371
  439   3HB   ALA  55          3HB       ALA  55   3.242   7.892   9.590
  440    H    GLU  56           H        GLU  56   5.277   5.120  11.429
  441    HA   GLU  56           HA       GLU  56   4.136   5.983  13.994
  442   1HB   GLU  56          2HB       GLU  56   2.565   4.627  12.408
  443   2HB   GLU  56          1HB       GLU  56   3.564   3.253  12.859
  444   1HG   GLU  56          2HG       GLU  56   2.828   4.625  15.230
  445   2HG   GLU  56          1HG       GLU  56   1.381   4.395  14.253
  446    H    ALA  57           H        ALA  57   4.667   4.373  15.751
  447    HA   ALA  57           HA       ALA  57   6.143   3.190  16.998
  448   1HB   ALA  57          1HB       ALA  57   6.124   1.545  15.165
  449   2HB   ALA  57          2HB       ALA  57   7.692   1.641  15.964
  450   3HB   ALA  57          3HB       ALA  57   7.453   2.410  14.395
  451    HA   PRO  58           HA       PRO  58   9.479   5.974  17.784
  452   1HB   PRO  58          2HB       PRO  58  11.150   3.684  18.624
  453   2HB   PRO  58          1HB       PRO  58  10.630   5.097  19.550
  454   1HG   PRO  58          2HG       PRO  58   9.574   2.681  20.002
  455   2HG   PRO  58          1HG       PRO  58   8.590   4.153  20.097
  456   1HD   PRO  58          2HD       PRO  58   8.755   2.121  17.903
  457   2HD   PRO  58          1HD       PRO  58   7.333   2.960  18.560
  458    H    ALA  59           H        ALA  59  10.122   6.629  15.759
  459    HA   ALA  59           HA       ALA  59  11.893   4.996  14.162
  460   1HB   ALA  59          1HB       ALA  59  11.824   6.841  12.572
  461   2HB   ALA  59          2HB       ALA  59  10.960   7.834  13.746
  462   3HB   ALA  59          3HB       ALA  59  10.195   6.390  13.079
  463    H    GLN  60           H        GLN  60  14.039   5.224  13.939
  464    HA   GLN  60           HA       GLN  60  15.380   7.335  15.510
  465   1HB   GLN  60          2HB       GLN  60  16.318   4.497  15.018
  466   2HB   GLN  60          1HB       GLN  60  17.220   5.730  15.884
  467   1HG   GLN  60          2HG       GLN  60  15.467   5.794  17.597
  468   2HG   GLN  60          1HG       GLN  60  14.597   4.526  16.731
  469   1HE2  GLN  60          1HE2      GLN  60  17.428   5.291  18.618
  470   2HE2  GLN  60          2HE2      GLN  60  17.853   3.651  19.005
  471    HA   PRO  61           HA       PRO  61  17.815   8.371  11.842
  472   1HB   PRO  61          2HB       PRO  61  20.204   7.914  13.568
  473   2HB   PRO  61          1HB       PRO  61  19.795   9.309  12.564
  474   1HG   PRO  61          2HG       PRO  61  19.550   9.427  15.212
  475   2HG   PRO  61          1HG       PRO  61  18.355  10.198  14.152
  476   1HD   PRO  61          2HD       PRO  61  18.157   7.649  15.698
  477   2HD   PRO  61          1HD       PRO  61  16.911   8.869  15.368
  478    H    SER  62           H        SER  62  18.909   7.215  10.236
  479    HA   SER  62           HA       SER  62  18.624   4.387  10.544
  480   1HB   SER  62          2HB       SER  62  19.735   5.941   8.199
  481   2HB   SER  62          1HB       SER  62  19.203   4.259   8.181
  482    HG   SER  62           HG       SER  62  17.355   6.071   9.150
  483    H    LEU  63           H        LEU  63  20.160   3.885  12.156
  484    HA   LEU  63           HA       LEU  63  22.961   3.960  11.467
  485   1HB   LEU  63          2HB       LEU  63  22.275   4.045  13.815
  486   2HB   LEU  63          1HB       LEU  63  21.468   2.497  13.652
  487    HG   LEU  63           HG       LEU  63  23.671   1.442  13.194
  488   1HD1  LEU  63          1HD1      LEU  63  24.764   4.148  13.938
  489   2HD1  LEU  63          2HD1      LEU  63  24.837   3.404  12.343
  490   3HD1  LEU  63          3HD1      LEU  63  25.710   2.680  13.695
  491   1HD2  LEU  63          1HD2      LEU  63  24.466   1.518  15.501
  492   2HD2  LEU  63          2HD2      LEU  63  22.706   1.414  15.437
  493   3HD2  LEU  63          3HD2      LEU  63  23.487   2.955  15.796
  494    H    GLU  64           H        GLU  64  23.641   2.701   9.865
  495    HA   GLU  64           HA       GLU  64  22.015   0.603   8.854
  496   1HB   GLU  64          2HB       GLU  64  23.813   0.239   7.226
  497   2HB   GLU  64          1HB       GLU  64  23.377   1.937   7.351
  498   1HG   GLU  64          2HG       GLU  64  25.359   2.512   8.385
  499   2HG   GLU  64          1HG       GLU  64  25.661   0.869   8.949
  500    H    HIS  65           H        HIS  65  22.310  -1.578   8.830
  501    HA   HIS  65           HA       HIS  65  24.193  -2.718  10.745
  502   1HB   HIS  65          2HB       HIS  65  22.084  -3.974   8.966
  503   2HB   HIS  65          1HB       HIS  65  23.159  -4.907  10.001
  504    HD1  HIS  65           1HD      HIS  65  22.473  -5.202  12.399
  505    HD2  HIS  65           2HD      HIS  65  20.257  -2.263  10.449
  506    HE1  HIS  65           1HE      HIS  65  20.617  -4.581  13.981
  507    HE2  HIS  65           2HE      HIS  65  19.225  -2.887  12.742
  508    H    HIS  66           H        HIS  66  26.222  -2.580   9.965
  509    HA   HIS  66           HA       HIS  66  26.858  -2.239   7.295
  510   1HB   HIS  66          2HB       HIS  66  29.138  -2.359   7.890
  511   2HB   HIS  66          1HB       HIS  66  28.314  -1.704   9.297
  512    HD1  HIS  66           1HD      HIS  66  30.778  -4.108   8.378
  513    HD2  HIS  66           2HD      HIS  66  27.829  -3.897  11.309
  514    HE1  HIS  66           1HE      HIS  66  31.443  -5.783  10.131
  515    HE2  HIS  66           2HE      HIS  66  29.773  -5.470  11.990
  516    H    HIS  67           H        HIS  67  27.293  -3.460   5.628
  517    HA   HIS  67           HA       HIS  67  26.860  -6.334   5.836
  518   1HB   HIS  67          2HB       HIS  67  27.241  -4.497   3.461
  519   2HB   HIS  67          1HB       HIS  67  27.034  -6.236   3.322
  520    HD1  HIS  67           1HD      HIS  67  24.747  -6.852   2.733
  521    HD2  HIS  67           2HD      HIS  67  24.850  -3.365   4.988
  522    HE1  HIS  67           1HE      HIS  67  22.358  -6.095   2.915
  523    HE2  HIS  67           2HE      HIS  67  22.485  -3.854   4.057
  524    H    HIS  68           H        HIS  68  28.422  -7.860   5.585
  525    HA   HIS  68           HA       HIS  68  31.167  -6.990   5.230
  526   1HB   HIS  68          2HB       HIS  68  31.783  -9.343   5.488
  527   2HB   HIS  68          1HB       HIS  68  30.693  -8.859   6.777
  528    HD1  HIS  68           1HD      HIS  68  28.722 -10.328   7.162
  529    HD2  HIS  68           2HD      HIS  68  30.422 -10.935   3.412
  530    HE1  HIS  68           1HE      HIS  68  27.544 -12.331   6.193
  531    HE2  HIS  68           2HE      HIS  68  28.640 -12.728   3.955
  532    H    HIS  69           H        HIS  69  32.508  -8.036   3.487
  533    HA   HIS  69           HA       HIS  69  31.404  -7.323   1.004
  534   1HB   HIS  69          2HB       HIS  69  33.859  -7.345   1.659
  535   2HB   HIS  69          1HB       HIS  69  33.827  -9.082   1.380
  536    HD1  HIS  69           1HD      HIS  69  34.016  -9.883  -1.017
  537    HD2  HIS  69           2HD      HIS  69  33.464  -5.768  -0.697
  538    HE1  HIS  69           1HE      HIS  69  34.391  -8.958  -3.328
  539    HE2  HIS  69           2HE      HIS  69  34.252  -6.453  -3.060
  540    H    HIS  70           H        HIS  70  29.823  -8.359   0.067
  541    HA   HIS  70           HA       HIS  70  28.458  -9.959  -0.749
  542   1HB   HIS  70          2HB       HIS  70  31.093 -11.397  -1.017
  543   2HB   HIS  70          1HB       HIS  70  29.580 -12.052  -1.630
  544    HD1  HIS  70           1HD      HIS  70  31.678 -11.609  -3.672
  545    HD2  HIS  70           2HD      HIS  70  29.030  -8.604  -2.543
  546    HE1  HIS  70           1HE      HIS  70  31.637  -9.976  -5.589
  547    HE2  HIS  70           2HE      HIS  70  30.134  -8.102  -4.828
  Start of MODEL    9
    1   1H    MET   1          1H        MET   1  -0.644 -12.131 -14.194
    2   2H    MET   1          2H        MET   1   0.468 -13.221 -14.870
    3   3H    MET   1          3H        MET   1  -0.935 -12.796 -15.726
    4    HA   MET   1           HA       MET   1   1.244 -10.931 -15.001
    5   1HB   MET   1          2HB       MET   1   1.759 -12.734 -16.740
    6   2HB   MET   1          1HB       MET   1   0.539 -11.973 -17.748
    7   1HG   MET   1          2HG       MET   1   2.854 -10.418 -16.661
    8   2HG   MET   1          1HG       MET   1   2.998 -11.380 -18.128
    9   1HE   MET   1          1HE       MET   1   0.340  -9.658 -20.455
   10   2HE   MET   1          2HE       MET   1   0.067 -11.022 -19.371
   11   3HE   MET   1          3HE       MET   1   1.547 -10.940 -20.327
   12    H    GLU   2           H        GLU   2   0.362  -9.008 -14.700
   13    HA   GLU   2           HA       GLU   2  -0.994  -7.210 -14.802
   14   1HB   GLU   2          2HB       GLU   2  -1.580  -8.239 -17.583
   15   2HB   GLU   2          1HB       GLU   2  -2.143  -6.696 -16.962
   16   1HG   GLU   2          2HG       GLU   2   0.739  -7.503 -17.258
   17   2HG   GLU   2          1HG       GLU   2  -0.155  -6.473 -18.374
   18    H    SER   3           H        SER   3  -2.374  -7.794 -13.184
   19    HA   SER   3           HA       SER   3  -4.592  -9.520 -13.507
   20   1HB   SER   3          2HB       SER   3  -4.275  -7.273 -11.498
   21   2HB   SER   3          1HB       SER   3  -5.311  -8.696 -11.344
   22    HG   SER   3           HG       SER   3  -3.233  -8.784 -10.214
   23    H    ARG   4           H        ARG   4  -5.876  -9.029 -15.219
   24    HA   ARG   4           HA       ARG   4  -6.575  -6.266 -15.749
   25   1HB   ARG   4          2HB       ARG   4  -7.245  -8.786 -17.277
   26   2HB   ARG   4          1HB       ARG   4  -7.569  -7.145 -17.820
   27   1HG   ARG   4          2HG       ARG   4  -5.150  -6.684 -17.793
   28   2HG   ARG   4          1HG       ARG   4  -4.859  -8.358 -17.323
   29   1HD   ARG   4          2HD       ARG   4  -5.882  -9.128 -19.393
   30   2HD   ARG   4          1HD       ARG   4  -6.225  -7.461 -19.855
   31    HE   ARG   4           HE       ARG   4  -3.665  -8.821 -19.966
   32   1HH1  ARG   4          1HH1      ARG   4  -5.360  -5.771 -20.043
   33   2HH1  ARG   4          2HH1      ARG   4  -4.083  -4.920 -20.861
   34   1HH2  ARG   4          1HH2      ARG   4  -1.991  -7.750 -21.077
   35   2HH2  ARG   4          2HH2      ARG   4  -2.155  -6.059 -21.465
   36    H    LEU   5           H        LEU   5  -8.370  -5.333 -15.164
   37    HA   LEU   5           HA       LEU   5 -10.448  -4.924 -14.394
   38   1HB   LEU   5          2HB       LEU   5 -10.996  -7.497 -15.853
   39   2HB   LEU   5          1HB       LEU   5 -12.258  -6.594 -15.041
   40    HG   LEU   5           HG       LEU   5 -11.621  -4.618 -16.513
   41   1HD1  LEU   5          1HD1      LEU   5 -10.486  -5.137 -18.615
   42   2HD1  LEU   5          2HD1      LEU   5 -10.165  -6.773 -18.039
   43   3HD1  LEU   5          3HD1      LEU   5  -9.427  -5.392 -17.228
   44   1HD2  LEU   5          1HD2      LEU   5 -12.909  -5.468 -18.414
   45   2HD2  LEU   5          2HD2      LEU   5 -13.625  -5.951 -16.876
   46   3HD2  LEU   5          3HD2      LEU   5 -12.695  -7.115 -17.819
   47    H    LEU   6           H        LEU   6  -9.710  -5.091 -12.235
   48    HA   LEU   6           HA       LEU   6 -11.152  -7.157 -10.777
   49   1HB   LEU   6          2HB       LEU   6  -8.718  -7.867 -11.146
   50   2HB   LEU   6          1HB       LEU   6  -8.277  -6.542 -10.092
   51    HG   LEU   6           HG       LEU   6  -8.351  -8.838  -9.036
   52   1HD1  LEU   6          1HD1      LEU   6  -9.384  -8.056  -6.962
   53   2HD1  LEU   6          2HD1      LEU   6 -10.096  -6.699  -7.833
   54   3HD1  LEU   6          3HD1      LEU   6  -8.345  -6.825  -7.684
   55   1HD2  LEU   6          1HD2      LEU   6 -11.323  -8.417  -9.319
   56   2HD2  LEU   6          2HD2      LEU   6 -10.549  -9.682  -8.366
   57   3HD2  LEU   6          3HD2      LEU   6 -10.360  -9.663 -10.120
   58    H    ASP   7           H        ASP   7 -12.534  -5.835  -9.797
   59    HA   ASP   7           HA       ASP   7 -13.430  -4.222  -8.505
   60   1HB   ASP   7          2HB       ASP   7 -10.656  -4.287  -7.377
   61   2HB   ASP   7          1HB       ASP   7 -11.774  -3.025  -6.866
   62    H    ILE   8           H        ILE   8 -10.223  -2.808  -9.097
   63    HA   ILE   8           HA       ILE   8  -9.548  -0.901 -10.118
   64    HB   ILE   8           HB       ILE   8 -12.241  -0.951 -11.500
   65   1HG1  ILE   8          2HG1      ILE   8  -9.539  -1.953 -12.423
   66   2HG1  ILE   8          1HG1      ILE   8 -10.862  -2.978 -11.879
   67   1HG2  ILE   8          1HG2      ILE   8  -9.709   0.545 -12.175
   68   2HG2  ILE   8          2HG2      ILE   8 -11.212   1.254 -11.588
   69   3HG2  ILE   8          3HG2      ILE   8 -11.160   0.484 -13.174
   70   1HD1  ILE   8          1HD1      ILE   8 -10.886  -1.191 -14.304
   71   2HD1  ILE   8          2HD1      ILE   8 -12.220  -2.210 -13.760
   72   3HD1  ILE   8          3HD1      ILE   8 -10.710  -2.946 -14.298
   73    H    LEU   9           H        LEU   9  -9.365   0.454  -8.425
   74    HA   LEU   9           HA       LEU   9 -11.647   2.222  -7.870
   75   1HB   LEU   9          2HB       LEU   9  -9.683   0.993  -5.941
   76   2HB   LEU   9          1HB       LEU   9 -10.649   2.397  -5.529
   77    HG   LEU   9           HG       LEU   9 -11.846  -0.235  -6.382
   78   1HD1  LEU   9          1HD1      LEU   9 -10.552  -0.548  -4.332
   79   2HD1  LEU   9          2HD1      LEU   9 -12.286  -0.641  -4.017
   80   3HD1  LEU   9          3HD1      LEU   9 -11.390   0.819  -3.595
   81   1HD2  LEU   9          1HD2      LEU   9 -13.869   0.684  -5.361
   82   2HD2  LEU   9          2HD2      LEU   9 -13.287   1.712  -6.672
   83   3HD2  LEU   9          3HD2      LEU   9 -13.004   2.177  -4.991
   84    H    VAL  10           H        VAL  10 -11.124   4.395  -7.443
   85    HA   VAL  10           HA       VAL  10  -8.354   5.156  -8.073
   86    HB   VAL  10           HB       VAL  10  -9.233   7.207  -9.163
   87   1HG1  VAL  10          1HG1      VAL  10  -8.562   5.297 -10.521
   88   2HG1  VAL  10          2HG1      VAL  10  -9.927   6.140 -11.252
   89   3HG1  VAL  10          3HG1      VAL  10 -10.187   4.623 -10.392
   90   1HG2  VAL  10          1HG2      VAL  10 -11.587   7.289  -9.851
   91   2HG2  VAL  10          2HG2      VAL  10 -11.423   7.301  -8.094
   92   3HG2  VAL  10          3HG2      VAL  10 -11.904   5.824  -8.925
   93    H    CYS  11           H        CYS  11  -7.740   7.298  -7.287
   94    HA   CYS  11           HA       CYS  11  -8.465   7.720  -4.574
   95   1HB   CYS  11          2HB       CYS  11  -6.235   8.276  -5.373
   96   2HB   CYS  11          1HB       CYS  11  -6.903   9.444  -6.513
   97    HG   CYS  11           HG       CYS  11  -5.585  10.386  -3.961
   98    HA   PRO  12           HA       PRO  12 -12.195  10.031  -5.174
   99   1HB   PRO  12          2HB       PRO  12 -12.107  11.390  -2.760
  100   2HB   PRO  12          1HB       PRO  12 -12.771   9.770  -2.988
  101   1HG   PRO  12          2HG       PRO  12 -10.085  10.596  -1.978
  102   2HG   PRO  12          1HG       PRO  12 -11.133   9.272  -1.433
  103   1HD   PRO  12          2HD       PRO  12  -8.992   8.816  -2.983
  104   2HD   PRO  12          1HD       PRO  12 -10.491   7.883  -3.178
  105    H    VAL  13           H        VAL  13  -9.262  11.651  -4.028
  106    HA   VAL  13           HA       VAL  13 -10.292  14.230  -4.922
  107    HB   VAL  13           HB       VAL  13  -7.674  13.614  -3.540
  108   1HG1  VAL  13          1HG1      VAL  13  -7.647  16.021  -3.042
  109   2HG1  VAL  13          2HG1      VAL  13  -9.101  16.228  -4.017
  110   3HG1  VAL  13          3HG1      VAL  13  -7.600  15.698  -4.775
  111   1HG2  VAL  13          1HG2      VAL  13  -8.762  14.469  -1.512
  112   2HG2  VAL  13          2HG2      VAL  13  -9.552  13.016  -2.124
  113   3HG2  VAL  13          3HG2      VAL  13 -10.284  14.596  -2.393
  114    H    CYS  14           H        CYS  14  -7.280  12.357  -5.364
  115    HA   CYS  14           HA       CYS  14  -6.423  14.120  -7.462
  116   1HB   CYS  14          2HB       CYS  14  -5.200  11.518  -6.529
  117   2HB   CYS  14          1HB       CYS  14  -4.418  12.741  -7.523
  118    HG   CYS  14           HG       CYS  14  -4.236  12.446  -4.348
  119    H    LYS  15           H        LYS  15  -8.401  11.393  -7.393
  120    HA   LYS  15           HA       LYS  15  -9.265   9.977  -8.927
  121   1HB   LYS  15          2HB       LYS  15  -8.431  12.209 -10.775
  122   2HB   LYS  15          1HB       LYS  15  -9.466  10.870 -11.248
  123   1HG   LYS  15          2HG       LYS  15 -10.076  12.873  -9.085
  124   2HG   LYS  15          1HG       LYS  15 -10.752  12.874 -10.708
  125   1HD   LYS  15          2HD       LYS  15 -11.638  10.567 -10.226
  126   2HD   LYS  15          1HD       LYS  15 -11.144  10.813  -8.551
  127   1HE   LYS  15          2HE       LYS  15 -13.125  12.479 -10.101
  128   2HE   LYS  15          1HE       LYS  15 -13.503  11.318  -8.831
  129   1HZ   LYS  15          1HZ       LYS  15 -13.552  13.544  -7.960
  130   2HZ   LYS  15          2HZ       LYS  15 -11.974  13.845  -8.503
  131   3HZ   LYS  15          3HZ       LYS  15 -12.243  12.714  -7.272
  132    H    GLY  16           H        GLY  16  -6.236   9.973  -8.404
  133   1HA   GLY  16          2HA       GLY  16  -5.233   8.663 -10.782
  134   2HA   GLY  16          1HA       GLY  16  -4.374   8.859  -9.256
  135    H    ARG  17           H        ARG  17  -4.166   6.444 -10.451
  136    HA   ARG  17           HA       ARG  17  -6.246   4.627  -9.769
  137   1HB   ARG  17          2HB       ARG  17  -3.352   4.208 -10.501
  138   2HB   ARG  17          1HB       ARG  17  -4.414   2.871 -10.100
  139   1HG   ARG  17          2HG       ARG  17  -4.431   2.925 -12.417
  140   2HG   ARG  17          1HG       ARG  17  -5.920   3.760 -11.975
  141   1HD   ARG  17          2HD       ARG  17  -4.998   5.874 -12.464
  142   2HD   ARG  17          1HD       ARG  17  -3.357   5.231 -12.521
  143    HE   ARG  17           HE       ARG  17  -5.085   4.061 -14.489
  144   1HH1  ARG  17          1HH1      ARG  17  -3.038   6.804 -13.786
  145   2HH1  ARG  17          2HH1      ARG  17  -2.699   7.150 -15.450
  146   1HH2  ARG  17          1HH2      ARG  17  -4.648   4.489 -16.682
  147   2HH2  ARG  17          2HH2      ARG  17  -3.625   5.837 -17.108
  148    H    LEU  18           H        LEU  18  -6.498   3.294  -8.003
  149    HA   LEU  18           HA       LEU  18  -4.622   3.635  -5.784
  150   1HB   LEU  18          2HB       LEU  18  -7.258   2.164  -5.928
  151   2HB   LEU  18          1HB       LEU  18  -6.258   2.288  -4.495
  152    HG   LEU  18           HG       LEU  18  -7.649   4.570  -5.897
  153   1HD1  LEU  18          1HD1      LEU  18  -9.164   3.136  -4.639
  154   2HD1  LEU  18          2HD1      LEU  18  -8.970   4.699  -3.844
  155   3HD1  LEU  18          3HD1      LEU  18  -8.132   3.280  -3.216
  156   1HD2  LEU  18          1HD2      LEU  18  -6.841   5.965  -4.084
  157   2HD2  LEU  18          2HD2      LEU  18  -5.484   5.245  -4.952
  158   3HD2  LEU  18          3HD2      LEU  18  -5.976   4.594  -3.390
  159    H    GLU  19           H        GLU  19  -3.058   2.190  -5.471
  160    HA   GLU  19           HA       GLU  19  -2.960  -0.036  -7.358
  161   1HB   GLU  19          2HB       GLU  19  -1.045   1.621  -7.045
  162   2HB   GLU  19          1HB       GLU  19  -0.742   0.826  -5.508
  163   1HG   GLU  19          2HG       GLU  19  -0.665  -1.339  -6.908
  164   2HG   GLU  19          1HG       GLU  19  -0.462  -0.250  -8.278
  165    H    PHE  20           H        PHE  20  -3.827  -1.839  -6.684
  166    HA   PHE  20           HA       PHE  20  -4.149  -2.492  -3.927
  167   1HB   PHE  20          2HB       PHE  20  -5.806  -3.212  -5.570
  168   2HB   PHE  20          1HB       PHE  20  -4.591  -4.167  -6.412
  169    HD1  PHE  20           1HD      PHE  20  -6.166  -3.829  -3.047
  170    HD2  PHE  20           2HD      PHE  20  -4.408  -6.409  -5.941
  171    HE1  PHE  20           1HE      PHE  20  -6.725  -5.771  -1.648
  172    HE2  PHE  20           2HE      PHE  20  -4.960  -8.357  -4.542
  173    HZ   PHE  20           HZ       PHE  20  -6.122  -8.037  -2.390
  174    H    GLN  21           H        GLN  21  -2.416  -2.990  -2.752
  175    HA   GLN  21           HA       GLN  21  -0.481  -4.896  -3.856
  176   1HB   GLN  21          2HB       GLN  21  -0.261  -3.141  -1.399
  177   2HB   GLN  21          1HB       GLN  21   0.998  -4.172  -2.055
  178   1HG   GLN  21          2HG       GLN  21   0.831  -2.787  -4.172
  179   2HG   GLN  21          1HG       GLN  21  -0.139  -1.660  -3.224
  180   1HE2  GLN  21          1HE2      GLN  21   2.396  -1.213  -4.507
  181   2HE2  GLN  21          2HE2      GLN  21   3.501  -0.754  -3.251
  182    H    ARG  22           H        ARG  22   0.391  -6.428  -2.091
  183    HA   ARG  22           HA       ARG  22  -1.845  -7.296  -0.399
  184   1HB   ARG  22          2HB       ARG  22  -0.189  -9.032  -2.221
  185   2HB   ARG  22          1HB       ARG  22  -1.224  -9.665  -0.947
  186   1HG   ARG  22          2HG       ARG  22  -3.166  -8.611  -2.020
  187   2HG   ARG  22          1HG       ARG  22  -2.118  -8.024  -3.310
  188   1HD   ARG  22          2HD       ARG  22  -2.507 -10.928  -2.601
  189   2HD   ARG  22          1HD       ARG  22  -3.361 -10.089  -3.896
  190    HE   ARG  22           HE       ARG  22  -1.152  -9.736  -4.943
  191   1HH1  ARG  22          1HH1      ARG  22  -1.483 -12.253  -2.520
  192   2HH1  ARG  22          2HH1      ARG  22  -0.193 -13.221  -3.175
  193   1HH2  ARG  22          1HH2      ARG  22   0.538 -11.030  -5.813
  194   2HH2  ARG  22          2HH2      ARG  22   0.939 -12.535  -5.041
  195    H    ALA  23           H        ALA  23  -0.434  -6.008   1.087
  196    HA   ALA  23           HA       ALA  23   1.382  -7.919   2.415
  197   1HB   ALA  23          1HB       ALA  23   2.405  -5.726   2.014
  198   2HB   ALA  23          2HB       ALA  23   2.196  -6.026   3.740
  199   3HB   ALA  23          3HB       ALA  23   1.085  -4.949   2.892
  200    H    GLN  24           H        GLN  24  -1.337  -5.716   2.824
  201    HA   GLN  24           HA       GLN  24  -2.662  -7.712   4.446
  202   1HB   GLN  24          2HB       GLN  24  -1.377  -6.204   6.058
  203   2HB   GLN  24          1HB       GLN  24  -2.450  -4.905   5.552
  204   1HG   GLN  24          2HG       GLN  24  -4.378  -6.148   6.344
  205   2HG   GLN  24          1HG       GLN  24  -3.343  -7.506   6.772
  206   1HE2  GLN  24          1HE2      GLN  24  -5.136  -5.908   8.417
  207   2HE2  GLN  24          2HE2      GLN  24  -4.167  -5.286   9.702
  208    H    ALA  25           H        ALA  25  -2.858  -6.576   1.831
  209    HA   ALA  25           HA       ALA  25  -4.413  -5.960   0.320
  210   1HB   ALA  25          1HB       ALA  25  -5.938  -7.441   1.530
  211   2HB   ALA  25          2HB       ALA  25  -6.774  -6.026   0.889
  212   3HB   ALA  25          3HB       ALA  25  -6.377  -6.110   2.605
  213    H    GLU  26           H        GLU  26  -3.179  -3.984   0.293
  214    HA   GLU  26           HA       GLU  26  -4.706  -1.699   1.349
  215   1HB   GLU  26          2HB       GLU  26  -2.545  -0.456   1.339
  216   2HB   GLU  26          1HB       GLU  26  -2.581  -1.806   2.464
  217   1HG   GLU  26          2HG       GLU  26  -1.498  -2.321  -0.242
  218   2HG   GLU  26          1HG       GLU  26  -0.529  -1.332   0.847
  219    H    LEU  27           H        LEU  27  -5.223  -0.053  -0.010
  220    HA   LEU  27           HA       LEU  27  -4.467  -0.360  -2.839
  221   1HB   LEU  27          2HB       LEU  27  -6.507   1.576  -1.807
  222   2HB   LEU  27          1HB       LEU  27  -6.361   0.898  -3.409
  223    HG   LEU  27           HG       LEU  27  -7.163  -0.731  -1.004
  224   1HD1  LEU  27          1HD1      LEU  27  -8.802   1.032  -1.414
  225   2HD1  LEU  27          2HD1      LEU  27  -9.447  -0.552  -1.844
  226   3HD1  LEU  27          3HD1      LEU  27  -8.903   0.552  -3.107
  227   1HD2  LEU  27          1HD2      LEU  27  -6.194  -1.999  -2.861
  228   2HD2  LEU  27          2HD2      LEU  27  -7.351  -1.265  -3.971
  229   3HD2  LEU  27          3HD2      LEU  27  -7.915  -2.332  -2.685
  230    H    VAL  28           H        VAL  28  -2.545   0.640  -3.060
  231    HA   VAL  28           HA       VAL  28  -1.749   2.921  -1.585
  232    HB   VAL  28           HB       VAL  28  -0.608   1.707  -4.108
  233   1HG1  VAL  28          1HG1      VAL  28   0.581   3.840  -2.333
  234   2HG1  VAL  28          2HG1      VAL  28   0.020   4.063  -3.990
  235   3HG1  VAL  28          3HG1      VAL  28   1.409   3.028  -3.661
  236   1HG2  VAL  28          1HG2      VAL  28   1.094   0.813  -2.595
  237   2HG2  VAL  28          2HG2      VAL  28  -0.519   0.275  -2.124
  238   3HG2  VAL  28          3HG2      VAL  28   0.277   1.565  -1.226
  239    H    CYS  29           H        CYS  29  -2.501   4.898  -1.799
  240    HA   CYS  29           HA       CYS  29  -3.819   5.882  -4.125
  241   1HB   CYS  29          2HB       CYS  29  -2.571   7.515  -1.906
  242   2HB   CYS  29          1HB       CYS  29  -3.892   7.988  -2.971
  243    HG   CYS  29           HG       CYS  29  -5.049   5.362  -1.641
  244    H    ASN  30           H        ASN  30  -2.684   5.990  -5.959
  245    HA   ASN  30           HA       ASN  30   0.101   5.920  -6.057
  246   1HB   ASN  30          2HB       ASN  30  -1.874   5.405  -7.818
  247   2HB   ASN  30          1HB       ASN  30  -1.339   6.963  -8.432
  248   1HD2  ASN  30          1HD2      ASN  30   0.609   4.440  -6.917
  249   2HD2  ASN  30          2HD2      ASN  30   1.595   4.116  -8.297
  250    H    ALA  31           H        ALA  31  -2.089   8.646  -6.248
  251    HA   ALA  31           HA       ALA  31   0.149  10.414  -6.914
  252   1HB   ALA  31          1HB       ALA  31  -1.529  12.078  -7.464
  253   2HB   ALA  31          2HB       ALA  31  -2.808  11.012  -6.884
  254   3HB   ALA  31          3HB       ALA  31  -1.869  10.568  -8.310
  255    H    ASP  32           H        ASP  32  -0.972   9.181  -4.192
  256    HA   ASP  32           HA       ASP  32  -0.740  11.715  -2.707
  257   1HB   ASP  32          2HB       ASP  32  -2.582   9.396  -2.105
  258   2HB   ASP  32          1HB       ASP  32  -2.318  10.761  -1.026
  259    H    ARG  33           H        ARG  33   0.441   8.591  -3.185
  260    HA   ARG  33           HA       ARG  33   2.036   7.330  -2.168
  261   1HB   ARG  33          2HB       ARG  33   2.577   9.838  -0.569
  262   2HB   ARG  33          1HB       ARG  33   3.623   8.428  -0.640
  263   1HG   ARG  33          2HG       ARG  33   3.037   9.323  -3.292
  264   2HG   ARG  33          1HG       ARG  33   3.631  10.666  -2.318
  265   1HD   ARG  33          2HD       ARG  33   4.997   7.992  -2.476
  266   2HD   ARG  33          1HD       ARG  33   5.393   9.347  -3.529
  267    HE   ARG  33           HE       ARG  33   5.716   9.380  -0.584
  268   1HH1  ARG  33          1HH1      ARG  33   6.645  10.406  -3.804
  269   2HH1  ARG  33          2HH1      ARG  33   8.098  11.207  -3.271
  270   1HH2  ARG  33          1HH2      ARG  33   7.626  10.426   0.120
  271   2HH2  ARG  33          2HH2      ARG  33   8.628  11.254  -1.040
  272    H    LEU  34           H        LEU  34  -0.638   7.308  -1.224
  273    HA   LEU  34           HA       LEU  34  -0.263   6.647   1.630
  274   1HB   LEU  34          2HB       LEU  34  -2.746   7.595   0.189
  275   2HB   LEU  34          1HB       LEU  34  -2.734   7.009   1.840
  276    HG   LEU  34           HG       LEU  34  -1.204   9.426   0.882
  277   1HD1  LEU  34          1HD1      LEU  34  -3.614   9.783   0.732
  278   2HD1  LEU  34          2HD1      LEU  34  -2.904  10.733   2.036
  279   3HD1  LEU  34          3HD1      LEU  34  -3.798   9.259   2.407
  280   1HD2  LEU  34          1HD2      LEU  34  -0.965   9.886   3.280
  281   2HD2  LEU  34          2HD2      LEU  34  -0.201   8.363   2.821
  282   3HD2  LEU  34          3HD2      LEU  34  -1.761   8.354   3.645
  283    H    ALA  35           H        ALA  35  -2.300   5.091   2.202
  284    HA   ALA  35           HA       ALA  35  -2.836   3.175   0.099
  285   1HB   ALA  35          1HB       ALA  35  -0.668   2.413   0.962
  286   2HB   ALA  35          2HB       ALA  35  -1.953   1.251   1.295
  287   3HB   ALA  35          3HB       ALA  35  -1.356   2.301   2.581
  288    H    PHE  36           H        PHE  36  -4.916   2.757   0.265
  289    HA   PHE  36           HA       PHE  36  -6.282   3.030   2.826
  290   1HB   PHE  36          2HB       PHE  36  -7.300   2.579   0.014
  291   2HB   PHE  36          1HB       PHE  36  -8.348   2.631   1.427
  292    HD1  PHE  36           2HD      PHE  36  -7.075   4.860   2.930
  293    HD2  PHE  36           1HD      PHE  36  -7.966   4.424  -1.209
  294    HE1  PHE  36           2HE      PHE  36  -7.237   7.305   2.712
  295    HE2  PHE  36           1HE      PHE  36  -8.135   6.867  -1.437
  296    HZ   PHE  36           HZ       PHE  36  -7.771   8.311   0.526
  297    HA   PRO  37           HA       PRO  37  -5.788  -1.416   3.213
  298   1HB   PRO  37          2HB       PRO  37  -6.731  -1.133   5.931
  299   2HB   PRO  37          1HB       PRO  37  -5.091  -1.464   5.371
  300   1HG   PRO  37          2HG       PRO  37  -5.851   0.871   6.588
  301   2HG   PRO  37          1HG       PRO  37  -4.485   0.742   5.467
  302   1HD   PRO  37          2HD       PRO  37  -7.267   1.729   4.968
  303   2HD   PRO  37          1HD       PRO  37  -5.720   2.368   4.372
  304    H    VAL  38           H        VAL  38  -7.228  -2.958   2.725
  305    HA   VAL  38           HA       VAL  38 -10.078  -2.473   3.247
  306    HB   VAL  38           HB       VAL  38  -8.807  -4.662   1.587
  307   1HG1  VAL  38          1HG1      VAL  38 -11.028  -5.230   2.396
  308   2HG1  VAL  38          2HG1      VAL  38 -11.056  -4.936   0.657
  309   3HG1  VAL  38          3HG1      VAL  38 -11.662  -3.708   1.769
  310   1HG2  VAL  38          1HG2      VAL  38  -8.303  -2.485   0.630
  311   2HG2  VAL  38          2HG2      VAL  38 -10.007  -2.040   0.703
  312   3HG2  VAL  38          3HG2      VAL  38  -9.480  -3.339  -0.365
  313    H    ARG  39           H        ARG  39 -10.516  -3.090   5.303
  314    HA   ARG  39           HA       ARG  39  -9.333  -5.613   6.253
  315   1HB   ARG  39          2HB       ARG  39  -8.702  -3.582   7.530
  316   2HB   ARG  39          1HB       ARG  39 -10.398  -3.312   7.902
  317   1HG   ARG  39          2HG       ARG  39 -10.464  -5.471   9.075
  318   2HG   ARG  39          1HG       ARG  39  -8.747  -5.686   8.737
  319   1HD   ARG  39          2HD       ARG  39  -8.269  -3.618   9.995
  320   2HD   ARG  39          1HD       ARG  39  -9.985  -3.472  10.369
  321    HE   ARG  39           HE       ARG  39  -8.669  -5.945  11.161
  322   1HH1  ARG  39          1HH1      ARG  39  -9.812  -2.771  12.124
  323   2HH1  ARG  39          2HH1      ARG  39  -9.890  -3.177  13.810
  324   1HH2  ARG  39          1HH2      ARG  39  -8.760  -6.477  13.357
  325   2HH2  ARG  39          2HH2      ARG  39  -9.312  -5.299  14.512
  326    H    ASP  40           H        ASP  40 -10.666  -7.254   6.169
  327    HA   ASP  40           HA       ASP  40 -12.477  -8.589   6.469
  328   1HB   ASP  40          2HB       ASP  40 -12.081  -7.639   8.803
  329   2HB   ASP  40          1HB       ASP  40 -13.419  -6.544   8.477
  330    H    GLY  41           H        GLY  41 -12.773  -7.162   4.248
  331   1HA   GLY  41          2HA       GLY  41 -14.469  -6.872   2.711
  332   2HA   GLY  41          1HA       GLY  41 -15.635  -7.074   4.008
  333    H    VAL  42           H        VAL  42 -13.601  -4.759   5.108
  334    HA   VAL  42           HA       VAL  42 -15.292  -2.613   3.998
  335    HB   VAL  42           HB       VAL  42 -13.982  -2.681   6.728
  336   1HG1  VAL  42          1HG1      VAL  42 -15.352  -0.698   7.184
  337   2HG1  VAL  42          2HG1      VAL  42 -15.906  -0.708   5.510
  338   3HG1  VAL  42          3HG1      VAL  42 -14.204  -0.423   5.875
  339   1HG2  VAL  42          1HG2      VAL  42 -16.878  -3.061   5.970
  340   2HG2  VAL  42          2HG2      VAL  42 -16.255  -2.949   7.615
  341   3HG2  VAL  42          3HG2      VAL  42 -15.797  -4.306   6.586
  342    HA   PRO  43           HA       PRO  43 -11.211  -1.193   2.598
  343   1HB   PRO  43          2HB       PRO  43 -12.773   0.602   0.904
  344   2HB   PRO  43          1HB       PRO  43 -11.658  -0.683   0.432
  345   1HG   PRO  43          2HG       PRO  43 -14.337  -0.859   0.054
  346   2HG   PRO  43          1HG       PRO  43 -13.310  -2.272   0.351
  347   1HD   PRO  43          2HD       PRO  43 -15.083  -0.784   2.254
  348   2HD   PRO  43          1HD       PRO  43 -14.839  -2.537   2.077
  349    H    ILE  44           H        ILE  44 -10.324   0.109   4.095
  350    HA   ILE  44           HA       ILE  44 -11.807   2.281   5.262
  351    HB   ILE  44           HB       ILE  44  -8.917   1.472   5.646
  352   1HG1  ILE  44          2HG1      ILE  44 -10.482  -0.290   6.337
  353   2HG1  ILE  44          1HG1      ILE  44  -9.697   0.437   7.737
  354   1HG2  ILE  44          1HG2      ILE  44  -9.259   3.791   6.252
  355   2HG2  ILE  44          2HG2      ILE  44  -9.030   2.815   7.704
  356   3HG2  ILE  44          3HG2      ILE  44 -10.647   3.352   7.248
  357   1HD1  ILE  44          1HD1      ILE  44 -12.483   1.024   6.764
  358   2HD1  ILE  44          2HD1      ILE  44 -11.699   1.763   8.162
  359   3HD1  ILE  44          3HD1      ILE  44 -12.046   0.034   8.158
  360    H    MET  45           H        MET  45 -12.166   3.869   3.800
  361    HA   MET  45           HA       MET  45  -9.904   4.999   2.340
  362   1HB   MET  45          2HB       MET  45 -12.860   5.620   2.203
  363   2HB   MET  45          1HB       MET  45 -11.628   6.379   1.206
  364   1HG   MET  45          2HG       MET  45 -11.074   4.197   0.243
  365   2HG   MET  45          1HG       MET  45 -12.339   3.454   1.217
  366   1HE   MET  45          1HE       MET  45 -11.531   5.901  -1.749
  367   2HE   MET  45          2HE       MET  45 -12.351   6.941  -0.586
  368   3HE   MET  45          3HE       MET  45 -13.131   6.548  -2.118
  369    H    LEU  46           H        LEU  46 -10.269   5.220   5.253
  370    HA   LEU  46           HA       LEU  46 -10.925   7.994   5.746
  371   1HB   LEU  46          2HB       LEU  46  -9.744   5.928   7.605
  372   2HB   LEU  46          1HB       LEU  46 -10.425   7.474   8.072
  373    HG   LEU  46           HG       LEU  46 -11.959   5.166   6.863
  374   1HD1  LEU  46          1HD1      LEU  46 -13.021   5.001   9.060
  375   2HD1  LEU  46          2HD1      LEU  46 -11.962   6.275   9.669
  376   3HD1  LEU  46          3HD1      LEU  46 -11.282   4.729   9.163
  377   1HD2  LEU  46          1HD2      LEU  46 -12.893   7.297   6.179
  378   2HD2  LEU  46          2HD2      LEU  46 -12.909   7.850   7.853
  379   3HD2  LEU  46          3HD2      LEU  46 -13.949   6.515   7.356
  380    H    GLU  47           H        GLU  47  -9.539   9.599   5.574
  381    HA   GLU  47           HA       GLU  47  -7.019   9.134   4.412
  382   1HB   GLU  47          2HB       GLU  47  -8.551  11.120   4.069
  383   2HB   GLU  47          1HB       GLU  47  -7.963  11.735   5.606
  384   1HG   GLU  47          2HG       GLU  47  -5.694  11.785   4.725
  385   2HG   GLU  47          1HG       GLU  47  -6.276  11.160   3.184
  386    H    ALA  48           H        ALA  48  -7.873  10.397   7.646
  387    HA   ALA  48           HA       ALA  48  -5.118  10.692   8.398
  388   1HB   ALA  48          1HB       ALA  48  -5.986  11.277  10.606
  389   2HB   ALA  48          2HB       ALA  48  -7.599  10.767  10.111
  390   3HB   ALA  48          3HB       ALA  48  -6.838  12.155   9.335
  391    H    GLU  49           H        GLU  49  -7.341   8.123   8.372
  392    HA   GLU  49           HA       GLU  49  -5.813   6.588  10.340
  393   1HB   GLU  49          2HB       GLU  49  -8.459   6.038   8.978
  394   2HB   GLU  49          1HB       GLU  49  -7.648   4.876  10.017
  395   1HG   GLU  49          2HG       GLU  49  -9.144   5.831  11.464
  396   2HG   GLU  49          1HG       GLU  49  -7.705   6.800  11.763
  397    H    ALA  50           H        ALA  50  -5.487   7.295   7.231
  398    HA   ALA  50           HA       ALA  50  -5.125   4.664   6.123
  399   1HB   ALA  50          1HB       ALA  50  -4.418   5.805   4.114
  400   2HB   ALA  50          2HB       ALA  50  -4.320   7.335   4.986
  401   3HB   ALA  50          3HB       ALA  50  -5.883   6.554   4.746
  402    H    ARG  51           H        ARG  51  -3.080   4.030   5.126
  403    HA   ARG  51           HA       ARG  51  -0.831   4.625   6.915
  404   1HB   ARG  51          2HB       ARG  51  -1.374   2.319   6.972
  405   2HB   ARG  51          1HB       ARG  51  -1.554   2.236   5.228
  406   1HG   ARG  51          2HG       ARG  51   0.855   2.505   4.956
  407   2HG   ARG  51          1HG       ARG  51   1.040   2.620   6.711
  408   1HD   ARG  51          2HD       ARG  51   0.470   0.391   7.044
  409   2HD   ARG  51          1HD       ARG  51  -0.350   0.270   5.490
  410    HE   ARG  51           HE       ARG  51   2.592   0.487   5.715
  411   1HH1  ARG  51          1HH1      ARG  51  -0.303  -1.010   4.442
  412   2HH1  ARG  51          2HH1      ARG  51   0.540  -2.083   3.365
  413   1HH2  ARG  51          1HH2      ARG  51   3.733  -0.929   4.313
  414   2HH2  ARG  51          2HH2      ARG  51   2.842  -2.005   3.265
  415    H    SER  52           H        SER  52   0.794   5.820   6.134
  416    HA   SER  52           HA       SER  52   0.795   6.419   3.286
  417   1HB   SER  52          2HB       SER  52   0.900   8.326   4.712
  418   2HB   SER  52          1HB       SER  52   2.271   7.671   5.591
  419    HG   SER  52           HG       SER  52   2.212   9.120   3.304
  420    H    LEU  53           H        LEU  53   2.709   6.451   2.064
  421    HA   LEU  53           HA       LEU  53   4.270   4.048   2.448
  422   1HB   LEU  53          2HB       LEU  53   4.377   6.168   0.300
  423   2HB   LEU  53          1HB       LEU  53   5.290   4.670   0.275
  424    HG   LEU  53           HG       LEU  53   2.284   4.917   0.172
  425   1HD1  LEU  53          1HD1      LEU  53   4.293   4.110  -1.923
  426   2HD1  LEU  53          2HD1      LEU  53   3.358   5.605  -1.891
  427   3HD1  LEU  53          3HD1      LEU  53   2.539   4.059  -2.104
  428   1HD2  LEU  53          1HD2      LEU  53   2.291   2.504  -0.202
  429   2HD2  LEU  53          2HD2      LEU  53   2.984   2.905   1.367
  430   3HD2  LEU  53          3HD2      LEU  53   4.038   2.467   0.026
  431    H    ASP  54           H        ASP  54   4.547   7.356   3.170
  432    HA   ASP  54           HA       ASP  54   7.456   7.261   3.369
  433   1HB   ASP  54          2HB       ASP  54   5.473   9.515   3.701
  434   2HB   ASP  54          1HB       ASP  54   7.209   9.690   3.926
  435    H    ALA  55           H        ALA  55   4.995   6.264   5.172
  436    HA   ALA  55           HA       ALA  55   6.226   7.043   7.730
  437   1HB   ALA  55          1HB       ALA  55   3.466   5.931   7.221
  438   2HB   ALA  55          2HB       ALA  55   3.856   7.629   7.504
  439   3HB   ALA  55          3HB       ALA  55   4.117   6.439   8.780
  440    H    GLU  56           H        GLU  56   6.499   4.735   5.550
  441    HA   GLU  56           HA       GLU  56   6.236   2.368   7.161
  442   1HB   GLU  56          2HB       GLU  56   7.367   2.913   4.423
  443   2HB   GLU  56          1HB       GLU  56   7.462   1.327   5.176
  444   1HG   GLU  56          2HG       GLU  56   4.882   2.803   4.728
  445   2HG   GLU  56          1HG       GLU  56   5.562   1.645   3.585
  446    H    ALA  57           H        ALA  57   7.681   1.639   8.553
  447    HA   ALA  57           HA       ALA  57  10.299   2.810   8.765
  448   1HB   ALA  57          1HB       ALA  57   9.041   2.108  10.754
  449   2HB   ALA  57          2HB       ALA  57  10.606   1.302  10.647
  450   3HB   ALA  57          3HB       ALA  57   9.133   0.432  10.215
  451    HA   PRO  58           HA       PRO  58  12.112   0.018   5.800
  452   1HB   PRO  58          2HB       PRO  58  14.711   0.688   6.277
  453   2HB   PRO  58          1HB       PRO  58  13.615   1.681   5.310
  454   1HG   PRO  58          2HG       PRO  58  14.421   1.990   8.177
  455   2HG   PRO  58          1HG       PRO  58  14.245   3.234   6.924
  456   1HD   PRO  58          2HD       PRO  58  12.351   2.795   8.797
  457   2HD   PRO  58          1HD       PRO  58  11.948   3.311   7.147
  458    H    ALA  59           H        ALA  59  13.235  -1.930   5.820
  459    HA   ALA  59           HA       ALA  59  13.234  -3.400   8.230
  460   1HB   ALA  59          1HB       ALA  59  12.926  -4.462   6.049
  461   2HB   ALA  59          2HB       ALA  59  14.278  -5.185   6.924
  462   3HB   ALA  59          3HB       ALA  59  14.583  -4.047   5.612
  463    H    GLN  60           H        GLN  60  14.520  -2.718   9.822
  464    HA   GLN  60           HA       GLN  60  17.208  -1.806   9.335
  465   1HB   GLN  60          2HB       GLN  60  15.754  -2.375  11.927
  466   2HB   GLN  60          1HB       GLN  60  17.324  -1.596  11.799
  467   1HG   GLN  60          2HG       GLN  60  16.323   0.272  10.615
  468   2HG   GLN  60          1HG       GLN  60  14.748  -0.518  10.672
  469   1HE2  GLN  60          1HE2      GLN  60  17.193   1.150  12.504
  470   2HE2  GLN  60          2HE2      GLN  60  16.221   1.445  13.910
  471    HA   PRO  61           HA       PRO  61  19.234  -5.771   9.581
  472   1HB   PRO  61          2HB       PRO  61  21.643  -4.740  10.519
  473   2HB   PRO  61          1HB       PRO  61  21.196  -4.912   8.820
  474   1HG   PRO  61          2HG       PRO  61  21.090  -2.505  10.576
  475   2HG   PRO  61          1HG       PRO  61  21.508  -2.628   8.857
  476   1HD   PRO  61          2HD       PRO  61  19.115  -1.708   9.661
  477   2HD   PRO  61          1HD       PRO  61  19.290  -2.693   8.192
  478    H    SER  62           H        SER  62  19.580  -7.242  11.187
  479    HA   SER  62           HA       SER  62  18.946  -6.333  13.888
  480   1HB   SER  62          2HB       SER  62  19.115  -9.157  12.814
  481   2HB   SER  62          1HB       SER  62  18.392  -8.645  14.341
  482    HG   SER  62           HG       SER  62  17.266  -7.204  12.441
  483    H    LEU  63           H        LEU  63  20.187  -6.887  15.692
  484    HA   LEU  63           HA       LEU  63  23.022  -7.000  15.108
  485   1HB   LEU  63          2HB       LEU  63  21.532  -6.611  17.706
  486   2HB   LEU  63          1HB       LEU  63  23.275  -6.525  17.531
  487    HG   LEU  63           HG       LEU  63  21.289  -4.670  16.213
  488   1HD1  LEU  63          1HD1      LEU  63  21.407  -4.296  18.599
  489   2HD1  LEU  63          2HD1      LEU  63  22.211  -2.984  17.737
  490   3HD1  LEU  63          3HD1      LEU  63  23.168  -4.238  18.528
  491   1HD2  LEU  63          1HD2      LEU  63  24.305  -4.618  16.232
  492   2HD2  LEU  63          2HD2      LEU  63  23.254  -3.377  15.550
  493   3HD2  LEU  63          3HD2      LEU  63  23.280  -4.994  14.847
  494    H    GLU  64           H        GLU  64  23.941  -8.151  17.493
  495    HA   GLU  64           HA       GLU  64  24.650 -10.127  18.324
  496   1HB   GLU  64          2HB       GLU  64  21.782 -10.769  17.738
  497   2HB   GLU  64          1HB       GLU  64  22.869 -12.032  18.294
  498   1HG   GLU  64          2HG       GLU  64  21.612 -11.074  20.137
  499   2HG   GLU  64          1HG       GLU  64  23.335 -10.762  20.321
  500    H    HIS  65           H        HIS  65  25.048  -9.455  15.562
  501    HA   HIS  65           HA       HIS  65  24.882 -11.681  13.873
  502   1HB   HIS  65          2HB       HIS  65  26.738 -10.585  12.595
  503   2HB   HIS  65          1HB       HIS  65  25.367  -9.534  12.917
  504    HD1  HIS  65           1HD      HIS  65  25.905  -7.314  13.885
  505    HD2  HIS  65           2HD      HIS  65  28.993 -10.048  14.439
  506    HE1  HIS  65           1HE      HIS  65  27.790  -6.014  14.938
  507    HE2  HIS  65           2HE      HIS  65  29.561  -7.733  15.446
  508    H    HIS  66           H        HIS  66  26.223 -13.374  13.447
  509    HA   HIS  66           HA       HIS  66  28.131 -13.988  15.580
  510   1HB   HIS  66          2HB       HIS  66  26.819 -15.748  13.500
  511   2HB   HIS  66          1HB       HIS  66  28.000 -16.319  14.674
  512    HD1  HIS  66           1HD      HIS  66  27.038 -17.243  16.745
  513    HD2  HIS  66           2HD      HIS  66  24.441 -14.579  14.887
  514    HE1  HIS  66           1HE      HIS  66  24.935 -17.263  18.130
  515    HE2  HIS  66           2HE      HIS  66  23.326 -15.752  16.909
  516    H    HIS  67           H        HIS  67  30.201 -14.855  15.101
  517    HA   HIS  67           HA       HIS  67  31.251 -13.915  12.510
  518   1HB   HIS  67          2HB       HIS  67  32.094 -12.883  14.723
  519   2HB   HIS  67          1HB       HIS  67  32.911 -14.421  14.980
  520    HD1  HIS  67           1HD      HIS  67  35.278 -13.532  14.760
  521    HD2  HIS  67           2HD      HIS  67  32.877 -12.645  11.479
  522    HE1  HIS  67           1HE      HIS  67  36.836 -12.621  13.006
  523    HE2  HIS  67           2HE      HIS  67  35.350 -11.997  11.065
  524    H    HIS  68           H        HIS  68  31.726 -15.488  11.121
  525    HA   HIS  68           HA       HIS  68  31.634 -18.236  12.101
  526   1HB   HIS  68          2HB       HIS  68  30.272 -17.262  10.126
  527   2HB   HIS  68          1HB       HIS  68  31.763 -17.415   9.208
  528    HD1  HIS  68           1HD      HIS  68  31.986 -19.561   7.993
  529    HD2  HIS  68           2HD      HIS  68  29.527 -19.912  11.333
  530    HE1  HIS  68           1HE      HIS  68  31.114 -21.921   7.952
  531    HE2  HIS  68           2HE      HIS  68  29.694 -22.143  10.021
  532    H    HIS  69           H        HIS  69  34.063 -16.236  11.993
  533    HA   HIS  69           HA       HIS  69  35.962 -18.349  11.298
  534   1HB   HIS  69          2HB       HIS  69  36.072 -15.496  10.313
  535   2HB   HIS  69          1HB       HIS  69  37.505 -16.517  10.387
  536    HD1  HIS  69           1HD      HIS  69  35.041 -15.452   8.076
  537    HD2  HIS  69           2HD      HIS  69  36.947 -19.072   8.839
  538    HE1  HIS  69           1HE      HIS  69  34.762 -16.822   5.986
  539    HE2  HIS  69           2HE      HIS  69  36.107 -18.912   6.393
  540    H    HIS  70           H        HIS  70  37.916 -18.265  12.518
  541    HA   HIS  70           HA       HIS  70  38.053 -16.196  14.579
  542   1HB   HIS  70          2HB       HIS  70  38.408 -17.815  16.369
  543   2HB   HIS  70          1HB       HIS  70  36.844 -18.090  15.615
  544    HD1  HIS  70           1HD      HIS  70  40.350 -19.518  15.579
  545    HD2  HIS  70           2HD      HIS  70  36.436 -20.663  14.793
  546    HE1  HIS  70           1HE      HIS  70  40.441 -21.998  15.180
  547    HE2  HIS  70           2HE      HIS  70  38.035 -22.696  14.943
  Start of MODEL   10
    1   1H    MET   1          1H        MET   1 -20.530 -11.803  -6.202
    2   2H    MET   1          2H        MET   1 -19.319 -11.187  -5.186
    3   3H    MET   1          3H        MET   1 -19.008 -12.550  -6.142
    4    HA   MET   1           HA       MET   1 -19.629  -9.862  -7.198
    5   1HB   MET   1          2HB       MET   1 -17.013 -11.269  -6.712
    6   2HB   MET   1          1HB       MET   1 -17.162 -10.030  -7.950
    7   1HG   MET   1          2HG       MET   1 -17.783  -9.631  -5.031
    8   2HG   MET   1          1HG       MET   1 -16.260  -9.202  -5.809
    9   1HE   MET   1          1HE       MET   1 -16.499  -6.698  -4.892
   10   2HE   MET   1          2HE       MET   1 -18.013  -7.152  -4.107
   11   3HE   MET   1          3HE       MET   1 -17.947  -5.715  -5.127
   12    H    GLU   2           H        GLU   2 -17.760 -12.754  -8.093
   13    HA   GLU   2           HA       GLU   2 -17.560 -13.922 -10.007
   14   1HB   GLU   2          2HB       GLU   2 -19.969 -14.385  -9.634
   15   2HB   GLU   2          1HB       GLU   2 -20.370 -12.987 -10.622
   16   1HG   GLU   2          2HG       GLU   2 -19.537 -14.005 -12.575
   17   2HG   GLU   2          1HG       GLU   2 -18.729 -15.276 -11.658
   18    H    SER   3           H        SER   3 -19.566 -11.217 -11.205
   19    HA   SER   3           HA       SER   3 -17.579 -10.668 -13.243
   20   1HB   SER   3          2HB       SER   3 -20.128  -9.159 -12.605
   21   2HB   SER   3          1HB       SER   3 -19.177  -9.051 -14.089
   22    HG   SER   3           HG       SER   3 -20.896 -11.083 -13.191
   23    H    ARG   4           H        ARG   4 -15.787  -9.707 -12.462
   24    HA   ARG   4           HA       ARG   4 -15.989  -7.813 -10.289
   25   1HB   ARG   4          2HB       ARG   4 -13.493  -7.755 -10.446
   26   2HB   ARG   4          1HB       ARG   4 -14.172  -9.342 -10.127
   27   1HG   ARG   4          2HG       ARG   4 -13.922  -9.852 -12.559
   28   2HG   ARG   4          1HG       ARG   4 -13.054  -8.324 -12.727
   29   1HD   ARG   4          2HD       ARG   4 -11.440  -9.097 -11.026
   30   2HD   ARG   4          1HD       ARG   4 -12.283 -10.643 -10.962
   31    HE   ARG   4           HE       ARG   4 -10.919  -9.615 -13.374
   32   1HH1  ARG   4          1HH1      ARG   4 -11.902 -12.257 -11.292
   33   2HH1  ARG   4          2HH1      ARG   4 -11.026 -13.461 -12.181
   34   1HH2  ARG   4          1HH2      ARG   4  -9.762 -11.205 -14.559
   35   2HH2  ARG   4          2HH2      ARG   4  -9.803 -12.867 -14.029
   36    H    LEU   5           H        LEU   5 -16.673  -5.885 -10.766
   37    HA   LEU   5           HA       LEU   5 -16.366  -4.658 -13.320
   38   1HB   LEU   5          2HB       LEU   5 -17.238  -3.435 -10.698
   39   2HB   LEU   5          1HB       LEU   5 -17.464  -2.730 -12.288
   40    HG   LEU   5           HG       LEU   5 -18.742  -5.290 -11.312
   41   1HD1  LEU   5          1HD1      LEU   5 -19.651  -3.307 -10.216
   42   2HD1  LEU   5          2HD1      LEU   5 -20.816  -4.010 -11.338
   43   3HD1  LEU   5          3HD1      LEU   5 -19.925  -2.558 -11.790
   44   1HD2  LEU   5          1HD2      LEU   5 -20.038  -5.187 -13.379
   45   2HD2  LEU   5          2HD2      LEU   5 -18.312  -5.318 -13.722
   46   3HD2  LEU   5          3HD2      LEU   5 -19.129  -3.763 -13.887
   47    H    LEU   6           H        LEU   6 -14.653  -4.486 -10.291
   48    HA   LEU   6           HA       LEU   6 -13.092  -2.191 -11.147
   49   1HB   LEU   6          2HB       LEU   6 -12.934  -3.858  -8.633
   50   2HB   LEU   6          1HB       LEU   6 -11.987  -2.417  -8.950
   51    HG   LEU   6           HG       LEU   6 -14.996  -2.505  -8.691
   52   1HD1  LEU   6          1HD1      LEU   6 -13.871  -2.886  -6.562
   53   2HD1  LEU   6          2HD1      LEU   6 -14.631  -1.296  -6.596
   54   3HD1  LEU   6          3HD1      LEU   6 -12.887  -1.443  -6.812
   55   1HD2  LEU   6          1HD2      LEU   6 -14.265  -0.767 -10.228
   56   2HD2  LEU   6          2HD2      LEU   6 -13.109  -0.176  -9.035
   57   3HD2  LEU   6          3HD2      LEU   6 -14.840  -0.059  -8.718
   58    H    ASP   7           H        ASP   7 -11.610  -2.616 -12.629
   59    HA   ASP   7           HA       ASP   7 -10.107  -5.136 -12.475
   60   1HB   ASP   7          2HB       ASP   7 -11.179  -4.848 -14.597
   61   2HB   ASP   7          1HB       ASP   7 -10.572  -3.203 -14.750
   62    H    ILE   8           H        ILE   8  -9.534  -1.695 -13.216
   63    HA   ILE   8           HA       ILE   8  -6.690  -2.033 -13.097
   64    HB   ILE   8           HB       ILE   8  -8.285   0.530 -13.197
   65   1HG1  ILE   8          2HG1      ILE   8  -7.010  -1.065 -15.432
   66   2HG1  ILE   8          1HG1      ILE   8  -8.737  -1.001 -15.094
   67   1HG2  ILE   8          1HG2      ILE   8  -6.195   1.496 -14.079
   68   2HG2  ILE   8          2HG2      ILE   8  -5.378  -0.039 -13.788
   69   3HG2  ILE   8          3HG2      ILE   8  -6.012   0.895 -12.433
   70   1HD1  ILE   8          1HD1      ILE   8  -8.109   0.448 -16.950
   71   2HD1  ILE   8          2HD1      ILE   8  -7.021   1.343 -15.889
   72   3HD1  ILE   8          3HD1      ILE   8  -8.760   1.374 -15.600
   73    H    LEU   9           H        LEU   9  -8.871   0.056 -11.203
   74    HA   LEU   9           HA       LEU   9  -8.879   0.726  -9.037
   75   1HB   LEU   9          2HB       LEU   9  -6.793  -1.420  -8.665
   76   2HB   LEU   9          1HB       LEU   9  -7.453  -0.458  -7.357
   77    HG   LEU   9           HG       LEU   9  -9.055  -2.304  -9.128
   78   1HD1  LEU   9          1HD1      LEU   9  -7.559  -3.551  -7.688
   79   2HD1  LEU   9          2HD1      LEU   9  -9.223  -3.707  -7.123
   80   3HD1  LEU   9          3HD1      LEU   9  -8.106  -2.628  -6.288
   81   1HD2  LEU   9          1HD2      LEU   9 -10.858  -1.907  -7.545
   82   2HD2  LEU   9          2HD2      LEU   9 -10.338  -0.392  -8.284
   83   3HD2  LEU   9          3HD2      LEU   9  -9.838  -0.789  -6.640
   84    H    VAL  10           H        VAL  10  -8.142   2.615  -8.417
   85    HA   VAL  10           HA       VAL  10  -5.274   3.192  -8.534
   86    HB   VAL  10           HB       VAL  10  -5.761   5.494  -9.363
   87   1HG1  VAL  10          1HG1      VAL  10  -6.030   4.882 -11.721
   88   2HG1  VAL  10          2HG1      VAL  10  -6.559   3.268 -11.240
   89   3HG1  VAL  10          3HG1      VAL  10  -4.913   3.797 -10.892
   90   1HG2  VAL  10          1HG2      VAL  10  -7.899   5.920 -10.506
   91   2HG2  VAL  10          2HG2      VAL  10  -8.118   5.634  -8.779
   92   3HG2  VAL  10          3HG2      VAL  10  -8.501   4.361  -9.939
   93    H    CYS  11           H        CYS  11  -4.850   5.354  -7.356
   94    HA   CYS  11           HA       CYS  11  -5.926   5.219  -4.740
   95   1HB   CYS  11          2HB       CYS  11  -3.688   6.075  -5.077
   96   2HB   CYS  11          1HB       CYS  11  -4.292   7.365  -6.110
   97    HG   CYS  11           HG       CYS  11  -3.490   8.440  -3.620
   98    HA   PRO  12           HA       PRO  12  -9.643   7.523  -5.477
   99   1HB   PRO  12          2HB       PRO  12 -10.393   7.905  -2.902
  100   2HB   PRO  12          1HB       PRO  12 -10.533   6.342  -3.715
  101   1HG   PRO  12          2HG       PRO  12  -8.428   7.310  -1.820
  102   2HG   PRO  12          1HG       PRO  12  -9.223   5.728  -1.896
  103   1HD   PRO  12          2HD       PRO  12  -6.743   6.189  -2.910
  104   2HD   PRO  12          1HD       PRO  12  -7.855   4.982  -3.588
  105    H    VAL  13           H        VAL  13  -6.914   8.727  -3.764
  106    HA   VAL  13           HA       VAL  13  -8.061  11.358  -3.327
  107    HB   VAL  13           HB       VAL  13  -5.229  10.423  -2.836
  108   1HG1  VAL  13          1HG1      VAL  13  -5.390  12.830  -3.042
  109   2HG1  VAL  13          2HG1      VAL  13  -5.088  12.382  -1.364
  110   3HG1  VAL  13          3HG1      VAL  13  -6.708  12.867  -1.871
  111   1HG2  VAL  13          1HG2      VAL  13  -5.901  10.253  -0.478
  112   2HG2  VAL  13          2HG2      VAL  13  -6.787   9.130  -1.510
  113   3HG2  VAL  13          3HG2      VAL  13  -7.567  10.608  -0.942
  114    H    CYS  14           H        CYS  14  -4.942  10.389  -4.793
  115    HA   CYS  14           HA       CYS  14  -5.094  12.775  -6.464
  116   1HB   CYS  14          2HB       CYS  14  -2.727  12.322  -6.944
  117   2HB   CYS  14          1HB       CYS  14  -3.035  12.377  -5.211
  118    HG   CYS  14           HG       CYS  14  -2.221  10.004  -4.635
  119    H    LYS  15           H        LYS  15  -5.896   9.540  -6.767
  120    HA   LYS  15           HA       LYS  15  -5.987   7.997  -8.424
  121   1HB   LYS  15          2HB       LYS  15  -6.564  10.555  -9.916
  122   2HB   LYS  15          1HB       LYS  15  -6.692   8.972 -10.670
  123   1HG   LYS  15          2HG       LYS  15  -8.863   9.577  -9.992
  124   2HG   LYS  15          1HG       LYS  15  -8.323   8.355  -8.856
  125   1HD   LYS  15          2HD       LYS  15  -9.263   9.890  -7.436
  126   2HD   LYS  15          1HD       LYS  15  -7.587  10.436  -7.445
  127   1HE   LYS  15          2HE       LYS  15  -9.731  11.558  -9.236
  128   2HE   LYS  15          1HE       LYS  15  -9.311  12.245  -7.671
  129   1HZ   LYS  15          1HZ       LYS  15  -7.095  12.690  -8.474
  130   2HZ   LYS  15          2HZ       LYS  15  -8.228  13.380  -9.529
  131   3HZ   LYS  15          3HZ       LYS  15  -7.436  11.947  -9.960
  132    H    GLY  16           H        GLY  16  -3.501   8.128  -7.810
  133   1HA   GLY  16          2HA       GLY  16  -1.995   8.655 -10.287
  134   2HA   GLY  16          1HA       GLY  16  -1.317   8.786  -8.673
  135    H    ARG  17           H        ARG  17   0.238   7.316  -8.632
  136    HA   ARG  17           HA       ARG  17  -0.125   4.759  -9.995
  137   1HB   ARG  17          2HB       ARG  17   2.318   6.164  -8.909
  138   2HB   ARG  17          1HB       ARG  17   2.355   4.559  -9.631
  139   1HG   ARG  17          2HG       ARG  17   1.881   5.363 -11.750
  140   2HG   ARG  17          1HG       ARG  17   1.211   6.874 -11.133
  141   1HD   ARG  17          2HD       ARG  17   3.432   7.138 -12.199
  142   2HD   ARG  17          1HD       ARG  17   3.388   7.660 -10.517
  143    HE   ARG  17           HE       ARG  17   4.243   4.994 -10.576
  144   1HH1  ARG  17          1HH1      ARG  17   5.359   8.173 -11.561
  145   2HH1  ARG  17          2HH1      ARG  17   7.045   7.759 -11.419
  146   1HH2  ARG  17          1HH2      ARG  17   6.446   4.448 -10.417
  147   2HH2  ARG  17          2HH2      ARG  17   7.663   5.631 -10.788
  148    H    LEU  18           H        LEU  18  -0.824   3.092  -8.825
  149    HA   LEU  18           HA       LEU  18   0.016   2.829  -6.022
  150   1HB   LEU  18          2HB       LEU  18  -1.984   1.258  -7.657
  151   2HB   LEU  18          1HB       LEU  18  -1.583   0.912  -5.988
  152    HG   LEU  18           HG       LEU  18  -2.904   3.434  -6.999
  153   1HD1  LEU  18          1HD1      LEU  18  -4.401   1.547  -7.085
  154   2HD1  LEU  18          2HD1      LEU  18  -4.837   2.575  -5.719
  155   3HD1  LEU  18          3HD1      LEU  18  -3.955   1.073  -5.447
  156   1HD2  LEU  18          1HD2      LEU  18  -2.191   2.554  -4.203
  157   2HD2  LEU  18          2HD2      LEU  18  -3.208   3.938  -4.602
  158   3HD2  LEU  18          3HD2      LEU  18  -1.510   3.924  -5.082
  159    H    GLU  19           H        GLU  19   1.253   1.094  -5.319
  160    HA   GLU  19           HA       GLU  19   2.216  -0.778  -7.363
  161   1HB   GLU  19          2HB       GLU  19   3.870   0.769  -5.365
  162   2HB   GLU  19          1HB       GLU  19   4.458  -0.648  -6.210
  163   1HG   GLU  19          2HG       GLU  19   3.523   1.884  -7.527
  164   2HG   GLU  19          1HG       GLU  19   5.205   1.453  -7.225
  165    H    PHE  20           H        PHE  20   2.000  -2.825  -6.735
  166    HA   PHE  20           HA       PHE  20   1.147  -3.329  -3.993
  167   1HB   PHE  20          2HB       PHE  20  -0.155  -4.300  -5.857
  168   2HB   PHE  20          1HB       PHE  20   1.264  -5.209  -6.365
  169    HD1  PHE  20           1HD      PHE  20  -1.266  -4.841  -3.712
  170    HD2  PHE  20           2HD      PHE  20   1.885  -7.230  -5.286
  171    HE1  PHE  20           1HE      PHE  20  -1.911  -6.678  -2.211
  172    HE2  PHE  20           2HE      PHE  20   1.240  -9.072  -3.788
  173    HZ   PHE  20           HZ       PHE  20  -0.661  -8.797  -2.248
  174    H    GLN  21           H        GLN  21   2.612  -3.802  -2.508
  175    HA   GLN  21           HA       GLN  21   5.058  -5.182  -3.297
  176   1HB   GLN  21          2HB       GLN  21   4.189  -4.004  -0.651
  177   2HB   GLN  21          1HB       GLN  21   5.702  -4.850  -0.904
  178   1HG   GLN  21          2HG       GLN  21   6.209  -3.130  -2.686
  179   2HG   GLN  21          1HG       GLN  21   4.840  -2.221  -2.048
  180   1HE2  GLN  21          1HE2      GLN  21   6.107  -0.522  -1.353
  181   2HE2  GLN  21          2HE2      GLN  21   7.173  -0.641  -0.003
  182    H    ARG  22           H        ARG  22   5.232  -7.315  -3.139
  183    HA   ARG  22           HA       ARG  22   3.087  -8.873  -1.995
  184   1HB   ARG  22          2HB       ARG  22   5.709  -9.692  -3.269
  185   2HB   ARG  22          1HB       ARG  22   4.473 -10.823  -2.736
  186   1HG   ARG  22          2HG       ARG  22   2.885  -9.782  -4.313
  187   2HG   ARG  22          1HG       ARG  22   4.186  -8.741  -4.895
  188   1HD   ARG  22          2HD       ARG  22   5.461 -10.739  -5.557
  189   2HD   ARG  22          1HD       ARG  22   4.133 -11.759  -5.004
  190    HE   ARG  22           HE       ARG  22   2.953 -10.079  -6.796
  191   1HH1  ARG  22          1HH1      ARG  22   5.681 -12.298  -6.930
  192   2HH1  ARG  22          2HH1      ARG  22   5.526 -12.587  -8.639
  193   1HH2  ARG  22          1HH2      ARG  22   2.765 -10.454  -9.051
  194   2HH2  ARG  22          2HH2      ARG  22   3.894 -11.514  -9.844
  195    H    ALA  23           H        ALA  23   4.385  -7.295  -0.059
  196    HA   ALA  23           HA       ALA  23   5.807  -9.295   1.569
  197   1HB   ALA  23          1HB       ALA  23   7.064  -7.221   1.161
  198   2HB   ALA  23          2HB       ALA  23   6.679  -7.422   2.871
  199   3HB   ALA  23          3HB       ALA  23   5.754  -6.288   1.888
  200    H    GLN  24           H        GLN  24   3.841  -6.420   2.340
  201    HA   GLN  24           HA       GLN  24   2.406  -8.022   4.333
  202   1HB   GLN  24          2HB       GLN  24   3.598  -5.843   4.939
  203   2HB   GLN  24          1HB       GLN  24   2.350  -5.015   4.021
  204   1HG   GLN  24          2HG       GLN  24   0.646  -5.897   5.510
  205   2HG   GLN  24          1HG       GLN  24   1.876  -6.779   6.413
  206   1HE2  GLN  24          1HE2      GLN  24   2.301  -3.528   5.138
  207   2HE2  GLN  24          2HE2      GLN  24   2.359  -2.750   6.685
  208    H    ALA  25           H        ALA  25   2.042  -7.486   1.246
  209    HA   ALA  25           HA       ALA  25   0.381  -7.298  -0.279
  210   1HB   ALA  25          1HB       ALA  25  -1.840  -8.100   0.321
  211   2HB   ALA  25          2HB       ALA  25  -1.408  -8.058   2.030
  212   3HB   ALA  25          3HB       ALA  25  -0.590  -9.180   0.941
  213    H    GLU  26           H        GLU  26   0.874  -5.046  -0.393
  214    HA   GLU  26           HA       GLU  26  -1.304  -3.334   0.513
  215   1HB   GLU  26          2HB       GLU  26   0.468  -1.649   1.273
  216   2HB   GLU  26          1HB       GLU  26   0.168  -3.027   2.323
  217   1HG   GLU  26          2HG       GLU  26   2.143  -4.149   1.420
  218   2HG   GLU  26          1HG       GLU  26   2.445  -2.767   0.372
  219    H    LEU  27           H        LEU  27  -1.768  -1.702  -0.852
  220    HA   LEU  27           HA       LEU  27  -0.140  -1.436  -3.274
  221   1HB   LEU  27          2HB       LEU  27  -2.797  -0.163  -2.628
  222   2HB   LEU  27          1HB       LEU  27  -1.997  -0.158  -4.180
  223    HG   LEU  27           HG       LEU  27  -3.001  -2.663  -2.832
  224   1HD1  LEU  27          1HD1      LEU  27  -4.262  -1.041  -5.040
  225   2HD1  LEU  27          2HD1      LEU  27  -4.843  -1.130  -3.377
  226   3HD1  LEU  27          3HD1      LEU  27  -4.855  -2.572  -4.393
  227   1HD2  LEU  27          1HD2      LEU  27  -1.189  -3.027  -4.415
  228   2HD2  LEU  27          2HD2      LEU  27  -2.052  -2.093  -5.638
  229   3HD2  LEU  27          3HD2      LEU  27  -2.714  -3.625  -5.066
  230    H    VAL  28           H        VAL  28   1.569  -0.192  -2.752
  231    HA   VAL  28           HA       VAL  28   1.295   2.120  -1.041
  232    HB   VAL  28           HB       VAL  28   3.687   1.193  -2.647
  233   1HG1  VAL  28          1HG1      VAL  28   3.479   3.133  -0.350
  234   2HG1  VAL  28          2HG1      VAL  28   3.802   3.543  -2.035
  235   3HG1  VAL  28          3HG1      VAL  28   4.977   2.601  -1.116
  236   1HG2  VAL  28          1HG2      VAL  28   4.486   0.239  -0.526
  237   2HG2  VAL  28          2HG2      VAL  28   2.977  -0.506  -1.056
  238   3HG2  VAL  28          3HG2      VAL  28   2.961   0.690   0.241
  239    H    CYS  29           H        CYS  29   0.234   3.805  -1.906
  240    HA   CYS  29           HA       CYS  29   0.525   4.615  -4.630
  241   1HB   CYS  29          2HB       CYS  29  -1.457   5.248  -3.303
  242   2HB   CYS  29          1HB       CYS  29  -0.436   6.209  -2.237
  243    HG   CYS  29           HG       CYS  29  -1.553   8.164  -3.686
  244    H    ASN  30           H        ASN  30   2.289   5.486  -5.471
  245    HA   ASN  30           HA       ASN  30   4.513   6.146  -3.813
  246   1HB   ASN  30          2HB       ASN  30   4.040   6.384  -6.784
  247   2HB   ASN  30          1HB       ASN  30   5.543   6.895  -6.029
  248   1HD2  ASN  30          1HD2      ASN  30   3.728   4.113  -4.894
  249   2HD2  ASN  30          2HD2      ASN  30   4.873   2.932  -5.420
  250    H    ALA  31           H        ALA  31   1.924   7.970  -5.153
  251    HA   ALA  31           HA       ALA  31   3.322  10.492  -5.099
  252   1HB   ALA  31          1HB       ALA  31   1.596  10.025  -6.786
  253   2HB   ALA  31          2HB       ALA  31   1.223  11.457  -5.827
  254   3HB   ALA  31          3HB       ALA  31   0.388   9.939  -5.506
  255    H    ASP  32           H        ASP  32   0.750   8.942  -3.192
  256    HA   ASP  32           HA       ASP  32   0.706  11.220  -1.369
  257   1HB   ASP  32          2HB       ASP  32  -0.979   8.710  -1.274
  258   2HB   ASP  32          1HB       ASP  32  -1.257  10.201  -0.383
  259    H    ARG  33           H        ARG  33   2.348   8.340  -1.666
  260    HA   ARG  33           HA       ARG  33   3.598   7.025  -0.304
  261   1HB   ARG  33          2HB       ARG  33   3.443   9.496   1.400
  262   2HB   ARG  33          1HB       ARG  33   4.377   8.078   1.870
  263   1HG   ARG  33          2HG       ARG  33   5.559   8.265  -0.344
  264   2HG   ARG  33          1HG       ARG  33   4.772   9.832  -0.536
  265   1HD   ARG  33          2HD       ARG  33   6.480   9.076   1.813
  266   2HD   ARG  33          1HD       ARG  33   7.086   9.923   0.393
  267    HE   ARG  33           HE       ARG  33   5.228  10.986   2.401
  268   1HH1  ARG  33          1HH1      ARG  33   7.263  11.479  -0.410
  269   2HH1  ARG  33          2HH1      ARG  33   7.159  13.218  -0.335
  270   1HH2  ARG  33          1HH2      ARG  33   5.125  13.247   2.540
  271   2HH2  ARG  33          2HH2      ARG  33   5.938  14.221   1.349
  272    H    LEU  34           H        LEU  34   0.901   6.545  -0.344
  273    HA   LEU  34           HA       LEU  34   0.338   5.687   2.421
  274   1HB   LEU  34          2HB       LEU  34  -1.543   6.649   0.275
  275   2HB   LEU  34          1HB       LEU  34  -2.100   5.696   1.639
  276    HG   LEU  34           HG       LEU  34  -0.601   8.272   1.994
  277   1HD1  LEU  34          1HD1      LEU  34  -3.586   7.856   1.877
  278   2HD1  LEU  34          2HD1      LEU  34  -2.619   8.715   0.680
  279   3HD1  LEU  34          3HD1      LEU  34  -2.769   9.356   2.317
  280   1HD2  LEU  34          1HD2      LEU  34  -1.675   8.214   4.201
  281   2HD2  LEU  34          2HD2      LEU  34  -0.649   6.808   3.922
  282   3HD2  LEU  34          3HD2      LEU  34  -2.402   6.661   3.791
  283    H    ALA  35           H        ALA  35   0.304   3.597   2.709
  284    HA   ALA  35           HA       ALA  35   0.110   1.829   0.376
  285   1HB   ALA  35          1HB       ALA  35   0.979   1.212   3.200
  286   2HB   ALA  35          2HB       ALA  35   2.053   1.533   1.840
  287   3HB   ALA  35          3HB       ALA  35   1.029   0.098   1.834
  288    H    PHE  36           H        PHE  36  -1.881   1.191  -0.079
  289    HA   PHE  36           HA       PHE  36  -3.913   0.957   1.976
  290   1HB   PHE  36          2HB       PHE  36  -4.035   0.408  -0.996
  291   2HB   PHE  36          1HB       PHE  36  -5.417   0.419   0.092
  292    HD1  PHE  36           2HD      PHE  36  -6.110   2.564   1.169
  293    HD2  PHE  36           1HD      PHE  36  -3.151   2.408  -1.887
  294    HE1  PHE  36           2HE      PHE  36  -6.393   4.974   0.777
  295    HE2  PHE  36           1HE      PHE  36  -3.426   4.825  -2.281
  296    HZ   PHE  36           HZ       PHE  36  -5.053   6.108  -0.947
  297    HA   PRO  37           HA       PRO  37  -2.662  -3.287   2.613
  298   1HB   PRO  37          2HB       PRO  37  -4.865  -3.351   4.546
  299   2HB   PRO  37          1HB       PRO  37  -3.130  -3.530   4.823
  300   1HG   PRO  37          2HG       PRO  37  -4.495  -1.345   5.620
  301   2HG   PRO  37          1HG       PRO  37  -2.806  -1.259   5.083
  302   1HD   PRO  37          2HD       PRO  37  -5.313  -0.581   3.585
  303   2HD   PRO  37          1HD       PRO  37  -3.763   0.286   3.635
  304    H    VAL  38           H        VAL  38  -3.275  -5.031   1.512
  305    HA   VAL  38           HA       VAL  38  -6.022  -5.143   0.508
  306    HB   VAL  38           HB       VAL  38  -3.627  -6.798  -0.305
  307   1HG1  VAL  38          1HG1      VAL  38  -6.308  -6.488  -1.648
  308   2HG1  VAL  38          2HG1      VAL  38  -5.799  -7.886  -0.702
  309   3HG1  VAL  38          3HG1      VAL  38  -4.960  -7.485  -2.202
  310   1HG2  VAL  38          1HG2      VAL  38  -4.876  -4.393  -1.621
  311   2HG2  VAL  38          2HG2      VAL  38  -3.618  -5.407  -2.330
  312   3HG2  VAL  38          3HG2      VAL  38  -3.280  -4.477  -0.868
  313    H    ARG  39           H        ARG  39  -7.457  -6.375   1.497
  314    HA   ARG  39           HA       ARG  39  -6.531  -8.605   3.167
  315   1HB   ARG  39          2HB       ARG  39  -8.912  -6.834   3.209
  316   2HB   ARG  39          1HB       ARG  39  -9.158  -8.501   3.702
  317   1HG   ARG  39          2HG       ARG  39  -7.289  -8.191   5.344
  318   2HG   ARG  39          1HG       ARG  39  -7.326  -6.469   4.945
  319   1HD   ARG  39          2HD       ARG  39  -9.588  -6.277   5.687
  320   2HD   ARG  39          1HD       ARG  39  -9.735  -8.023   5.865
  321    HE   ARG  39           HE       ARG  39  -7.779  -6.602   7.522
  322   1HH1  ARG  39          1HH1      ARG  39 -10.792  -8.369   7.237
  323   2HH1  ARG  39          2HH1      ARG  39 -10.958  -8.603   8.952
  324   1HH2  ARG  39          1HH2      ARG  39  -7.999  -6.901   9.769
  325   2HH2  ARG  39          2HH2      ARG  39  -9.379  -7.763  10.397
  326    H    ASP  40           H        ASP  40  -6.137 -10.053   1.466
  327    HA   ASP  40           HA       ASP  40  -6.611 -11.698  -0.020
  328   1HB   ASP  40          2HB       ASP  40  -7.698 -12.592   2.007
  329   2HB   ASP  40          1HB       ASP  40  -9.204 -11.808   1.539
  330    H    GLY  41           H        GLY  41  -6.677  -9.972  -1.676
  331   1HA   GLY  41          2HA       GLY  41  -7.586  -9.581  -3.783
  332   2HA   GLY  41          1HA       GLY  41  -9.084 -10.317  -3.247
  333    H    VAL  42           H        VAL  42  -9.365  -8.599  -0.897
  334    HA   VAL  42           HA       VAL  42 -10.422  -6.266  -2.333
  335    HB   VAL  42           HB       VAL  42 -11.101  -7.243   0.447
  336   1HG1  VAL  42          1HG1      VAL  42 -13.034  -5.739   0.255
  337   2HG1  VAL  42          2HG1      VAL  42 -12.428  -5.170  -1.300
  338   3HG1  VAL  42          3HG1      VAL  42 -11.508  -4.859   0.174
  339   1HG2  VAL  42          1HG2      VAL  42 -13.194  -8.045  -0.543
  340   2HG2  VAL  42          2HG2      VAL  42 -11.788  -8.863  -1.230
  341   3HG2  VAL  42          3HG2      VAL  42 -12.603  -7.592  -2.144
  342    HA   PRO  43           HA       PRO  43  -7.138  -3.993  -0.258
  343   1HB   PRO  43          2HB       PRO  43  -7.757  -1.807  -2.026
  344   2HB   PRO  43          1HB       PRO  43  -6.343  -2.860  -2.044
  345   1HG   PRO  43          2HG       PRO  43  -8.265  -2.839  -3.998
  346   2HG   PRO  43          1HG       PRO  43  -7.234  -4.235  -3.636
  347   1HD   PRO  43          2HD       PRO  43 -10.059  -3.698  -2.813
  348   2HD   PRO  43          1HD       PRO  43  -9.306  -5.222  -3.331
  349    H    ILE  44           H        ILE  44  -7.349  -2.789   1.511
  350    HA   ILE  44           HA       ILE  44  -9.854  -1.470   2.109
  351    HB   ILE  44           HB       ILE  44  -7.275  -1.504   3.698
  352   1HG1  ILE  44          2HG1      ILE  44  -8.151  -3.765   3.440
  353   2HG1  ILE  44          1HG1      ILE  44  -8.415  -3.217   5.089
  354   1HG2  ILE  44          1HG2      ILE  44  -8.703  -0.838   5.596
  355   2HG2  ILE  44          2HG2      ILE  44 -10.071  -0.692   4.491
  356   3HG2  ILE  44          3HG2      ILE  44  -8.676   0.372   4.313
  357   1HD1  ILE  44          1HD1      ILE  44 -10.477  -3.279   2.904
  358   2HD1  ILE  44          2HD1      ILE  44 -10.744  -2.734   4.560
  359   3HD1  ILE  44          3HD1      ILE  44 -10.338  -4.422   4.240
  360    H    MET  45           H        MET  45 -10.160   0.299   0.903
  361    HA   MET  45           HA       MET  45  -7.958   2.083   0.298
  362   1HB   MET  45          2HB       MET  45 -10.864   2.329  -0.498
  363   2HB   MET  45          1HB       MET  45  -9.499   3.182  -1.204
  364   1HG   MET  45          2HG       MET  45 -10.003   0.219  -1.352
  365   2HG   MET  45          1HG       MET  45 -10.256   1.387  -2.645
  366   1HE   MET  45          1HE       MET  45  -6.622   2.478  -3.528
  367   2HE   MET  45          2HE       MET  45  -7.788   3.291  -2.485
  368   3HE   MET  45          3HE       MET  45  -8.317   2.560  -4.001
  369    H    LEU  46           H        LEU  46  -9.272   1.780   3.025
  370    HA   LEU  46           HA       LEU  46 -10.369   4.439   3.471
  371   1HB   LEU  46          2HB       LEU  46  -9.983   2.110   5.353
  372   2HB   LEU  46          1HB       LEU  46 -10.743   3.631   5.782
  373    HG   LEU  46           HG       LEU  46 -11.782   1.695   3.710
  374   1HD1  LEU  46          1HD1      LEU  46 -12.707   2.268   6.522
  375   2HD1  LEU  46          2HD1      LEU  46 -11.967   0.775   5.945
  376   3HD1  LEU  46          3HD1      LEU  46 -13.558   1.256   5.353
  377   1HD2  LEU  46          1HD2      LEU  46 -12.371   4.000   3.210
  378   2HD2  LEU  46          2HD2      LEU  46 -12.976   4.217   4.853
  379   3HD2  LEU  46          3HD2      LEU  46 -13.785   3.099   3.755
  380    H    GLU  47           H        GLU  47  -9.110   6.068   3.986
  381    HA   GLU  47           HA       GLU  47  -6.340   5.872   4.294
  382   1HB   GLU  47          2HB       GLU  47  -7.328   7.883   3.465
  383   2HB   GLU  47          1HB       GLU  47  -8.292   8.084   4.918
  384   1HG   GLU  47          2HG       GLU  47  -5.392   8.039   5.358
  385   2HG   GLU  47          1HG       GLU  47  -5.981   9.390   4.392
  386    H    ALA  48           H        ALA  48  -8.901   6.078   6.706
  387    HA   ALA  48           HA       ALA  48  -7.212   6.558   8.937
  388   1HB   ALA  48          1HB       ALA  48  -9.626   7.061   8.917
  389   2HB   ALA  48          2HB       ALA  48  -9.150   6.066  10.292
  390   3HB   ALA  48          3HB       ALA  48  -9.963   5.329   8.914
  391    H    GLU  49           H        GLU  49  -7.633   3.784   7.067
  392    HA   GLU  49           HA       GLU  49  -6.540   2.112   9.227
  393   1HB   GLU  49          2HB       GLU  49  -8.499   1.234   7.099
  394   2HB   GLU  49          1HB       GLU  49  -7.753   0.179   8.293
  395   1HG   GLU  49          2HG       GLU  49  -8.819   1.607  10.062
  396   2HG   GLU  49          1HG       GLU  49  -9.708   2.411   8.773
  397    H    ALA  50           H        ALA  50  -5.506   3.680   6.808
  398    HA   ALA  50           HA       ALA  50  -4.199   1.496   5.345
  399   1HB   ALA  50          1HB       ALA  50  -5.324   3.245   4.017
  400   2HB   ALA  50          2HB       ALA  50  -3.592   3.163   3.693
  401   3HB   ALA  50          3HB       ALA  50  -4.238   4.450   4.714
  402    H    ARG  51           H        ARG  51  -1.894   1.697   4.889
  403    HA   ARG  51           HA       ARG  51  -0.480   2.558   7.291
  404   1HB   ARG  51          2HB       ARG  51  -0.026   0.298   6.523
  405   2HB   ARG  51          1HB       ARG  51   0.398   0.892   4.923
  406   1HG   ARG  51          2HG       ARG  51   2.306   2.109   5.935
  407   2HG   ARG  51          1HG       ARG  51   1.907   1.365   7.485
  408   1HD   ARG  51          2HD       ARG  51   2.275  -0.837   6.554
  409   2HD   ARG  51          1HD       ARG  51   2.586  -0.142   4.963
  410    HE   ARG  51           HE       ARG  51   4.315   0.829   7.078
  411   1HH1  ARG  51          1HH1      ARG  51   3.857  -1.594   4.571
  412   2HH1  ARG  51          2HH1      ARG  51   5.555  -1.928   4.415
  413   1HH2  ARG  51          1HH2      ARG  51   6.545   0.412   6.866
  414   2HH2  ARG  51          2HH2      ARG  51   7.083  -0.793   5.727
  415    H    SER  52           H        SER  52  -0.053   4.719   7.184
  416    HA   SER  52           HA       SER  52   0.817   5.918   4.729
  417   1HB   SER  52          2HB       SER  52  -0.391   7.383   6.029
  418   2HB   SER  52          1HB       SER  52   0.448   6.946   7.516
  419    HG   SER  52           HG       SER  52   1.048   9.024   6.565
  420    H    LEU  53           H        LEU  53   2.749   6.403   4.098
  421    HA   LEU  53           HA       LEU  53   5.014   5.399   5.687
  422   1HB   LEU  53          2HB       LEU  53   4.822   6.074   2.746
  423   2HB   LEU  53          1HB       LEU  53   6.281   5.526   3.550
  424    HG   LEU  53           HG       LEU  53   3.734   3.941   3.209
  425   1HD1  LEU  53          1HD1      LEU  53   5.120   2.506   1.782
  426   2HD1  LEU  53          2HD1      LEU  53   6.459   3.637   1.964
  427   3HD1  LEU  53          3HD1      LEU  53   4.982   4.144   1.146
  428   1HD2  LEU  53          1HD2      LEU  53   4.815   3.422   5.334
  429   2HD2  LEU  53          2HD2      LEU  53   6.346   3.157   4.500
  430   3HD2  LEU  53          3HD2      LEU  53   4.981   2.081   4.198
  431    H    ASP  54           H        ASP  54   3.375   8.142   5.190
  432    HA   ASP  54           HA       ASP  54   5.693   9.920   5.164
  433   1HB   ASP  54          2HB       ASP  54   3.649  10.488   3.843
  434   2HB   ASP  54          1HB       ASP  54   2.750  10.609   5.351
  435    H    ALA  55           H        ALA  55   3.282   8.571   7.258
  436    HA   ALA  55           HA       ALA  55   4.140  10.176   9.530
  437   1HB   ALA  55          1HB       ALA  55   2.114   7.942   9.384
  438   2HB   ALA  55          2HB       ALA  55   1.761   9.667   9.287
  439   3HB   ALA  55          3HB       ALA  55   2.408   8.984  10.779
  440    H    GLU  56           H        GLU  56   4.384   6.879   8.299
  441    HA   GLU  56           HA       GLU  56   5.624   5.755  10.584
  442   1HB   GLU  56          2HB       GLU  56   4.541   4.495   8.656
  443   2HB   GLU  56          1HB       GLU  56   5.998   4.828   7.730
  444   1HG   GLU  56          2HG       GLU  56   7.325   3.622   9.393
  445   2HG   GLU  56          1HG       GLU  56   5.857   3.278  10.306
  446    H    ALA  57           H        ALA  57   7.791   5.435  11.062
  447    HA   ALA  57           HA       ALA  57   9.545   7.526  10.384
  448   1HB   ALA  57          1HB       ALA  57  11.215   6.274  11.659
  449   2HB   ALA  57          2HB       ALA  57  10.154   4.867  11.661
  450   3HB   ALA  57          3HB       ALA  57   9.668   6.337  12.505
  451    HA   PRO  58           HA       PRO  58  11.340   6.043   6.625
  452   1HB   PRO  58          2HB       PRO  58  13.740   7.588   7.222
  453   2HB   PRO  58          1HB       PRO  58  12.521   7.861   5.976
  454   1HG   PRO  58          2HG       PRO  58  12.818   9.485   8.132
  455   2HG   PRO  58          1HG       PRO  58  11.264   9.232   7.320
  456   1HD   PRO  58          2HD       PRO  58  12.297   8.033   9.858
  457   2HD   PRO  58          1HD       PRO  58  10.661   8.603   9.463
  458    H    ALA  59           H        ALA  59  11.713   3.882   7.176
  459    HA   ALA  59           HA       ALA  59  14.064   3.158   8.682
  460   1HB   ALA  59          1HB       ALA  59  12.097   1.408   7.210
  461   2HB   ALA  59          2HB       ALA  59  12.013   1.848   8.916
  462   3HB   ALA  59          3HB       ALA  59  13.343   0.852   8.325
  463    H    GLN  60           H        GLN  60  15.898   3.637   7.613
  464    HA   GLN  60           HA       GLN  60  16.288   3.236   4.832
  465   1HB   GLN  60          2HB       GLN  60  18.283   3.555   7.084
  466   2HB   GLN  60          1HB       GLN  60  18.719   3.503   5.384
  467   1HG   GLN  60          2HG       GLN  60  17.274   5.506   5.027
  468   2HG   GLN  60          1HG       GLN  60  17.065   5.592   6.776
  469   1HE2  GLN  60          1HE2      GLN  60  18.068   7.608   6.881
  470   2HE2  GLN  60          2HE2      GLN  60  19.780   7.797   6.684
  471    HA   PRO  61           HA       PRO  61  16.811  -1.151   4.778
  472   1HB   PRO  61          2HB       PRO  61  18.527  -0.654   2.422
  473   2HB   PRO  61          1HB       PRO  61  17.057  -1.624   2.561
  474   1HG   PRO  61          2HG       PRO  61  17.042   0.733   1.291
  475   2HG   PRO  61          1HG       PRO  61  15.661   0.203   2.269
  476   1HD   PRO  61          2HD       PRO  61  17.815   2.168   2.937
  477   2HD   PRO  61          1HD       PRO  61  16.075   2.236   3.290
  478    H    SER  62           H        SER  62  18.111  -1.854   6.367
  479    HA   SER  62           HA       SER  62  20.908  -1.127   6.469
  480   1HB   SER  62          2HB       SER  62  19.415  -1.406   8.512
  481   2HB   SER  62          1HB       SER  62  19.455  -3.140   8.202
  482    HG   SER  62           HG       SER  62  21.484  -1.428   9.082
  483    H    LEU  63           H        LEU  63  22.405  -2.192   5.365
  484    HA   LEU  63           HA       LEU  63  21.684  -4.637   4.001
  485   1HB   LEU  63          2HB       LEU  63  24.156  -2.916   3.863
  486   2HB   LEU  63          1HB       LEU  63  23.951  -4.391   2.943
  487    HG   LEU  63           HG       LEU  63  23.444  -2.689   1.433
  488   1HD1  LEU  63          1HD1      LEU  63  20.800  -3.591   2.550
  489   2HD1  LEU  63          2HD1      LEU  63  21.793  -4.461   1.382
  490   3HD1  LEU  63          3HD1      LEU  63  21.073  -2.913   0.943
  491   1HD2  LEU  63          1HD2      LEU  63  21.772  -1.390   3.570
  492   2HD2  LEU  63          2HD2      LEU  63  21.918  -0.828   1.905
  493   3HD2  LEU  63          3HD2      LEU  63  23.330  -0.832   2.962
  494    H    GLU  64           H        GLU  64  23.317  -6.362   3.790
  495    HA   GLU  64           HA       GLU  64  24.701  -7.967   4.536
  496   1HB   GLU  64          2HB       GLU  64  25.517  -5.799   6.434
  497   2HB   GLU  64          1HB       GLU  64  26.145  -7.434   6.611
  498   1HG   GLU  64          2HG       GLU  64  26.424  -5.644   4.209
  499   2HG   GLU  64          1HG       GLU  64  27.696  -6.106   5.342
  500    H    HIS  65           H        HIS  65  24.087  -9.753   5.390
  501    HA   HIS  65           HA       HIS  65  22.075  -9.919   7.395
  502   1HB   HIS  65          2HB       HIS  65  22.400 -11.621   5.616
  503   2HB   HIS  65          1HB       HIS  65  23.932 -12.075   6.352
  504    HD1  HIS  65           1HD      HIS  65  23.340 -14.427   6.993
  505    HD2  HIS  65           2HD      HIS  65  20.597 -11.644   8.407
  506    HE1  HIS  65           1HE      HIS  65  21.832 -15.698   8.550
  507    HE2  HIS  65           2HE      HIS  65  20.116 -14.023   9.321
  508    H    HIS  66           H        HIS  66  25.516  -9.781   7.400
  509    HA   HIS  66           HA       HIS  66  26.084 -10.777   9.970
  510   1HB   HIS  66          2HB       HIS  66  27.843 -10.331   8.335
  511   2HB   HIS  66          1HB       HIS  66  27.462  -8.616   8.352
  512    HD1  HIS  66           1HD      HIS  66  29.305  -7.428   9.484
  513    HD2  HIS  66           2HD      HIS  66  28.423 -11.052  11.342
  514    HE1  HIS  66           1HE      HIS  66  30.830  -7.560  11.484
  515    HE2  HIS  66           2HE      HIS  66  30.319  -9.781  12.571
  516    H    HIS  67           H        HIS  67  24.991 -10.102  11.712
  517    HA   HIS  67           HA       HIS  67  24.889  -7.217  12.255
  518   1HB   HIS  67          2HB       HIS  67  22.616  -9.086  11.993
  519   2HB   HIS  67          1HB       HIS  67  22.574  -8.058  13.418
  520    HD1  HIS  67           1HD      HIS  67  23.210  -7.477   9.682
  521    HD2  HIS  67           2HD      HIS  67  21.225  -5.797  12.926
  522    HE1  HIS  67           1HE      HIS  67  22.017  -5.459   8.775
  523    HE2  HIS  67           2HE      HIS  67  20.642  -4.603  10.711
  524    H    HIS  68           H        HIS  68  25.131  -6.646  14.379
  525    HA   HIS  68           HA       HIS  68  25.237  -8.710  16.434
  526   1HB   HIS  68          2HB       HIS  68  27.555  -8.402  15.360
  527   2HB   HIS  68          1HB       HIS  68  27.551  -6.796  16.077
  528    HD1  HIS  68           1HD      HIS  68  27.726 -10.442  16.977
  529    HD2  HIS  68           2HD      HIS  68  28.112  -6.723  18.809
  530    HE1  HIS  68           1HE      HIS  68  28.707 -10.899  19.248
  531    HE2  HIS  68           2HE      HIS  68  29.022  -8.633  20.309
  532    H    HIS  69           H        HIS  69  24.830  -7.862  18.523
  533    HA   HIS  69           HA       HIS  69  23.355  -5.424  18.553
  534   1HB   HIS  69          2HB       HIS  69  24.357  -7.044  20.905
  535   2HB   HIS  69          1HB       HIS  69  23.148  -5.774  20.980
  536    HD1  HIS  69           1HD      HIS  69  23.173  -9.136  21.366
  537    HD2  HIS  69           2HD      HIS  69  21.054  -6.720  18.720
  538    HE1  HIS  69           1HE      HIS  69  21.161 -10.485  20.672
  539    HE2  HIS  69           2HE      HIS  69  19.916  -9.028  19.037
  540    H    HIS  70           H        HIS  70  25.806  -6.066  20.975
  541    HA   HIS  70           HA       HIS  70  27.761  -4.255  20.151
  542   1HB   HIS  70          2HB       HIS  70  27.431  -2.454  21.859
  543   2HB   HIS  70          1HB       HIS  70  26.213  -2.451  20.594
  544    HD1  HIS  70           1HD      HIS  70  26.599  -3.644  24.183
  545    HD2  HIS  70           2HD      HIS  70  23.673  -2.370  21.525
  546    HE1  HIS  70           1HE      HIS  70  24.490  -3.446  25.544
  547    HE2  HIS  70           2HE      HIS  70  22.764  -2.535  23.944
  Start of MODEL   11
    1   1H    MET   1          1H        MET   1  -9.841 -14.017  -0.191
    2   2H    MET   1          2H        MET   1  -9.466 -15.605   0.276
    3   3H    MET   1          3H        MET   1 -10.246 -15.317  -1.197
    4    HA   MET   1           HA       MET   1  -7.505 -14.461  -0.491
    5   1HB   MET   1          2HB       MET   1  -6.719 -16.123  -2.038
    6   2HB   MET   1          1HB       MET   1  -7.793 -16.916  -0.898
    7   1HG   MET   1          2HG       MET   1  -8.633 -16.011  -3.640
    8   2HG   MET   1          1HG       MET   1  -8.049 -17.632  -3.272
    9   1HE   MET   1          1HE       MET   1  -9.402 -19.450  -1.972
   10   2HE   MET   1          2HE       MET   1 -10.834 -19.096  -1.004
   11   3HE   MET   1          3HE       MET   1  -9.269 -18.414  -0.554
   12    H    GLU   2           H        GLU   2  -6.363 -14.106  -2.776
   13    HA   GLU   2           HA       GLU   2  -7.696 -11.876  -3.961
   14   1HB   GLU   2          2HB       GLU   2  -5.250 -13.266  -5.056
   15   2HB   GLU   2          1HB       GLU   2  -5.732 -11.595  -5.292
   16   1HG   GLU   2          2HG       GLU   2  -4.096 -11.301  -3.753
   17   2HG   GLU   2          1HG       GLU   2  -5.470 -11.514  -2.670
   18    H    SER   3           H        SER   3  -9.647 -12.981  -4.676
   19    HA   SER   3           HA       SER   3  -9.400 -14.847  -6.886
   20   1HB   SER   3          2HB       SER   3 -11.881 -13.612  -5.670
   21   2HB   SER   3          1HB       SER   3 -11.830 -14.987  -6.771
   22    HG   SER   3           HG       SER   3 -11.524 -14.938  -4.088
   23    H    ARG   4           H        ARG   4  -9.229 -11.590  -6.592
   24    HA   ARG   4           HA       ARG   4 -10.102 -11.192  -9.367
   25   1HB   ARG   4          2HB       ARG   4 -10.446  -9.311  -7.023
   26   2HB   ARG   4          1HB       ARG   4 -10.620  -8.807  -8.700
   27   1HG   ARG   4          2HG       ARG   4 -12.476 -10.298  -9.017
   28   2HG   ARG   4          1HG       ARG   4 -12.252 -10.982  -7.406
   29   1HD   ARG   4          2HD       ARG   4 -12.904  -8.090  -7.956
   30   2HD   ARG   4          1HD       ARG   4 -14.105  -9.323  -7.574
   31    HE   ARG   4           HE       ARG   4 -12.488  -9.563  -5.480
   32   1HH1  ARG   4          1HH1      ARG   4 -13.712  -6.666  -7.034
   33   2HH1  ARG   4          2HH1      ARG   4 -13.742  -5.748  -5.555
   34   1HH2  ARG   4          1HH2      ARG   4 -12.527  -8.342  -3.551
   35   2HH2  ARG   4          2HH2      ARG   4 -13.067  -6.689  -3.590
   36    H    LEU   5           H        LEU   5  -8.355 -10.900 -10.560
   37    HA   LEU   5           HA       LEU   5  -5.882 -10.112  -9.280
   38   1HB   LEU   5          2HB       LEU   5  -4.793 -10.755 -11.382
   39   2HB   LEU   5          1HB       LEU   5  -5.790 -12.039 -10.731
   40    HG   LEU   5           HG       LEU   5  -6.757 -10.231 -12.942
   41   1HD1  LEU   5          1HD1      LEU   5  -5.316 -12.869 -13.197
   42   2HD1  LEU   5          2HD1      LEU   5  -4.677 -11.293 -13.663
   43   3HD1  LEU   5          3HD1      LEU   5  -6.067 -11.968 -14.514
   44   1HD2  LEU   5          1HD2      LEU   5  -8.469 -11.521 -11.757
   45   2HD2  LEU   5          2HD2      LEU   5  -7.569 -13.005 -12.065
   46   3HD2  LEU   5          3HD2      LEU   5  -8.264 -12.102 -13.410
   47    H    LEU   6           H        LEU   6  -6.094  -7.944  -8.892
   48    HA   LEU   6           HA       LEU   6  -6.370  -6.169 -11.194
   49   1HB   LEU   6          2HB       LEU   6  -6.238  -5.651  -8.226
   50   2HB   LEU   6          1HB       LEU   6  -6.137  -4.359  -9.401
   51    HG   LEU   6           HG       LEU   6  -8.368  -4.381  -8.647
   52   1HD1  LEU   6          1HD1      LEU   6  -8.179  -4.080 -11.030
   53   2HD1  LEU   6          2HD1      LEU   6  -9.653  -4.972 -10.651
   54   3HD1  LEU   6          3HD1      LEU   6  -8.245  -5.824 -11.284
   55   1HD2  LEU   6          1HD2      LEU   6  -8.431  -7.348  -9.181
   56   2HD2  LEU   6          2HD2      LEU   6  -9.793  -6.367  -8.643
   57   3HD2  LEU   6          3HD2      LEU   6  -8.390  -6.577  -7.597
   58    H    ASP   7           H        ASP   7  -4.545  -6.053 -12.345
   59    HA   ASP   7           HA       ASP   7  -1.953  -6.383 -11.231
   60   1HB   ASP   7          2HB       ASP   7  -2.842  -5.307 -13.911
   61   2HB   ASP   7          1HB       ASP   7  -1.157  -5.578 -13.473
   62    H    ILE   8           H        ILE   8  -3.827  -3.567 -12.251
   63    HA   ILE   8           HA       ILE   8  -2.115  -1.957 -10.490
   64    HB   ILE   8           HB       ILE   8  -2.532   0.003 -12.028
   65   1HG1  ILE   8          2HG1      ILE   8  -3.232  -2.169 -14.018
   66   2HG1  ILE   8          1HG1      ILE   8  -4.386  -1.040 -13.313
   67   1HG2  ILE   8          1HG2      ILE   8  -0.379  -1.105 -11.886
   68   2HG2  ILE   8          2HG2      ILE   8  -0.703  -0.578 -13.537
   69   3HG2  ILE   8          3HG2      ILE   8  -0.887  -2.277 -13.101
   70   1HD1  ILE   8          1HD1      ILE   8  -3.226   0.818 -14.364
   71   2HD1  ILE   8          2HD1      ILE   8  -3.720  -0.379 -15.562
   72   3HD1  ILE   8          3HD1      ILE   8  -2.038  -0.294 -15.041
   73    H    LEU   9           H        LEU   9  -3.290  -1.197  -8.869
   74    HA   LEU   9           HA       LEU   9  -6.177  -0.986  -9.155
   75   1HB   LEU   9          2HB       LEU   9  -4.794  -1.900  -7.104
   76   2HB   LEU   9          1HB       LEU   9  -4.670  -0.203  -6.686
   77    HG   LEU   9           HG       LEU   9  -7.312  -1.611  -7.094
   78   1HD1  LEU   9          1HD1      LEU   9  -7.477  -1.724  -4.672
   79   2HD1  LEU   9          2HD1      LEU   9  -5.854  -1.054  -4.515
   80   3HD1  LEU   9          3HD1      LEU   9  -6.085  -2.644  -5.244
   81   1HD2  LEU   9          1HD2      LEU   9  -7.423   0.805  -7.329
   82   2HD2  LEU   9          2HD2      LEU   9  -6.583   1.010  -5.792
   83   3HD2  LEU   9          3HD2      LEU   9  -8.196   0.297  -5.828
   84    H    VAL  10           H        VAL  10  -7.202   0.875  -9.512
   85    HA   VAL  10           HA       VAL  10  -5.620   3.348  -9.384
   86    HB   VAL  10           HB       VAL  10  -7.215   4.275 -11.070
   87   1HG1  VAL  10          1HG1      VAL  10  -5.042   3.444 -11.763
   88   2HG1  VAL  10          2HG1      VAL  10  -6.254   3.071 -12.990
   89   3HG1  VAL  10          3HG1      VAL  10  -5.689   1.808 -11.897
   90   1HG2  VAL  10          1HG2      VAL  10  -9.102   2.768 -10.673
   91   2HG2  VAL  10          2HG2      VAL  10  -8.156   1.413 -11.287
   92   3HG2  VAL  10          3HG2      VAL  10  -8.608   2.731 -12.367
   93    H    CYS  11           H        CYS  11  -6.373   5.044  -8.269
   94    HA   CYS  11           HA       CYS  11  -8.518   4.636  -6.420
   95   1HB   CYS  11          2HB       CYS  11  -6.536   5.930  -5.782
   96   2HB   CYS  11          1HB       CYS  11  -6.889   7.111  -7.039
   97    HG   CYS  11           HG       CYS  11  -8.074   6.905  -3.945
   98    HA   PRO  12           HA       PRO  12 -11.655   5.913  -9.321
   99   1HB   PRO  12          2HB       PRO  12 -13.385   6.061  -6.937
  100   2HB   PRO  12          1HB       PRO  12 -13.549   5.065  -8.386
  101   1HG   PRO  12          2HG       PRO  12 -12.837   4.003  -6.029
  102   2HG   PRO  12          1HG       PRO  12 -12.183   3.400  -7.562
  103   1HD   PRO  12          2HD       PRO  12 -10.907   5.193  -5.532
  104   2HD   PRO  12          1HD       PRO  12 -10.196   3.862  -6.470
  105    H    VAL  13           H        VAL  13 -10.593   7.660  -6.577
  106    HA   VAL  13           HA       VAL  13 -12.375   9.885  -6.850
  107    HB   VAL  13           HB       VAL  13  -9.787   9.711  -5.300
  108   1HG1  VAL  13          1HG1      VAL  13 -10.508  12.004  -5.666
  109   2HG1  VAL  13          2HG1      VAL  13 -10.723  11.551  -3.974
  110   3HG1  VAL  13          3HG1      VAL  13 -12.115  11.612  -5.056
  111   1HG2  VAL  13          1HG2      VAL  13 -12.617   9.174  -4.400
  112   2HG2  VAL  13          2HG2      VAL  13 -11.196   9.210  -3.356
  113   3HG2  VAL  13          3HG2      VAL  13 -11.343   7.970  -4.602
  114    H    CYS  14           H        CYS  14  -8.875   9.443  -7.476
  115    HA   CYS  14           HA       CYS  14  -8.987  11.906  -9.085
  116   1HB   CYS  14          2HB       CYS  14  -6.588  10.781  -7.634
  117   2HB   CYS  14          1HB       CYS  14  -6.682  12.323  -8.475
  118    HG   CYS  14           HG       CYS  14  -6.658  12.790  -5.712
  119    H    LYS  15           H        LYS  15  -8.586   8.584  -9.305
  120    HA   LYS  15           HA       LYS  15  -7.533   7.125 -10.694
  121   1HB   LYS  15          2HB       LYS  15  -8.046   9.415 -12.592
  122   2HB   LYS  15          1HB       LYS  15  -7.525   7.815 -13.102
  123   1HG   LYS  15          2HG       LYS  15 -10.053   8.381 -11.571
  124   2HG   LYS  15          1HG       LYS  15  -9.956   8.170 -13.319
  125   1HD   LYS  15          2HD       LYS  15  -9.103   5.906 -13.011
  126   2HD   LYS  15          1HD       LYS  15  -9.149   6.117 -11.260
  127   1HE   LYS  15          2HE       LYS  15 -11.079   4.852 -12.013
  128   2HE   LYS  15          1HE       LYS  15 -11.580   6.411 -11.364
  129   1HZ   LYS  15          1HZ       LYS  15 -11.841   7.250 -13.593
  130   2HZ   LYS  15          2HZ       LYS  15 -12.736   5.816 -13.430
  131   3HZ   LYS  15          3HZ       LYS  15 -11.258   5.803 -14.258
  132    H    GLY  16           H        GLY  16  -5.685   7.915  -9.172
  133   1HA   GLY  16          2HA       GLY  16  -3.508   9.008 -10.825
  134   2HA   GLY  16          1HA       GLY  16  -3.655   9.287  -9.096
  135    H    ARG  17           H        ARG  17  -1.329   8.468  -9.807
  136    HA   ARG  17           HA       ARG  17  -0.915   5.697 -10.165
  137   1HB   ARG  17          2HB       ARG  17   0.727   7.344 -10.837
  138   2HB   ARG  17          1HB       ARG  17   0.893   7.906  -9.183
  139   1HG   ARG  17          2HG       ARG  17   2.781   6.599  -9.613
  140   2HG   ARG  17          1HG       ARG  17   1.727   5.604  -8.612
  141   1HD   ARG  17          2HD       ARG  17   0.994   4.355 -10.528
  142   2HD   ARG  17          1HD       ARG  17   1.876   5.428 -11.618
  143    HE   ARG  17           HE       ARG  17   3.343   3.911  -9.585
  144   1HH1  ARG  17          1HH1      ARG  17   2.622   4.502 -12.955
  145   2HH1  ARG  17          2HH1      ARG  17   4.015   3.635 -13.528
  146   1HH2  ARG  17          1HH2      ARG  17   5.185   2.824 -10.323
  147   2HH2  ARG  17          2HH2      ARG  17   5.465   2.684 -12.035
  148    H    LEU  18           H        LEU  18  -1.408   4.183  -8.712
  149    HA   LEU  18           HA       LEU  18  -0.788   4.689  -5.872
  150   1HB   LEU  18          2HB       LEU  18  -2.461   2.451  -7.026
  151   2HB   LEU  18          1HB       LEU  18  -2.261   2.842  -5.330
  152    HG   LEU  18           HG       LEU  18  -3.747   4.451  -7.401
  153   1HD1  LEU  18          1HD1      LEU  18  -4.656   3.005  -4.916
  154   2HD1  LEU  18          2HD1      LEU  18  -4.938   2.500  -6.583
  155   3HD1  LEU  18          3HD1      LEU  18  -5.675   3.982  -5.977
  156   1HD2  LEU  18          1HD2      LEU  18  -4.316   5.982  -5.586
  157   2HD2  LEU  18          2HD2      LEU  18  -2.578   5.960  -5.893
  158   3HD2  LEU  18          3HD2      LEU  18  -3.240   5.101  -4.502
  159    H    GLU  19           H        GLU  19   0.964   3.666  -5.050
  160    HA   GLU  19           HA       GLU  19   2.034   1.364  -6.532
  161   1HB   GLU  19          2HB       GLU  19   3.566   3.651  -5.294
  162   2HB   GLU  19          1HB       GLU  19   4.297   2.204  -5.963
  163   1HG   GLU  19          2HG       GLU  19   3.336   2.756  -8.153
  164   2HG   GLU  19          1HG       GLU  19   2.674   4.237  -7.461
  165    H    PHE  20           H        PHE  20   2.628  -0.348  -5.361
  166    HA   PHE  20           HA       PHE  20   2.040  -0.340  -2.533
  167   1HB   PHE  20          2HB       PHE  20   1.437  -2.275  -3.958
  168   2HB   PHE  20          1HB       PHE  20   3.144  -2.559  -4.278
  169    HD1  PHE  20           1HD      PHE  20   0.575  -2.529  -1.626
  170    HD2  PHE  20           2HD      PHE  20   4.475  -3.792  -2.767
  171    HE1  PHE  20           1HE      PHE  20   0.688  -3.965   0.366
  172    HE2  PHE  20           2HE      PHE  20   4.595  -5.231  -0.772
  173    HZ   PHE  20           HZ       PHE  20   2.697  -5.317   0.797
  174    H    GLN  21           H        GLN  21   3.536   0.833  -1.437
  175    HA   GLN  21           HA       GLN  21   6.360   0.134  -1.784
  176   1HB   GLN  21          2HB       GLN  21   5.020   2.464  -0.405
  177   2HB   GLN  21          1HB       GLN  21   6.750   2.178  -0.373
  178   1HG   GLN  21          2HG       GLN  21   6.748   2.291  -2.860
  179   2HG   GLN  21          1HG       GLN  21   5.056   2.782  -2.776
  180   1HE2  GLN  21          1HE2      GLN  21   5.450   4.769  -3.688
  181   2HE2  GLN  21          2HE2      GLN  21   6.254   6.044  -2.834
  182    H    ARG  22           H        ARG  22   7.527  -0.783  -0.125
  183    HA   ARG  22           HA       ARG  22   5.848  -1.970   1.928
  184   1HB   ARG  22          2HB       ARG  22   7.818  -3.457   2.339
  185   2HB   ARG  22          1HB       ARG  22   7.117  -3.568   0.733
  186   1HG   ARG  22          2HG       ARG  22   8.920  -2.171  -0.153
  187   2HG   ARG  22          1HG       ARG  22   9.628  -2.070   1.463
  188   1HD   ARG  22          2HD       ARG  22   9.795  -4.548   1.475
  189   2HD   ARG  22          1HD       ARG  22   9.233  -4.557  -0.194
  190    HE   ARG  22           HE       ARG  22  11.335  -2.999  -0.471
  191   1HH1  ARG  22          1HH1      ARG  22  11.007  -5.870   1.512
  192   2HH1  ARG  22          2HH1      ARG  22  12.671  -6.341   1.343
  193   1HH2  ARG  22          1HH2      ARG  22  13.542  -3.615  -0.695
  194   2HH2  ARG  22          2HH2      ARG  22  14.118  -5.061   0.077
  195    H    ALA  23           H        ALA  23   5.708   0.141   2.995
  196    HA   ALA  23           HA       ALA  23   7.893   0.365   4.964
  197   1HB   ALA  23          1HB       ALA  23   5.660   2.323   4.403
  198   2HB   ALA  23          2HB       ALA  23   7.323   2.481   3.832
  199   3HB   ALA  23          3HB       ALA  23   6.972   2.541   5.560
  200    H    GLN  24           H        GLN  24   4.362   0.644   4.745
  201    HA   GLN  24           HA       GLN  24   4.134  -1.258   6.994
  202   1HB   GLN  24          2HB       GLN  24   3.462   1.070   7.643
  203   2HB   GLN  24          1HB       GLN  24   2.260   1.035   6.364
  204   1HG   GLN  24          2HG       GLN  24   1.302  -1.005   7.540
  205   2HG   GLN  24          1HG       GLN  24   2.332  -0.562   8.899
  206   1HE2  GLN  24          1HE2      GLN  24   0.772   1.759   6.767
  207   2HE2  GLN  24          2HE2      GLN  24  -0.305   2.393   7.966
  208    H    ALA  25           H        ALA  25   4.122  -1.132   3.927
  209    HA   ALA  25           HA       ALA  25   3.175  -2.178   2.169
  210   1HB   ALA  25          1HB       ALA  25   3.041  -4.152   3.613
  211   2HB   ALA  25          2HB       ALA  25   1.662  -4.058   2.519
  212   3HB   ALA  25          3HB       ALA  25   1.474  -3.610   4.215
  213    H    GLU  26           H        GLU  26   2.425   0.002   1.720
  214    HA   GLU  26           HA       GLU  26  -0.506   0.062   1.644
  215   1HB   GLU  26          2HB       GLU  26  -0.435   2.526   2.068
  216   2HB   GLU  26          1HB       GLU  26   0.006   1.539   3.453
  217   1HG   GLU  26          2HG       GLU  26   2.172   2.550   1.687
  218   2HG   GLU  26          1HG       GLU  26   1.377   3.683   2.777
  219    H    LEU  27           H        LEU  27  -1.413   1.343  -0.029
  220    HA   LEU  27           HA       LEU  27   0.291   1.541  -2.382
  221   1HB   LEU  27          2HB       LEU  27  -2.670   2.060  -2.114
  222   2HB   LEU  27          1HB       LEU  27  -1.773   1.929  -3.612
  223    HG   LEU  27           HG       LEU  27  -2.181  -0.328  -1.645
  224   1HD1  LEU  27          1HD1      LEU  27  -4.271   0.270  -2.716
  225   2HD1  LEU  27          2HD1      LEU  27  -3.668  -1.252  -3.374
  226   3HD1  LEU  27          3HD1      LEU  27  -3.496   0.240  -4.301
  227   1HD2  LEU  27          1HD2      LEU  27  -1.272  -1.723  -3.448
  228   2HD2  LEU  27          2HD2      LEU  27  -0.100  -0.534  -2.881
  229   3HD2  LEU  27          3HD2      LEU  27  -0.956  -0.273  -4.401
  230    H    VAL  28           H        VAL  28   1.524   3.315  -2.175
  231    HA   VAL  28           HA       VAL  28   0.660   5.746  -0.999
  232    HB   VAL  28           HB       VAL  28   3.053   5.170  -2.754
  233   1HG1  VAL  28          1HG1      VAL  28   3.990   7.253  -1.819
  234   2HG1  VAL  28          2HG1      VAL  28   2.450   7.570  -1.021
  235   3HG1  VAL  28          3HG1      VAL  28   2.541   7.551  -2.780
  236   1HG2  VAL  28          1HG2      VAL  28   4.289   5.080  -0.656
  237   2HG2  VAL  28          2HG2      VAL  28   2.992   3.884  -0.662
  238   3HG2  VAL  28          3HG2      VAL  28   2.806   5.384   0.248
  239    H    CYS  29           H        CYS  29  -0.469   7.332  -1.817
  240    HA   CYS  29           HA       CYS  29  -0.989   7.433  -4.696
  241   1HB   CYS  29          2HB       CYS  29  -2.283   9.133  -2.567
  242   2HB   CYS  29          1HB       CYS  29  -2.902   8.732  -4.166
  243    HG   CYS  29           HG       CYS  29  -2.481   5.935  -2.542
  244    H    ASN  30           H        ASN  30   0.632   8.527  -5.674
  245    HA   ASN  30           HA       ASN  30   2.017  10.654  -4.280
  246   1HB   ASN  30          2HB       ASN  30   2.465   9.486  -7.039
  247   2HB   ASN  30          1HB       ASN  30   3.506  10.678  -6.268
  248   1HD2  ASN  30          1HD2      ASN  30   2.566   7.360  -6.407
  249   2HD2  ASN  30          2HD2      ASN  30   3.782   6.755  -5.343
  250    H    ALA  31           H        ALA  31  -0.443  11.513  -4.535
  251    HA   ALA  31           HA       ALA  31  -0.085  13.842  -6.230
  252   1HB   ALA  31          1HB       ALA  31  -2.310  13.689  -7.230
  253   2HB   ALA  31          2HB       ALA  31  -2.569  12.135  -6.439
  254   3HB   ALA  31          3HB       ALA  31  -1.325  12.295  -7.678
  255    H    ASP  32           H        ASP  32  -2.689  12.291  -4.378
  256    HA   ASP  32           HA       ASP  32  -3.303  14.763  -3.025
  257   1HB   ASP  32          2HB       ASP  32  -4.469  11.984  -2.896
  258   2HB   ASP  32          1HB       ASP  32  -5.006  13.281  -1.834
  259    H    ARG  33           H        ARG  33  -0.853  12.729  -2.583
  260    HA   ARG  33           HA       ARG  33   0.546  12.208  -0.875
  261   1HB   ARG  33          2HB       ARG  33  -0.904  14.561   0.249
  262   2HB   ARG  33          1HB       ARG  33   0.219  13.657   1.256
  263   1HG   ARG  33          2HG       ARG  33   1.955  14.011  -0.511
  264   2HG   ARG  33          1HG       ARG  33   0.820  15.109  -1.307
  265   1HD   ARG  33          2HD       ARG  33   0.798  16.569   0.541
  266   2HD   ARG  33          1HD       ARG  33   1.602  15.387   1.566
  267    HE   ARG  33           HE       ARG  33   3.183  16.219  -0.690
  268   1HH1  ARG  33          1HH1      ARG  33   2.205  17.020   2.568
  269   2HH1  ARG  33          2HH1      ARG  33   3.683  17.851   2.955
  270   1HH2  ARG  33          1HH2      ARG  33   5.140  17.332  -0.201
  271   2HH2  ARG  33          2HH2      ARG  33   5.350  18.034   1.383
  272    H    LEU  34           H        LEU  34  -1.702  10.586  -1.154
  273    HA   LEU  34           HA       LEU  34  -2.367   9.911   1.632
  274   1HB   LEU  34          2HB       LEU  34  -3.876   9.328  -0.914
  275   2HB   LEU  34          1HB       LEU  34  -4.307   8.671   0.653
  276    HG   LEU  34           HG       LEU  34  -4.263  11.609  -0.035
  277   1HD1  LEU  34          1HD1      LEU  34  -6.584   9.714   0.296
  278   2HD1  LEU  34          2HD1      LEU  34  -6.036  10.428  -1.221
  279   3HD1  LEU  34          3HD1      LEU  34  -6.698  11.456   0.049
  280   1HD2  LEU  34          1HD2      LEU  34  -5.409  11.889   2.102
  281   2HD2  LEU  34          2HD2      LEU  34  -3.812  11.174   2.321
  282   3HD2  LEU  34          3HD2      LEU  34  -5.253  10.161   2.416
  283    H    ALA  35           H        ALA  35  -2.918   7.470   1.795
  284    HA   ALA  35           HA       ALA  35  -1.495   5.724   0.004
  285   1HB   ALA  35          1HB       ALA  35   0.345   6.505   1.416
  286   2HB   ALA  35          2HB       ALA  35   0.007   4.796   1.692
  287   3HB   ALA  35          3HB       ALA  35  -0.543   6.002   2.856
  288    H    PHE  36           H        PHE  36  -2.974   4.191  -0.259
  289    HA   PHE  36           HA       PHE  36  -4.872   3.537   1.818
  290   1HB   PHE  36          2HB       PHE  36  -4.444   2.307  -0.918
  291   2HB   PHE  36          1HB       PHE  36  -5.786   1.941   0.158
  292    HD1  PHE  36           2HD      PHE  36  -7.039   4.167   1.013
  293    HD2  PHE  36           1HD      PHE  36  -4.875   3.760  -2.629
  294    HE1  PHE  36           2HE      PHE  36  -8.328   6.023   0.043
  295    HE2  PHE  36           1HE      PHE  36  -6.161   5.614  -3.605
  296    HZ   PHE  36           HZ       PHE  36  -7.891   6.749  -2.267
  297    HA   PRO  37           HA       PRO  37  -1.934   0.584   3.433
  298   1HB   PRO  37          2HB       PRO  37  -3.842   0.124   5.572
  299   2HB   PRO  37          1HB       PRO  37  -2.266   0.913   5.643
  300   1HG   PRO  37          2HG       PRO  37  -4.607   2.256   5.971
  301   2HG   PRO  37          1HG       PRO  37  -3.145   3.000   5.298
  302   1HD   PRO  37          2HD       PRO  37  -5.563   1.947   3.873
  303   2HD   PRO  37          1HD       PRO  37  -4.627   3.428   3.566
  304    H    VAL  38           H        VAL  38  -1.706  -1.551   3.128
  305    HA   VAL  38           HA       VAL  38  -4.059  -3.110   2.411
  306    HB   VAL  38           HB       VAL  38  -1.147  -3.939   2.421
  307   1HG1  VAL  38          1HG1      VAL  38  -2.654  -5.838   2.611
  308   2HG1  VAL  38          2HG1      VAL  38  -1.912  -5.796   1.012
  309   3HG1  VAL  38          3HG1      VAL  38  -3.580  -5.262   1.223
  310   1HG2  VAL  38          1HG2      VAL  38  -1.535  -2.147   0.833
  311   2HG2  VAL  38          2HG2      VAL  38  -2.906  -3.022   0.150
  312   3HG2  VAL  38          3HG2      VAL  38  -1.274  -3.672  -0.012
  313    H    ARG  39           H        ARG  39  -5.161  -3.642   4.196
  314    HA   ARG  39           HA       ARG  39  -3.862  -4.307   6.674
  315   1HB   ARG  39          2HB       ARG  39  -6.091  -3.090   6.368
  316   2HB   ARG  39          1HB       ARG  39  -6.781  -4.659   5.989
  317   1HG   ARG  39          2HG       ARG  39  -6.185  -5.477   8.193
  318   2HG   ARG  39          1HG       ARG  39  -5.418  -3.932   8.570
  319   1HD   ARG  39          2HD       ARG  39  -7.579  -2.803   8.235
  320   2HD   ARG  39          1HD       ARG  39  -8.333  -4.366   7.934
  321    HE   ARG  39           HE       ARG  39  -7.018  -3.770  10.508
  322   1HH1  ARG  39          1HH1      ARG  39  -9.796  -4.795   8.650
  323   2HH1  ARG  39          2HH1      ARG  39 -10.758  -5.192  10.041
  324   1HH2  ARG  39          1HH2      ARG  39  -8.285  -4.227  12.354
  325   2HH2  ARG  39          2HH2      ARG  39  -9.890  -4.880  12.161
  326    H    ASP  40           H        ASP  40  -2.612  -6.074   6.010
  327    HA   ASP  40           HA       ASP  40  -2.053  -8.240   5.754
  328   1HB   ASP  40          2HB       ASP  40  -3.509  -8.685   7.675
  329   2HB   ASP  40          1HB       ASP  40  -4.900  -8.818   6.602
  330    H    GLY  41           H        GLY  41  -5.429  -8.671   4.760
  331   1HA   GLY  41          2HA       GLY  41  -4.457  -9.073   1.999
  332   2HA   GLY  41          1HA       GLY  41  -5.586 -10.196   2.746
  333    H    VAL  42           H        VAL  42  -6.174  -7.072   3.792
  334    HA   VAL  42           HA       VAL  42  -8.201  -6.651   1.691
  335    HB   VAL  42           HB       VAL  42  -8.529  -6.011   4.628
  336   1HG1  VAL  42          1HG1      VAL  42 -10.840  -5.485   4.044
  337   2HG1  VAL  42          2HG1      VAL  42 -10.488  -5.801   2.344
  338   3HG1  VAL  42          3HG1      VAL  42  -9.710  -4.451   3.171
  339   1HG2  VAL  42          1HG2      VAL  42 -10.219  -7.787   4.641
  340   2HG2  VAL  42          2HG2      VAL  42  -8.619  -8.412   4.248
  341   3HG2  VAL  42          3HG2      VAL  42  -9.811  -8.180   2.970
  342    HA   PRO  43           HA       PRO  43  -5.800  -2.798   1.526
  343   1HB   PRO  43          2HB       PRO  43  -7.323  -2.407  -0.947
  344   2HB   PRO  43          1HB       PRO  43  -5.576  -2.499  -0.712
  345   1HG   PRO  43          2HG       PRO  43  -6.962  -4.453  -1.949
  346   2HG   PRO  43          1HG       PRO  43  -5.527  -4.789  -0.962
  347   1HD   PRO  43          2HD       PRO  43  -8.427  -5.093  -0.262
  348   2HD   PRO  43          1HD       PRO  43  -7.061  -6.171   0.106
  349    H    ILE  44           H        ILE  44  -6.483  -1.045   2.583
  350    HA   ILE  44           HA       ILE  44  -9.333  -0.597   2.896
  351    HB   ILE  44           HB       ILE  44  -7.011   0.906   4.118
  352   1HG1  ILE  44          2HG1      ILE  44  -7.033  -1.457   4.793
  353   2HG1  ILE  44          1HG1      ILE  44  -7.457  -0.406   6.138
  354   1HG2  ILE  44          1HG2      ILE  44  -8.691   1.700   5.735
  355   2HG2  ILE  44          2HG2      ILE  44  -9.951   0.905   4.792
  356   3HG2  ILE  44          3HG2      ILE  44  -9.030   2.235   4.090
  357   1HD1  ILE  44          1HD1      ILE  44  -8.840  -2.412   6.078
  358   2HD1  ILE  44          2HD1      ILE  44  -9.406  -1.977   4.465
  359   3HD1  ILE  44          3HD1      ILE  44  -9.806  -0.954   5.845
  360    H    MET  45           H        MET  45 -10.217   0.350   1.145
  361    HA   MET  45           HA       MET  45  -8.831   2.451  -0.283
  362   1HB   MET  45          2HB       MET  45 -11.582   1.256  -0.639
  363   2HB   MET  45          1HB       MET  45 -10.877   2.464  -1.704
  364   1HG   MET  45          2HG       MET  45  -9.713  -0.262  -1.191
  365   2HG   MET  45          1HG       MET  45 -10.714   0.167  -2.575
  366   1HE   MET  45          1HE       MET  45  -8.437   2.866  -4.335
  367   2HE   MET  45          2HE       MET  45  -9.675   3.157  -3.116
  368   3HE   MET  45          3HE       MET  45  -9.972   1.997  -4.410
  369    H    LEU  46           H        LEU  46 -10.805   2.282   2.409
  370    HA   LEU  46           HA       LEU  46 -12.268   4.717   2.083
  371   1HB   LEU  46          2HB       LEU  46 -11.602   3.181   4.595
  372   2HB   LEU  46          1HB       LEU  46 -12.803   4.452   4.457
  373    HG   LEU  46           HG       LEU  46 -12.927   1.795   3.027
  374   1HD1  LEU  46          1HD1      LEU  46 -14.447   2.805   5.427
  375   2HD1  LEU  46          2HD1      LEU  46 -13.202   1.556   5.440
  376   3HD1  LEU  46          3HD1      LEU  46 -14.723   1.274   4.594
  377   1HD2  LEU  46          1HD2      LEU  46 -15.213   2.468   2.482
  378   2HD2  LEU  46          2HD2      LEU  46 -14.036   3.595   1.805
  379   3HD2  LEU  46          3HD2      LEU  46 -14.943   4.029   3.256
  380    H    GLU  47           H        GLU  47 -11.409   6.684   2.157
  381    HA   GLU  47           HA       GLU  47  -8.710   7.171   2.788
  382   1HB   GLU  47          2HB       GLU  47 -10.219   8.596   1.329
  383   2HB   GLU  47          1HB       GLU  47 -10.882   9.263   2.814
  384   1HG   GLU  47          2HG       GLU  47  -8.377   9.732   3.381
  385   2HG   GLU  47          1HG       GLU  47  -8.172   9.602   1.635
  386    H    ALA  48           H        ALA  48 -11.590   7.230   4.739
  387    HA   ALA  48           HA       ALA  48 -10.625   8.786   6.884
  388   1HB   ALA  48          1HB       ALA  48 -12.462   7.831   8.177
  389   2HB   ALA  48          2HB       ALA  48 -12.716   6.615   6.924
  390   3HB   ALA  48          3HB       ALA  48 -13.000   8.319   6.568
  391    H    GLU  49           H        GLU  49 -10.019   5.513   5.959
  392    HA   GLU  49           HA       GLU  49  -8.675   5.031   8.540
  393   1HB   GLU  49          2HB       GLU  49  -9.775   3.034   6.552
  394   2HB   GLU  49          1HB       GLU  49  -8.896   2.617   8.016
  395   1HG   GLU  49          2HG       GLU  49 -10.657   3.650   9.360
  396   2HG   GLU  49          1HG       GLU  49 -11.538   4.050   7.888
  397    H    ALA  50           H        ALA  50  -8.008   6.128   5.635
  398    HA   ALA  50           HA       ALA  50  -5.625   4.521   5.131
  399   1HB   ALA  50          1HB       ALA  50  -6.820   6.805   3.561
  400   2HB   ALA  50          2HB       ALA  50  -6.984   5.084   3.209
  401   3HB   ALA  50          3HB       ALA  50  -5.406   5.860   3.089
  402    H    ARG  51           H        ARG  51  -3.546   5.566   4.922
  403    HA   ARG  51           HA       ARG  51  -3.286   7.670   6.944
  404   1HB   ARG  51          2HB       ARG  51  -1.017   6.949   7.252
  405   2HB   ARG  51          1HB       ARG  51  -2.044   5.526   7.274
  406   1HG   ARG  51          2HG       ARG  51  -1.413   5.150   4.875
  407   2HG   ARG  51          1HG       ARG  51  -0.234   6.451   5.056
  408   1HD   ARG  51          2HD       ARG  51  -0.324   3.811   6.500
  409   2HD   ARG  51          1HD       ARG  51   0.921   4.401   5.403
  410    HE   ARG  51           HE       ARG  51   0.486   5.908   7.862
  411   1HH1  ARG  51          1HH1      ARG  51   2.433   3.581   6.093
  412   2HH1  ARG  51          2HH1      ARG  51   3.795   3.742   7.160
  413   1HH2  ARG  51          1HH2      ARG  51   2.263   6.079   9.285
  414   2HH2  ARG  51          2HH2      ARG  51   3.712   5.175   8.962
  415    H    SER  52           H        SER  52  -2.115   9.540   6.571
  416    HA   SER  52           HA       SER  52  -1.836  10.296   3.780
  417   1HB   SER  52          2HB       SER  52  -2.915  11.915   5.141
  418   2HB   SER  52          1HB       SER  52  -1.644  11.844   6.353
  419    HG   SER  52           HG       SER  52  -1.819  13.338   4.097
  420    H    LEU  53           H        LEU  53   0.089  11.443   3.064
  421    HA   LEU  53           HA       LEU  53   2.491  10.041   3.928
  422   1HB   LEU  53          2HB       LEU  53   2.043  12.030   1.701
  423   2HB   LEU  53          1HB       LEU  53   3.558  11.206   2.008
  424    HG   LEU  53           HG       LEU  53   0.966   9.887   1.195
  425   1HD1  LEU  53          1HD1      LEU  53   3.531  10.325  -0.330
  426   2HD1  LEU  53          2HD1      LEU  53   2.013  11.181  -0.594
  427   3HD1  LEU  53          3HD1      LEU  53   2.115   9.448  -0.908
  428   1HD2  LEU  53          1HD2      LEU  53   2.303   7.848   1.002
  429   2HD2  LEU  53          2HD2      LEU  53   2.301   8.455   2.658
  430   3HD2  LEU  53          3HD2      LEU  53   3.712   8.706   1.629
  431    H    ASP  54           H        ASP  54   0.893  12.894   4.649
  432    HA   ASP  54           HA       ASP  54   3.378  14.256   5.439
  433   1HB   ASP  54          2HB       ASP  54   1.775  15.484   3.962
  434   2HB   ASP  54          1HB       ASP  54   0.589  15.412   5.262
  435    H    ALA  55           H        ALA  55   0.376  12.943   6.606
  436    HA   ALA  55           HA       ALA  55   0.812  13.965   9.297
  437   1HB   ALA  55          1HB       ALA  55  -1.418  12.228   8.244
  438   2HB   ALA  55          2HB       ALA  55  -1.455  13.987   8.353
  439   3HB   ALA  55          3HB       ALA  55  -1.360  13.016   9.822
  440    H    GLU  56           H        GLU  56   2.058  11.510   7.601
  441    HA   GLU  56           HA       GLU  56   2.406   9.838   9.992
  442   1HB   GLU  56          2HB       GLU  56   1.775   8.921   7.189
  443   2HB   GLU  56          1HB       GLU  56   2.480   7.854   8.395
  444   1HG   GLU  56          2HG       GLU  56  -0.119   9.315   8.781
  445   2HG   GLU  56          1HG       GLU  56   0.000   7.684   8.124
  446    H    ALA  57           H        ALA  57   4.337   8.365   9.735
  447    HA   ALA  57           HA       ALA  57   6.447   9.785   8.246
  448   1HB   ALA  57          1HB       ALA  57   6.686   8.255  10.837
  449   2HB   ALA  57          2HB       ALA  57   6.702  10.010  10.664
  450   3HB   ALA  57          3HB       ALA  57   8.009   9.046   9.978
  451    HA   PRO  58           HA       PRO  58   7.260   6.048   5.962
  452   1HB   PRO  58          2HB       PRO  58  10.015   6.327   5.796
  453   2HB   PRO  58          1HB       PRO  58   8.852   7.063   4.688
  454   1HG   PRO  58          2HG       PRO  58  10.261   8.260   7.033
  455   2HG   PRO  58          1HG       PRO  58   9.869   8.990   5.466
  456   1HD   PRO  58          2HD       PRO  58   8.446   9.549   7.671
  457   2HD   PRO  58          1HD       PRO  58   7.676   9.426   6.075
  458    H    ALA  59           H        ALA  59   7.441   4.033   6.691
  459    HA   ALA  59           HA       ALA  59   8.496   3.636   9.363
  460   1HB   ALA  59          1HB       ALA  59   7.060   1.681   7.575
  461   2HB   ALA  59          2HB       ALA  59   6.286   2.734   8.759
  462   3HB   ALA  59          3HB       ALA  59   7.405   1.480   9.292
  463    H    GLN  60           H        GLN  60   9.882   1.863   9.890
  464    HA   GLN  60           HA       GLN  60  12.020   1.533   7.960
  465   1HB   GLN  60          2HB       GLN  60  11.733   0.689  10.852
  466   2HB   GLN  60          1HB       GLN  60  13.150   0.339   9.876
  467   1HG   GLN  60          2HG       GLN  60  13.645   2.232  11.211
  468   2HG   GLN  60          1HG       GLN  60  13.453   2.788   9.554
  469   1HE2  GLN  60          1HE2      GLN  60  13.049   4.882  10.189
  470   2HE2  GLN  60          2HE2      GLN  60  11.557   5.363  10.927
  471    HA   PRO  61           HA       PRO  61  10.540  -2.410   6.608
  472   1HB   PRO  61          2HB       PRO  61  12.814  -3.356   5.473
  473   2HB   PRO  61          1HB       PRO  61  11.841  -2.078   4.734
  474   1HG   PRO  61          2HG       PRO  61  14.350  -1.852   6.353
  475   2HG   PRO  61          1HG       PRO  61  13.891  -0.990   4.874
  476   1HD   PRO  61          2HD       PRO  61  13.682   0.113   7.344
  477   2HD   PRO  61          1HD       PRO  61  12.589   0.528   6.008
  478    H    SER  62           H        SER  62  10.613  -4.594   7.203
  479    HA   SER  62           HA       SER  62  11.868  -5.160   9.715
  480   1HB   SER  62          2HB       SER  62   9.607  -6.050   8.933
  481   2HB   SER  62          1HB       SER  62  10.505  -7.152   7.888
  482    HG   SER  62           HG       SER  62   9.888  -7.506  10.414
  483    H    LEU  63           H        LEU  63  13.843  -5.968  10.013
  484    HA   LEU  63           HA       LEU  63  15.494  -6.573   7.744
  485   1HB   LEU  63          2HB       LEU  63  16.082  -6.785  10.700
  486   2HB   LEU  63          1HB       LEU  63  17.271  -6.906   9.416
  487    HG   LEU  63           HG       LEU  63  15.632  -4.452  10.067
  488   1HD1  LEU  63          1HD1      LEU  63  17.323  -4.909  11.752
  489   2HD1  LEU  63          2HD1      LEU  63  17.773  -3.504  10.782
  490   3HD1  LEU  63          3HD1      LEU  63  18.553  -5.060  10.496
  491   1HD2  LEU  63          1HD2      LEU  63  17.819  -4.890   8.036
  492   2HD2  LEU  63          2HD2      LEU  63  17.093  -3.335   8.440
  493   3HD2  LEU  63          3HD2      LEU  63  16.114  -4.596   7.692
  494    H    GLU  64           H        GLU  64  15.273  -8.447   6.749
  495    HA   GLU  64           HA       GLU  64  14.298 -10.826   7.875
  496   1HB   GLU  64          2HB       GLU  64  16.026 -10.394   5.439
  497   2HB   GLU  64          1HB       GLU  64  15.276 -11.926   5.857
  498   1HG   GLU  64          2HG       GLU  64  13.065 -10.860   5.682
  499   2HG   GLU  64          1HG       GLU  64  13.855  -9.363   5.183
  500    H    HIS  65           H        HIS  65  15.285 -12.597   8.751
  501    HA   HIS  65           HA       HIS  65  18.201 -12.406   9.143
  502   1HB   HIS  65          2HB       HIS  65  16.132 -13.527  11.044
  503   2HB   HIS  65          1HB       HIS  65  17.872 -13.662  11.272
  504    HD1  HIS  65           1HD      HIS  65  19.172 -11.369  11.697
  505    HD2  HIS  65           2HD      HIS  65  15.017 -11.161  11.875
  506    HE1  HIS  65           1HE      HIS  65  18.648  -9.186  12.830
  507    HE2  HIS  65           2HE      HIS  65  16.133  -9.011  12.794
  508    H    HIS  66           H        HIS  66  19.130 -13.809   7.845
  509    HA   HIS  66           HA       HIS  66  17.731 -16.308   7.224
  510   1HB   HIS  66          2HB       HIS  66  20.094 -15.018   5.839
  511   2HB   HIS  66          1HB       HIS  66  19.291 -16.498   5.327
  512    HD1  HIS  66           1HD      HIS  66  16.960 -16.254   4.206
  513    HD2  HIS  66           2HD      HIS  66  18.817 -12.651   5.128
  514    HE1  HIS  66           1HE      HIS  66  15.670 -14.491   2.962
  515    HE2  HIS  66           2HE      HIS  66  16.974 -12.373   3.337
  516    H    HIS  67           H        HIS  67  18.509 -18.232   7.873
  517    HA   HIS  67           HA       HIS  67  20.719 -18.353   9.667
  518   1HB   HIS  67          2HB       HIS  67  18.729 -19.899   9.700
  519   2HB   HIS  67          1HB       HIS  67  19.371 -20.658   8.249
  520    HD1  HIS  67           1HD      HIS  67  20.139 -20.202  11.909
  521    HD2  HIS  67           2HD      HIS  67  21.381 -22.508   8.682
  522    HE1  HIS  67           1HE      HIS  67  21.630 -21.978  12.878
  523    HE2  HIS  67           2HE      HIS  67  22.568 -23.187  10.878
  524    H    HIS  68           H        HIS  68  20.182 -19.218   6.297
  525    HA   HIS  68           HA       HIS  68  22.908 -19.965   5.806
  526   1HB   HIS  68          2HB       HIS  68  20.623 -20.417   4.451
  527   2HB   HIS  68          1HB       HIS  68  21.174 -18.988   3.587
  528    HD1  HIS  68           1HD      HIS  68  21.119 -22.305   2.930
  529    HD2  HIS  68           2HD      HIS  68  24.308 -19.644   3.216
  530    HE1  HIS  68           1HE      HIS  68  23.011 -23.366   1.656
  531    HE2  HIS  68           2HE      HIS  68  24.943 -21.764   1.869
  532    H    HIS  69           H        HIS  69  24.538 -18.671   4.984
  533    HA   HIS  69           HA       HIS  69  24.566 -16.027   5.872
  534   1HB   HIS  69          2HB       HIS  69  26.548 -17.591   5.396
  535   2HB   HIS  69          1HB       HIS  69  26.416 -17.045   3.726
  536    HD1  HIS  69           1HD      HIS  69  27.975 -16.219   6.869
  537    HD2  HIS  69           2HD      HIS  69  26.689 -14.095   3.533
  538    HE1  HIS  69           1HE      HIS  69  29.127 -13.989   7.001
  539    HE2  HIS  69           2HE      HIS  69  28.133 -12.642   5.115
  540    H    HIS  70           H        HIS  70  23.891 -14.198   5.078
  541    HA   HIS  70           HA       HIS  70  23.301 -12.526   3.674
  542   1HB   HIS  70          2HB       HIS  70  25.291 -13.131   2.327
  543   2HB   HIS  70          1HB       HIS  70  24.305 -14.268   1.414
  544    HD1  HIS  70           1HD      HIS  70  22.919 -13.344  -0.485
  545    HD2  HIS  70           2HD      HIS  70  24.626 -10.376   1.872
  546    HE1  HIS  70           1HE      HIS  70  22.486 -11.183  -1.696
  547    HE2  HIS  70           2HE      HIS  70  23.345  -9.395  -0.144
  Start of MODEL   12
    1   1H    MET   1          1H        MET   1 -12.566  -9.861 -18.226
    2   2H    MET   1          2H        MET   1 -11.492  -8.828 -17.425
    3   3H    MET   1          3H        MET   1 -10.913 -10.237 -18.161
    4    HA   MET   1           HA       MET   1 -10.394  -8.265 -19.444
    5   1HB   MET   1          2HB       MET   1 -11.368  -9.041 -21.614
    6   2HB   MET   1          1HB       MET   1 -10.575 -10.300 -20.680
    7   1HG   MET   1          2HG       MET   1 -12.785 -11.074 -19.905
    8   2HG   MET   1          1HG       MET   1 -13.542  -9.846 -20.916
    9   1HE   MET   1          1HE       MET   1 -11.112 -13.415 -22.552
   10   2HE   MET   1          2HE       MET   1 -11.417 -13.129 -20.837
   11   3HE   MET   1          3HE       MET   1 -10.362 -12.043 -21.740
   12    H    GLU   2           H        GLU   2 -13.931  -8.840 -19.541
   13    HA   GLU   2           HA       GLU   2 -14.273  -5.941 -19.858
   14   1HB   GLU   2          2HB       GLU   2 -15.455  -7.381 -21.500
   15   2HB   GLU   2          1HB       GLU   2 -16.315  -8.160 -20.178
   16   1HG   GLU   2          2HG       GLU   2 -17.360  -6.036 -19.598
   17   2HG   GLU   2          1HG       GLU   2 -16.487  -5.245 -20.910
   18    H    SER   3           H        SER   3 -13.954  -5.261 -17.789
   19    HA   SER   3           HA       SER   3 -16.003  -5.793 -15.856
   20   1HB   SER   3          2HB       SER   3 -14.060  -6.493 -14.175
   21   2HB   SER   3          1HB       SER   3 -14.899  -7.694 -15.156
   22    HG   SER   3           HG       SER   3 -12.280  -6.906 -15.220
   23    H    ARG   4           H        ARG   4 -16.383  -3.909 -14.944
   24    HA   ARG   4           HA       ARG   4 -14.122  -2.130 -14.343
   25   1HB   ARG   4          2HB       ARG   4 -15.088  -1.235 -16.358
   26   2HB   ARG   4          1HB       ARG   4 -16.713  -1.365 -15.704
   27   1HG   ARG   4          2HG       ARG   4 -16.287   0.389 -14.133
   28   2HG   ARG   4          1HG       ARG   4 -14.582   0.438 -14.583
   29   1HD   ARG   4          2HD       ARG   4 -15.069   1.309 -16.722
   30   2HD   ARG   4          1HD       ARG   4 -16.786   0.942 -16.563
   31    HE   ARG   4           HE       ARG   4 -16.809   2.689 -14.776
   32   1HH1  ARG   4          1HH1      ARG   4 -14.358   2.755 -17.286
   33   2HH1  ARG   4          2HH1      ARG   4 -14.164   4.477 -17.223
   34   1HH2  ARG   4          1HH2      ARG   4 -16.559   4.955 -14.713
   35   2HH2  ARG   4          2HH2      ARG   4 -15.406   5.728 -15.760
   36    H    LEU   5           H        LEU   5 -14.177  -2.635 -12.184
   37    HA   LEU   5           HA       LEU   5 -16.597  -1.780 -10.731
   38   1HB   LEU   5          2HB       LEU   5 -14.634  -3.954  -9.966
   39   2HB   LEU   5          1HB       LEU   5 -15.900  -3.351  -8.918
   40    HG   LEU   5           HG       LEU   5 -17.510  -4.100 -10.808
   41   1HD1  LEU   5          1HD1      LEU   5 -16.719  -6.000 -12.115
   42   2HD1  LEU   5          2HD1      LEU   5 -15.096  -5.792 -11.458
   43   3HD1  LEU   5          3HD1      LEU   5 -15.793  -4.547 -12.495
   44   1HD2  LEU   5          1HD2      LEU   5 -17.590  -6.362  -9.848
   45   2HD2  LEU   5          2HD2      LEU   5 -17.438  -5.113  -8.613
   46   3HD2  LEU   5          3HD2      LEU   5 -16.032  -6.073  -9.073
   47    H    LEU   6           H        LEU   6 -16.171   0.153  -9.886
   48    HA   LEU   6           HA       LEU   6 -15.135   1.882  -8.837
   49   1HB   LEU   6          2HB       LEU   6 -13.675  -0.426  -7.557
   50   2HB   LEU   6          1HB       LEU   6 -13.375   1.238  -7.105
   51    HG   LEU   6           HG       LEU   6 -14.840   0.367  -5.478
   52   1HD1  LEU   6          1HD1      LEU   6 -16.497   1.944  -7.440
   53   2HD1  LEU   6          2HD1      LEU   6 -15.423   2.605  -6.207
   54   3HD1  LEU   6          3HD1      LEU   6 -16.864   1.708  -5.730
   55   1HD2  LEU   6          1HD2      LEU   6 -15.597  -1.621  -6.660
   56   2HD2  LEU   6          2HD2      LEU   6 -16.609  -0.629  -7.710
   57   3HD2  LEU   6          3HD2      LEU   6 -16.963  -0.733  -5.985
   58    H    ASP   7           H        ASP   7 -14.289   1.277 -11.388
   59    HA   ASP   7           HA       ASP   7 -11.447   0.932 -11.585
   60   1HB   ASP   7          2HB       ASP   7 -13.182   0.128 -13.236
   61   2HB   ASP   7          1HB       ASP   7 -13.393   1.801 -13.729
   62    H    ILE   8           H        ILE   8 -13.350   3.575 -10.873
   63    HA   ILE   8           HA       ILE   8 -11.405   5.465 -12.015
   64    HB   ILE   8           HB       ILE   8 -13.379   7.138 -11.662
   65   1HG1  ILE   8          2HG1      ILE   8 -15.572   5.998 -12.244
   66   2HG1  ILE   8          1HG1      ILE   8 -14.802   4.475 -11.822
   67   1HG2  ILE   8          1HG2      ILE   8 -14.085   6.755 -13.956
   68   2HG2  ILE   8          2HG2      ILE   8 -13.357   5.150 -13.920
   69   3HG2  ILE   8          3HG2      ILE   8 -12.337   6.584 -13.794
   70   1HD1  ILE   8          1HD1      ILE   8 -16.151   5.283  -9.995
   71   2HD1  ILE   8          2HD1      ILE   8 -15.266   6.809  -9.981
   72   3HD1  ILE   8          3HD1      ILE   8 -14.445   5.309  -9.546
   73    H    LEU   9           H        LEU   9 -11.352   4.092  -9.369
   74    HA   LEU   9           HA       LEU   9 -12.014   6.001  -7.366
   75   1HB   LEU   9          2HB       LEU   9 -10.234   3.581  -7.355
   76   2HB   LEU   9          1HB       LEU   9 -10.421   4.602  -5.944
   77    HG   LEU   9           HG       LEU   9 -12.607   3.028  -7.309
   78   1HD1  LEU   9          1HD1      LEU   9 -12.647   1.748  -5.230
   79   2HD1  LEU   9          2HD1      LEU   9 -11.302   2.702  -4.608
   80   3HD1  LEU   9          3HD1      LEU   9 -11.066   1.653  -6.005
   81   1HD2  LEU   9          1HD2      LEU   9 -13.463   5.138  -6.441
   82   2HD2  LEU   9          2HD2      LEU   9 -12.723   4.805  -4.873
   83   3HD2  LEU   9          3HD2      LEU   9 -14.031   3.781  -5.470
   84    H    VAL  10           H        VAL  10 -10.957   7.719  -6.667
   85    HA   VAL  10           HA       VAL  10  -8.091   7.985  -7.289
   86    HB   VAL  10           HB       VAL  10  -8.420  10.446  -7.405
   87   1HG1  VAL  10          1HG1      VAL  10  -9.419  10.500  -9.640
   88   2HG1  VAL  10          2HG1      VAL  10 -10.026   8.861  -9.403
   89   3HG1  VAL  10          3HG1      VAL  10  -8.288   9.161  -9.456
   90   1HG2  VAL  10          1HG2      VAL  10 -10.663  11.365  -7.702
   91   2HG2  VAL  10          2HG2      VAL  10 -10.495  10.601  -6.121
   92   3HG2  VAL  10          3HG2      VAL  10 -11.363   9.773  -7.414
   93    H    CYS  11           H        CYS  11  -6.834   9.102  -5.742
   94    HA   CYS  11           HA       CYS  11  -7.448   8.677  -3.043
   95   1HB   CYS  11          2HB       CYS  11  -5.157   8.913  -3.789
   96   2HB   CYS  11          1HB       CYS  11  -5.468  10.551  -4.354
   97    HG   CYS  11           HG       CYS  11  -4.317   9.616  -1.479
   98    HA   PRO  12           HA       PRO  12 -10.403  11.944  -2.397
   99   1HB   PRO  12          2HB       PRO  12 -10.276  11.944   0.352
  100   2HB   PRO  12          1HB       PRO  12 -11.237  10.814  -0.605
  101   1HG   PRO  12          2HG       PRO  12  -8.542  10.429   0.636
  102   2HG   PRO  12          1HG       PRO  12  -9.909   9.303   0.555
  103   1HD   PRO  12          2HD       PRO  12  -7.795   9.078  -1.081
  104   2HD   PRO  12          1HD       PRO  12  -9.444   8.703  -1.633
  105    H    VAL  13           H        VAL  13  -7.150  11.993  -1.128
  106    HA   VAL  13           HA       VAL  13  -7.406  14.763  -0.273
  107    HB   VAL  13           HB       VAL  13  -4.954  13.005  -0.194
  108   1HG1  VAL  13          1HG1      VAL  13  -4.152  14.609   1.475
  109   2HG1  VAL  13          2HG1      VAL  13  -5.596  15.588   1.221
  110   3HG1  VAL  13          3HG1      VAL  13  -4.436  15.372  -0.089
  111   1HG2  VAL  13          1HG2      VAL  13  -6.776  12.038   1.123
  112   2HG2  VAL  13          2HG2      VAL  13  -6.956  13.562   1.993
  113   3HG2  VAL  13          3HG2      VAL  13  -5.470  12.625   2.151
  114    H    CYS  14           H        CYS  14  -5.006  13.046  -2.310
  115    HA   CYS  14           HA       CYS  14  -4.403  15.608  -3.578
  116   1HB   CYS  14          2HB       CYS  14  -2.603  14.127  -2.642
  117   2HB   CYS  14          1HB       CYS  14  -2.978  12.967  -3.910
  118    HG   CYS  14           HG       CYS  14  -2.140  16.154  -4.748
  119    H    LYS  15           H        LYS  15  -6.666  13.453  -4.161
  120    HA   LYS  15           HA       LYS  15  -7.808  12.612  -5.917
  121   1HB   LYS  15          2HB       LYS  15  -6.720  15.194  -6.977
  122   2HB   LYS  15          1HB       LYS  15  -7.704  14.157  -7.999
  123   1HG   LYS  15          2HG       LYS  15  -9.041  15.872  -6.959
  124   2HG   LYS  15          1HG       LYS  15  -9.530  14.281  -6.398
  125   1HD   LYS  15          2HD       LYS  15  -8.219  14.647  -4.340
  126   2HD   LYS  15          1HD       LYS  15  -7.805  16.264  -4.914
  127   1HE   LYS  15          2HE       LYS  15 -10.159  16.877  -4.926
  128   2HE   LYS  15          1HE       LYS  15 -10.599  15.252  -4.403
  129   1HZ   LYS  15          1HZ       LYS  15  -9.008  17.229  -2.854
  130   2HZ   LYS  15          2HZ       LYS  15  -9.324  15.638  -2.358
  131   3HZ   LYS  15          3HZ       LYS  15 -10.600  16.735  -2.532
  132    H    GLY  16           H        GLY  16  -4.966  11.777  -5.621
  133   1HA   GLY  16          2HA       GLY  16  -3.924  11.287  -8.221
  134   2HA   GLY  16          1HA       GLY  16  -3.432  10.481  -6.737
  135    H    ARG  17           H        ARG  17  -4.674   9.946  -9.685
  136    HA   ARG  17           HA       ARG  17  -6.805   8.168  -9.271
  137   1HB   ARG  17          2HB       ARG  17  -6.041   9.242 -11.442
  138   2HB   ARG  17          1HB       ARG  17  -4.780   8.023 -11.502
  139   1HG   ARG  17          2HG       ARG  17  -6.407   6.264 -11.669
  140   2HG   ARG  17          1HG       ARG  17  -7.726   7.415 -11.429
  141   1HD   ARG  17          2HD       ARG  17  -6.940   8.594 -13.499
  142   2HD   ARG  17          1HD       ARG  17  -5.834   7.251 -13.768
  143    HE   ARG  17           HE       ARG  17  -7.916   5.826 -13.810
  144   1HH1  ARG  17          1HH1      ARG  17  -7.968   9.236 -14.667
  145   2HH1  ARG  17          2HH1      ARG  17  -9.338   9.069 -15.740
  146   1HH2  ARG  17          1HH2      ARG  17  -9.708   5.625 -15.244
  147   2HH2  ARG  17          2HH2      ARG  17 -10.301   7.038 -16.063
  148    H    LEU  18           H        LEU  18  -6.855   6.194  -8.426
  149    HA   LEU  18           HA       LEU  18  -4.447   4.993  -7.441
  150   1HB   LEU  18          2HB       LEU  18  -7.264   3.900  -7.471
  151   2HB   LEU  18          1HB       LEU  18  -5.929   3.275  -6.524
  152    HG   LEU  18           HG       LEU  18  -7.256   5.965  -6.172
  153   1HD1  LEU  18          1HD1      LEU  18  -8.621   4.135  -5.356
  154   2HD1  LEU  18          2HD1      LEU  18  -7.950   5.045  -4.003
  155   3HD1  LEU  18          3HD1      LEU  18  -7.253   3.489  -4.452
  156   1HD2  LEU  18          1HD2      LEU  18  -5.808   6.161  -4.181
  157   2HD2  LEU  18          2HD2      LEU  18  -4.900   6.158  -5.693
  158   3HD2  LEU  18          3HD2      LEU  18  -4.951   4.707  -4.693
  159    H    GLU  19           H        GLU  19  -3.706   2.852  -7.920
  160    HA   GLU  19           HA       GLU  19  -4.509   1.890 -10.581
  161   1HB   GLU  19          2HB       GLU  19  -2.067   3.050  -9.981
  162   2HB   GLU  19          1HB       GLU  19  -1.730   1.327  -9.895
  163   1HG   GLU  19          2HG       GLU  19  -3.014   2.711 -12.237
  164   2HG   GLU  19          1HG       GLU  19  -1.303   2.308 -12.116
  165    H    PHE  20           H        PHE  20  -5.140  -0.131 -10.574
  166    HA   PHE  20           HA       PHE  20  -4.911  -1.656  -8.112
  167   1HB   PHE  20          2HB       PHE  20  -7.117  -1.435  -9.147
  168   2HB   PHE  20          1HB       PHE  20  -6.513  -2.165 -10.629
  169    HD1  PHE  20           1HD      PHE  20  -7.263  -2.814  -7.074
  170    HD2  PHE  20           2HD      PHE  20  -6.424  -4.495 -10.887
  171    HE1  PHE  20           1HE      PHE  20  -7.906  -5.033  -6.231
  172    HE2  PHE  20           2HE      PHE  20  -7.067  -6.720 -10.054
  173    HZ   PHE  20           HZ       PHE  20  -7.810  -6.990  -7.723
  174    H    GLN  21           H        GLN  21  -3.138  -2.867  -7.887
  175    HA   GLN  21           HA       GLN  21  -1.845  -4.034 -10.195
  176   1HB   GLN  21          2HB       GLN  21  -1.232  -4.174  -7.241
  177   2HB   GLN  21          1HB       GLN  21  -0.291  -5.007  -8.467
  178   1HG   GLN  21          2HG       GLN  21   0.114  -2.782  -9.539
  179   2HG   GLN  21          1HG       GLN  21  -0.642  -2.044  -8.129
  180   1HE2  GLN  21          1HE2      GLN  21   2.084  -1.802  -9.144
  181   2HE2  GLN  21          2HE2      GLN  21   3.133  -2.289  -7.857
  182    H    ARG  22           H        ARG  22  -1.709  -6.203 -10.669
  183    HA   ARG  22           HA       ARG  22  -4.022  -7.720  -9.726
  184   1HB   ARG  22          2HB       ARG  22  -3.634  -9.154 -11.657
  185   2HB   ARG  22          1HB       ARG  22  -3.660  -7.467 -12.153
  186   1HG   ARG  22          2HG       ARG  22  -1.131  -7.539 -12.020
  187   2HG   ARG  22          1HG       ARG  22  -1.295  -9.292 -11.890
  188   1HD   ARG  22          2HD       ARG  22  -2.308  -7.569 -14.147
  189   2HD   ARG  22          1HD       ARG  22  -0.892  -8.616 -14.195
  190    HE   ARG  22           HE       ARG  22  -2.940 -10.289 -13.511
  191   1HH1  ARG  22          1HH1      ARG  22  -2.400  -8.008 -16.118
  192   2HH1  ARG  22          2HH1      ARG  22  -3.264  -8.952 -17.300
  193   1HH2  ARG  22          1HH2      ARG  22  -4.137 -11.503 -15.039
  194   2HH2  ARG  22          2HH2      ARG  22  -4.275 -10.933 -16.678
  195    H    ALA  23           H        ALA  23  -1.148  -7.324  -8.514
  196    HA   ALA  23           HA       ALA  23  -0.115  -9.985  -8.338
  197   1HB   ALA  23          1HB       ALA  23   0.550  -7.545  -6.697
  198   2HB   ALA  23          2HB       ALA  23   1.349  -8.035  -8.192
  199   3HB   ALA  23          3HB       ALA  23   1.476  -9.044  -6.751
  200    H    GLN  24           H        GLN  24  -1.077  -7.870  -5.615
  201    HA   GLN  24           HA       GLN  24  -2.399 -10.229  -4.433
  202   1HB   GLN  24          2HB       GLN  24  -0.911  -7.956  -3.137
  203   2HB   GLN  24          1HB       GLN  24  -2.066  -8.920  -2.233
  204   1HG   GLN  24          2HG       GLN  24  -0.089  -9.959  -1.724
  205   2HG   GLN  24          1HG       GLN  24  -0.661 -10.930  -3.077
  206   1HE2  GLN  24          1HE2      GLN  24   1.651  -8.582  -2.003
  207   2HE2  GLN  24          2HE2      GLN  24   2.733  -8.724  -3.350
  208    H    ALA  25           H        ALA  25  -3.151  -7.698  -6.137
  209    HA   ALA  25           HA       ALA  25  -5.083  -6.606  -6.584
  210   1HB   ALA  25          1HB       ALA  25  -6.211  -8.690  -5.933
  211   2HB   ALA  25          2HB       ALA  25  -7.149  -7.256  -5.517
  212   3HB   ALA  25          3HB       ALA  25  -6.264  -8.123  -4.263
  213    H    GLU  26           H        GLU  26  -3.195  -5.248  -5.251
  214    HA   GLU  26           HA       GLU  26  -4.716  -3.668  -3.290
  215   1HB   GLU  26          2HB       GLU  26  -2.517  -2.662  -2.685
  216   2HB   GLU  26          1HB       GLU  26  -2.609  -4.390  -2.375
  217   1HG   GLU  26          2HG       GLU  26  -1.449  -3.388  -4.937
  218   2HG   GLU  26          1HG       GLU  26  -0.487  -3.358  -3.462
  219    H    LEU  27           H        LEU  27  -4.919  -1.437  -3.530
  220    HA   LEU  27           HA       LEU  27  -4.484  -0.480  -6.273
  221   1HB   LEU  27          2HB       LEU  27  -6.120   0.820  -4.094
  222   2HB   LEU  27          1HB       LEU  27  -6.072   1.281  -5.780
  223    HG   LEU  27           HG       LEU  27  -6.968  -1.171  -6.159
  224   1HD1  LEU  27          1HD1      LEU  27  -7.892  -0.574  -3.350
  225   2HD1  LEU  27          2HD1      LEU  27  -6.795  -1.867  -3.831
  226   3HD1  LEU  27          3HD1      LEU  27  -8.474  -1.889  -4.371
  227   1HD2  LEU  27          1HD2      LEU  27  -8.677   1.103  -5.155
  228   2HD2  LEU  27          2HD2      LEU  27  -9.256  -0.295  -6.059
  229   3HD2  LEU  27          3HD2      LEU  27  -8.144   0.845  -6.817
  230    H    VAL  28           H        VAL  28  -2.595   0.475  -6.526
  231    HA   VAL  28           HA       VAL  28  -1.238   1.636  -4.241
  232    HB   VAL  28           HB       VAL  28  -0.278   1.365  -7.095
  233   1HG1  VAL  28          1HG1      VAL  28   0.930   3.078  -5.868
  234   2HG1  VAL  28          2HG1      VAL  28   1.959   1.668  -6.123
  235   3HG1  VAL  28          3HG1      VAL  28   1.223   1.952  -4.544
  236   1HG2  VAL  28          1HG2      VAL  28   0.197  -0.403  -4.699
  237   2HG2  VAL  28          2HG2      VAL  28   0.995  -0.567  -6.264
  238   3HG2  VAL  28          3HG2      VAL  28  -0.746  -0.810  -6.131
  239    H    CYS  29           H        CYS  29  -1.405   3.687  -3.715
  240    HA   CYS  29           HA       CYS  29  -2.270   5.736  -5.515
  241   1HB   CYS  29          2HB       CYS  29  -0.788   6.066  -2.893
  242   2HB   CYS  29          1HB       CYS  29  -1.779   7.270  -3.710
  243    HG   CYS  29           HG       CYS  29  -2.888   4.427  -2.159
  244    H    ASN  30           H        ASN  30  -0.989   6.229  -7.203
  245    HA   ASN  30           HA       ASN  30   1.806   5.649  -7.173
  246   1HB   ASN  30          2HB       ASN  30  -0.002   6.933  -9.215
  247   2HB   ASN  30          1HB       ASN  30   1.724   6.708  -9.488
  248   1HD2  ASN  30          1HD2      ASN  30  -0.706   5.548 -10.772
  249   2HD2  ASN  30          2HD2      ASN  30  -0.455   3.839 -10.711
  250    H    ALA  31           H        ALA  31   0.746   7.812  -5.372
  251    HA   ALA  31           HA       ALA  31   2.535   9.981  -6.223
  252   1HB   ALA  31          1HB       ALA  31   1.426  11.348  -4.517
  253   2HB   ALA  31          2HB       ALA  31   0.433   9.965  -4.054
  254   3HB   ALA  31          3HB       ALA  31   0.256  10.679  -5.657
  255    H    ASP  32           H        ASP  32   1.545   8.606  -3.095
  256    HA   ASP  32           HA       ASP  32   4.282   8.815  -2.115
  257   1HB   ASP  32          2HB       ASP  32   1.713   8.084  -0.696
  258   2HB   ASP  32          1HB       ASP  32   3.281   8.249   0.084
  259    H    ARG  33           H        ARG  33   2.711   6.617  -3.844
  260    HA   ARG  33           HA       ARG  33   2.922   4.408  -4.268
  261   1HB   ARG  33          2HB       ARG  33   5.410   4.828  -2.638
  262   2HB   ARG  33          1HB       ARG  33   5.012   3.287  -3.397
  263   1HG   ARG  33          2HG       ARG  33   4.853   4.479  -5.574
  264   2HG   ARG  33          1HG       ARG  33   5.450   5.928  -4.763
  265   1HD   ARG  33          2HD       ARG  33   6.906   3.310  -4.760
  266   2HD   ARG  33          1HD       ARG  33   7.172   4.558  -5.975
  267    HE   ARG  33           HE       ARG  33   7.850   4.727  -3.112
  268   1HH1  ARG  33          1HH1      ARG  33   7.880   6.175  -6.312
  269   2HH1  ARG  33          2HH1      ARG  33   9.182   7.268  -5.941
  270   1HH2  ARG  33          1HH2      ARG  33   9.562   6.157  -2.628
  271   2HH2  ARG  33          2HH2      ARG  33  10.111   7.288  -3.841
  272    H    LEU  34           H        LEU  34   1.216   5.185  -2.216
  273    HA   LEU  34           HA       LEU  34   1.452   3.128  -0.156
  274   1HB   LEU  34          2HB       LEU  34  -0.297   5.537  -0.515
  275   2HB   LEU  34          1HB       LEU  34  -0.751   4.273   0.612
  276    HG   LEU  34           HG       LEU  34   1.919   5.639   0.750
  277   1HD1  LEU  34          1HD1      LEU  34   0.965   7.075   2.493
  278   2HD1  LEU  34          2HD1      LEU  34  -0.634   6.407   2.166
  279   3HD1  LEU  34          3HD1      LEU  34   0.194   7.359   0.933
  280   1HD2  LEU  34          1HD2      LEU  34   1.855   4.842   3.058
  281   2HD2  LEU  34          2HD2      LEU  34   1.695   3.509   1.916
  282   3HD2  LEU  34          3HD2      LEU  34   0.274   4.116   2.765
  283    H    ALA  35           H        ALA  35   0.638   1.210  -0.567
  284    HA   ALA  35           HA       ALA  35  -1.413   0.927  -2.629
  285   1HB   ALA  35          1HB       ALA  35   0.584  -0.485  -2.775
  286   2HB   ALA  35          2HB       ALA  35  -0.878  -1.451  -2.573
  287   3HB   ALA  35          3HB       ALA  35   0.200  -1.183  -1.203
  288    H    PHE  36           H        PHE  36  -3.440   1.043  -1.999
  289    HA   PHE  36           HA       PHE  36  -4.326   0.323   0.637
  290   1HB   PHE  36          2HB       PHE  36  -5.851   0.989  -1.892
  291   2HB   PHE  36          1HB       PHE  36  -6.621   0.646  -0.350
  292    HD1  PHE  36           2HD      PHE  36  -4.786   2.087   1.487
  293    HD2  PHE  36           1HD      PHE  36  -6.408   3.202  -2.285
  294    HE1  PHE  36           2HE      PHE  36  -4.601   4.461   2.112
  295    HE2  PHE  36           1HE      PHE  36  -6.228   5.574  -1.669
  296    HZ   PHE  36           HZ       PHE  36  -5.327   6.207   0.533
  297    HA   PRO  37           HA       PRO  37  -4.529  -3.952  -0.654
  298   1HB   PRO  37          2HB       PRO  37  -4.834  -4.733   2.077
  299   2HB   PRO  37          1HB       PRO  37  -3.364  -4.769   1.104
  300   1HG   PRO  37          2HG       PRO  37  -3.797  -3.113   3.286
  301   2HG   PRO  37          1HG       PRO  37  -2.576  -2.854   2.029
  302   1HD   PRO  37          2HD       PRO  37  -5.266  -1.599   2.351
  303   2HD   PRO  37          1HD       PRO  37  -3.747  -0.887   1.764
  304    H    VAL  38           H        VAL  38  -6.317  -4.931  -1.387
  305    HA   VAL  38           HA       VAL  38  -8.864  -4.549  -0.091
  306    HB   VAL  38           HB       VAL  38  -8.118  -6.420  -2.351
  307   1HG1  VAL  38          1HG1      VAL  38 -10.520  -6.592  -2.758
  308   2HG1  VAL  38          2HG1      VAL  38 -10.840  -5.573  -1.358
  309   3HG1  VAL  38          3HG1      VAL  38 -10.117  -7.166  -1.140
  310   1HG2  VAL  38          1HG2      VAL  38  -9.247  -4.755  -3.785
  311   2HG2  VAL  38          2HG2      VAL  38  -7.809  -4.107  -2.998
  312   3HG2  VAL  38          3HG2      VAL  38  -9.410  -3.695  -2.386
  313    H    ARG  39           H        ARG  39  -9.194  -5.518   1.785
  314    HA   ARG  39           HA       ARG  39  -7.786  -7.994   2.385
  315   1HB   ARG  39          2HB       ARG  39  -7.857  -6.021   3.970
  316   2HB   ARG  39          1HB       ARG  39  -9.559  -6.379   4.219
  317   1HG   ARG  39          2HG       ARG  39  -9.017  -8.541   5.135
  318   2HG   ARG  39          1HG       ARG  39  -7.308  -8.303   4.770
  319   1HD   ARG  39          2HD       ARG  39  -7.353  -6.307   6.277
  320   2HD   ARG  39          1HD       ARG  39  -8.991  -6.769   6.744
  321    HE   ARG  39           HE       ARG  39  -7.536  -9.025   7.172
  322   1HH1  ARG  39          1HH1      ARG  39  -7.223  -5.701   8.244
  323   2HH1  ARG  39          2HH1      ARG  39  -6.407  -6.132   9.717
  324   1HH2  ARG  39          1HH2      ARG  39  -6.471  -9.591   9.076
  325   2HH2  ARG  39          2HH2      ARG  39  -5.985  -8.358  10.204
  326    H    ASP  40           H        ASP  40  -8.970  -9.265   0.947
  327    HA   ASP  40           HA       ASP  40 -10.673 -10.542   0.151
  328   1HB   ASP  40          2HB       ASP  40  -9.810 -11.757   2.159
  329   2HB   ASP  40          1HB       ASP  40 -11.143 -11.072   3.084
  330    H    GLY  41           H        GLY  41 -11.941  -8.803  -0.670
  331   1HA   GLY  41          2HA       GLY  41 -14.218  -8.359  -1.092
  332   2HA   GLY  41          1HA       GLY  41 -14.589  -8.814   0.565
  333    H    VAL  42           H        VAL  42 -12.616  -7.142   1.820
  334    HA   VAL  42           HA       VAL  42 -14.001  -4.573   1.430
  335    HB   VAL  42           HB       VAL  42 -12.591  -5.590   3.904
  336   1HG1  VAL  42          1HG1      VAL  42 -14.257  -3.110   3.469
  337   2HG1  VAL  42          2HG1      VAL  42 -12.517  -3.165   3.750
  338   3HG1  VAL  42          3HG1      VAL  42 -13.631  -3.663   5.022
  339   1HG2  VAL  42          1HG2      VAL  42 -14.623  -6.855   3.479
  340   2HG2  VAL  42          2HG2      VAL  42 -15.540  -5.361   3.291
  341   3HG2  VAL  42          3HG2      VAL  42 -14.854  -5.783   4.860
  342    HA   PRO  43           HA       PRO  43  -9.908  -3.155   0.150
  343   1HB   PRO  43          2HB       PRO  43 -10.771  -0.784  -0.835
  344   2HB   PRO  43          1HB       PRO  43 -10.899  -2.294  -1.743
  345   1HG   PRO  43          2HG       PRO  43 -12.991  -0.833  -0.189
  346   2HG   PRO  43          1HG       PRO  43 -13.128  -1.668  -1.745
  347   1HD   PRO  43          2HD       PRO  43 -13.951  -2.742   0.630
  348   2HD   PRO  43          1HD       PRO  43 -13.421  -3.715  -0.759
  349    H    ILE  44           H        ILE  44  -8.577  -2.351   1.651
  350    HA   ILE  44           HA       ILE  44  -9.596  -0.672   3.769
  351    HB   ILE  44           HB       ILE  44  -6.749  -1.549   3.242
  352   1HG1  ILE  44          2HG1      ILE  44  -8.157  -3.495   3.590
  353   2HG1  ILE  44          1HG1      ILE  44  -7.173  -3.222   5.028
  354   1HG2  ILE  44          1HG2      ILE  44  -6.851   0.413   4.658
  355   2HG2  ILE  44          2HG2      ILE  44  -6.386  -0.994   5.613
  356   3HG2  ILE  44          3HG2      ILE  44  -8.033  -0.370   5.705
  357   1HD1  ILE  44          1HD1      ILE  44 -10.069  -2.455   4.700
  358   2HD1  ILE  44          2HD1      ILE  44  -9.085  -2.211   6.144
  359   3HD1  ILE  44          3HD1      ILE  44  -9.453  -3.845   5.598
  360    H    MET  45           H        MET  45 -10.042   1.345   3.173
  361    HA   MET  45           HA       MET  45  -8.363   2.742   1.253
  362   1HB   MET  45          2HB       MET  45 -10.875   3.614   2.691
  363   2HB   MET  45          1HB       MET  45 -10.070   4.513   1.412
  364   1HG   MET  45          2HG       MET  45 -11.240   1.760   1.100
  365   2HG   MET  45          1HG       MET  45 -12.046   3.257   0.649
  366   1HE   MET  45          1HE       MET  45  -9.525   4.944  -0.502
  367   2HE   MET  45          2HE       MET  45 -11.137   4.911  -1.217
  368   3HE   MET  45          3HE       MET  45  -9.720   4.585  -2.217
  369    H    LEU  46           H        LEU  46  -8.079   2.153   4.407
  370    HA   LEU  46           HA       LEU  46  -7.325   4.831   5.268
  371   1HB   LEU  46          2HB       LEU  46  -7.228   2.175   6.702
  372   2HB   LEU  46          1HB       LEU  46  -6.804   3.715   7.424
  373    HG   LEU  46           HG       LEU  46  -9.544   2.962   6.396
  374   1HD1  LEU  46          1HD1      LEU  46  -8.971   1.728   8.404
  375   2HD1  LEU  46          2HD1      LEU  46 -10.169   2.970   8.776
  376   3HD1  LEU  46          3HD1      LEU  46  -8.477   3.218   9.204
  377   1HD2  LEU  46          1HD2      LEU  46  -8.606   5.413   7.886
  378   2HD2  LEU  46          2HD2      LEU  46 -10.273   5.041   7.444
  379   3HD2  LEU  46          3HD2      LEU  46  -9.075   5.355   6.187
  380    H    GLU  47           H        GLU  47  -5.354   5.604   4.887
  381    HA   GLU  47           HA       GLU  47  -3.272   3.927   3.892
  382   1HB   GLU  47          2HB       GLU  47  -1.889   6.097   4.150
  383   2HB   GLU  47          1HB       GLU  47  -3.179   6.038   2.963
  384   1HG   GLU  47          2HG       GLU  47  -3.210   8.153   4.102
  385   2HG   GLU  47          1HG       GLU  47  -4.650   7.233   4.528
  386    H    ALA  48           H        ALA  48  -4.343   4.419   6.956
  387    HA   ALA  48           HA       ALA  48  -1.861   4.294   8.368
  388   1HB   ALA  48          1HB       ALA  48  -3.862   5.187   9.434
  389   2HB   ALA  48          2HB       ALA  48  -3.250   3.797  10.330
  390   3HB   ALA  48          3HB       ALA  48  -4.659   3.622   9.282
  391    H    GLU  49           H        GLU  49  -4.074   1.986   6.967
  392    HA   GLU  49           HA       GLU  49  -2.482  -0.221   8.088
  393   1HB   GLU  49          2HB       GLU  49  -5.202  -0.379   6.779
  394   2HB   GLU  49          1HB       GLU  49  -4.367  -1.673   7.625
  395   1HG   GLU  49          2HG       GLU  49  -4.502  -0.262   9.701
  396   2HG   GLU  49          1HG       GLU  49  -5.553   0.828   8.796
  397    H    ALA  50           H        ALA  50  -2.815   1.623   5.378
  398    HA   ALA  50           HA       ALA  50  -2.567  -0.347   3.332
  399   1HB   ALA  50          1HB       ALA  50  -2.071   1.543   1.864
  400   2HB   ALA  50          2HB       ALA  50  -1.910   2.597   3.269
  401   3HB   ALA  50          3HB       ALA  50  -3.473   1.880   2.879
  402    H    ARG  51           H        ARG  51  -0.698  -0.672   1.992
  403    HA   ARG  51           HA       ARG  51   1.763  -0.629   3.593
  404   1HB   ARG  51          2HB       ARG  51   0.940  -2.851   2.876
  405   2HB   ARG  51          1HB       ARG  51   1.062  -2.336   1.199
  406   1HG   ARG  51          2HG       ARG  51   3.516  -1.970   1.590
  407   2HG   ARG  51          1HG       ARG  51   3.306  -2.749   3.160
  408   1HD   ARG  51          2HD       ARG  51   4.076  -4.399   1.614
  409   2HD   ARG  51          1HD       ARG  51   2.380  -4.732   1.967
  410    HE   ARG  51           HE       ARG  51   3.321  -3.415  -0.505
  411   1HH1  ARG  51          1HH1      ARG  51   1.140  -5.542   1.195
  412   2HH1  ARG  51          2HH1      ARG  51   0.245  -5.991  -0.226
  413   1HH2  ARG  51          1HH2      ARG  51   2.179  -4.017  -2.401
  414   2HH2  ARG  51          2HH2      ARG  51   0.848  -5.133  -2.285
  415    H    SER  52           H        SER  52   3.131   0.961   3.073
  416    HA   SER  52           HA       SER  52   3.160   2.084   0.421
  417   1HB   SER  52          2HB       SER  52   3.605   3.644   2.116
  418   2HB   SER  52          1HB       SER  52   4.795   2.605   2.887
  419    HG   SER  52           HG       SER  52   5.063   4.366   0.790
  420    H    LEU  53           H        LEU  53   4.891   2.062  -0.993
  421    HA   LEU  53           HA       LEU  53   6.157  -0.522  -1.163
  422   1HB   LEU  53          2HB       LEU  53   6.391   1.902  -2.953
  423   2HB   LEU  53          1HB       LEU  53   7.015   0.305  -3.323
  424    HG   LEU  53           HG       LEU  53   4.096   1.006  -2.970
  425   1HD1  LEU  53          1HD1      LEU  53   5.054   1.917  -5.029
  426   2HD1  LEU  53          2HD1      LEU  53   3.924   0.606  -5.365
  427   3HD1  LEU  53          3HD1      LEU  53   5.662   0.317  -5.454
  428   1HD2  LEU  53          1HD2      LEU  53   4.604  -1.274  -2.252
  429   2HD2  LEU  53          2HD2      LEU  53   5.411  -1.584  -3.790
  430   3HD2  LEU  53          3HD2      LEU  53   3.675  -1.271  -3.753
  431    H    ASP  54           H        ASP  54   6.966   2.537   0.084
  432    HA   ASP  54           HA       ASP  54   9.838   2.070  -0.055
  433   1HB   ASP  54          2HB       ASP  54   8.229   4.360   1.092
  434   2HB   ASP  54          1HB       ASP  54   9.986   4.291   1.048
  435    H    ALA  55           H        ALA  55   7.209   1.441   1.951
  436    HA   ALA  55           HA       ALA  55   8.603   1.430   4.460
  437   1HB   ALA  55          1HB       ALA  55   6.186   1.761   4.391
  438   2HB   ALA  55          2HB       ALA  55   6.596   0.325   5.331
  439   3HB   ALA  55          3HB       ALA  55   5.978   0.156   3.688
  440    H    GLU  56           H        GLU  56   8.218  -0.740   1.809
  441    HA   GLU  56           HA       GLU  56   9.595  -2.826   3.356
  442   1HB   GLU  56          2HB       GLU  56   7.399  -3.508   2.466
  443   2HB   GLU  56          1HB       GLU  56   7.976  -3.178   0.842
  444   1HG   GLU  56          2HG       GLU  56   9.691  -4.892   1.103
  445   2HG   GLU  56          1HG       GLU  56   9.111  -5.221   2.734
  446    H    ALA  57           H        ALA  57  11.592  -2.189   3.065
  447    HA   ALA  57           HA       ALA  57  12.853  -2.742   0.541
  448   1HB   ALA  57          1HB       ALA  57  13.940  -0.556   0.305
  449   2HB   ALA  57          2HB       ALA  57  12.996   0.062   1.659
  450   3HB   ALA  57          3HB       ALA  57  12.187  -0.418   0.167
  451    HA   PRO  58           HA       PRO  58  15.828  -4.152   3.502
  452   1HB   PRO  58          2HB       PRO  58  17.802  -3.942   1.314
  453   2HB   PRO  58          1HB       PRO  58  17.288  -5.361   2.232
  454   1HG   PRO  58          2HG       PRO  58  16.554  -5.011  -0.321
  455   2HG   PRO  58          1HG       PRO  58  15.469  -5.755   0.868
  456   1HD   PRO  58          2HD       PRO  58  15.466  -2.968  -0.220
  457   2HD   PRO  58          1HD       PRO  58  14.096  -4.045   0.121
  458    H    ALA  59           H        ALA  59  16.228  -2.543   4.932
  459    HA   ALA  59           HA       ALA  59  17.993  -0.344   4.102
  460   1HB   ALA  59          1HB       ALA  59  15.870   0.306   5.129
  461   2HB   ALA  59          2HB       ALA  59  17.240   0.795   6.125
  462   3HB   ALA  59          3HB       ALA  59  16.283  -0.617   6.572
  463    H    GLN  60           H        GLN  60  19.623   0.344   5.738
  464    HA   GLN  60           HA       GLN  60  20.621  -1.931   7.307
  465   1HB   GLN  60          2HB       GLN  60  22.335  -0.051   5.673
  466   2HB   GLN  60          1HB       GLN  60  22.921  -1.349   6.702
  467   1HG   GLN  60          2HG       GLN  60  21.702  -2.959   5.244
  468   2HG   GLN  60          1HG       GLN  60  21.328  -1.615   4.165
  469   1HE2  GLN  60          1HE2      GLN  60  23.790  -3.720   5.376
  470   2HE2  GLN  60          2HE2      GLN  60  25.019  -3.292   4.229
  471    HA   PRO  61           HA       PRO  61  20.625   1.587  10.189
  472   1HB   PRO  61          2HB       PRO  61  19.761  -0.199  12.238
  473   2HB   PRO  61          1HB       PRO  61  18.808   1.044  11.426
  474   1HG   PRO  61          2HG       PRO  61  18.392  -1.693  11.212
  475   2HG   PRO  61          1HG       PRO  61  17.781  -0.470  10.087
  476   1HD   PRO  61          2HD       PRO  61  20.158  -2.260   9.838
  477   2HD   PRO  61          1HD       PRO  61  19.030  -1.697   8.586
  478    H    SER  62           H        SER  62  21.608   1.515  12.549
  479    HA   SER  62           HA       SER  62  24.157   0.155  12.322
  480   1HB   SER  62          2HB       SER  62  23.917   2.555  13.121
  481   2HB   SER  62          1HB       SER  62  23.222   1.904  14.607
  482    HG   SER  62           HG       SER  62  25.829   1.535  13.565
  483    H    LEU  63           H        LEU  63  24.160  -1.931  12.865
  484    HA   LEU  63           HA       LEU  63  22.401  -2.961  14.913
  485   1HB   LEU  63          2HB       LEU  63  24.635  -4.320  13.397
  486   2HB   LEU  63          1HB       LEU  63  23.459  -5.124  14.417
  487    HG   LEU  63           HG       LEU  63  22.835  -3.648  11.857
  488   1HD1  LEU  63          1HD1      LEU  63  22.864  -6.600  12.462
  489   2HD1  LEU  63          2HD1      LEU  63  24.042  -5.736  11.476
  490   3HD1  LEU  63          3HD1      LEU  63  22.367  -5.855  10.943
  491   1HD2  LEU  63          1HD2      LEU  63  20.593  -4.609  12.116
  492   2HD2  LEU  63          2HD2      LEU  63  20.995  -3.518  13.443
  493   3HD2  LEU  63          3HD2      LEU  63  21.060  -5.264  13.686
  494    H    GLU  64           H        GLU  64  22.993  -2.024  16.822
  495    HA   GLU  64           HA       GLU  64  25.794  -1.742  17.459
  496   1HB   GLU  64          2HB       GLU  64  23.333  -0.891  18.985
  497   2HB   GLU  64          1HB       GLU  64  24.989  -0.506  19.441
  498   1HG   GLU  64          2HG       GLU  64  25.264   0.685  17.303
  499   2HG   GLU  64          1HG       GLU  64  23.567   0.368  16.938
  500    H    HIS  65           H        HIS  65  26.735  -3.564  18.075
  501    HA   HIS  65           HA       HIS  65  25.776  -4.641  20.640
  502   1HB   HIS  65          2HB       HIS  65  26.838  -6.770  20.147
  503   2HB   HIS  65          1HB       HIS  65  25.732  -6.378  18.838
  504    HD1  HIS  65           1HD      HIS  65  26.701  -6.235  16.508
  505    HD2  HIS  65           2HD      HIS  65  29.623  -6.544  19.459
  506    HE1  HIS  65           1HE      HIS  65  28.874  -6.601  15.287
  507    HE2  HIS  65           2HE      HIS  65  30.594  -6.942  17.098
  508    H    HIS  66           H        HIS  66  27.313  -4.665  22.301
  509    HA   HIS  66           HA       HIS  66  29.760  -3.186  21.615
  510   1HB   HIS  66          2HB       HIS  66  28.281  -3.429  24.236
  511   2HB   HIS  66          1HB       HIS  66  29.867  -2.668  24.078
  512    HD1  HIS  66           1HD      HIS  66  26.836  -1.410  24.701
  513    HD2  HIS  66           2HD      HIS  66  29.295  -0.890  21.384
  514    HE1  HIS  66           1HE      HIS  66  26.078   0.731  23.623
  515    HE2  HIS  66           2HE      HIS  66  27.503   0.973  21.558
  516    H    HIS  67           H        HIS  67  31.479  -4.280  21.384
  517    HA   HIS  67           HA       HIS  67  31.738  -7.010  22.051
  518   1HB   HIS  67          2HB       HIS  67  32.875  -6.048  20.143
  519   2HB   HIS  67          1HB       HIS  67  33.764  -4.943  21.180
  520    HD1  HIS  67           1HD      HIS  67  33.374  -8.743  21.129
  521    HD2  HIS  67           2HD      HIS  67  36.296  -5.789  21.346
  522    HE1  HIS  67           1HE      HIS  67  35.571  -9.964  21.269
  523    HE2  HIS  67           2HE      HIS  67  37.320  -8.152  21.128
  524    H    HIS  68           H        HIS  68  31.806  -7.656  24.103
  525    HA   HIS  68           HA       HIS  68  33.705  -6.320  25.920
  526   1HB   HIS  68          2HB       HIS  68  31.084  -7.692  26.551
  527   2HB   HIS  68          1HB       HIS  68  32.263  -7.245  27.777
  528    HD1  HIS  68           1HD      HIS  68  29.305  -6.090  27.542
  529    HD2  HIS  68           2HD      HIS  68  32.804  -4.205  26.310
  530    HE1  HIS  68           1HE      HIS  68  28.782  -3.629  27.519
  531    HE2  HIS  68           2HE      HIS  68  30.868  -2.527  26.618
  532    H    HIS  69           H        HIS  69  35.439  -7.518  26.248
  533    HA   HIS  69           HA       HIS  69  35.258 -10.216  27.158
  534   1HB   HIS  69          2HB       HIS  69  35.114 -10.321  24.540
  535   2HB   HIS  69          1HB       HIS  69  36.834  -9.967  24.606
  536    HD1  HIS  69           1HD      HIS  69  34.825 -12.732  24.122
  537    HD2  HIS  69           2HD      HIS  69  37.966 -11.993  26.750
  538    HE1  HIS  69           1HE      HIS  69  35.683 -14.994  24.807
  539    HE2  HIS  69           2HE      HIS  69  37.690 -14.520  26.252
  540    H    HIS  70           H        HIS  70  37.313  -7.751  25.693
  541    HA   HIS  70           HA       HIS  70  38.943  -7.678  28.065
  542   1HB   HIS  70          2HB       HIS  70  41.066  -8.031  27.010
  543   2HB   HIS  70          1HB       HIS  70  40.058  -9.415  26.621
  544    HD1  HIS  70           1HD      HIS  70  41.383  -6.234  25.018
  545    HD2  HIS  70           2HD      HIS  70  39.813  -9.938  23.958
  546    HE1  HIS  70           1HE      HIS  70  41.714  -6.426  22.535
  547    HE2  HIS  70           2HE      HIS  70  40.988  -8.773  21.972
  Start of MODEL   13
    1   1H    MET   1          1H        MET   1 -14.432 -18.268 -17.920
    2   2H    MET   1          2H        MET   1 -15.638 -19.147 -17.126
    3   3H    MET   1          3H        MET   1 -14.555 -19.943 -18.165
    4    HA   MET   1           HA       MET   1 -14.014 -20.347 -15.853
    5   1HB   MET   1          2HB       MET   1 -12.232 -20.238 -17.595
    6   2HB   MET   1          1HB       MET   1 -12.012 -18.538 -17.219
    7   1HG   MET   1          2HG       MET   1 -10.296 -19.580 -16.068
    8   2HG   MET   1          1HG       MET   1 -11.519 -19.312 -14.832
    9   1HE   MET   1          1HE       MET   1 -13.591 -21.568 -14.953
   10   2HE   MET   1          2HE       MET   1 -12.694 -21.152 -13.494
   11   3HE   MET   1          3HE       MET   1 -12.817 -22.838 -14.009
   12    H    GLU   2           H        GLU   2 -14.460 -19.580 -13.891
   13    HA   GLU   2           HA       GLU   2 -14.972 -16.789 -13.499
   14   1HB   GLU   2          2HB       GLU   2 -16.311 -18.548 -12.383
   15   2HB   GLU   2          1HB       GLU   2 -14.889 -19.022 -11.463
   16   1HG   GLU   2          2HG       GLU   2 -14.827 -16.776 -10.453
   17   2HG   GLU   2          1HG       GLU   2 -16.300 -16.367 -11.332
   18    H    SER   3           H        SER   3 -12.849 -16.012 -14.052
   19    HA   SER   3           HA       SER   3 -10.790 -16.425 -12.010
   20   1HB   SER   3          2HB       SER   3 -10.590 -14.880 -14.605
   21   2HB   SER   3          1HB       SER   3  -9.259 -15.417 -13.582
   22    HG   SER   3           HG       SER   3  -9.866 -17.582 -14.072
   23    H    ARG   4           H        ARG   4 -11.466 -15.180 -10.292
   24    HA   ARG   4           HA       ARG   4 -12.221 -12.395 -10.852
   25   1HB   ARG   4          2HB       ARG   4 -12.622 -13.966  -8.303
   26   2HB   ARG   4          1HB       ARG   4 -13.276 -12.375  -8.669
   27   1HG   ARG   4          2HG       ARG   4 -14.592 -13.386 -10.504
   28   2HG   ARG   4          1HG       ARG   4 -13.994 -14.972 -10.012
   29   1HD   ARG   4          2HD       ARG   4 -16.141 -14.692  -9.032
   30   2HD   ARG   4          1HD       ARG   4 -14.951 -14.529  -7.743
   31    HE   ARG   4           HE       ARG   4 -15.985 -12.102  -9.029
   32   1HH1  ARG   4          1HH1      ARG   4 -15.742 -14.147  -6.182
   33   2HH1  ARG   4          2HH1      ARG   4 -16.497 -12.977  -5.142
   34   1HH2  ARG   4          1HH2      ARG   4 -16.945 -10.582  -7.659
   35   2HH2  ARG   4          2HH2      ARG   4 -17.162 -10.938  -5.970
   36    H    LEU   5           H        LEU   5 -10.355 -11.276 -10.934
   37    HA   LEU   5           HA       LEU   5  -8.976 -10.935  -8.411
   38   1HB   LEU   5          2HB       LEU   5  -6.744 -11.083  -9.389
   39   2HB   LEU   5          1HB       LEU   5  -7.589 -12.612  -9.498
   40    HG   LEU   5           HG       LEU   5  -7.465 -10.720 -11.840
   41   1HD1  LEU   5          1HD1      LEU   5  -5.487 -12.884 -11.123
   42   2HD1  LEU   5          2HD1      LEU   5  -5.169 -11.150 -11.129
   43   3HD1  LEU   5          3HD1      LEU   5  -5.529 -11.985 -12.639
   44   1HD2  LEU   5          1HD2      LEU   5  -7.821 -13.711 -11.632
   45   2HD2  LEU   5          2HD2      LEU   5  -7.794 -12.772 -13.125
   46   3HD2  LEU   5          3HD2      LEU   5  -9.098 -12.539 -11.960
   47    H    LEU   6           H        LEU   6  -9.239  -8.858  -8.048
   48    HA   LEU   6           HA       LEU   6  -8.964  -6.995 -10.314
   49   1HB   LEU   6          2HB       LEU   6 -10.535  -6.663  -7.755
   50   2HB   LEU   6          1HB       LEU   6 -10.352  -5.428  -8.986
   51    HG   LEU   6           HG       LEU   6 -11.735  -8.086  -9.350
   52   1HD1  LEU   6          1HD1      LEU   6 -12.815  -5.279  -9.142
   53   2HD1  LEU   6          2HD1      LEU   6 -13.024  -6.577  -7.966
   54   3HD1  LEU   6          3HD1      LEU   6 -13.761  -6.707  -9.563
   55   1HD2  LEU   6          1HD2      LEU   6 -11.419  -5.769 -11.255
   56   2HD2  LEU   6          2HD2      LEU   6 -12.397  -7.210 -11.535
   57   3HD2  LEU   6          3HD2      LEU   6 -10.643  -7.346 -11.402
   58    H    ASP   7           H        ASP   7  -6.633  -7.537  -9.617
   59    HA   ASP   7           HA       ASP   7  -5.726  -6.045  -7.285
   60   1HB   ASP   7          2HB       ASP   7  -3.548  -7.081  -7.739
   61   2HB   ASP   7          1HB       ASP   7  -4.818  -8.300  -7.699
   62    H    ILE   8           H        ILE   8  -6.524  -5.200 -10.292
   63    HA   ILE   8           HA       ILE   8  -4.202  -3.682 -11.047
   64    HB   ILE   8           HB       ILE   8  -5.771  -2.719 -12.803
   65   1HG1  ILE   8          2HG1      ILE   8  -7.567  -4.940 -11.787
   66   2HG1  ILE   8          1HG1      ILE   8  -7.882  -3.218 -11.597
   67   1HG2  ILE   8          1HG2      ILE   8  -5.693  -4.787 -14.141
   68   2HG2  ILE   8          2HG2      ILE   8  -5.288  -5.691 -12.681
   69   3HG2  ILE   8          3HG2      ILE   8  -4.181  -4.461 -13.294
   70   1HD1  ILE   8          1HD1      ILE   8  -7.715  -4.707 -14.205
   71   2HD1  ILE   8          2HD1      ILE   8  -8.022  -2.980 -14.024
   72   3HD1  ILE   8          3HD1      ILE   8  -9.189  -4.153 -13.411
   73    H    LEU   9           H        LEU   9  -4.208  -2.617  -8.881
   74    HA   LEU   9           HA       LEU   9  -5.858  -0.173  -8.937
   75   1HB   LEU   9          2HB       LEU   9  -4.664  -1.600  -6.557
   76   2HB   LEU   9          1HB       LEU   9  -5.530  -0.077  -6.483
   77    HG   LEU   9           HG       LEU   9  -6.730  -2.704  -7.376
   78   1HD1  LEU   9          1HD1      LEU   9  -7.936  -2.638  -5.248
   79   2HD1  LEU   9          2HD1      LEU   9  -7.027  -1.201  -4.778
   80   3HD1  LEU   9          3HD1      LEU   9  -6.192  -2.738  -5.005
   81   1HD2  LEU   9          1HD2      LEU   9  -8.003  -0.021  -6.836
   82   2HD2  LEU   9          2HD2      LEU   9  -8.857  -1.510  -7.238
   83   3HD2  LEU   9          3HD2      LEU   9  -7.783  -0.768  -8.421
   84    H    VAL  10           H        VAL  10  -4.818   1.726  -9.025
   85    HA   VAL  10           HA       VAL  10  -1.902   1.687  -8.658
   86    HB   VAL  10           HB       VAL  10  -1.737   3.450 -10.412
   87   1HG1  VAL  10          1HG1      VAL  10  -2.905   0.809 -11.276
   88   2HG1  VAL  10          2HG1      VAL  10  -1.203   1.160 -10.973
   89   3HG1  VAL  10          3HG1      VAL  10  -2.035   1.922 -12.330
   90   1HG2  VAL  10          1HG2      VAL  10  -4.034   4.272 -10.341
   91   2HG2  VAL  10          2HG2      VAL  10  -4.614   2.727 -10.966
   92   3HG2  VAL  10          3HG2      VAL  10  -3.597   3.759 -11.972
   93    H    CYS  11           H        CYS  11  -0.946   3.428  -7.721
   94    HA   CYS  11           HA       CYS  11  -2.338   4.995  -5.864
   95   1HB   CYS  11          2HB       CYS  11   0.028   4.564  -5.609
   96   2HB   CYS  11          1HB       CYS  11   0.386   5.352  -7.140
   97    HG   CYS  11           HG       CYS  11   1.234   6.863  -4.840
   98    HA   PRO  12           HA       PRO  12  -4.217   8.069  -8.474
   99   1HB   PRO  12          2HB       PRO  12  -4.445  10.042  -6.557
  100   2HB   PRO  12          1HB       PRO  12  -5.585   8.710  -6.767
  101   1HG   PRO  12          2HG       PRO  12  -3.331   8.988  -4.824
  102   2HG   PRO  12          1HG       PRO  12  -4.957   8.328  -4.568
  103   1HD   PRO  12          2HD       PRO  12  -2.833   6.723  -4.877
  104   2HD   PRO  12          1HD       PRO  12  -4.422   6.293  -5.544
  105    H    VAL  13           H        VAL  13  -1.341   8.669  -6.581
  106    HA   VAL  13           HA       VAL  13  -0.792  11.176  -7.949
  107    HB   VAL  13           HB       VAL  13   0.901   9.739  -5.897
  108   1HG1  VAL  13          1HG1      VAL  13   0.983  12.578  -6.916
  109   2HG1  VAL  13          2HG1      VAL  13   2.180  11.317  -7.216
  110   3HG1  VAL  13          3HG1      VAL  13   1.950  11.944  -5.584
  111   1HG2  VAL  13          1HG2      VAL  13  -1.281  10.284  -4.958
  112   2HG2  VAL  13          2HG2      VAL  13  -1.115  11.953  -5.502
  113   3HG2  VAL  13          3HG2      VAL  13  -0.031  11.317  -4.265
  114    H    CYS  14           H        CYS  14   1.255   8.318  -7.280
  115    HA   CYS  14           HA       CYS  14   2.849   9.003  -9.616
  116   1HB   CYS  14          2HB       CYS  14   3.310   6.886  -7.511
  117   2HB   CYS  14          1HB       CYS  14   4.471   7.422  -8.721
  118    HG   CYS  14           HG       CYS  14   3.957   8.605  -5.716
  119    H    LYS  15           H        LYS  15   0.174   7.194  -9.202
  120    HA   LYS  15           HA       LYS  15  -0.818   5.436 -10.229
  121   1HB   LYS  15          2HB       LYS  15   1.190   6.097 -12.388
  122   2HB   LYS  15          1HB       LYS  15  -0.247   5.106 -12.606
  123   1HG   LYS  15          2HG       LYS  15  -0.249   7.998 -11.773
  124   2HG   LYS  15          1HG       LYS  15  -0.549   7.406 -13.405
  125   1HD   LYS  15          2HD       LYS  15  -2.507   6.192 -12.629
  126   2HD   LYS  15          1HD       LYS  15  -2.188   6.704 -10.971
  127   1HE   LYS  15          2HE       LYS  15  -3.938   8.067 -11.972
  128   2HE   LYS  15          1HE       LYS  15  -2.507   9.038 -11.627
  129   1HZ   LYS  15          1HZ       LYS  15  -3.236   7.931 -14.292
  130   2HZ   LYS  15          2HZ       LYS  15  -1.884   8.898 -13.953
  131   3HZ   LYS  15          3HZ       LYS  15  -3.443   9.544 -13.802
  132    H    GLY  16           H        GLY  16   1.488   4.877  -8.499
  133   1HA   GLY  16          2HA       GLY  16   2.800   2.574  -9.653
  134   2HA   GLY  16          1HA       GLY  16   2.974   3.160  -8.002
  135    H    ARG  17           H        ARG  17   2.712   0.448  -8.577
  136    HA   ARG  17           HA       ARG  17   0.028  -0.449  -8.497
  137   1HB   ARG  17          2HB       ARG  17   1.569  -2.009  -9.313
  138   2HB   ARG  17          1HB       ARG  17   2.665  -1.772  -7.959
  139   1HG   ARG  17          2HG       ARG  17   1.602  -3.265  -6.661
  140   2HG   ARG  17          1HG       ARG  17   0.005  -2.799  -7.247
  141   1HD   ARG  17          2HD       ARG  17   1.973  -4.416  -8.858
  142   2HD   ARG  17          1HD       ARG  17   0.724  -5.131  -7.838
  143    HE   ARG  17           HE       ARG  17   0.030  -3.282 -10.024
  144   1HH1  ARG  17          1HH1      ARG  17  -0.200  -6.416  -8.492
  145   2HH1  ARG  17          2HH1      ARG  17  -1.544  -6.944  -9.466
  146   1HH2  ARG  17          1HH2      ARG  17  -1.742  -3.974 -11.325
  147   2HH2  ARG  17          2HH2      ARG  17  -2.396  -5.567 -11.076
  148    H    LEU  18           H        LEU  18  -1.367  -0.682  -6.930
  149    HA   LEU  18           HA       LEU  18  -0.513  -0.363  -4.140
  150   1HB   LEU  18          2HB       LEU  18  -3.311  -0.452  -5.289
  151   2HB   LEU  18          1HB       LEU  18  -2.875  -0.047  -3.642
  152    HG   LEU  18           HG       LEU  18  -2.252   1.588  -6.098
  153   1HD1  LEU  18          1HD1      LEU  18  -4.587   1.694  -5.447
  154   2HD1  LEU  18          2HD1      LEU  18  -3.776   3.212  -5.063
  155   3HD1  LEU  18          3HD1      LEU  18  -4.125   2.051  -3.782
  156   1HD2  LEU  18          1HD2      LEU  18  -0.452   1.774  -4.486
  157   2HD2  LEU  18          2HD2      LEU  18  -1.612   2.078  -3.194
  158   3HD2  LEU  18          3HD2      LEU  18  -1.412   3.255  -4.492
  159    H    GLU  19           H        GLU  19  -0.792  -1.993  -2.652
  160    HA   GLU  19           HA       GLU  19  -1.941  -4.508  -3.649
  161   1HB   GLU  19          2HB       GLU  19   0.631  -4.067  -2.161
  162   2HB   GLU  19          1HB       GLU  19  -0.200  -5.612  -2.114
  163   1HG   GLU  19          2HG       GLU  19  -0.085  -5.704  -4.583
  164   2HG   GLU  19          1HG       GLU  19   0.854  -4.211  -4.558
  165    H    PHE  20           H        PHE  20  -3.362  -5.480  -2.347
  166    HA   PHE  20           HA       PHE  20  -4.221  -4.065   0.009
  167   1HB   PHE  20          2HB       PHE  20  -5.846  -5.033  -1.587
  168   2HB   PHE  20          1HB       PHE  20  -5.254  -6.644  -1.199
  169    HD1  PHE  20           1HD      PHE  20  -7.036  -3.707   0.133
  170    HD2  PHE  20           2HD      PHE  20  -6.000  -7.793   0.734
  171    HE1  PHE  20           1HE      PHE  20  -8.668  -3.849   1.965
  172    HE2  PHE  20           2HE      PHE  20  -7.632  -7.941   2.569
  173    HZ   PHE  20           HZ       PHE  20  -8.969  -5.967   3.187
  174    H    GLN  21           H        GLN  21  -2.944  -4.310   1.736
  175    HA   GLN  21           HA       GLN  21  -1.998  -6.973   2.465
  176   1HB   GLN  21          2HB       GLN  21  -1.418  -4.230   3.582
  177   2HB   GLN  21          1HB       GLN  21  -0.815  -5.716   4.295
  178   1HG   GLN  21          2HG       GLN  21  -0.257  -4.851   1.478
  179   2HG   GLN  21          1HG       GLN  21   0.820  -4.573   2.847
  180   1HE2  GLN  21          1HE2      GLN  21   1.203  -6.136   0.401
  181   2HE2  GLN  21          2HE2      GLN  21   1.602  -7.731   0.923
  182    H    ARG  22           H        ARG  22  -2.567  -7.995   4.378
  183    HA   ARG  22           HA       ARG  22  -5.256  -7.244   5.232
  184   1HB   ARG  22          2HB       ARG  22  -3.726  -9.808   5.702
  185   2HB   ARG  22          1HB       ARG  22  -5.427  -9.532   6.055
  186   1HG   ARG  22          2HG       ARG  22  -5.812  -9.132   3.637
  187   2HG   ARG  22          1HG       ARG  22  -4.131  -9.576   3.340
  188   1HD   ARG  22          2HD       ARG  22  -5.552 -11.478   2.927
  189   2HD   ARG  22          1HD       ARG  22  -4.568 -11.780   4.358
  190    HE   ARG  22           HE       ARG  22  -6.961 -10.702   5.256
  191   1HH1  ARG  22          1HH1      ARG  22  -5.942 -13.559   3.497
  192   2HH1  ARG  22          2HH1      ARG  22  -7.255 -14.536   4.086
  193   1HH2  ARG  22          1HH2      ARG  22  -8.696 -11.975   5.986
  194   2HH2  ARG  22          2HH2      ARG  22  -8.801 -13.643   5.513
  195    H    ALA  23           H        ALA  23  -2.717  -5.988   6.258
  196    HA   ALA  23           HA       ALA  23  -2.586  -6.715   9.030
  197   1HB   ALA  23          1HB       ALA  23  -1.608  -4.209   7.654
  198   2HB   ALA  23          2HB       ALA  23  -0.667  -5.678   7.907
  199   3HB   ALA  23          3HB       ALA  23  -1.194  -4.720   9.290
  200    H    GLN  24           H        GLN  24  -3.343  -3.484   7.783
  201    HA   GLN  24           HA       GLN  24  -5.630  -3.350   9.622
  202   1HB   GLN  24          2HB       GLN  24  -3.925  -1.255   8.295
  203   2HB   GLN  24          1HB       GLN  24  -5.518  -0.852   8.910
  204   1HG   GLN  24          2HG       GLN  24  -3.868  -0.245  10.530
  205   2HG   GLN  24          1HG       GLN  24  -4.811  -1.596  11.149
  206   1HE2  GLN  24          1HE2      GLN  24  -1.725  -0.621   9.832
  207   2HE2  GLN  24          2HE2      GLN  24  -0.832  -1.984  10.408
  208    H    ALA  25           H        ALA  25  -5.265  -4.546   6.804
  209    HA   ALA  25           HA       ALA  25  -6.339  -4.728   4.819
  210   1HB   ALA  25          1HB       ALA  25  -8.321  -5.071   6.229
  211   2HB   ALA  25          2HB       ALA  25  -8.727  -4.232   4.732
  212   3HB   ALA  25          3HB       ALA  25  -8.610  -3.330   6.243
  213    H    GLU  26           H        GLU  26  -4.737  -3.276   3.969
  214    HA   GLU  26           HA       GLU  26  -5.821  -0.696   3.149
  215   1HB   GLU  26          2HB       GLU  26  -3.717   0.437   3.858
  216   2HB   GLU  26          1HB       GLU  26  -4.683  -0.164   5.199
  217   1HG   GLU  26          2HG       GLU  26  -3.170  -2.234   5.096
  218   2HG   GLU  26          1HG       GLU  26  -2.103  -1.227   4.120
  219    H    LEU  27           H        LEU  27  -4.816   0.214   1.335
  220    HA   LEU  27           HA       LEU  27  -3.450  -1.741  -0.350
  221   1HB   LEU  27          2HB       LEU  27  -4.437   1.012  -1.088
  222   2HB   LEU  27          1HB       LEU  27  -3.940  -0.254  -2.190
  223    HG   LEU  27           HG       LEU  27  -6.353  -0.404  -0.383
  224   1HD1  LEU  27          1HD1      LEU  27  -7.660  -0.099  -2.414
  225   2HD1  LEU  27          2HD1      LEU  27  -6.179   0.116  -3.346
  226   3HD1  LEU  27          3HD1      LEU  27  -6.623   1.295  -2.113
  227   1HD2  LEU  27          1HD2      LEU  27  -6.934  -2.366  -1.712
  228   2HD2  LEU  27          2HD2      LEU  27  -5.382  -2.586  -0.904
  229   3HD2  LEU  27          3HD2      LEU  27  -5.434  -2.202  -2.625
  230    H    VAL  28           H        VAL  28  -1.336  -1.800   0.027
  231    HA   VAL  28           HA       VAL  28   0.185   0.481   0.830
  232    HB   VAL  28           HB       VAL  28   1.005  -2.305  -0.005
  233   1HG1  VAL  28          1HG1      VAL  28   2.728  -0.082   1.092
  234   2HG1  VAL  28          2HG1      VAL  28   2.834  -0.790  -0.520
  235   3HG1  VAL  28          3HG1      VAL  28   3.232  -1.760   0.898
  236   1HG2  VAL  28          1HG2      VAL  28   1.476  -2.580   2.391
  237   2HG2  VAL  28          2HG2      VAL  28  -0.217  -2.180   2.098
  238   3HG2  VAL  28          3HG2      VAL  28   0.893  -0.942   2.686
  239    H    CYS  29           H        CYS  29   1.090   1.956  -0.391
  240    HA   CYS  29           HA       CYS  29   1.186   1.668  -3.281
  241   1HB   CYS  29          2HB       CYS  29   2.258   3.982  -1.675
  242   2HB   CYS  29          1HB       CYS  29   1.680   3.983  -3.336
  243    HG   CYS  29           HG       CYS  29  -0.797   3.015  -1.448
  244    H    ASN  30           H        ASN  30   2.841   0.396  -3.965
  245    HA   ASN  30           HA       ASN  30   5.237   0.167  -2.384
  246   1HB   ASN  30          2HB       ASN  30   4.466  -1.108  -5.020
  247   2HB   ASN  30          1HB       ASN  30   5.926  -1.499  -4.116
  248   1HD2  ASN  30          1HD2      ASN  30   2.480  -1.819  -4.283
  249   2HD2  ASN  30          2HD2      ASN  30   2.331  -3.026  -3.056
  250    H    ALA  31           H        ALA  31   5.099   2.707  -3.158
  251    HA   ALA  31           HA       ALA  31   7.592   3.065  -4.528
  252   1HB   ALA  31          1HB       ALA  31   6.054   2.949  -6.443
  253   2HB   ALA  31          2HB       ALA  31   6.752   4.559  -6.268
  254   3HB   ALA  31          3HB       ALA  31   5.095   4.253  -5.746
  255    H    ASP  32           H        ASP  32   4.631   4.544  -3.299
  256    HA   ASP  32           HA       ASP  32   6.025   6.936  -2.445
  257   1HB   ASP  32          2HB       ASP  32   3.139   6.080  -2.121
  258   2HB   ASP  32          1HB       ASP  32   3.782   7.639  -1.619
  259    H    ARG  33           H        ARG  33   5.534   3.878  -1.196
  260    HA   ARG  33           HA       ARG  33   5.760   2.901   0.848
  261   1HB   ARG  33          2HB       ARG  33   6.812   5.551   1.816
  262   2HB   ARG  33          1HB       ARG  33   7.063   3.977   2.550
  263   1HG   ARG  33          2HG       ARG  33   8.250   3.323   0.407
  264   2HG   ARG  33          1HG       ARG  33   8.223   5.041  -0.003
  265   1HD   ARG  33          2HD       ARG  33   9.300   5.477   2.218
  266   2HD   ARG  33          1HD       ARG  33   9.503   3.734   2.375
  267    HE   ARG  33           HE       ARG  33  10.593   4.933  -0.033
  268   1HH1  ARG  33          1HH1      ARG  33  11.183   3.784   3.222
  269   2HH1  ARG  33          2HH1      ARG  33  12.908   3.740   3.026
  270   1HH2  ARG  33          1HH2      ARG  33  12.868   4.865  -0.295
  271   2HH2  ARG  33          2HH2      ARG  33  13.861   4.294   1.019
  272    H    LEU  34           H        LEU  34   3.299   4.142   0.127
  273    HA   LEU  34           HA       LEU  34   2.300   5.072   2.742
  274   1HB   LEU  34          2HB       LEU  34   1.284   5.764  -0.018
  275   2HB   LEU  34          1HB       LEU  34   0.523   6.254   1.482
  276    HG   LEU  34           HG       LEU  34   3.274   7.089   0.571
  277   1HD1  LEU  34          1HD1      LEU  34   1.533   8.086  -0.796
  278   2HD1  LEU  34          2HD1      LEU  34   2.245   9.297   0.269
  279   3HD1  LEU  34          3HD1      LEU  34   0.668   8.606   0.651
  280   1HD2  LEU  34          1HD2      LEU  34   1.631   7.957   2.948
  281   2HD2  LEU  34          2HD2      LEU  34   3.174   8.654   2.452
  282   3HD2  LEU  34          3HD2      LEU  34   3.099   6.979   2.999
  283    H    ALA  35           H        ALA  35  -0.217   4.763   2.780
  284    HA   ALA  35           HA       ALA  35  -1.062   2.297   1.495
  285   1HB   ALA  35          1HB       ALA  35   0.095   1.546   3.527
  286   2HB   ALA  35          2HB       ALA  35  -1.627   1.170   3.571
  287   3HB   ALA  35          3HB       ALA  35  -0.996   2.530   4.500
  288    H    PHE  36           H        PHE  36  -3.115   2.453   0.906
  289    HA   PHE  36           HA       PHE  36  -4.813   4.499   2.142
  290   1HB   PHE  36          2HB       PHE  36  -5.091   2.921  -0.421
  291   2HB   PHE  36          1HB       PHE  36  -6.354   3.975   0.202
  292    HD1  PHE  36           2HD      PHE  36  -5.980   6.405   0.331
  293    HD2  PHE  36           1HD      PHE  36  -3.175   3.797  -1.522
  294    HE1  PHE  36           2HE      PHE  36  -4.950   8.325  -0.801
  295    HE2  PHE  36           1HE      PHE  36  -2.140   5.719  -2.660
  296    HZ   PHE  36           HZ       PHE  36  -3.029   7.989  -2.299
  297    HA   PRO  37           HA       PRO  37  -6.422   1.017   4.455
  298   1HB   PRO  37          2HB       PRO  37  -8.004   2.460   6.115
  299   2HB   PRO  37          1HB       PRO  37  -6.253   2.340   6.318
  300   1HG   PRO  37          2HG       PRO  37  -7.873   4.531   5.083
  301   2HG   PRO  37          1HG       PRO  37  -6.483   4.650   6.178
  302   1HD   PRO  37          2HD       PRO  37  -6.284   4.996   3.494
  303   2HD   PRO  37          1HD       PRO  37  -4.964   4.334   4.479
  304    H    VAL  38           H        VAL  38  -8.179  -0.245   4.249
  305    HA   VAL  38           HA       VAL  38 -10.564   0.889   2.937
  306    HB   VAL  38           HB       VAL  38  -9.728  -2.013   3.165
  307   1HG1  VAL  38          1HG1      VAL  38 -12.157  -1.714   3.055
  308   2HG1  VAL  38          2HG1      VAL  38 -11.539  -2.438   1.570
  309   3HG1  VAL  38          3HG1      VAL  38 -11.971  -0.729   1.603
  310   1HG2  VAL  38          1HG2      VAL  38  -9.635  -0.160   0.787
  311   2HG2  VAL  38          2HG2      VAL  38  -9.252  -1.881   0.770
  312   3HG2  VAL  38          3HG2      VAL  38  -8.241  -0.761   1.684
  313    H    ARG  39           H        ARG  39 -12.160   1.337   4.316
  314    HA   ARG  39           HA       ARG  39 -12.093   0.241   6.998
  315   1HB   ARG  39          2HB       ARG  39 -12.572   2.692   6.349
  316   2HB   ARG  39          1HB       ARG  39 -14.181   2.126   5.922
  317   1HG   ARG  39          2HG       ARG  39 -14.482   1.306   8.217
  318   2HG   ARG  39          1HG       ARG  39 -12.884   1.930   8.631
  319   1HD   ARG  39          2HD       ARG  39 -13.684   4.192   7.907
  320   2HD   ARG  39          1HD       ARG  39 -15.299   3.503   7.757
  321    HE   ARG  39           HE       ARG  39 -13.788   3.630  10.299
  322   1HH1  ARG  39          1HH1      ARG  39 -16.796   3.710   8.495
  323   2HH1  ARG  39          2HH1      ARG  39 -17.765   4.108   9.885
  324   1HH2  ARG  39          1HH2      ARG  39 -15.068   4.111  12.134
  325   2HH2  ARG  39          2HH2      ARG  39 -16.780   4.333  11.953
  326    H    ASP  40           H        ASP  40 -12.473  -1.858   5.665
  327    HA   ASP  40           HA       ASP  40 -13.754  -3.651   5.142
  328   1HB   ASP  40          2HB       ASP  40 -14.260  -3.248   7.622
  329   2HB   ASP  40          1HB       ASP  40 -15.800  -2.590   7.075
  330    H    GLY  41           H        GLY  41 -14.199  -3.064   3.019
  331   1HA   GLY  41          2HA       GLY  41 -15.902  -3.176   1.384
  332   2HA   GLY  41          1HA       GLY  41 -17.029  -2.491   2.545
  333    H    VAL  42           H        VAL  42 -15.437  -0.287   3.350
  334    HA   VAL  42           HA       VAL  42 -15.779   1.406   0.983
  335    HB   VAL  42           HB       VAL  42 -15.330   2.248   3.853
  336   1HG1  VAL  42          1HG1      VAL  42 -16.192   4.418   3.082
  337   2HG1  VAL  42          2HG1      VAL  42 -16.233   3.795   1.432
  338   3HG1  VAL  42          3HG1      VAL  42 -14.692   3.960   2.276
  339   1HG2  VAL  42          1HG2      VAL  42 -17.916   2.035   2.314
  340   2HG2  VAL  42          2HG2      VAL  42 -17.737   2.711   3.934
  341   3HG2  VAL  42          3HG2      VAL  42 -17.417   0.999   3.649
  342    HA   PRO  43           HA       PRO  43 -11.265   1.339   0.921
  343   1HB   PRO  43          2HB       PRO  43 -10.976   1.969  -1.677
  344   2HB   PRO  43          1HB       PRO  43 -11.446   0.347  -1.156
  345   1HG   PRO  43          2HG       PRO  43 -13.122   2.531  -2.298
  346   2HG   PRO  43          1HG       PRO  43 -13.248   0.779  -2.528
  347   1HD   PRO  43          2HD       PRO  43 -14.812   2.304  -0.795
  348   2HD   PRO  43          1HD       PRO  43 -14.610   0.543  -0.725
  349    H    ILE  44           H        ILE  44 -10.453   3.068   1.978
  350    HA   ILE  44           HA       ILE  44 -11.270   5.748   1.280
  351    HB   ILE  44           HB       ILE  44  -9.173   4.847   3.269
  352   1HG1  ILE  44          2HG1      ILE  44 -11.381   3.983   3.877
  353   2HG1  ILE  44          1HG1      ILE  44 -10.908   5.266   4.981
  354   1HG2  ILE  44          1HG2      ILE  44 -10.527   7.525   2.933
  355   2HG2  ILE  44          2HG2      ILE  44  -8.842   7.151   2.565
  356   3HG2  ILE  44          3HG2      ILE  44  -9.415   7.086   4.230
  357   1HD1  ILE  44          1HD1      ILE  44 -12.331   6.832   3.809
  358   2HD1  ILE  44          2HD1      ILE  44 -13.252   5.428   4.357
  359   3HD1  ILE  44          3HD1      ILE  44 -12.783   5.572   2.663
  360    H    MET  45           H        MET  45 -10.549   5.992  -0.804
  361    HA   MET  45           HA       MET  45  -7.702   5.797  -1.371
  362   1HB   MET  45          2HB       MET  45 -10.032   6.625  -3.120
  363   2HB   MET  45          1HB       MET  45  -8.368   6.480  -3.669
  364   1HG   MET  45          2HG       MET  45  -8.393   4.104  -3.144
  365   2HG   MET  45          1HG       MET  45 -10.056   4.242  -2.576
  366   1HE   MET  45          1HE       MET  45  -7.657   4.482  -5.671
  367   2HE   MET  45          2HE       MET  45  -8.438   6.062  -5.678
  368   3HE   MET  45          3HE       MET  45  -8.778   4.900  -6.964
  369    H    LEU  46           H        LEU  46  -9.120   7.809   0.441
  370    HA   LEU  46           HA       LEU  46  -8.770  10.360  -0.767
  371   1HB   LEU  46          2HB       LEU  46  -9.019   9.575   2.138
  372   2HB   LEU  46          1HB       LEU  46  -9.123  11.216   1.524
  373    HG   LEU  46           HG       LEU  46 -11.029   8.989   0.789
  374   1HD1  LEU  46          1HD1      LEU  46 -11.259   9.612   3.138
  375   2HD1  LEU  46          2HD1      LEU  46 -12.650  10.138   2.190
  376   3HD1  LEU  46          3HD1      LEU  46 -11.420  11.306   2.673
  377   1HD2  LEU  46          1HD2      LEU  46 -12.382  10.807  -0.150
  378   2HD2  LEU  46          2HD2      LEU  46 -10.818  10.660  -0.953
  379   3HD2  LEU  46          3HD2      LEU  46 -11.091  11.948   0.222
  380    H    GLU  47           H        GLU  47  -6.922  11.214  -1.245
  381    HA   GLU  47           HA       GLU  47  -4.471  10.025  -0.839
  382   1HB   GLU  47          2HB       GLU  47  -5.062  11.639  -2.624
  383   2HB   GLU  47          1HB       GLU  47  -4.998  12.933  -1.440
  384   1HG   GLU  47          2HG       GLU  47  -2.618  12.399  -1.051
  385   2HG   GLU  47          1HG       GLU  47  -2.710  11.208  -2.349
  386    H    ALA  48           H        ALA  48  -5.878  12.732   0.984
  387    HA   ALA  48           HA       ALA  48  -3.423  13.153   2.429
  388   1HB   ALA  48          1HB       ALA  48  -6.138  14.364   2.920
  389   2HB   ALA  48          2HB       ALA  48  -4.914  15.015   1.830
  390   3HB   ALA  48          3HB       ALA  48  -4.595  14.931   3.562
  391    H    GLU  49           H        GLU  49  -5.604  10.752   2.672
  392    HA   GLU  49           HA       GLU  49  -5.295  10.604   5.591
  393   1HB   GLU  49          2HB       GLU  49  -7.452   9.478   3.819
  394   2HB   GLU  49          1HB       GLU  49  -7.224   8.956   5.484
  395   1HG   GLU  49          2HG       GLU  49  -7.430  11.402   6.120
  396   2HG   GLU  49          1HG       GLU  49  -7.999  11.675   4.475
  397    H    ALA  50           H        ALA  50  -3.979   9.446   2.836
  398    HA   ALA  50           HA       ALA  50  -3.580   6.708   3.542
  399   1HB   ALA  50          1HB       ALA  50  -3.290   7.492   1.242
  400   2HB   ALA  50          2HB       ALA  50  -1.812   6.744   1.846
  401   3HB   ALA  50          3HB       ALA  50  -1.936   8.500   1.750
  402    H    ARG  51           H        ARG  51  -2.144   5.844   4.959
  403    HA   ARG  51           HA       ARG  51  -0.546   7.717   6.516
  404   1HB   ARG  51          2HB       ARG  51  -0.281   5.972   8.127
  405   2HB   ARG  51          1HB       ARG  51  -1.965   5.973   7.626
  406   1HG   ARG  51          2HG       ARG  51  -1.681   4.011   6.336
  407   2HG   ARG  51          1HG       ARG  51   0.079   4.110   6.449
  408   1HD   ARG  51          2HD       ARG  51  -0.072   3.744   8.874
  409   2HD   ARG  51          1HD       ARG  51  -1.823   3.606   8.737
  410    HE   ARG  51           HE       ARG  51  -1.396   1.603   7.308
  411   1HH1  ARG  51          1HH1      ARG  51   1.101   2.709   9.519
  412   2HH1  ARG  51          2HH1      ARG  51   1.767   1.128   9.768
  413   1HH2  ARG  51          1HH2      ARG  51  -0.544  -0.474   7.645
  414   2HH2  ARG  51          2HH2      ARG  51   0.838  -0.685   8.691
  415    H    SER  52           H        SER  52   1.694   7.148   7.109
  416    HA   SER  52           HA       SER  52   3.127   6.164   4.776
  417   1HB   SER  52          2HB       SER  52   3.934   8.244   5.584
  418   2HB   SER  52          1HB       SER  52   4.056   7.636   7.226
  419    HG   SER  52           HG       SER  52   5.963   7.702   5.488
  420    H    LEU  53           H        LEU  53   4.850   4.709   4.965
  421    HA   LEU  53           HA       LEU  53   4.397   2.688   7.057
  422   1HB   LEU  53          2HB       LEU  53   5.621   2.392   4.313
  423   2HB   LEU  53          1HB       LEU  53   5.395   1.090   5.469
  424    HG   LEU  53           HG       LEU  53   3.199   2.665   4.121
  425   1HD1  LEU  53          1HD1      LEU  53   4.116  -0.181   3.779
  426   2HD1  LEU  53          2HD1      LEU  53   4.313   1.128   2.615
  427   3HD1  LEU  53          3HD1      LEU  53   2.699   0.539   3.016
  428   1HD2  LEU  53          1HD2      LEU  53   2.535   2.017   6.366
  429   2HD2  LEU  53          2HD2      LEU  53   3.046   0.358   6.057
  430   3HD2  LEU  53          3HD2      LEU  53   1.684   1.040   5.168
  431    H    ASP  54           H        ASP  54   6.458   5.132   6.229
  432    HA   ASP  54           HA       ASP  54   8.907   3.731   7.008
  433   1HB   ASP  54          2HB       ASP  54   9.006   5.224   5.055
  434   2HB   ASP  54          1HB       ASP  54   8.494   6.577   6.059
  435    H    ALA  55           H        ALA  55   6.532   5.862   8.256
  436    HA   ALA  55           HA       ALA  55   8.216   6.900  10.372
  437   1HB   ALA  55          1HB       ALA  55   6.528   8.315   9.267
  438   2HB   ALA  55          2HB       ALA  55   6.294   8.210  11.012
  439   3HB   ALA  55          3HB       ALA  55   5.261   7.281   9.927
  440    H    GLU  56           H        GLU  56   7.265   3.967  10.073
  441    HA   GLU  56           HA       GLU  56   5.948   3.656  12.670
  442   1HB   GLU  56          2HB       GLU  56   5.069   2.506  10.585
  443   2HB   GLU  56          1HB       GLU  56   6.512   1.506  10.626
  444   1HG   GLU  56          2HG       GLU  56   5.879   0.581  12.746
  445   2HG   GLU  56          1HG       GLU  56   4.510   1.688  12.866
  446    H    ALA  57           H        ALA  57   6.951   2.702  14.373
  447    HA   ALA  57           HA       ALA  57   9.809   2.722  14.326
  448   1HB   ALA  57          1HB       ALA  57   7.945   1.932  16.556
  449   2HB   ALA  57          2HB       ALA  57   8.546   3.561  16.243
  450   3HB   ALA  57          3HB       ALA  57   9.666   2.281  16.707
  451    HA   PRO  58           HA       PRO  58  10.173  -1.677  13.506
  452   1HB   PRO  58          2HB       PRO  58  13.005  -1.285  13.292
  453   2HB   PRO  58          1HB       PRO  58  11.836  -1.531  11.993
  454   1HG   PRO  58          2HG       PRO  58  13.218   0.814  12.422
  455   2HG   PRO  58          1HG       PRO  58  11.680   0.698  11.549
  456   1HD   PRO  58          2HD       PRO  58  12.201   1.530  14.375
  457   2HD   PRO  58          1HD       PRO  58  11.040   2.186  13.200
  458    H    ALA  59           H        ALA  59  10.433  -3.287  14.910
  459    HA   ALA  59           HA       ALA  59  11.739  -2.772  17.453
  460   1HB   ALA  59          1HB       ALA  59   9.544  -3.857  17.458
  461   2HB   ALA  59          2HB       ALA  59  10.776  -4.905  18.163
  462   3HB   ALA  59          3HB       ALA  59  10.202  -5.198  16.521
  463    H    GLN  60           H        GLN  60  11.960  -5.084  14.768
  464    HA   GLN  60           HA       GLN  60  14.510  -6.038  15.824
  465   1HB   GLN  60          2HB       GLN  60  14.323  -7.901  14.347
  466   2HB   GLN  60          1HB       GLN  60  12.745  -7.683  15.084
  467   1HG   GLN  60          2HG       GLN  60  13.336  -6.487  12.408
  468   2HG   GLN  60          1HG       GLN  60  12.941  -8.196  12.547
  469   1HE2  GLN  60          1HE2      GLN  60  11.045  -8.025  11.410
  470   2HE2  GLN  60          2HE2      GLN  60   9.646  -7.223  12.031
  471    HA   PRO  61           HA       PRO  61  16.718  -3.625  12.833
  472   1HB   PRO  61          2HB       PRO  61  19.136  -4.778  13.049
  473   2HB   PRO  61          1HB       PRO  61  18.460  -3.791  14.350
  474   1HG   PRO  61          2HG       PRO  61  18.577  -6.769  14.092
  475   2HG   PRO  61          1HG       PRO  61  18.859  -5.757  15.520
  476   1HD   PRO  61          2HD       PRO  61  16.503  -7.078  15.015
  477   2HD   PRO  61          1HD       PRO  61  16.626  -5.612  16.006
  478    H    SER  62           H        SER  62  17.654  -3.790  10.737
  479    HA   SER  62           HA       SER  62  17.352  -6.438   9.469
  480   1HB   SER  62          2HB       SER  62  15.581  -4.765   8.810
  481   2HB   SER  62          1HB       SER  62  16.861  -3.757   8.139
  482    HG   SER  62           HG       SER  62  16.737  -4.922   6.407
  483    H    LEU  63           H        LEU  63  18.869  -6.902   7.772
  484    HA   LEU  63           HA       LEU  63  21.312  -5.283   8.016
  485   1HB   LEU  63          2HB       LEU  63  21.053  -8.268   7.672
  486   2HB   LEU  63          1HB       LEU  63  22.569  -7.391   7.593
  487    HG   LEU  63           HG       LEU  63  20.776  -7.583  10.017
  488   1HD1  LEU  63          1HD1      LEU  63  21.913  -9.677   9.517
  489   2HD1  LEU  63          2HD1      LEU  63  22.594  -8.919  10.957
  490   3HD1  LEU  63          3HD1      LEU  63  23.456  -8.827   9.422
  491   1HD2  LEU  63          1HD2      LEU  63  23.481  -6.294   9.667
  492   2HD2  LEU  63          2HD2      LEU  63  22.619  -6.479  11.195
  493   3HD2  LEU  63          3HD2      LEU  63  21.956  -5.449   9.925
  494    H    GLU  64           H        GLU  64  21.086  -4.041   6.230
  495    HA   GLU  64           HA       GLU  64  21.119  -5.456   3.652
  496   1HB   GLU  64          2HB       GLU  64  20.579  -3.291   2.614
  497   2HB   GLU  64          1HB       GLU  64  19.362  -3.758   3.790
  498   1HG   GLU  64          2HG       GLU  64  21.596  -1.846   4.410
  499   2HG   GLU  64          1HG       GLU  64  20.036  -1.332   3.776
  500    H    HIS  65           H        HIS  65  22.626  -4.425   1.996
  501    HA   HIS  65           HA       HIS  65  25.251  -4.372   3.033
  502   1HB   HIS  65          2HB       HIS  65  24.055  -3.802   0.351
  503   2HB   HIS  65          1HB       HIS  65  25.727  -3.347   0.654
  504    HD1  HIS  65           1HD      HIS  65  23.528  -6.307   0.104
  505    HD2  HIS  65           2HD      HIS  65  27.515  -5.499   0.974
  506    HE1  HIS  65           1HE      HIS  65  24.761  -8.467  -0.283
  507    HE2  HIS  65           2HE      HIS  65  27.195  -7.906   0.069
  508    H    HIS  66           H        HIS  66  26.023  -2.842   4.277
  509    HA   HIS  66           HA       HIS  66  25.127  -0.124   4.202
  510   1HB   HIS  66          2HB       HIS  66  26.003  -1.232   6.264
  511   2HB   HIS  66          1HB       HIS  66  27.598  -1.285   5.524
  512    HD1  HIS  66           1HD      HIS  66  25.054   1.183   6.835
  513    HD2  HIS  66           2HD      HIS  66  29.083   1.015   5.795
  514    HE1  HIS  66           1HE      HIS  66  26.052   3.367   7.599
  515    HE2  HIS  66           2HE      HIS  66  28.509   3.193   7.074
  516    H    HIS  67           H        HIS  67  25.433   0.330   1.973
  517    HA   HIS  67           HA       HIS  67  28.152   1.175   1.332
  518   1HB   HIS  67          2HB       HIS  67  27.644  -1.178   0.422
  519   2HB   HIS  67          1HB       HIS  67  26.536  -0.375  -0.684
  520    HD1  HIS  67           1HD      HIS  67  27.630   1.266  -2.461
  521    HD2  HIS  67           2HD      HIS  67  30.307  -1.036  -0.250
  522    HE1  HIS  67           1HE      HIS  67  29.819   1.385  -3.697
  523    HE2  HIS  67           2HE      HIS  67  31.405  -0.077  -2.386
  524    H    HIS  68           H        HIS  68  24.704   1.368   0.846
  525    HA   HIS  68           HA       HIS  68  24.814   3.371  -1.202
  526   1HB   HIS  68          2HB       HIS  68  22.868   1.770  -0.776
  527   2HB   HIS  68          1HB       HIS  68  22.439   2.807   0.579
  528    HD1  HIS  68           1HD      HIS  68  20.996   4.783   0.058
  529    HD2  HIS  68           2HD      HIS  68  22.804   3.190  -3.333
  530    HE1  HIS  68           1HE      HIS  68  19.972   5.996  -1.893
  531    HE2  HIS  68           2HE      HIS  68  21.291   5.207  -3.890
  532    H    HIS  69           H        HIS  69  26.413   4.560   0.043
  533    HA   HIS  69           HA       HIS  69  25.655   7.009   0.997
  534   1HB   HIS  69          2HB       HIS  69  24.660   5.679   2.930
  535   2HB   HIS  69          1HB       HIS  69  26.296   5.174   3.334
  536    HD1  HIS  69           1HD      HIS  69  27.553   6.658   4.876
  537    HD2  HIS  69           2HD      HIS  69  24.299   8.587   3.142
  538    HE1  HIS  69           1HE      HIS  69  27.391   8.895   6.028
  539    HE2  HIS  69           2HE      HIS  69  25.517  10.107   4.847
  540    H    HIS  70           H        HIS  70  27.777   4.456   2.181
  541    HA   HIS  70           HA       HIS  70  29.783   4.623   0.384
  542   1HB   HIS  70          2HB       HIS  70  30.136   6.984   1.316
  543   2HB   HIS  70          1HB       HIS  70  30.708   6.199   2.789
  544    HD1  HIS  70           1HD      HIS  70  33.056   5.241   2.770
  545    HD2  HIS  70           2HD      HIS  70  31.776   6.492  -0.984
  546    HE1  HIS  70           1HE      HIS  70  35.068   5.067   1.270
  547    HE2  HIS  70           2HE      HIS  70  34.189   5.565  -1.035
  Start of MODEL   14
    1   1H    MET   1          1H        MET   1 -16.279  -7.962 -18.038
    2   2H    MET   1          2H        MET   1 -17.489  -8.864 -18.807
    3   3H    MET   1          3H        MET   1 -16.190  -9.652 -18.057
    4    HA   MET   1           HA       MET   1 -18.200  -7.994 -16.655
    5   1HB   MET   1          2HB       MET   1 -19.141 -10.081 -15.818
    6   2HB   MET   1          1HB       MET   1 -19.193 -10.054 -17.573
    7   1HG   MET   1          2HG       MET   1 -17.167 -11.475 -17.614
    8   2HG   MET   1          1HG       MET   1 -17.241 -11.567 -15.856
    9   1HE   MET   1          1HE       MET   1 -18.980 -12.540 -19.236
   10   2HE   MET   1          2HE       MET   1 -20.209 -11.556 -18.440
   11   3HE   MET   1          3HE       MET   1 -20.475 -13.283 -18.667
   12    H    GLU   2           H        GLU   2 -17.803  -7.633 -14.536
   13    HA   GLU   2           HA       GLU   2 -15.303  -8.733 -13.466
   14   1HB   GLU   2          2HB       GLU   2 -16.944  -6.408 -12.435
   15   2HB   GLU   2          1HB       GLU   2 -15.421  -6.962 -11.761
   16   1HG   GLU   2          2HG       GLU   2 -14.604  -5.285 -13.018
   17   2HG   GLU   2          1HG       GLU   2 -14.630  -6.523 -14.270
   18    H    SER   3           H        SER   3 -16.314 -10.784 -13.082
   19    HA   SER   3           HA       SER   3 -18.478 -10.903 -11.168
   20   1HB   SER   3          2HB       SER   3 -16.871 -13.184 -12.330
   21   2HB   SER   3          1HB       SER   3 -18.468 -13.273 -11.584
   22    HG   SER   3           HG       SER   3 -19.340 -12.206 -13.317
   23    H    ARG   4           H        ARG   4 -15.037 -11.135 -11.202
   24    HA   ARG   4           HA       ARG   4 -14.899 -11.197  -8.343
   25   1HB   ARG   4          2HB       ARG   4 -15.185 -13.630  -9.005
   26   2HB   ARG   4          1HB       ARG   4 -13.639 -13.510  -9.835
   27   1HG   ARG   4          2HG       ARG   4 -12.525 -13.021  -7.740
   28   2HG   ARG   4          1HG       ARG   4 -14.074 -13.037  -6.892
   29   1HD   ARG   4          2HD       ARG   4 -14.375 -15.398  -7.626
   30   2HD   ARG   4          1HD       ARG   4 -12.740 -15.355  -8.285
   31    HE   ARG   4           HE       ARG   4 -12.661 -14.556  -5.587
   32   1HH1  ARG   4          1HH1      ARG   4 -13.212 -17.416  -7.546
   33   2HH1  ARG   4          2HH1      ARG   4 -12.690 -18.518  -6.313
   34   1HH2  ARG   4          1HH2      ARG   4 -11.984 -16.016  -3.954
   35   2HH2  ARG   4          2HH2      ARG   4 -11.969 -17.725  -4.283
   36    H    LEU   5           H        LEU   5 -13.041 -10.249  -7.662
   37    HA   LEU   5           HA       LEU   5 -11.119  -9.047  -7.732
   38   1HB   LEU   5          2HB       LEU   5 -10.261 -11.194  -8.842
   39   2HB   LEU   5          1HB       LEU   5 -10.442 -10.355 -10.365
   40    HG   LEU   5           HG       LEU   5  -8.718  -9.259  -8.151
   41   1HD1  LEU   5          1HD1      LEU   5  -7.915 -11.122 -10.381
   42   2HD1  LEU   5          2HD1      LEU   5  -7.930 -11.505  -8.659
   43   3HD1  LEU   5          3HD1      LEU   5  -6.811 -10.293  -9.284
   44   1HD2  LEU   5          1HD2      LEU   5  -7.614  -8.096  -9.993
   45   2HD2  LEU   5          2HD2      LEU   5  -9.335  -7.709  -9.942
   46   3HD2  LEU   5          3HD2      LEU   5  -8.720  -8.850 -11.140
   47    H    LEU   6           H        LEU   6 -11.601  -6.977  -7.975
   48    HA   LEU   6           HA       LEU   6 -12.869  -5.979 -10.359
   49   1HB   LEU   6          2HB       LEU   6 -13.464  -5.165  -8.096
   50   2HB   LEU   6          1HB       LEU   6 -11.856  -4.486  -7.938
   51    HG   LEU   6           HG       LEU   6 -12.327  -2.960  -9.818
   52   1HD1  LEU   6          1HD1      LEU   6 -15.100  -4.136  -9.701
   53   2HD1  LEU   6          2HD1      LEU   6 -13.942  -4.336 -11.016
   54   3HD1  LEU   6          3HD1      LEU   6 -14.608  -2.742 -10.663
   55   1HD2  LEU   6          1HD2      LEU   6 -14.352  -2.881  -7.586
   56   2HD2  LEU   6          2HD2      LEU   6 -13.920  -1.526  -8.630
   57   3HD2  LEU   6          3HD2      LEU   6 -12.719  -2.217  -7.540
   58    H    ASP   7           H        ASP   7 -11.996  -4.628 -11.887
   59    HA   ASP   7           HA       ASP   7  -9.165  -4.967 -12.287
   60   1HB   ASP   7          2HB       ASP   7 -10.819  -5.210 -14.127
   61   2HB   ASP   7          1HB       ASP   7 -11.171  -3.489 -14.006
   62    H    ILE   8           H        ILE   8 -11.296  -2.099 -12.260
   63    HA   ILE   8           HA       ILE   8  -8.928  -0.408 -12.052
   64    HB   ILE   8           HB       ILE   8 -11.808   0.360 -12.542
   65   1HG1  ILE   8          2HG1      ILE   8  -9.459   0.200 -14.444
   66   2HG1  ILE   8          1HG1      ILE   8 -10.798  -0.941 -14.382
   67   1HG2  ILE   8          1HG2      ILE   8 -10.916   2.560 -13.147
   68   2HG2  ILE   8          2HG2      ILE   8  -9.297   2.025 -12.698
   69   3HG2  ILE   8          3HG2      ILE   8 -10.553   2.159 -11.468
   70   1HD1  ILE   8          1HD1      ILE   8 -11.075   0.610 -16.215
   71   2HD1  ILE   8          2HD1      ILE   8 -10.973   1.975 -15.104
   72   3HD1  ILE   8          3HD1      ILE   8 -12.337   0.862 -15.009
   73    H    LEU   9           H        LEU   9  -8.308   0.492 -10.220
   74    HA   LEU   9           HA       LEU   9 -10.311   1.003  -8.127
   75   1HB   LEU   9          2HB       LEU   9  -7.483   0.006  -7.784
   76   2HB   LEU   9          1HB       LEU   9  -8.462   0.619  -6.466
   77    HG   LEU   9           HG       LEU   9  -9.161  -1.792  -8.148
   78   1HD1  LEU   9          1HD1      LEU   9  -8.046  -1.636  -5.351
   79   2HD1  LEU   9          2HD1      LEU   9  -7.177  -2.187  -6.783
   80   3HD1  LEU   9          3HD1      LEU   9  -8.560  -3.102  -6.184
   81   1HD2  LEU   9          1HD2      LEU   9 -11.114  -0.653  -7.238
   82   2HD2  LEU   9          2HD2      LEU   9 -10.402  -0.698  -5.625
   83   3HD2  LEU   9          3HD2      LEU   9 -10.851  -2.200  -6.432
   84    H    VAL  10           H        VAL  10 -10.187   2.990  -7.136
   85    HA   VAL  10           HA       VAL  10  -8.034   4.787  -8.024
   86    HB   VAL  10           HB       VAL  10  -9.687   6.636  -8.155
   87   1HG1  VAL  10          1HG1      VAL  10  -8.961   5.482 -10.184
   88   2HG1  VAL  10          2HG1      VAL  10 -10.630   6.039 -10.311
   89   3HG1  VAL  10          3HG1      VAL  10 -10.287   4.334 -10.007
   90   1HG2  VAL  10          1HG2      VAL  10 -11.413   5.678  -6.728
   91   2HG2  VAL  10          2HG2      VAL  10 -11.728   4.431  -7.937
   92   3HG2  VAL  10          3HG2      VAL  10 -12.063   6.124  -8.305
   93    H    CYS  11           H        CYS  11  -7.823   6.727  -6.685
   94    HA   CYS  11           HA       CYS  11  -7.743   6.192  -3.922
   95   1HB   CYS  11          2HB       CYS  11  -6.266   7.828  -4.995
   96   2HB   CYS  11          1HB       CYS  11  -7.650   8.829  -5.410
   97    HG   CYS  11           HG       CYS  11  -5.943   9.769  -3.208
   98    HA   PRO  12           HA       PRO  12 -12.103   6.582  -3.156
   99   1HB   PRO  12          2HB       PRO  12 -11.927   6.758  -0.409
  100   2HB   PRO  12          1HB       PRO  12 -11.899   5.246  -1.319
  101   1HG   PRO  12          2HG       PRO  12  -9.622   6.831  -0.208
  102   2HG   PRO  12          1HG       PRO  12  -9.860   5.073  -0.233
  103   1HD   PRO  12          2HD       PRO  12  -8.215   6.291  -1.970
  104   2HD   PRO  12          1HD       PRO  12  -9.200   4.894  -2.453
  105    H    VAL  13           H        VAL  13  -9.739   8.907  -2.082
  106    HA   VAL  13           HA       VAL  13 -11.870  10.805  -1.403
  107    HB   VAL  13           HB       VAL  13  -8.908  11.058  -0.874
  108   1HG1  VAL  13          1HG1      VAL  13 -11.252  12.669   0.134
  109   2HG1  VAL  13          2HG1      VAL  13 -10.033  13.208  -1.020
  110   3HG1  VAL  13          3HG1      VAL  13  -9.575  12.864   0.648
  111   1HG2  VAL  13          1HG2      VAL  13 -11.144  10.231   0.984
  112   2HG2  VAL  13          2HG2      VAL  13  -9.472  10.526   1.464
  113   3HG2  VAL  13          3HG2      VAL  13  -9.857   9.192   0.377
  114    H    CYS  14           H        CYS  14  -8.719  10.857  -3.111
  115    HA   CYS  14           HA       CYS  14  -9.491  13.336  -4.393
  116   1HB   CYS  14          2HB       CYS  14  -6.927  11.748  -4.595
  117   2HB   CYS  14          1HB       CYS  14  -7.182  13.362  -5.248
  118    HG   CYS  14           HG       CYS  14  -5.670  12.990  -2.668
  119    H    LYS  15           H        LYS  15  -9.957  10.134  -5.095
  120    HA   LYS  15           HA       LYS  15 -10.633   8.974  -6.917
  121   1HB   LYS  15          2HB       LYS  15 -11.133  11.741  -8.016
  122   2HB   LYS  15          1HB       LYS  15 -11.768  10.249  -8.699
  123   1HG   LYS  15          2HG       LYS  15 -12.324  11.138  -5.881
  124   2HG   LYS  15          1HG       LYS  15 -13.355  11.555  -7.247
  125   1HD   LYS  15          2HD       LYS  15 -13.884   9.262  -7.642
  126   2HD   LYS  15          1HD       LYS  15 -12.639   8.723  -6.512
  127   1HE   LYS  15          2HE       LYS  15 -13.851   9.617  -4.649
  128   2HE   LYS  15          1HE       LYS  15 -15.027  10.382  -5.715
  129   1HZ   LYS  15          1HZ       LYS  15 -15.686   8.220  -4.611
  130   2HZ   LYS  15          2HZ       LYS  15 -14.628   7.451  -5.687
  131   3HZ   LYS  15          3HZ       LYS  15 -15.952   8.332  -6.281
  132    H    GLY  16           H        GLY  16  -7.795   9.996  -6.736
  133   1HA   GLY  16          2HA       GLY  16  -6.898  10.192  -9.456
  134   2HA   GLY  16          1HA       GLY  16  -5.882   9.986  -8.033
  135    H    ARG  17           H        ARG  17  -5.280   8.614 -10.330
  136    HA   ARG  17           HA       ARG  17  -6.539   6.016 -10.316
  137   1HB   ARG  17          2HB       ARG  17  -5.747   7.070 -12.410
  138   2HB   ARG  17          1HB       ARG  17  -4.097   6.994 -11.808
  139   1HG   ARG  17          2HG       ARG  17  -4.319   4.507 -11.716
  140   2HG   ARG  17          1HG       ARG  17  -5.885   4.674 -12.514
  141   1HD   ARG  17          2HD       ARG  17  -4.156   4.167 -14.143
  142   2HD   ARG  17          1HD       ARG  17  -4.787   5.793 -14.403
  143    HE   ARG  17           HE       ARG  17  -2.284   5.357 -12.910
  144   1HH1  ARG  17          1HH1      ARG  17  -3.994   6.757 -15.625
  145   2HH1  ARG  17          2HH1      ARG  17  -2.709   7.855 -16.025
  146   1HH2  ARG  17          1HH2      ARG  17  -0.578   6.738 -13.465
  147   2HH2  ARG  17          2HH2      ARG  17  -0.760   7.836 -14.806
  148    H    LEU  18           H        LEU  18  -5.906   4.278  -9.202
  149    HA   LEU  18           HA       LEU  18  -3.446   4.385  -7.650
  150   1HB   LEU  18          2HB       LEU  18  -5.622   2.290  -7.778
  151   2HB   LEU  18          1HB       LEU  18  -4.251   2.248  -6.689
  152    HG   LEU  18           HG       LEU  18  -6.487   4.274  -6.677
  153   1HD1  LEU  18          1HD1      LEU  18  -5.731   2.105  -4.721
  154   2HD1  LEU  18          2HD1      LEU  18  -7.143   2.115  -5.778
  155   3HD1  LEU  18          3HD1      LEU  18  -7.001   3.305  -4.486
  156   1HD2  LEU  18          1HD2      LEU  18  -4.385   5.330  -6.089
  157   2HD2  LEU  18          2HD2      LEU  18  -4.055   4.060  -4.910
  158   3HD2  LEU  18          3HD2      LEU  18  -5.412   5.160  -4.665
  159    H    GLU  19           H        GLU  19  -1.656   3.187  -8.070
  160    HA   GLU  19           HA       GLU  19  -1.788   1.345 -10.349
  161   1HB   GLU  19          2HB       GLU  19   0.274   3.466  -9.780
  162   2HB   GLU  19          1HB       GLU  19   0.519   2.167 -10.936
  163   1HG   GLU  19          2HG       GLU  19  -1.499   2.930 -12.154
  164   2HG   GLU  19          1HG       GLU  19  -1.617   4.287 -11.037
  165    H    PHE  20           H        PHE  20  -0.914  -0.576 -10.037
  166    HA   PHE  20           HA       PHE  20  -0.163  -1.252  -7.344
  167   1HB   PHE  20          2HB       PHE  20  -1.661  -2.653  -8.771
  168   2HB   PHE  20          1HB       PHE  20  -0.278  -3.026  -9.793
  169    HD1  PHE  20           1HD      PHE  20  -1.543  -3.312  -6.318
  170    HD2  PHE  20           2HD      PHE  20   1.130  -4.808  -9.273
  171    HE1  PHE  20           1HE      PHE  20  -0.990  -5.211  -4.852
  172    HE2  PHE  20           2HE      PHE  20   1.685  -6.708  -7.816
  173    HZ   PHE  20           HZ       PHE  20   0.623  -6.912  -5.604
  174    H    GLN  21           H        GLN  21   1.817  -1.646  -6.552
  175    HA   GLN  21           HA       GLN  21   4.068  -1.663  -8.441
  176   1HB   GLN  21          2HB       GLN  21   3.859  -0.779  -5.571
  177   2HB   GLN  21          1HB       GLN  21   5.409  -1.109  -6.328
  178   1HG   GLN  21          2HG       GLN  21   3.402   0.887  -7.346
  179   2HG   GLN  21          1HG       GLN  21   4.783   1.279  -6.326
  180   1HE2  GLN  21          1HE2      GLN  21   5.681   2.630  -7.866
  181   2HE2  GLN  21          2HE2      GLN  21   6.417   2.035  -9.314
  182    H    ARG  22           H        ARG  22   5.972  -2.948  -7.658
  183    HA   ARG  22           HA       ARG  22   4.951  -5.593  -6.860
  184   1HB   ARG  22          2HB       ARG  22   7.449  -4.930  -8.433
  185   2HB   ARG  22          1HB       ARG  22   6.779  -6.532  -8.152
  186   1HG   ARG  22          2HG       ARG  22   5.450  -4.332  -9.717
  187   2HG   ARG  22          1HG       ARG  22   6.293  -5.724 -10.401
  188   1HD   ARG  22          2HD       ARG  22   4.690  -7.233  -9.442
  189   2HD   ARG  22          1HD       ARG  22   3.913  -5.918  -8.562
  190    HE   ARG  22           HE       ARG  22   3.768  -5.197 -11.209
  191   1HH1  ARG  22          1HH1      ARG  22   2.689  -7.941  -9.294
  192   2HH1  ARG  22          2HH1      ARG  22   1.273  -8.213 -10.275
  193   1HH2  ARG  22          1HH2      ARG  22   1.931  -5.567 -12.483
  194   2HH2  ARG  22          2HH2      ARG  22   0.861  -6.888 -12.110
  195    H    ALA  23           H        ALA  23   5.904  -3.397  -5.057
  196    HA   ALA  23           HA       ALA  23   8.421  -4.430  -4.025
  197   1HB   ALA  23          1HB       ALA  23   6.701  -2.152  -3.036
  198   2HB   ALA  23          2HB       ALA  23   8.089  -2.010  -4.114
  199   3HB   ALA  23          3HB       ALA  23   8.316  -2.557  -2.454
  200    H    GLN  24           H        GLN  24   5.380  -3.533  -2.384
  201    HA   GLN  24           HA       GLN  24   5.546  -6.093  -0.924
  202   1HB   GLN  24          2HB       GLN  24   6.268  -4.013   0.403
  203   2HB   GLN  24          1HB       GLN  24   4.579  -3.528   0.339
  204   1HG   GLN  24          2HG       GLN  24   4.209  -5.969   1.277
  205   2HG   GLN  24          1HG       GLN  24   5.864  -5.743   1.843
  206   1HE2  GLN  24          1HE2      GLN  24   2.578  -4.687   2.079
  207   2HE2  GLN  24          2HE2      GLN  24   2.756  -3.770   3.540
  208    H    ALA  25           H        ALA  25   4.044  -5.136  -3.278
  209    HA   ALA  25           HA       ALA  25   1.985  -5.254  -4.205
  210   1HB   ALA  25          1HB       ALA  25   1.215  -6.687  -1.664
  211   2HB   ALA  25          2HB       ALA  25   1.841  -7.441  -3.131
  212   3HB   ALA  25          3HB       ALA  25   0.270  -6.638  -3.152
  213    H    GLU  26           H        GLU  26   2.048  -2.936  -3.958
  214    HA   GLU  26           HA       GLU  26  -0.091  -1.999  -2.180
  215   1HB   GLU  26          2HB       GLU  26   1.176   0.127  -1.890
  216   2HB   GLU  26          1HB       GLU  26   1.942  -1.269  -1.148
  217   1HG   GLU  26          2HG       GLU  26   2.755  -0.382  -3.888
  218   2HG   GLU  26          1HG       GLU  26   3.379   0.437  -2.457
  219    H    LEU  27           H        LEU  27  -1.379  -0.359  -2.942
  220    HA   LEU  27           HA       LEU  27  -1.187   0.234  -5.809
  221   1HB   LEU  27          2HB       LEU  27  -3.397   0.986  -3.896
  222   2HB   LEU  27          1HB       LEU  27  -3.444   1.065  -5.642
  223    HG   LEU  27           HG       LEU  27  -3.212  -1.508  -4.089
  224   1HD1  LEU  27          1HD1      LEU  27  -5.571  -1.842  -4.632
  225   2HD1  LEU  27          2HD1      LEU  27  -5.640  -0.222  -5.326
  226   3HD1  LEU  27          3HD1      LEU  27  -5.334  -0.431  -3.601
  227   1HD2  LEU  27          1HD2      LEU  27  -2.333  -1.631  -6.355
  228   2HD2  LEU  27          2HD2      LEU  27  -3.831  -0.948  -6.988
  229   3HD2  LEU  27          3HD2      LEU  27  -3.841  -2.536  -6.221
  230    H    VAL  28           H        VAL  28   0.089   1.922  -6.213
  231    HA   VAL  28           HA       VAL  28   0.497   3.962  -4.202
  232    HB   VAL  28           HB       VAL  28   1.717   3.569  -6.938
  233   1HG1  VAL  28          1HG1      VAL  28   1.670   5.943  -6.374
  234   2HG1  VAL  28          2HG1      VAL  28   3.313   5.308  -6.315
  235   3HG1  VAL  28          3HG1      VAL  28   2.424   5.595  -4.818
  236   1HG2  VAL  28          1HG2      VAL  28   2.387   1.895  -5.333
  237   2HG2  VAL  28          2HG2      VAL  28   2.787   3.144  -4.154
  238   3HG2  VAL  28          3HG2      VAL  28   3.726   3.001  -5.640
  239    H    CYS  29           H        CYS  29  -0.525   5.805  -4.103
  240    HA   CYS  29           HA       CYS  29  -2.269   6.697  -6.230
  241   1HB   CYS  29          2HB       CYS  29  -1.538   8.237  -3.735
  242   2HB   CYS  29          1HB       CYS  29  -2.994   8.386  -4.710
  243    HG   CYS  29           HG       CYS  29  -3.965   7.273  -2.481
  244    H    ASN  30           H        ASN  30  -0.975   7.276  -7.952
  245    HA   ASN  30           HA       ASN  30   1.403   8.831  -7.575
  246   1HB   ASN  30          2HB       ASN  30  -0.039   7.756  -9.972
  247   2HB   ASN  30          1HB       ASN  30   1.211   8.981 -10.182
  248   1HD2  ASN  30          1HD2      ASN  30   1.130   6.134 -10.981
  249   2HD2  ASN  30          2HD2      ASN  30   2.540   5.422 -10.259
  250    H    ALA  31           H        ALA  31  -0.389  10.194  -6.351
  251    HA   ALA  31           HA       ALA  31  -0.335  12.746  -7.673
  252   1HB   ALA  31          1HB       ALA  31  -2.470  11.861  -8.513
  253   2HB   ALA  31          2HB       ALA  31  -2.723  13.216  -7.412
  254   3HB   ALA  31          3HB       ALA  31  -2.995  11.565  -6.855
  255    H    ASP  32           H        ASP  32  -1.639  10.837  -5.006
  256    HA   ASP  32           HA       ASP  32  -1.340  12.991  -3.099
  257   1HB   ASP  32          2HB       ASP  32  -2.159  10.100  -2.729
  258   2HB   ASP  32          1HB       ASP  32  -2.195  11.326  -1.470
  259    H    ARG  33           H        ARG  33   0.647  10.592  -4.371
  260    HA   ARG  33           HA       ARG  33   2.614   9.609  -3.792
  261   1HB   ARG  33          2HB       ARG  33   2.688  11.821  -1.746
  262   2HB   ARG  33          1HB       ARG  33   3.992  10.669  -1.969
  263   1HG   ARG  33          2HG       ARG  33   3.987  11.453  -4.417
  264   2HG   ARG  33          1HG       ARG  33   3.056  12.829  -3.813
  265   1HD   ARG  33          2HD       ARG  33   4.821  13.298  -2.186
  266   2HD   ARG  33          1HD       ARG  33   5.745  11.932  -2.802
  267    HE   ARG  33           HE       ARG  33   5.114  13.841  -4.849
  268   1HH1  ARG  33          1HH1      ARG  33   7.340  13.103  -2.236
  269   2HH1  ARG  33          2HH1      ARG  33   8.616  14.089  -2.873
  270   1HH2  ARG  33          1HH2      ARG  33   6.822  15.149  -5.689
  271   2HH2  ARG  33          2HH2      ARG  33   8.328  15.238  -4.819
  272    H    LEU  34           H        LEU  34   0.150   8.641  -2.727
  273    HA   LEU  34           HA       LEU  34   0.986   7.579  -0.114
  274   1HB   LEU  34          2HB       LEU  34  -1.749   7.797  -1.369
  275   2HB   LEU  34          1HB       LEU  34  -1.434   6.918   0.111
  276    HG   LEU  34           HG       LEU  34  -0.952   9.872  -0.244
  277   1HD1  LEU  34          1HD1      LEU  34  -3.330   9.356  -0.390
  278   2HD1  LEU  34          2HD1      LEU  34  -2.955  10.166   1.131
  279   3HD1  LEU  34          3HD1      LEU  34  -3.228   8.424   1.104
  280   1HD2  LEU  34          1HD2      LEU  34  -0.958   8.127   2.212
  281   2HD2  LEU  34          2HD2      LEU  34  -0.739   9.877   2.187
  282   3HD2  LEU  34          3HD2      LEU  34   0.467   8.825   1.445
  283    H    ALA  35           H        ALA  35   0.182   5.301   0.290
  284    HA   ALA  35           HA       ALA  35  -0.025   3.660  -2.114
  285   1HB   ALA  35          1HB       ALA  35   1.748   2.160  -1.441
  286   2HB   ALA  35          2HB       ALA  35   2.060   3.132  -0.002
  287   3HB   ALA  35          3HB       ALA  35   2.384   3.798  -1.603
  288    H    PHE  36           H        PHE  36  -1.793   2.502  -1.792
  289    HA   PHE  36           HA       PHE  36  -2.625   1.758   0.894
  290   1HB   PHE  36          2HB       PHE  36  -3.897   1.268  -1.806
  291   2HB   PHE  36          1HB       PHE  36  -4.599   0.755  -0.275
  292    HD1  PHE  36           2HD      PHE  36  -4.773   2.731   1.514
  293    HD2  PHE  36           1HD      PHE  36  -4.654   3.224  -2.710
  294    HE1  PHE  36           2HE      PHE  36  -5.875   4.914   1.746
  295    HE2  PHE  36           1HE      PHE  36  -5.757   5.416  -2.485
  296    HZ   PHE  36           HZ       PHE  36  -6.371   6.260  -0.251
  297    HA   PRO  37           HA       PRO  37  -0.330  -2.021   0.390
  298   1HB   PRO  37          2HB       PRO  37  -0.648  -2.948   2.894
  299   2HB   PRO  37          1HB       PRO  37   0.423  -1.589   2.531
  300   1HG   PRO  37          2HG       PRO  37  -2.347  -1.577   3.660
  301   2HG   PRO  37          1HG       PRO  37  -0.947  -0.588   4.113
  302   1HD   PRO  37          2HD       PRO  37  -2.985   0.281   2.486
  303   2HD   PRO  37          1HD       PRO  37  -1.336   0.934   2.443
  304    H    VAL  38           H        VAL  38  -1.033  -3.825  -0.548
  305    HA   VAL  38           HA       VAL  38  -3.728  -4.795   0.003
  306    HB   VAL  38           HB       VAL  38  -1.720  -5.835  -2.011
  307   1HG1  VAL  38          1HG1      VAL  38  -4.684  -6.301  -1.748
  308   2HG1  VAL  38          2HG1      VAL  38  -3.405  -7.468  -1.409
  309   3HG1  VAL  38          3HG1      VAL  38  -3.660  -6.892  -3.056
  310   1HG2  VAL  38          1HG2      VAL  38  -2.989  -4.604  -3.691
  311   2HG2  VAL  38          2HG2      VAL  38  -2.294  -3.518  -2.488
  312   3HG2  VAL  38          3HG2      VAL  38  -4.011  -3.918  -2.425
  313    H    ARG  39           H        ARG  39  -3.611  -5.725   1.978
  314    HA   ARG  39           HA       ARG  39  -1.392  -7.374   2.754
  315   1HB   ARG  39          2HB       ARG  39  -2.509  -5.961   4.399
  316   2HB   ARG  39          1HB       ARG  39  -4.022  -6.816   4.139
  317   1HG   ARG  39          2HG       ARG  39  -3.071  -8.841   5.061
  318   2HG   ARG  39          1HG       ARG  39  -1.503  -8.047   5.238
  319   1HD   ARG  39          2HD       ARG  39  -2.421  -6.487   6.827
  320   2HD   ARG  39          1HD       ARG  39  -4.044  -7.131   6.577
  321    HE   ARG  39           HE       ARG  39  -2.460  -9.256   7.407
  322   1HH1  ARG  39          1HH1      ARG  39  -3.447  -6.160   8.691
  323   2HH1  ARG  39          2HH1      ARG  39  -3.479  -6.695  10.341
  324   1HH2  ARG  39          1HH2      ARG  39  -2.514  -9.993   9.565
  325   2HH2  ARG  39          2HH2      ARG  39  -2.966  -8.895  10.843
  326    H    ASP  40           H        ASP  40  -1.331  -9.098   1.386
  327    HA   ASP  40           HA       ASP  40  -1.742 -11.191   0.631
  328   1HB   ASP  40          2HB       ASP  40  -1.698 -11.589   3.112
  329   2HB   ASP  40          1HB       ASP  40  -3.456 -11.494   3.102
  330    H    GLY  41           H        GLY  41  -3.364  -9.218  -0.466
  331   1HA   GLY  41          2HA       GLY  41  -4.916  -9.732  -2.233
  332   2HA   GLY  41          1HA       GLY  41  -5.688 -10.887  -1.156
  333    H    VAL  42           H        VAL  42  -5.493  -8.850   1.068
  334    HA   VAL  42           HA       VAL  42  -7.963  -7.445   0.368
  335    HB   VAL  42           HB       VAL  42  -6.628  -7.694   3.077
  336   1HG1  VAL  42          1HG1      VAL  42  -9.389  -6.764   2.307
  337   2HG1  VAL  42          2HG1      VAL  42  -8.075  -5.756   2.916
  338   3HG1  VAL  42          3HG1      VAL  42  -8.801  -6.983   3.954
  339   1HG2  VAL  42          1HG2      VAL  42  -8.363  -9.375   3.570
  340   2HG2  VAL  42          2HG2      VAL  42  -7.299  -9.889   2.263
  341   3HG2  VAL  42          3HG2      VAL  42  -8.914  -9.284   1.897
  342    HA   PRO  43           HA       PRO  43  -5.251  -3.866  -0.161
  343   1HB   PRO  43          2HB       PRO  43  -7.566  -2.618  -1.409
  344   2HB   PRO  43          1HB       PRO  43  -6.022  -3.064  -2.138
  345   1HG   PRO  43          2HG       PRO  43  -8.354  -4.329  -2.725
  346   2HG   PRO  43          1HG       PRO  43  -6.775  -5.131  -2.785
  347   1HD   PRO  43          2HD       PRO  43  -8.873  -5.235  -0.649
  348   2HD   PRO  43          1HD       PRO  43  -7.867  -6.546  -1.306
  349    H    ILE  44           H        ILE  44  -5.001  -2.829   1.715
  350    HA   ILE  44           HA       ILE  44  -7.241  -1.955   3.286
  351    HB   ILE  44           HB       ILE  44  -4.304  -1.298   3.632
  352   1HG1  ILE  44          2HG1      ILE  44  -4.684  -3.715   3.702
  353   2HG1  ILE  44          1HG1      ILE  44  -4.299  -3.106   5.307
  354   1HG2  ILE  44          1HG2      ILE  44  -6.616  -1.094   5.559
  355   2HG2  ILE  44          2HG2      ILE  44  -5.745   0.252   4.824
  356   3HG2  ILE  44          3HG2      ILE  44  -4.920  -0.816   5.959
  357   1HD1  ILE  44          1HD1      ILE  44  -7.043  -3.809   4.282
  358   2HD1  ILE  44          2HD1      ILE  44  -6.678  -3.175   5.887
  359   3HD1  ILE  44          3HD1      ILE  44  -6.064  -4.755   5.405
  360    H    MET  45           H        MET  45  -8.383  -0.505   2.054
  361    HA   MET  45           HA       MET  45  -7.066   1.842   0.966
  362   1HB   MET  45          2HB       MET  45  -9.973   1.017   0.996
  363   2HB   MET  45          1HB       MET  45  -9.343   2.435   0.170
  364   1HG   MET  45          2HG       MET  45  -7.983   1.005  -1.268
  365   2HG   MET  45          1HG       MET  45  -8.588  -0.417  -0.422
  366   1HE   MET  45          1HE       MET  45  -9.456   2.556  -2.811
  367   2HE   MET  45          2HE       MET  45 -10.605   2.824  -1.498
  368   3HE   MET  45          3HE       MET  45 -11.185   2.323  -3.082
  369    H    LEU  46           H        LEU  46  -7.664   1.075   3.942
  370    HA   LEU  46           HA       LEU  46  -9.158   3.354   4.885
  371   1HB   LEU  46          2HB       LEU  46  -7.476   1.360   6.413
  372   2HB   LEU  46          1HB       LEU  46  -8.579   2.523   7.122
  373    HG   LEU  46           HG       LEU  46  -9.414   0.261   5.302
  374   1HD1  LEU  46          1HD1      LEU  46  -8.530  -0.566   7.425
  375   2HD1  LEU  46          2HD1      LEU  46 -10.275  -0.800   7.319
  376   3HD1  LEU  46          3HD1      LEU  46  -9.618   0.510   8.301
  377   1HD2  LEU  46          1HD2      LEU  46 -10.933   2.159   5.215
  378   2HD2  LEU  46          2HD2      LEU  46 -11.020   2.193   6.975
  379   3HD2  LEU  46          3HD2      LEU  46 -11.674   0.817   6.087
  380    H    GLU  47           H        GLU  47  -8.293   5.318   4.940
  381    HA   GLU  47           HA       GLU  47  -5.580   5.857   4.451
  382   1HB   GLU  47          2HB       GLU  47  -7.331   7.448   3.920
  383   2HB   GLU  47          1HB       GLU  47  -7.751   7.605   5.618
  384   1HG   GLU  47          2HG       GLU  47  -5.569   8.601   6.062
  385   2HG   GLU  47          1HG       GLU  47  -5.157   8.454   4.354
  386    H    ALA  48           H        ALA  48  -7.366   5.453   7.437
  387    HA   ALA  48           HA       ALA  48  -5.438   6.546   9.194
  388   1HB   ALA  48          1HB       ALA  48  -7.774   6.160   9.833
  389   2HB   ALA  48          2HB       ALA  48  -6.650   5.391  10.955
  390   3HB   ALA  48          3HB       ALA  48  -7.500   4.420   9.753
  391    H    GLU  49           H        GLU  49  -5.587   3.555   7.483
  392    HA   GLU  49           HA       GLU  49  -3.360   2.494   9.094
  393   1HB   GLU  49          2HB       GLU  49  -5.593   1.011   7.700
  394   2HB   GLU  49          1HB       GLU  49  -4.167   0.220   8.359
  395   1HG   GLU  49          2HG       GLU  49  -4.748   0.991  10.586
  396   2HG   GLU  49          1HG       GLU  49  -6.140   1.853   9.940
  397    H    ALA  50           H        ALA  50  -3.460   4.217   6.631
  398    HA   ALA  50           HA       ALA  50  -2.181   2.430   4.690
  399   1HB   ALA  50          1HB       ALA  50  -2.481   4.202   3.075
  400   2HB   ALA  50          2HB       ALA  50  -3.074   5.290   4.331
  401   3HB   ALA  50          3HB       ALA  50  -4.011   3.863   3.884
  402    H    ARG  51           H        ARG  51  -0.460   3.921   3.348
  403    HA   ARG  51           HA       ARG  51   1.301   5.278   5.248
  404   1HB   ARG  51          2HB       ARG  51   3.266   4.008   4.315
  405   2HB   ARG  51          1HB       ARG  51   2.183   3.061   5.327
  406   1HG   ARG  51          2HG       ARG  51   1.188   2.043   3.378
  407   2HG   ARG  51          1HG       ARG  51   2.144   3.072   2.312
  408   1HD   ARG  51          2HD       ARG  51   4.173   2.009   2.985
  409   2HD   ARG  51          1HD       ARG  51   3.354   1.137   4.281
  410    HE   ARG  51           HE       ARG  51   2.136  -0.058   2.467
  411   1HH1  ARG  51          1HH1      ARG  51   5.300   1.331   1.869
  412   2HH1  ARG  51          2HH1      ARG  51   5.618   0.295   0.509
  413   1HH2  ARG  51          1HH2      ARG  51   2.605  -1.450   0.718
  414   2HH2  ARG  51          2HH2      ARG  51   4.102  -1.277  -0.151
  415    H    SER  52           H        SER  52   2.634   6.818   4.345
  416    HA   SER  52           HA       SER  52   2.050   7.522   1.574
  417   1HB   SER  52          2HB       SER  52   1.803   9.329   3.087
  418   2HB   SER  52          1HB       SER  52   3.361   9.021   3.828
  419    HG   SER  52           HG       SER  52   2.721  10.430   1.556
  420    H    LEU  53           H        LEU  53   3.767   8.158   0.163
  421    HA   LEU  53           HA       LEU  53   5.798   6.138   0.085
  422   1HB   LEU  53          2HB       LEU  53   5.290   8.538  -1.672
  423   2HB   LEU  53          1HB       LEU  53   6.517   7.326  -1.998
  424    HG   LEU  53           HG       LEU  53   3.536   6.847  -1.905
  425   1HD1  LEU  53          1HD1      LEU  53   3.778   6.470  -4.310
  426   2HD1  LEU  53          2HD1      LEU  53   5.484   6.906  -4.203
  427   3HD1  LEU  53          3HD1      LEU  53   4.243   8.110  -3.857
  428   1HD2  LEU  53          1HD2      LEU  53   4.808   4.902  -1.129
  429   2HD2  LEU  53          2HD2      LEU  53   5.791   4.962  -2.594
  430   3HD2  LEU  53          3HD2      LEU  53   4.066   4.609  -2.701
  431    H    ASP  54           H        ASP  54   5.642   9.359   1.259
  432    HA   ASP  54           HA       ASP  54   8.579   9.549   1.314
  433   1HB   ASP  54          2HB       ASP  54   7.339  11.397   0.198
  434   2HB   ASP  54          1HB       ASP  54   6.535  11.742   1.724
  435    H    ALA  55           H        ALA  55   5.963   8.773   3.228
  436    HA   ALA  55           HA       ALA  55   7.230   9.774   5.683
  437   1HB   ALA  55          1HB       ALA  55   4.915  10.493   5.302
  438   2HB   ALA  55          2HB       ALA  55   5.080   9.513   6.759
  439   3HB   ALA  55          3HB       ALA  55   4.405   8.804   5.293
  440    H    GLU  56           H        GLU  56   7.833   7.266   4.050
  441    HA   GLU  56           HA       GLU  56   7.270   5.200   6.017
  442   1HB   GLU  56          2HB       GLU  56   8.780   5.098   3.401
  443   2HB   GLU  56          1HB       GLU  56   8.513   3.710   4.445
  444   1HG   GLU  56          2HG       GLU  56   6.050   4.130   4.183
  445   2HG   GLU  56          1HG       GLU  56   6.465   5.303   2.934
  446    H    ALA  57           H        ALA  57   9.405   3.675   6.180
  447    HA   ALA  57           HA       ALA  57  11.409   3.338   7.180
  448   1HB   ALA  57          1HB       ALA  57  12.342   4.765   5.406
  449   2HB   ALA  57          2HB       ALA  57  13.204   4.946   6.932
  450   3HB   ALA  57          3HB       ALA  57  12.062   6.186   6.416
  451    HA   PRO  58           HA       PRO  58  10.712   4.579  11.344
  452   1HB   PRO  58          2HB       PRO  58  13.601   4.229  11.826
  453   2HB   PRO  58          1HB       PRO  58  12.228   3.390  12.555
  454   1HG   PRO  58          2HG       PRO  58  13.821   2.168  10.785
  455   2HG   PRO  58          1HG       PRO  58  12.074   1.862  10.829
  456   1HD   PRO  58          2HD       PRO  58  13.650   3.582   8.947
  457   2HD   PRO  58          1HD       PRO  58  12.294   2.485   8.604
  458    H    ALA  59           H        ALA  59  10.272   6.770  11.061
  459    HA   ALA  59           HA       ALA  59  12.278   8.775  10.920
  460   1HB   ALA  59          1HB       ALA  59   9.959   9.198  10.251
  461   2HB   ALA  59          2HB       ALA  59  10.490  10.341  11.483
  462   3HB   ALA  59          3HB       ALA  59   9.436   8.996  11.923
  463    H    GLN  60           H        GLN  60  10.525   7.230  13.541
  464    HA   GLN  60           HA       GLN  60  11.875   8.634  15.645
  465   1HB   GLN  60          2HB       GLN  60   9.656   7.482  15.895
  466   2HB   GLN  60          1HB       GLN  60  10.480   5.943  15.706
  467   1HG   GLN  60          2HG       GLN  60  10.209   6.151  17.995
  468   2HG   GLN  60          1HG       GLN  60  11.877   6.659  17.729
  469   1HE2  GLN  60          1HE2      GLN  60   8.654   7.669  18.528
  470   2HE2  GLN  60          2HE2      GLN  60   9.076   9.235  19.145
  471    HA   PRO  61           HA       PRO  61  15.827   6.640  15.100
  472   1HB   PRO  61          2HB       PRO  61  16.596   6.877  17.778
  473   2HB   PRO  61          1HB       PRO  61  16.878   8.073  16.511
  474   1HG   PRO  61          2HG       PRO  61  14.727   7.966  18.574
  475   2HG   PRO  61          1HG       PRO  61  15.593   9.369  17.922
  476   1HD   PRO  61          2HD       PRO  61  13.101   8.816  17.155
  477   2HD   PRO  61          1HD       PRO  61  14.298   9.432  15.994
  478    H    SER  62           H        SER  62  15.770   4.507  14.800
  479    HA   SER  62           HA       SER  62  14.773   2.789  16.959
  480   1HB   SER  62          2HB       SER  62  13.721   2.557  14.721
  481   2HB   SER  62          1HB       SER  62  15.289   2.110  14.051
  482    HG   SER  62           HG       SER  62  14.534   0.169  14.526
  483    H    LEU  63           H        LEU  63  16.227   1.894  18.221
  484    HA   LEU  63           HA       LEU  63  19.007   1.714  17.550
  485   1HB   LEU  63          2HB       LEU  63  17.741   1.929  19.877
  486   2HB   LEU  63          1HB       LEU  63  17.772   0.180  19.803
  487    HG   LEU  63           HG       LEU  63  20.237   1.917  19.659
  488   1HD1  LEU  63          1HD1      LEU  63  20.625   1.218  21.979
  489   2HD1  LEU  63          2HD1      LEU  63  19.038   0.447  21.998
  490   3HD1  LEU  63          3HD1      LEU  63  19.168   2.196  21.809
  491   1HD2  LEU  63          1HD2      LEU  63  21.426  -0.162  20.160
  492   2HD2  LEU  63          2HD2      LEU  63  20.536  -0.276  18.642
  493   3HD2  LEU  63          3HD2      LEU  63  19.902  -1.049  20.095
  494    H    GLU  64           H        GLU  64  19.999   0.052  16.520
  495    HA   GLU  64           HA       GLU  64  18.324  -1.992  15.434
  496   1HB   GLU  64          2HB       GLU  64  21.231  -1.349  15.147
  497   2HB   GLU  64          1HB       GLU  64  20.575  -2.851  14.516
  498   1HG   GLU  64          2HG       GLU  64  18.847  -1.295  13.362
  499   2HG   GLU  64          1HG       GLU  64  20.068  -0.052  13.643
  500    H    HIS  65           H        HIS  65  18.085  -4.014  15.951
  501    HA   HIS  65           HA       HIS  65  20.106  -5.401  17.519
  502   1HB   HIS  65          2HB       HIS  65  18.411  -6.366  19.054
  503   2HB   HIS  65          1HB       HIS  65  18.582  -4.630  19.253
  504    HD1  HIS  65           1HD      HIS  65  16.147  -7.266  18.267
  505    HD2  HIS  65           2HD      HIS  65  16.331  -3.113  18.474
  506    HE1  HIS  65           1HE      HIS  65  13.776  -6.468  18.045
  507    HE2  HIS  65           2HE      HIS  65  13.891  -3.980  18.422
  508    H    HIS  66           H        HIS  66  19.421  -5.460  14.794
  509    HA   HIS  66           HA       HIS  66  17.517  -7.417  14.120
  510   1HB   HIS  66          2HB       HIS  66  18.556  -7.467  11.901
  511   2HB   HIS  66          1HB       HIS  66  18.342  -5.819  12.463
  512    HD1  HIS  66           1HD      HIS  66  20.329  -4.338  12.190
  513    HD2  HIS  66           2HD      HIS  66  21.366  -8.371  12.208
  514    HE1  HIS  66           1HE      HIS  66  22.782  -4.414  11.679
  515    HE2  HIS  66           2HE      HIS  66  23.342  -6.862  11.486
  516    H    HIS  67           H        HIS  67  17.646  -9.596  13.715
  517    HA   HIS  67           HA       HIS  67  19.850 -10.902  15.116
  518   1HB   HIS  67          2HB       HIS  67  17.390 -11.333  15.667
  519   2HB   HIS  67          1HB       HIS  67  17.309 -12.211  14.145
  520    HD1  HIS  67           1HD      HIS  67  17.853 -12.743  17.622
  521    HD2  HIS  67           2HD      HIS  67  19.418 -14.399  14.139
  522    HE1  HIS  67           1HE      HIS  67  18.862 -14.947  18.307
  523    HE2  HIS  67           2HE      HIS  67  19.909 -15.876  16.208
  524    H    HIS  68           H        HIS  68  21.477 -11.651  13.970
  525    HA   HIS  68           HA       HIS  68  21.072 -12.491  11.192
  526   1HB   HIS  68          2HB       HIS  68  22.962 -11.053  11.418
  527   2HB   HIS  68          1HB       HIS  68  23.542 -11.921  12.836
  528    HD1  HIS  68           1HD      HIS  68  23.123 -12.466   9.094
  529    HD2  HIS  68           2HD      HIS  68  25.362 -13.865  12.310
  530    HE1  HIS  68           1HE      HIS  68  24.816 -14.050   8.112
  531    HE2  HIS  68           2HE      HIS  68  25.951 -15.094  10.112
  532    H    HIS  69           H        HIS  69  20.549 -14.557  10.880
  533    HA   HIS  69           HA       HIS  69  21.304 -16.464  12.978
  534   1HB   HIS  69          2HB       HIS  69  19.405 -17.873  12.156
  535   2HB   HIS  69          1HB       HIS  69  18.923 -16.329  12.843
  536    HD1  HIS  69           1HD      HIS  69  18.084 -18.454  10.184
  537    HD2  HIS  69           2HD      HIS  69  18.604 -14.343  10.512
  538    HE1  HIS  69           1HE      HIS  69  16.839 -17.453   8.237
  539    HE2  HIS  69           2HE      HIS  69  17.196 -14.963   8.437
  540    H    HIS  70           H        HIS  70  23.383 -16.572  11.965
  541    HA   HIS  70           HA       HIS  70  23.792 -19.018  10.745
  542   1HB   HIS  70          2HB       HIS  70  22.887 -17.914   8.685
  543   2HB   HIS  70          1HB       HIS  70  24.198 -16.742   8.780
  544    HD1  HIS  70           1HD      HIS  70  26.645 -17.686   8.385
  545    HD2  HIS  70           2HD      HIS  70  23.550 -20.324   7.516
  546    HE1  HIS  70           1HE      HIS  70  27.680 -19.514   7.003
  547    HE2  HIS  70           2HE      HIS  70  25.838 -21.201   6.677
  Start of MODEL   15
    1   1H    MET   1          1H        MET   1  -0.396 -15.682  -9.140
    2   2H    MET   1          2H        MET   1   0.545 -16.583  -8.058
    3   3H    MET   1          3H        MET   1  -0.087 -15.079  -7.587
    4    HA   MET   1           HA       MET   1  -1.670 -17.504  -8.221
    5   1HB   MET   1          2HB       MET   1  -1.121 -16.099  -5.594
    6   2HB   MET   1          1HB       MET   1  -2.295 -17.389  -5.812
    7   1HG   MET   1          2HG       MET   1  -0.512 -18.920  -6.439
    8   2HG   MET   1          1HG       MET   1   0.669 -17.627  -6.257
    9   1HE   MET   1          1HE       MET   1  -0.505 -16.120  -3.676
   10   2HE   MET   1          2HE       MET   1   1.211 -16.444  -3.921
   11   3HE   MET   1          3HE       MET   1   0.436 -16.893  -2.402
   12    H    GLU   2           H        GLU   2  -3.797 -16.807  -6.570
   13    HA   GLU   2           HA       GLU   2  -5.166 -14.916  -8.211
   14   1HB   GLU   2          2HB       GLU   2  -5.981 -16.293  -5.646
   15   2HB   GLU   2          1HB       GLU   2  -7.056 -15.305  -6.626
   16   1HG   GLU   2          2HG       GLU   2  -7.624 -17.319  -7.466
   17   2HG   GLU   2          1HG       GLU   2  -6.239 -17.007  -8.508
   18    H    SER   3           H        SER   3  -6.776 -13.621  -6.299
   19    HA   SER   3           HA       SER   3  -6.941 -11.660  -5.210
   20   1HB   SER   3          2HB       SER   3  -4.096 -12.210  -4.342
   21   2HB   SER   3          1HB       SER   3  -5.107 -10.910  -3.711
   22    HG   SER   3           HG       SER   3  -5.594 -13.717  -3.525
   23    H    ARG   4           H        ARG   4  -3.880 -11.967  -6.978
   24    HA   ARG   4           HA       ARG   4  -4.284  -9.216  -7.963
   25   1HB   ARG   4          2HB       ARG   4  -1.719 -10.817  -8.027
   26   2HB   ARG   4          1HB       ARG   4  -1.918  -9.130  -8.469
   27   1HG   ARG   4          2HG       ARG   4  -2.377  -8.537  -6.179
   28   2HG   ARG   4          1HG       ARG   4  -2.313 -10.238  -5.700
   29   1HD   ARG   4          2HD       ARG   4  -0.052  -8.572  -6.800
   30   2HD   ARG   4          1HD       ARG   4  -0.219  -9.168  -5.149
   31    HE   ARG   4           HE       ARG   4  -0.212 -11.252  -7.142
   32   1HH1  ARG   4          1HH1      ARG   4   1.831  -9.187  -5.169
   33   2HH1  ARG   4          2HH1      ARG   4   3.163 -10.307  -5.170
   34   1HH2  ARG   4          1HH2      ARG   4   1.546 -12.713  -7.140
   35   2HH2  ARG   4          2HH2      ARG   4   2.997 -12.304  -6.277
   36    H    LEU   5           H        LEU   5  -5.692  -9.733  -9.664
   37    HA   LEU   5           HA       LEU   5  -4.372 -11.165 -11.874
   38   1HB   LEU   5          2HB       LEU   5  -7.305 -11.103 -11.183
   39   2HB   LEU   5          1HB       LEU   5  -6.707 -11.631 -12.741
   40    HG   LEU   5           HG       LEU   5  -5.335 -13.359 -11.386
   41   1HD1  LEU   5          1HD1      LEU   5  -6.345 -14.032  -9.273
   42   2HD1  LEU   5          2HD1      LEU   5  -7.455 -12.665  -9.360
   43   3HD1  LEU   5          3HD1      LEU   5  -5.723 -12.384  -9.184
   44   1HD2  LEU   5          1HD2      LEU   5  -7.173 -13.943 -12.858
   45   2HD2  LEU   5          2HD2      LEU   5  -8.335 -13.556 -11.591
   46   3HD2  LEU   5          3HD2      LEU   5  -7.229 -14.914 -11.386
   47    H    LEU   6           H        LEU   6  -7.425  -9.547 -12.270
   48    HA   LEU   6           HA       LEU   6  -6.073  -7.194 -13.368
   49   1HB   LEU   6          2HB       LEU   6  -6.683  -8.836 -15.190
   50   2HB   LEU   6          1HB       LEU   6  -8.364  -8.578 -14.768
   51    HG   LEU   6           HG       LEU   6  -6.595  -6.280 -15.585
   52   1HD1  LEU   6          1HD1      LEU   6  -8.219  -8.058 -17.401
   53   2HD1  LEU   6          2HD1      LEU   6  -6.458  -7.942 -17.361
   54   3HD1  LEU   6          3HD1      LEU   6  -7.422  -6.552 -17.865
   55   1HD2  LEU   6          1HD2      LEU   6  -8.723  -5.281 -16.261
   56   2HD2  LEU   6          2HD2      LEU   6  -8.731  -5.709 -14.552
   57   3HD2  LEU   6          3HD2      LEU   6  -9.579  -6.723 -15.721
   58    H    ASP   7           H        ASP   7  -6.785  -5.503 -12.395
   59    HA   ASP   7           HA       ASP   7  -9.524  -4.810 -12.162
   60   1HB   ASP   7          2HB       ASP   7  -9.197  -6.399 -10.175
   61   2HB   ASP   7          1HB       ASP   7  -8.098  -5.192  -9.517
   62    H    ILE   8           H        ILE   8  -6.243  -4.428 -11.052
   63    HA   ILE   8           HA       ILE   8  -4.746  -2.759 -11.247
   64    HB   ILE   8           HB       ILE   8  -6.817  -1.310 -12.906
   65   1HG1  ILE   8          2HG1      ILE   8  -4.551  -3.122 -13.776
   66   2HG1  ILE   8          1HG1      ILE   8  -6.255  -3.558 -13.792
   67   1HG2  ILE   8          1HG2      ILE   8  -3.825  -0.958 -12.722
   68   2HG2  ILE   8          2HG2      ILE   8  -5.040   0.152 -12.088
   69   3HG2  ILE   8          3HG2      ILE   8  -4.896  -0.098 -13.827
   70   1HD1  ILE   8          1HD1      ILE   8  -6.694  -1.820 -15.439
   71   2HD1  ILE   8          2HD1      ILE   8  -5.463  -2.951 -16.008
   72   3HD1  ILE   8          3HD1      ILE   8  -4.991  -1.362 -15.408
   73    H    LEU   9           H        LEU   9  -4.817  -2.331  -9.059
   74    HA   LEU   9           HA       LEU   9  -6.271   0.111  -8.321
   75   1HB   LEU   9          2HB       LEU   9  -5.018  -2.014  -6.576
   76   2HB   LEU   9          1HB       LEU   9  -5.749  -0.539  -5.975
   77    HG   LEU   9           HG       LEU   9  -7.196  -2.739  -7.458
   78   1HD1  LEU   9          1HD1      LEU   9  -8.291  -3.148  -5.307
   79   2HD1  LEU   9          2HD1      LEU   9  -7.267  -1.924  -4.556
   80   3HD1  LEU   9          3HD1      LEU   9  -6.549  -3.398  -5.204
   81   1HD2  LEU   9          1HD2      LEU   9  -8.239  -0.209  -6.187
   82   2HD2  LEU   9          2HD2      LEU   9  -9.224  -1.499  -6.876
   83   3HD2  LEU   9          3HD2      LEU   9  -8.164  -0.548  -7.916
   84    H    VAL  10           H        VAL  10  -5.087   1.874  -8.502
   85    HA   VAL  10           HA       VAL  10  -2.273   1.784  -7.676
   86    HB   VAL  10           HB       VAL  10  -1.732   3.410  -9.502
   87   1HG1  VAL  10          1HG1      VAL  10  -1.636   1.723 -11.302
   88   2HG1  VAL  10          2HG1      VAL  10  -2.692   0.683 -10.348
   89   3HG1  VAL  10          3HG1      VAL  10  -1.090   1.103  -9.745
   90   1HG2  VAL  10          1HG2      VAL  10  -4.010   4.184  -9.960
   91   2HG2  VAL  10          2HG2      VAL  10  -4.423   2.591 -10.595
   92   3HG2  VAL  10          3HG2      VAL  10  -3.225   3.587 -11.421
   93    H    CYS  11           H        CYS  11  -1.486   3.654  -6.721
   94    HA   CYS  11           HA       CYS  11  -3.287   5.301  -5.347
   95   1HB   CYS  11          2HB       CYS  11  -0.591   6.381  -5.886
   96   2HB   CYS  11          1HB       CYS  11  -1.423   6.144  -4.354
   97    HG   CYS  11           HG       CYS  11   1.066   4.666  -4.724
   98    HA   PRO  12           HA       PRO  12  -4.637   7.997  -8.621
   99   1HB   PRO  12          2HB       PRO  12  -4.926   9.953  -6.394
  100   2HB   PRO  12          1HB       PRO  12  -6.109   9.441  -7.603
  101   1HG   PRO  12          2HG       PRO  12  -6.265   8.569  -5.091
  102   2HG   PRO  12          1HG       PRO  12  -6.638   7.496  -6.453
  103   1HD   PRO  12          2HD       PRO  12  -4.203   7.596  -4.727
  104   2HD   PRO  12          1HD       PRO  12  -5.022   6.196  -5.447
  105    H    VAL  13           H        VAL  13  -2.308   9.062  -6.197
  106    HA   VAL  13           HA       VAL  13  -1.593  11.426  -7.685
  107    HB   VAL  13           HB       VAL  13  -0.224  10.268  -5.255
  108   1HG1  VAL  13          1HG1      VAL  13  -0.202  13.062  -6.405
  109   2HG1  VAL  13          2HG1      VAL  13   1.127  11.905  -6.482
  110   3HG1  VAL  13          3HG1      VAL  13   0.605  12.547  -4.925
  111   1HG2  VAL  13          1HG2      VAL  13  -1.579  11.864  -3.956
  112   2HG2  VAL  13          2HG2      VAL  13  -2.582  10.669  -4.775
  113   3HG2  VAL  13          3HG2      VAL  13  -2.453  12.303  -5.423
  114    H    CYS  14           H        CYS  14   0.669   8.976  -6.356
  115    HA   CYS  14           HA       CYS  14   2.491   9.687  -8.501
  116   1HB   CYS  14          2HB       CYS  14   3.001   7.673  -6.318
  117   2HB   CYS  14          1HB       CYS  14   4.180   8.603  -7.238
  118    HG   CYS  14           HG       CYS  14   2.333   9.506  -4.566
  119    H    LYS  15           H        LYS  15   0.094   7.398  -8.171
  120    HA   LYS  15           HA       LYS  15  -0.375   5.344  -9.050
  121   1HB   LYS  15          2HB       LYS  15   1.596   6.234 -11.171
  122   2HB   LYS  15          1HB       LYS  15   0.388   4.972 -11.346
  123   1HG   LYS  15          2HG       LYS  15  -0.229   7.880 -10.860
  124   2HG   LYS  15          1HG       LYS  15  -0.237   7.096 -12.435
  125   1HD   LYS  15          2HD       LYS  15  -1.926   5.471 -11.437
  126   2HD   LYS  15          1HD       LYS  15  -2.060   6.608 -10.096
  127   1HE   LYS  15          2HE       LYS  15  -2.648   7.161 -13.003
  128   2HE   LYS  15          1HE       LYS  15  -3.821   7.028 -11.697
  129   1HZ   LYS  15          1HZ       LYS  15  -2.725   8.985 -10.660
  130   2HZ   LYS  15          2HZ       LYS  15  -3.460   9.319 -12.152
  131   3HZ   LYS  15          3HZ       LYS  15  -1.775   9.151 -12.059
  132    H    GLY  16           H        GLY  16   1.540   5.288  -7.031
  133   1HA   GLY  16          2HA       GLY  16   3.983   4.080  -7.944
  134   2HA   GLY  16          1HA       GLY  16   3.542   4.437  -6.291
  135    H    ARG  17           H        ARG  17   1.379   2.573  -8.159
  136    HA   ARG  17           HA       ARG  17   0.813   0.372  -8.271
  137   1HB   ARG  17          2HB       ARG  17   3.584  -0.162  -7.188
  138   2HB   ARG  17          1HB       ARG  17   2.515  -1.348  -7.920
  139   1HG   ARG  17          2HG       ARG  17   2.660  -0.199 -10.054
  140   2HG   ARG  17          1HG       ARG  17   3.674   1.050  -9.327
  141   1HD   ARG  17          2HD       ARG  17   5.365  -0.655  -8.799
  142   2HD   ARG  17          1HD       ARG  17   4.355  -1.881  -9.564
  143    HE   ARG  17           HE       ARG  17   5.001   0.346 -11.282
  144   1HH1  ARG  17          1HH1      ARG  17   6.104  -2.776 -10.092
  145   2HH1  ARG  17          2HH1      ARG  17   7.090  -3.089 -11.496
  146   1HH2  ARG  17          1HH2      ARG  17   6.300  -0.087 -13.116
  147   2HH2  ARG  17          2HH2      ARG  17   7.196  -1.577 -13.194
  148    H    LEU  18           H        LEU  18  -0.552  -0.673  -6.971
  149    HA   LEU  18           HA       LEU  18  -0.068  -0.583  -4.073
  150   1HB   LEU  18          2HB       LEU  18  -2.618  -1.016  -5.631
  151   2HB   LEU  18          1HB       LEU  18  -2.496  -1.160  -3.888
  152    HG   LEU  18           HG       LEU  18  -2.039   1.356  -5.495
  153   1HD1  LEU  18          1HD1      LEU  18  -4.242   0.587  -3.581
  154   2HD1  LEU  18          2HD1      LEU  18  -4.391   0.700  -5.335
  155   3HD1  LEU  18          3HD1      LEU  18  -4.061   2.147  -4.384
  156   1HD2  LEU  18          1HD2      LEU  18  -1.929   0.860  -2.523
  157   2HD2  LEU  18          2HD2      LEU  18  -1.877   2.445  -3.295
  158   3HD2  LEU  18          3HD2      LEU  18  -0.573   1.288  -3.567
  159    H    GLU  19           H        GLU  19   0.195  -2.381  -2.938
  160    HA   GLU  19           HA       GLU  19  -0.193  -4.964  -4.303
  161   1HB   GLU  19          2HB       GLU  19   2.133  -3.917  -2.769
  162   2HB   GLU  19          1HB       GLU  19   1.725  -5.612  -2.552
  163   1HG   GLU  19          2HG       GLU  19   2.156  -4.360  -5.248
  164   2HG   GLU  19          1HG       GLU  19   3.444  -5.114  -4.310
  165    H    PHE  20           H        PHE  20  -1.597  -6.234  -3.332
  166    HA   PHE  20           HA       PHE  20  -2.725  -5.476  -0.801
  167   1HB   PHE  20          2HB       PHE  20  -4.168  -6.313  -2.593
  168   2HB   PHE  20          1HB       PHE  20  -3.300  -7.843  -2.600
  169    HD1  PHE  20           1HD      PHE  20  -5.409  -5.658  -0.470
  170    HD2  PHE  20           2HD      PHE  20  -3.970  -9.594  -1.214
  171    HE1  PHE  20           1HE      PHE  20  -6.973  -6.545   1.210
  172    HE2  PHE  20           2HE      PHE  20  -5.528 -10.486   0.467
  173    HZ   PHE  20           HZ       PHE  20  -7.033  -8.963   1.681
  174    H    GLN  21           H        GLN  21  -1.762  -5.985   1.041
  175    HA   GLN  21           HA       GLN  21  -0.395  -8.568   1.258
  176   1HB   GLN  21          2HB       GLN  21  -0.179  -6.001   2.797
  177   2HB   GLN  21          1HB       GLN  21   0.368  -7.511   3.503
  178   1HG   GLN  21          2HG       GLN  21   1.338  -6.404   0.881
  179   2HG   GLN  21          1HG       GLN  21   2.164  -6.194   2.423
  180   1HE2  GLN  21          1HE2      GLN  21   4.004  -7.269   1.740
  181   2HE2  GLN  21          2HE2      GLN  21   4.045  -8.984   1.507
  182    H    ARG  22           H        ARG  22  -0.569  -9.377   3.693
  183    HA   ARG  22           HA       ARG  22  -3.442  -9.424   4.328
  184   1HB   ARG  22          2HB       ARG  22  -1.598 -11.799   4.027
  185   2HB   ARG  22          1HB       ARG  22  -3.199 -11.886   4.751
  186   1HG   ARG  22          2HG       ARG  22  -4.221 -11.193   2.679
  187   2HG   ARG  22          1HG       ARG  22  -2.636 -10.973   1.936
  188   1HD   ARG  22          2HD       ARG  22  -2.179 -13.351   2.173
  189   2HD   ARG  22          1HD       ARG  22  -3.730 -13.586   2.977
  190    HE   ARG  22           HE       ARG  22  -4.592 -12.608   0.703
  191   1HH1  ARG  22          1HH1      ARG  22  -1.997 -14.898   1.220
  192   2HH1  ARG  22          2HH1      ARG  22  -2.205 -15.686  -0.313
  193   1HH2  ARG  22          1HH2      ARG  22  -4.869 -13.642  -1.328
  194   2HH2  ARG  22          2HH2      ARG  22  -3.843 -14.978  -1.754
  195    H    ALA  23           H        ALA  23  -0.974  -8.160   5.524
  196    HA   ALA  23           HA       ALA  23  -0.676  -9.520   8.062
  197   1HB   ALA  23          1HB       ALA  23   0.831  -7.692   8.637
  198   2HB   ALA  23          2HB       ALA  23   0.345  -6.818   7.182
  199   3HB   ALA  23          3HB       ALA  23   1.224  -8.343   7.044
  200    H    GLN  24           H        GLN  24  -1.904  -6.383   6.947
  201    HA   GLN  24           HA       GLN  24  -3.825  -6.425   9.191
  202   1HB   GLN  24          2HB       GLN  24  -1.987  -4.683   9.372
  203   2HB   GLN  24          1HB       GLN  24  -2.639  -3.952   7.913
  204   1HG   GLN  24          2HG       GLN  24  -4.853  -3.847   9.214
  205   2HG   GLN  24          1HG       GLN  24  -3.850  -4.123  10.639
  206   1HE2  GLN  24          1HE2      GLN  24  -4.658  -1.931   8.087
  207   2HE2  GLN  24          2HE2      GLN  24  -3.875  -0.542   8.753
  208    H    ALA  25           H        ALA  25  -3.557  -7.034   6.109
  209    HA   ALA  25           HA       ALA  25  -4.792  -6.940   4.217
  210   1HB   ALA  25          1HB       ALA  25  -7.162  -6.387   4.316
  211   2HB   ALA  25          2HB       ALA  25  -6.961  -5.753   5.951
  212   3HB   ALA  25          3HB       ALA  25  -6.721  -7.472   5.635
  213    H    GLU  26           H        GLU  26  -2.987  -5.296   4.036
  214    HA   GLU  26           HA       GLU  26  -4.094  -2.604   3.613
  215   1HB   GLU  26          2HB       GLU  26  -1.813  -1.760   4.027
  216   2HB   GLU  26          1HB       GLU  26  -2.470  -2.618   5.413
  217   1HG   GLU  26          2HG       GLU  26  -0.731  -4.059   3.456
  218   2HG   GLU  26          1HG       GLU  26  -0.009  -3.008   4.670
  219    H    LEU  27           H        LEU  27  -3.565  -1.479   1.764
  220    HA   LEU  27           HA       LEU  27  -2.238  -2.993  -0.374
  221   1HB   LEU  27          2HB       LEU  27  -3.689  -0.349  -0.531
  222   2HB   LEU  27          1HB       LEU  27  -3.079  -1.272  -1.884
  223    HG   LEU  27           HG       LEU  27  -5.284  -2.204  -0.043
  224   1HD1  LEU  27          1HD1      LEU  27  -5.412  -1.031  -2.820
  225   2HD1  LEU  27          2HD1      LEU  27  -6.006  -0.280  -1.337
  226   3HD1  LEU  27          3HD1      LEU  27  -6.766  -1.750  -1.947
  227   1HD2  LEU  27          1HD2      LEU  27  -3.984  -4.012  -1.080
  228   2HD2  LEU  27          2HD2      LEU  27  -4.286  -3.306  -2.669
  229   3HD2  LEU  27          3HD2      LEU  27  -5.630  -3.935  -1.714
  230    H    VAL  28           H        VAL  28  -0.105  -2.795  -0.165
  231    HA   VAL  28           HA       VAL  28   1.179  -0.540   0.993
  232    HB   VAL  28           HB       VAL  28   2.399  -2.733  -0.696
  233   1HG1  VAL  28          1HG1      VAL  28   3.866  -0.806  -0.459
  234   2HG1  VAL  28          2HG1      VAL  28   4.480  -2.171   0.473
  235   3HG1  VAL  28          3HG1      VAL  28   3.657  -0.840   1.290
  236   1HG2  VAL  28          1HG2      VAL  28   2.927  -3.810   1.447
  237   2HG2  VAL  28          2HG2      VAL  28   1.189  -3.658   1.191
  238   3HG2  VAL  28          3HG2      VAL  28   2.018  -2.556   2.290
  239    H    CYS  29           H        CYS  29   1.645   1.339   0.104
  240    HA   CYS  29           HA       CYS  29   1.604   1.623  -2.817
  241   1HB   CYS  29          2HB       CYS  29   1.890   3.866  -0.824
  242   2HB   CYS  29          1HB       CYS  29   1.245   3.929  -2.463
  243    HG   CYS  29           HG       CYS  29  -0.610   1.885  -0.702
  244    H    ASN  30           H        ASN  30   3.511   1.387  -3.789
  245    HA   ASN  30           HA       ASN  30   5.936   1.254  -2.322
  246   1HB   ASN  30          2HB       ASN  30   5.414   1.251  -5.299
  247   2HB   ASN  30          1HB       ASN  30   7.001   0.990  -4.586
  248   1HD2  ASN  30          1HD2      ASN  30   3.802  -0.321  -5.034
  249   2HD2  ASN  30          2HD2      ASN  30   4.195  -1.939  -4.568
  250    H    ALA  31           H        ALA  31   5.199   3.383  -5.089
  251    HA   ALA  31           HA       ALA  31   7.450   5.037  -4.560
  252   1HB   ALA  31          1HB       ALA  31   6.564   4.735  -6.819
  253   2HB   ALA  31          2HB       ALA  31   6.621   6.440  -6.372
  254   3HB   ALA  31          3HB       ALA  31   5.085   5.574  -6.352
  255    H    ASP  32           H        ASP  32   4.105   5.177  -3.635
  256    HA   ASP  32           HA       ASP  32   4.188   7.933  -2.804
  257   1HB   ASP  32          2HB       ASP  32   2.126   5.789  -2.225
  258   2HB   ASP  32          1HB       ASP  32   1.925   7.514  -1.938
  259    H    ARG  33           H        ARG  33   4.915   4.871  -1.431
  260    HA   ARG  33           HA       ARG  33   5.533   4.124   0.602
  261   1HB   ARG  33          2HB       ARG  33   6.284   7.017   1.004
  262   2HB   ARG  33          1HB       ARG  33   6.729   5.711   2.099
  263   1HG   ARG  33          2HG       ARG  33   7.733   4.599   0.002
  264   2HG   ARG  33          1HG       ARG  33   7.641   6.214  -0.702
  265   1HD   ARG  33          2HD       ARG  33   9.048   5.516   1.866
  266   2HD   ARG  33          1HD       ARG  33   9.837   5.710   0.304
  267    HE   ARG  33           HE       ARG  33   8.795   7.813   2.018
  268   1HH1  ARG  33          1HH1      ARG  33  10.103   6.933  -1.107
  269   2HH1  ARG  33          2HH1      ARG  33  10.549   8.559  -1.520
  270   1HH2  ARG  33          1HH2      ARG  33   9.425   9.941   1.506
  271   2HH2  ARG  33          2HH2      ARG  33  10.191  10.268  -0.022
  272    H    LEU  34           H        LEU  34   3.039   4.074   0.515
  273    HA   LEU  34           HA       LEU  34   2.043   5.059   3.083
  274   1HB   LEU  34          2HB       LEU  34   0.549   5.264   0.456
  275   2HB   LEU  34          1HB       LEU  34  -0.141   5.593   2.031
  276    HG   LEU  34           HG       LEU  34   2.149   7.158   0.845
  277   1HD1  LEU  34          1HD1      LEU  34   0.496   8.895   0.380
  278   2HD1  LEU  34          2HD1      LEU  34  -0.793   7.819   0.918
  279   3HD1  LEU  34          3HD1      LEU  34   0.144   7.420  -0.521
  280   1HD2  LEU  34          1HD2      LEU  34   0.352   7.647   3.219
  281   2HD2  LEU  34          2HD2      LEU  34   1.531   8.793   2.583
  282   3HD2  LEU  34          3HD2      LEU  34   2.074   7.259   3.262
  283    H    ALA  35           H        ALA  35  -0.286   3.975   3.343
  284    HA   ALA  35           HA       ALA  35  -0.452   1.351   2.097
  285   1HB   ALA  35          1HB       ALA  35  -0.246   1.649   5.094
  286   2HB   ALA  35          2HB       ALA  35   0.978   0.946   4.038
  287   3HB   ALA  35          3HB       ALA  35  -0.584   0.152   4.225
  288    H    PHE  36           H        PHE  36  -2.453   1.551   1.285
  289    HA   PHE  36           HA       PHE  36  -4.571   2.875   2.729
  290   1HB   PHE  36          2HB       PHE  36  -4.606   1.284   0.154
  291   2HB   PHE  36          1HB       PHE  36  -5.997   2.128   0.819
  292    HD1  PHE  36           2HD      PHE  36  -5.346   4.697   1.482
  293    HD2  PHE  36           1HD      PHE  36  -3.566   2.333  -1.576
  294    HE1  PHE  36           2HE      PHE  36  -4.682   6.745   0.292
  295    HE2  PHE  36           1HE      PHE  36  -2.898   4.377  -2.773
  296    HZ   PHE  36           HZ       PHE  36  -3.458   6.586  -1.839
  297    HA   PRO  37           HA       PRO  37  -5.627  -0.886   4.870
  298   1HB   PRO  37          2HB       PRO  37  -7.557   0.144   6.442
  299   2HB   PRO  37          1HB       PRO  37  -5.844   0.478   6.718
  300   1HG   PRO  37          2HG       PRO  37  -7.931   2.191   5.448
  301   2HG   PRO  37          1HG       PRO  37  -6.598   2.653   6.521
  302   1HD   PRO  37          2HD       PRO  37  -6.582   2.923   3.770
  303   2HD   PRO  37          1HD       PRO  37  -5.131   2.849   4.788
  304    H    VAL  38           H        VAL  38  -6.808  -2.473   4.030
  305    HA   VAL  38           HA       VAL  38  -9.284  -1.884   2.616
  306    HB   VAL  38           HB       VAL  38  -7.967  -4.569   3.067
  307   1HG1  VAL  38          1HG1      VAL  38 -10.340  -4.721   2.528
  308   2HG1  VAL  38          2HG1      VAL  38  -9.354  -5.304   1.187
  309   3HG1  VAL  38          3HG1      VAL  38 -10.093  -3.705   1.107
  310   1HG2  VAL  38          1HG2      VAL  38  -7.768  -2.716   0.694
  311   2HG2  VAL  38          2HG2      VAL  38  -7.120  -4.354   0.779
  312   3HG2  VAL  38          3HG2      VAL  38  -6.474  -3.094   1.832
  313    H    ARG  39           H        ARG  39 -10.884  -1.422   4.037
  314    HA   ARG  39           HA       ARG  39 -11.047  -2.966   6.490
  315   1HB   ARG  39          2HB       ARG  39 -11.296  -0.505   6.569
  316   2HB   ARG  39          1HB       ARG  39 -12.755  -0.639   5.596
  317   1HG   ARG  39          2HG       ARG  39 -13.855  -1.887   7.347
  318   2HG   ARG  39          1HG       ARG  39 -12.375  -1.891   8.307
  319   1HD   ARG  39          2HD       ARG  39 -12.477   0.511   8.545
  320   2HD   ARG  39          1HD       ARG  39 -13.881   0.586   7.477
  321    HE   ARG  39           HE       ARG  39 -14.795  -1.037   9.370
  322   1HH1  ARG  39          1HH1      ARG  39 -13.049   1.991   9.678
  323   2HH1  ARG  39          2HH1      ARG  39 -13.764   2.387  11.212
  324   1HH2  ARG  39          1HH2      ARG  39 -15.728  -0.516  11.358
  325   2HH2  ARG  39          2HH2      ARG  39 -15.300   0.962  12.172
  326    H    ASP  40           H        ASP  40 -11.506  -4.901   5.318
  327    HA   ASP  40           HA       ASP  40 -12.882  -6.586   4.707
  328   1HB   ASP  40          2HB       ASP  40 -14.737  -4.953   6.442
  329   2HB   ASP  40          1HB       ASP  40 -15.169  -6.539   5.809
  330    H    GLY  41           H        GLY  41 -12.639  -5.564   2.493
  331   1HA   GLY  41          2HA       GLY  41 -13.981  -5.911   0.533
  332   2HA   GLY  41          1HA       GLY  41 -15.364  -5.287   1.420
  333    H    VAL  42           H        VAL  42 -13.990  -2.981   2.500
  334    HA   VAL  42           HA       VAL  42 -13.820  -1.425   0.005
  335    HB   VAL  42           HB       VAL  42 -14.782  -0.482   2.710
  336   1HG1  VAL  42          1HG1      VAL  42 -14.661   0.957   0.055
  337   2HG1  VAL  42          2HG1      VAL  42 -13.697   1.317   1.488
  338   3HG1  VAL  42          3HG1      VAL  42 -15.441   1.573   1.513
  339   1HG2  VAL  42          1HG2      VAL  42 -16.373  -1.992   1.619
  340   2HG2  VAL  42          2HG2      VAL  42 -16.335  -0.984   0.171
  341   3HG2  VAL  42          3HG2      VAL  42 -16.982  -0.338   1.679
  342    HA   PRO  43           HA       PRO  43  -9.691  -0.533   1.631
  343   1HB   PRO  43          2HB       PRO  43  -9.105   0.353  -1.059
  344   2HB   PRO  43          1HB       PRO  43  -8.445  -1.035  -0.191
  345   1HG   PRO  43          2HG       PRO  43 -10.103  -1.256  -2.346
  346   2HG   PRO  43          1HG       PRO  43  -9.986  -2.479  -1.069
  347   1HD   PRO  43          2HD       PRO  43 -12.050  -0.344  -1.472
  348   2HD   PRO  43          1HD       PRO  43 -12.258  -2.032  -0.951
  349    H    ILE  44           H        ILE  44  -9.466   1.314   2.687
  350    HA   ILE  44           HA       ILE  44 -10.889   3.678   1.933
  351    HB   ILE  44           HB       ILE  44  -8.724   3.393   4.026
  352   1HG1  ILE  44          2HG1      ILE  44 -10.538   1.822   4.466
  353   2HG1  ILE  44          1HG1      ILE  44 -10.591   3.141   5.627
  354   1HG2  ILE  44          1HG2      ILE  44  -9.768   5.378   5.025
  355   2HG2  ILE  44          2HG2      ILE  44 -10.882   5.465   3.660
  356   3HG2  ILE  44          3HG2      ILE  44  -9.155   5.701   3.402
  357   1HD1  ILE  44          1HD1      ILE  44 -12.346   2.898   3.194
  358   2HD1  ILE  44          2HD1      ILE  44 -12.419   4.170   4.414
  359   3HD1  ILE  44          3HD1      ILE  44 -12.816   2.507   4.849
  360    H    MET  45           H        MET  45 -10.242   4.609   0.098
  361    HA   MET  45           HA       MET  45  -7.420   4.831  -0.539
  362   1HB   MET  45          2HB       MET  45  -9.882   5.642  -2.099
  363   2HB   MET  45          1HB       MET  45  -8.231   5.752  -2.696
  364   1HG   MET  45          2HG       MET  45  -7.982   3.351  -2.561
  365   2HG   MET  45          1HG       MET  45  -9.590   3.199  -1.859
  366   1HE   MET  45          1HE       MET  45  -8.802   4.590  -6.194
  367   2HE   MET  45          2HE       MET  45  -7.524   4.138  -5.063
  368   3HE   MET  45          3HE       MET  45  -8.474   5.596  -4.783
  369    H    LEU  46           H        LEU  46  -9.036   6.453   1.554
  370    HA   LEU  46           HA       LEU  46  -8.432   9.168   0.656
  371   1HB   LEU  46          2HB       LEU  46  -9.686   8.173   3.220
  372   2HB   LEU  46          1HB       LEU  46  -9.474   9.858   2.788
  373    HG   LEU  46           HG       LEU  46 -11.234   7.876   1.346
  374   1HD1  LEU  46          1HD1      LEU  46 -12.067   8.561   3.553
  375   2HD1  LEU  46          2HD1      LEU  46 -13.071   9.176   2.239
  376   3HD1  LEU  46          3HD1      LEU  46 -11.940  10.252   3.062
  377   1HD2  LEU  46          1HD2      LEU  46 -12.003   9.792   0.057
  378   2HD2  LEU  46          2HD2      LEU  46 -10.272   9.536  -0.174
  379   3HD2  LEU  46          3HD2      LEU  46 -10.840  10.832   0.882
  380    H    GLU  47           H        GLU  47  -6.535  10.080   1.111
  381    HA   GLU  47           HA       GLU  47  -4.498   8.720   2.487
  382   1HB   GLU  47          2HB       GLU  47  -4.562  11.699   2.015
  383   2HB   GLU  47          1HB       GLU  47  -3.149  10.671   2.184
  384   1HG   GLU  47          2HG       GLU  47  -3.137  10.877  -0.061
  385   2HG   GLU  47          1HG       GLU  47  -4.243   9.507   0.053
  386    H    ALA  48           H        ALA  48  -6.952  10.896   3.612
  387    HA   ALA  48           HA       ALA  48  -5.634  11.665   6.027
  388   1HB   ALA  48          1HB       ALA  48  -8.547  11.798   5.285
  389   2HB   ALA  48          2HB       ALA  48  -7.339  13.053   5.005
  390   3HB   ALA  48          3HB       ALA  48  -7.790  12.616   6.653
  391    H    GLU  49           H        GLU  49  -7.051   8.768   5.072
  392    HA   GLU  49           HA       GLU  49  -7.280   7.970   7.895
  393   1HB   GLU  49          2HB       GLU  49  -8.963   6.936   5.607
  394   2HB   GLU  49          1HB       GLU  49  -9.005   6.333   7.257
  395   1HG   GLU  49          2HG       GLU  49  -9.636   8.694   7.942
  396   2HG   GLU  49          1HG       GLU  49  -9.903   8.998   6.225
  397    H    ALA  50           H        ALA  50  -5.285   7.813   5.487
  398    HA   ALA  50           HA       ALA  50  -4.760   4.926   5.634
  399   1HB   ALA  50          1HB       ALA  50  -3.727   6.944   3.644
  400   2HB   ALA  50          2HB       ALA  50  -5.055   5.817   3.374
  401   3HB   ALA  50          3HB       ALA  50  -3.421   5.208   3.624
  402    H    ARG  51           H        ARG  51  -2.741   4.189   6.275
  403    HA   ARG  51           HA       ARG  51  -1.223   6.116   7.839
  404   1HB   ARG  51          2HB       ARG  51  -0.178   4.235   8.919
  405   2HB   ARG  51          1HB       ARG  51  -1.911   3.953   8.871
  406   1HG   ARG  51          2HG       ARG  51  -1.538   2.486   6.887
  407   2HG   ARG  51          1HG       ARG  51   0.198   2.680   7.147
  408   1HD   ARG  51          2HD       ARG  51  -1.821   1.414   8.989
  409   2HD   ARG  51          1HD       ARG  51  -0.441   0.648   8.204
  410    HE   ARG  51           HE       ARG  51   0.556   2.709   9.792
  411   1HH1  ARG  51          1HH1      ARG  51  -1.133  -0.347  10.262
  412   2HH1  ARG  51          2HH1      ARG  51  -0.480  -0.587  11.848
  413   1HH2  ARG  51          1HH2      ARG  51   1.394   2.391  11.839
  414   2HH2  ARG  51          2HH2      ARG  51   0.965   0.963  12.758
  415    H    SER  52           H        SER  52   1.086   6.280   7.662
  416    HA   SER  52           HA       SER  52   1.913   5.954   4.876
  417   1HB   SER  52          2HB       SER  52   1.862   8.239   5.625
  418   2HB   SER  52          1HB       SER  52   2.885   7.858   6.996
  419    HG   SER  52           HG       SER  52   3.531   8.068   4.270
  420    H    LEU  53           H        LEU  53   4.177   5.601   4.462
  421    HA   LEU  53           HA       LEU  53   5.455   3.877   6.485
  422   1HB   LEU  53          2HB       LEU  53   5.839   3.873   3.482
  423   2HB   LEU  53          1HB       LEU  53   6.651   2.809   4.612
  424    HG   LEU  53           HG       LEU  53   3.680   2.841   4.083
  425   1HD1  LEU  53          1HD1      LEU  53   4.080   0.695   2.984
  426   2HD1  LEU  53          2HD1      LEU  53   5.816   0.897   3.227
  427   3HD1  LEU  53          3HD1      LEU  53   4.937   2.009   2.177
  428   1HD2  LEU  53          1HD2      LEU  53   4.220   2.153   6.360
  429   2HD2  LEU  53          2HD2      LEU  53   5.378   0.976   5.738
  430   3HD2  LEU  53          3HD2      LEU  53   3.655   0.784   5.403
  431    H    ASP  54           H        ASP  54   5.463   6.870   5.315
  432    HA   ASP  54           HA       ASP  54   8.391   7.195   5.485
  433   1HB   ASP  54          2HB       ASP  54   7.488   7.721   3.247
  434   2HB   ASP  54          1HB       ASP  54   6.380   8.883   3.969
  435    H    ALA  55           H        ALA  55   5.236   8.384   6.412
  436    HA   ALA  55           HA       ALA  55   6.498  10.330   8.236
  437   1HB   ALA  55          1HB       ALA  55   4.362  11.535   8.177
  438   2HB   ALA  55          2HB       ALA  55   3.720  10.323   7.066
  439   3HB   ALA  55          3HB       ALA  55   5.061  11.354   6.567
  440    H    GLU  56           H        GLU  56   5.940   7.414   8.639
  441    HA   GLU  56           HA       GLU  56   4.673   7.691  11.245
  442   1HB   GLU  56          2HB       GLU  56   3.068   6.831   9.296
  443   2HB   GLU  56          1HB       GLU  56   3.876   5.308   9.639
  444   1HG   GLU  56          2HG       GLU  56   3.237   5.648  12.056
  445   2HG   GLU  56          1HG       GLU  56   2.227   6.980  11.507
  446    H    ALA  57           H        ALA  57   4.649   4.795  11.615
  447    HA   ALA  57           HA       ALA  57   5.978   3.139  12.391
  448   1HB   ALA  57          1HB       ALA  57   8.057   4.269  10.511
  449   2HB   ALA  57          2HB       ALA  57   6.876   3.020  10.120
  450   3HB   ALA  57          3HB       ALA  57   8.131   2.698  11.313
  451    HA   PRO  58           HA       PRO  58   8.281   4.646  15.883
  452   1HB   PRO  58          2HB       PRO  58  10.590   3.083  15.753
  453   2HB   PRO  58          1HB       PRO  58   9.090   2.642  16.572
  454   1HG   PRO  58          2HG       PRO  58  10.071   1.867  13.859
  455   2HG   PRO  58          1HG       PRO  58   9.183   0.899  15.051
  456   1HD   PRO  58          2HD       PRO  58   7.952   1.907  12.910
  457   2HD   PRO  58          1HD       PRO  58   7.138   1.864  14.488
  458    H    ALA  59           H        ALA  59   9.802   6.159  16.375
  459    HA   ALA  59           HA       ALA  59  10.815   7.837  14.465
  460   1HB   ALA  59          1HB       ALA  59  10.617   8.400  16.848
  461   2HB   ALA  59          2HB       ALA  59  12.203   8.811  16.196
  462   3HB   ALA  59          3HB       ALA  59  12.008   7.373  17.198
  463    H    GLN  60           H        GLN  60  12.168   7.506  12.914
  464    HA   GLN  60           HA       GLN  60  13.924   6.843  11.662
  465   1HB   GLN  60          2HB       GLN  60  15.204   6.517  14.372
  466   2HB   GLN  60          1HB       GLN  60  16.071   6.226  12.870
  467   1HG   GLN  60          2HG       GLN  60  14.739   8.825  13.592
  468   2HG   GLN  60          1HG       GLN  60  16.449   8.474  13.835
  469   1HE2  GLN  60          1HE2      GLN  60  13.946   9.078  11.496
  470   2HE2  GLN  60          2HE2      GLN  60  14.989   9.381  10.153
  471    HA   PRO  61           HA       PRO  61  12.450   2.524  11.650
  472   1HB   PRO  61          2HB       PRO  61  13.463   2.920   8.878
  473   2HB   PRO  61          1HB       PRO  61  11.944   2.203   9.427
  474   1HG   PRO  61          2HG       PRO  61  11.984   4.652   8.382
  475   2HG   PRO  61          1HG       PRO  61  10.934   4.268   9.758
  476   1HD   PRO  61          2HD       PRO  61  13.513   5.772   9.701
  477   2HD   PRO  61          1HD       PRO  61  12.066   6.042  10.695
  478    H    SER  62           H        SER  62  13.686   0.832  12.152
  479    HA   SER  62           HA       SER  62  16.534   1.126  12.236
  480   1HB   SER  62          2HB       SER  62  14.850  -1.289  12.919
  481   2HB   SER  62          1HB       SER  62  16.497  -0.961  13.458
  482    HG   SER  62           HG       SER  62  15.132   1.151  14.146
  483    H    LEU  63           H        LEU  63  15.794   1.225   9.621
  484    HA   LEU  63           HA       LEU  63  16.311   0.469   7.561
  485   1HB   LEU  63          2HB       LEU  63  18.159  -1.353   9.088
  486   2HB   LEU  63          1HB       LEU  63  18.195  -1.124   7.350
  487    HG   LEU  63           HG       LEU  63  18.727   1.020   9.412
  488   1HD1  LEU  63          1HD1      LEU  63  21.033   0.903   8.555
  489   2HD1  LEU  63          2HD1      LEU  63  20.579  -0.492   7.579
  490   3HD1  LEU  63          3HD1      LEU  63  20.522  -0.592   9.337
  491   1HD2  LEU  63          1HD2      LEU  63  17.710   1.929   7.393
  492   2HD2  LEU  63          2HD2      LEU  63  18.906   1.096   6.402
  493   3HD2  LEU  63          3HD2      LEU  63  19.410   2.382   7.496
  494    H    GLU  64           H        GLU  64  14.255  -0.338   7.134
  495    HA   GLU  64           HA       GLU  64  13.698  -3.145   7.518
  496   1HB   GLU  64          2HB       GLU  64  12.261  -0.978   5.972
  497   2HB   GLU  64          1HB       GLU  64  11.707  -2.645   6.046
  498   1HG   GLU  64          2HG       GLU  64  12.046  -0.807   8.404
  499   2HG   GLU  64          1HG       GLU  64  10.519  -1.207   7.618
  500    H    HIS  65           H        HIS  65  13.386  -4.642   5.736
  501    HA   HIS  65           HA       HIS  65  15.590  -4.495   3.915
  502   1HB   HIS  65          2HB       HIS  65  14.534  -6.592   5.019
  503   2HB   HIS  65          1HB       HIS  65  13.356  -6.502   3.716
  504    HD1  HIS  65           1HD      HIS  65  16.689  -7.761   4.518
  505    HD2  HIS  65           2HD      HIS  65  14.573  -6.777   1.069
  506    HE1  HIS  65           1HE      HIS  65  17.916  -8.873   2.624
  507    HE2  HIS  65           2HE      HIS  65  16.692  -8.173   0.539
  508    H    HIS  66           H        HIS  66  15.247  -2.730   2.593
  509    HA   HIS  66           HA       HIS  66  12.749  -2.652   1.065
  510   1HB   HIS  66          2HB       HIS  66  13.588  -0.313   0.422
  511   2HB   HIS  66          1HB       HIS  66  13.055  -0.561   2.078
  512    HD1  HIS  66           1HD      HIS  66  14.649   0.157   3.865
  513    HD2  HIS  66           2HD      HIS  66  16.530  -0.303   0.183
  514    HE1  HIS  66           1HE      HIS  66  16.985   1.020   4.184
  515    HE2  HIS  66           2HE      HIS  66  18.101   0.776   1.938
  516    H    HIS  67           H        HIS  67  13.128  -4.189  -0.486
  517    HA   HIS  67           HA       HIS  67  15.482  -4.018  -2.163
  518   1HB   HIS  67          2HB       HIS  67  14.423  -6.205  -1.544
  519   2HB   HIS  67          1HB       HIS  67  13.040  -5.764  -2.540
  520    HD1  HIS  67           1HD      HIS  67  13.136  -6.900  -4.738
  521    HD2  HIS  67           2HD      HIS  67  16.929  -5.945  -3.335
  522    HE1  HIS  67           1HE      HIS  67  14.732  -7.716  -6.498
  523    HE2  HIS  67           2HE      HIS  67  16.999  -6.928  -5.728
  524    H    HIS  68           H        HIS  68  14.456  -1.657  -2.373
  525    HA   HIS  68           HA       HIS  68  13.510  -1.572  -5.136
  526   1HB   HIS  68          2HB       HIS  68  12.206  -0.167  -2.808
  527   2HB   HIS  68          1HB       HIS  68  12.113   0.502  -4.430
  528    HD1  HIS  68           1HD      HIS  68  10.308  -0.397  -5.921
  529    HD2  HIS  68           2HD      HIS  68  10.932  -2.780  -2.570
  530    HE1  HIS  68           1HE      HIS  68   8.456  -2.097  -5.946
  531    HE2  HIS  68           2HE      HIS  68   8.842  -3.529  -3.906
  532    H    HIS  69           H        HIS  69  15.540  -0.984  -5.804
  533    HA   HIS  69           HA       HIS  69  16.492   1.642  -4.867
  534   1HB   HIS  69          2HB       HIS  69  17.869  -0.149  -3.871
  535   2HB   HIS  69          1HB       HIS  69  18.212  -0.775  -5.479
  536    HD1  HIS  69           1HD      HIS  69  19.891   0.587  -6.953
  537    HD2  HIS  69           2HD      HIS  69  19.360   2.071  -3.102
  538    HE1  HIS  69           1HE      HIS  69  21.758   2.229  -6.592
  539    HE2  HIS  69           2HE      HIS  69  21.574   2.891  -4.168
  540    H    HIS  70           H        HIS  70  16.393   3.010  -6.515
  541    HA   HIS  70           HA       HIS  70  16.986   2.009  -9.212
  542   1HB   HIS  70          2HB       HIS  70  14.792   3.118  -8.967
  543   2HB   HIS  70          1HB       HIS  70  15.595   4.575  -8.393
  544    HD1  HIS  70           1HD      HIS  70  16.362   6.213 -10.130
  545    HD2  HIS  70           2HD      HIS  70  15.372   2.511 -11.753
  546    HE1  HIS  70           1HE      HIS  70  16.428   6.524 -12.626
  547    HE2  HIS  70           2HE      HIS  70  15.980   4.237 -13.586
  Start of MODEL   16
    1   1H    MET   1          1H        MET   1 -25.319 -11.998 -11.193
    2   2H    MET   1          2H        MET   1 -24.186 -12.515 -12.344
    3   3H    MET   1          3H        MET   1 -24.607 -10.875 -12.245
    4    HA   MET   1           HA       MET   1 -23.648 -10.694 -10.079
    5   1HB   MET   1          2HB       MET   1 -24.049 -12.951  -9.283
    6   2HB   MET   1          1HB       MET   1 -22.951 -13.608 -10.489
    7   1HG   MET   1          2HG       MET   1 -22.003 -13.498  -8.203
    8   2HG   MET   1          1HG       MET   1 -21.065 -12.634  -9.417
    9   1HE   MET   1          1HE       MET   1 -23.592 -12.265  -6.414
   10   2HE   MET   1          2HE       MET   1 -24.420 -11.442  -7.736
   11   3HE   MET   1          3HE       MET   1 -23.815 -10.514  -6.363
   12    H    GLU   2           H        GLU   2 -21.846  -9.555 -10.226
   13    HA   GLU   2           HA       GLU   2 -20.044 -10.080 -12.491
   14   1HB   GLU   2          2HB       GLU   2 -21.336  -7.809 -11.978
   15   2HB   GLU   2          1HB       GLU   2 -19.966  -7.538 -10.912
   16   1HG   GLU   2          2HG       GLU   2 -19.735  -8.158 -13.845
   17   2HG   GLU   2          1HG       GLU   2 -19.743  -6.531 -13.171
   18    H    SER   3           H        SER   3 -18.276 -11.185 -11.922
   19    HA   SER   3           HA       SER   3 -17.496 -11.172  -9.103
   20   1HB   SER   3          2HB       SER   3 -16.813 -13.161 -11.280
   21   2HB   SER   3          1HB       SER   3 -16.434 -13.329  -9.566
   22    HG   SER   3           HG       SER   3 -18.798 -13.130  -9.259
   23    H    ARG   4           H        ARG   4 -16.479  -9.664 -11.877
   24    HA   ARG   4           HA       ARG   4 -13.632  -9.975 -11.392
   25   1HB   ARG   4          2HB       ARG   4 -15.277  -8.476 -13.386
   26   2HB   ARG   4          1HB       ARG   4 -13.624  -7.962 -13.100
   27   1HG   ARG   4          2HG       ARG   4 -13.665  -9.413 -14.990
   28   2HG   ARG   4          1HG       ARG   4 -12.859 -10.247 -13.662
   29   1HD   ARG   4          2HD       ARG   4 -14.800 -11.581 -13.237
   30   2HD   ARG   4          1HD       ARG   4 -15.763 -10.630 -14.369
   31    HE   ARG   4           HE       ARG   4 -13.883 -11.525 -16.000
   32   1HH1  ARG   4          1HH1      ARG   4 -15.639 -13.260 -13.520
   33   2HH1  ARG   4          2HH1      ARG   4 -15.562 -14.791 -14.344
   34   1HH2  ARG   4          1HH2      ARG   4 -13.775 -13.522 -17.098
   35   2HH2  ARG   4          2HH2      ARG   4 -14.486 -14.936 -16.377
   36    H    LEU   5           H        LEU   5 -16.070  -7.425 -11.112
   37    HA   LEU   5           HA       LEU   5 -16.284  -5.652  -9.708
   38   1HB   LEU   5          2HB       LEU   5 -15.188  -7.378  -8.059
   39   2HB   LEU   5          1HB       LEU   5 -13.768  -6.372  -8.248
   40    HG   LEU   5           HG       LEU   5 -16.434  -5.345  -7.273
   41   1HD1  LEU   5          1HD1      LEU   5 -15.538  -6.999  -5.720
   42   2HD1  LEU   5          2HD1      LEU   5 -15.438  -5.375  -5.042
   43   3HD1  LEU   5          3HD1      LEU   5 -13.994  -6.148  -5.693
   44   1HD2  LEU   5          1HD2      LEU   5 -13.670  -4.132  -7.238
   45   2HD2  LEU   5          2HD2      LEU   5 -15.102  -3.437  -6.479
   46   3HD2  LEU   5          3HD2      LEU   5 -15.028  -3.608  -8.233
   47    H    LEU   6           H        LEU   6 -12.763  -6.097  -9.938
   48    HA   LEU   6           HA       LEU   6 -12.547  -3.828 -11.747
   49   1HB   LEU   6          2HB       LEU   6 -11.189  -3.961  -9.055
   50   2HB   LEU   6          1HB       LEU   6 -10.603  -2.947 -10.358
   51    HG   LEU   6           HG       LEU   6 -13.334  -2.709  -9.087
   52   1HD1  LEU   6          1HD1      LEU   6 -12.471  -0.683  -8.046
   53   2HD1  LEU   6          2HD1      LEU   6 -10.877  -0.994  -8.735
   54   3HD1  LEU   6          3HD1      LEU   6 -11.549  -2.096  -7.532
   55   1HD2  LEU   6          1HD2      LEU   6 -13.305  -1.964 -11.401
   56   2HD2  LEU   6          2HD2      LEU   6 -11.899  -0.951 -11.074
   57   3HD2  LEU   6          3HD2      LEU   6 -13.445  -0.588 -10.308
   58    H    ASP   7           H        ASP   7 -11.063  -4.236 -13.275
   59    HA   ASP   7           HA       ASP   7  -9.688  -6.719 -13.359
   60   1HB   ASP   7          2HB       ASP   7 -10.368  -5.449 -15.387
   61   2HB   ASP   7          1HB       ASP   7  -9.163  -4.224 -15.003
   62    H    ILE   8           H        ILE   8  -8.578  -3.400 -12.848
   63    HA   ILE   8           HA       ILE   8  -6.209  -4.482 -11.482
   64    HB   ILE   8           HB       ILE   8  -5.092  -2.296 -12.046
   65   1HG1  ILE   8          2HG1      ILE   8  -7.404  -2.058 -13.987
   66   2HG1  ILE   8          1HG1      ILE   8  -7.116  -1.011 -12.603
   67   1HG2  ILE   8          1HG2      ILE   8  -5.863  -4.106 -14.325
   68   2HG2  ILE   8          2HG2      ILE   8  -4.520  -4.336 -13.208
   69   3HG2  ILE   8          3HG2      ILE   8  -4.509  -2.979 -14.334
   70   1HD1  ILE   8          1HD1      ILE   8  -5.022  -0.255 -13.625
   71   2HD1  ILE   8          2HD1      ILE   8  -6.421   0.067 -14.653
   72   3HD1  ILE   8          3HD1      ILE   8  -5.349  -1.282 -15.021
   73    H    LEU   9           H        LEU   9  -5.909  -3.871  -9.430
   74    HA   LEU   9           HA       LEU   9  -7.882  -2.132  -8.202
   75   1HB   LEU   9          2HB       LEU   9  -6.991  -4.350  -7.245
   76   2HB   LEU   9          1HB       LEU   9  -5.552  -3.445  -6.823
   77    HG   LEU   9           HG       LEU   9  -8.249  -2.532  -5.869
   78   1HD1  LEU   9          1HD1      LEU   9  -6.481  -4.585  -4.547
   79   2HD1  LEU   9          2HD1      LEU   9  -8.083  -4.870  -5.226
   80   3HD1  LEU   9          3HD1      LEU   9  -7.896  -3.822  -3.821
   81   1HD2  LEU   9          1HD2      LEU   9  -5.451  -2.255  -4.770
   82   2HD2  LEU   9          2HD2      LEU   9  -6.916  -1.611  -4.029
   83   3HD2  LEU   9          3HD2      LEU   9  -6.378  -1.000  -5.593
   84    H    VAL  10           H        VAL  10  -7.538  -0.087  -7.570
   85    HA   VAL  10           HA       VAL  10  -4.824   1.011  -7.746
   86    HB   VAL  10           HB       VAL  10  -5.794   3.067  -8.814
   87   1HG1  VAL  10          1HG1      VAL  10  -5.862   2.141 -11.062
   88   2HG1  VAL  10          2HG1      VAL  10  -6.099   0.521 -10.407
   89   3HG1  VAL  10          3HG1      VAL  10  -4.583   1.375 -10.120
   90   1HG2  VAL  10          1HG2      VAL  10  -7.956   2.851  -9.961
   91   2HG2  VAL  10          2HG2      VAL  10  -8.124   2.734  -8.209
   92   3HG2  VAL  10          3HG2      VAL  10  -8.191   1.275  -9.198
   93    H    CYS  11           H        CYS  11  -5.394   3.645  -7.150
   94    HA   CYS  11           HA       CYS  11  -5.738   3.405  -4.310
   95   1HB   CYS  11          2HB       CYS  11  -4.060   4.926  -5.275
   96   2HB   CYS  11          1HB       CYS  11  -5.349   5.857  -6.054
   97    HG   CYS  11           HG       CYS  11  -4.294   7.265  -3.829
   98    HA   PRO  12           HA       PRO  12 -10.112   4.247  -4.070
   99   1HB   PRO  12          2HB       PRO  12  -9.334   5.598  -1.535
  100   2HB   PRO  12          1HB       PRO  12 -10.541   4.338  -1.814
  101   1HG   PRO  12          2HG       PRO  12  -8.216   3.758  -0.653
  102   2HG   PRO  12          1HG       PRO  12  -8.963   2.639  -1.809
  103   1HD   PRO  12          2HD       PRO  12  -6.669   4.517  -2.191
  104   2HD   PRO  12          1HD       PRO  12  -6.904   2.878  -2.836
  105    H    VAL  13           H        VAL  13  -7.713   6.758  -3.335
  106    HA   VAL  13           HA       VAL  13  -9.648   8.832  -4.046
  107    HB   VAL  13           HB       VAL  13  -6.830   9.187  -3.015
  108   1HG1  VAL  13          1HG1      VAL  13  -9.116  11.129  -3.307
  109   2HG1  VAL  13          2HG1      VAL  13  -7.606  11.128  -4.217
  110   3HG1  VAL  13          3HG1      VAL  13  -7.593  11.478  -2.489
  111   1HG2  VAL  13          1HG2      VAL  13  -9.445   9.267  -1.518
  112   2HG2  VAL  13          2HG2      VAL  13  -7.867   9.691  -0.853
  113   3HG2  VAL  13          3HG2      VAL  13  -8.192   8.036  -1.368
  114    H    CYS  14           H        CYS  14  -6.147   8.678  -4.667
  115    HA   CYS  14           HA       CYS  14  -6.622   9.694  -7.341
  116   1HB   CYS  14          2HB       CYS  14  -4.003   9.027  -5.985
  117   2HB   CYS  14          1HB       CYS  14  -4.200   9.921  -7.489
  118    HG   CYS  14           HG       CYS  14  -4.459  10.956  -4.325
  119    H    LYS  15           H        LYS  15  -7.660   7.911  -8.179
  120    HA   LYS  15           HA       LYS  15  -6.889   5.305  -8.448
  121   1HB   LYS  15          2HB       LYS  15  -8.365   7.004 -10.467
  122   2HB   LYS  15          1HB       LYS  15  -8.388   5.249 -10.388
  123   1HG   LYS  15          2HG       LYS  15  -9.297   6.869  -8.045
  124   2HG   LYS  15          1HG       LYS  15 -10.368   6.612  -9.424
  125   1HD   LYS  15          2HD       LYS  15 -10.262   4.235  -9.142
  126   2HD   LYS  15          1HD       LYS  15  -9.010   4.388  -7.907
  127   1HE   LYS  15          2HE       LYS  15 -11.145   3.942  -6.862
  128   2HE   LYS  15          1HE       LYS  15 -10.607   5.569  -6.459
  129   1HZ   LYS  15          1HZ       LYS  15 -12.609   4.884  -8.548
  130   2HZ   LYS  15          2HZ       LYS  15 -12.112   6.447  -8.128
  131   3HZ   LYS  15          3HZ       LYS  15 -12.964   5.497  -7.005
  132    H    GLY  16           H        GLY  16  -4.487   6.381  -8.707
  133   1HA   GLY  16          2HA       GLY  16  -3.772   6.481 -11.552
  134   2HA   GLY  16          1HA       GLY  16  -2.720   6.886 -10.203
  135    H    ARG  17           H        ARG  17  -1.017   5.549 -10.335
  136    HA   ARG  17           HA       ARG  17  -1.569   2.690 -10.807
  137   1HB   ARG  17          2HB       ARG  17   0.938   4.215 -11.546
  138   2HB   ARG  17          1HB       ARG  17   0.642   2.510 -11.847
  139   1HG   ARG  17          2HG       ARG  17   0.201   3.437 -13.902
  140   2HG   ARG  17          1HG       ARG  17  -1.412   3.378 -13.190
  141   1HD   ARG  17          2HD       ARG  17  -0.938   5.766 -12.395
  142   2HD   ARG  17          1HD       ARG  17   0.410   5.742 -13.532
  143    HE   ARG  17           HE       ARG  17  -2.050   4.945 -14.754
  144   1HH1  ARG  17          1HH1      ARG  17  -0.175   7.734 -13.758
  145   2HH1  ARG  17          2HH1      ARG  17  -0.944   8.809 -14.873
  146   1HH2  ARG  17          1HH2      ARG  17  -3.078   6.364 -16.205
  147   2HH2  ARG  17          2HH2      ARG  17  -2.628   8.043 -16.250
  148    H    LEU  18           H        LEU  18  -0.911   1.293  -9.323
  149    HA   LEU  18           HA       LEU  18   0.624   2.298  -7.037
  150   1HB   LEU  18          2HB       LEU  18  -0.976  -0.251  -7.338
  151   2HB   LEU  18          1HB       LEU  18  -0.163   0.274  -5.877
  152    HG   LEU  18           HG       LEU  18  -2.478   1.696  -7.197
  153   1HD1  LEU  18          1HD1      LEU  18  -3.730   0.967  -5.216
  154   2HD1  LEU  18          2HD1      LEU  18  -2.329   0.037  -4.684
  155   3HD1  LEU  18          3HD1      LEU  18  -3.159  -0.398  -6.178
  156   1HD2  LEU  18          1HD2      LEU  18  -1.047   2.250  -4.600
  157   2HD2  LEU  18          2HD2      LEU  18  -2.490   3.080  -5.183
  158   3HD2  LEU  18          3HD2      LEU  18  -0.967   3.240  -6.058
  159    H    GLU  19           H        GLU  19   2.522   1.298  -6.359
  160    HA   GLU  19           HA       GLU  19   3.637  -0.691  -8.214
  161   1HB   GLU  19          2HB       GLU  19   5.132   1.535  -6.818
  162   2HB   GLU  19          1HB       GLU  19   5.809   0.365  -7.935
  163   1HG   GLU  19          2HG       GLU  19   4.213   1.264  -9.663
  164   2HG   GLU  19          1HG       GLU  19   3.861   2.563  -8.526
  165    H    PHE  20           H        PHE  20   4.555  -2.454  -7.330
  166    HA   PHE  20           HA       PHE  20   4.240  -2.734  -4.439
  167   1HB   PHE  20          2HB       PHE  20   3.064  -4.356  -5.859
  168   2HB   PHE  20          1HB       PHE  20   4.591  -4.833  -6.592
  169    HD1  PHE  20           1HD      PHE  20   2.667  -4.830  -3.436
  170    HD2  PHE  20           2HD      PHE  20   5.977  -6.435  -5.573
  171    HE1  PHE  20           1HE      PHE  20   2.950  -6.547  -1.700
  172    HE2  PHE  20           2HE      PHE  20   6.264  -8.160  -3.842
  173    HZ   PHE  20           HZ       PHE  20   4.751  -8.217  -1.903
  174    H    GLN  21           H        GLN  21   5.993  -2.441  -3.240
  175    HA   GLN  21           HA       GLN  21   8.634  -2.956  -4.317
  176   1HB   GLN  21          2HB       GLN  21   7.651  -1.940  -1.652
  177   2HB   GLN  21          1HB       GLN  21   9.346  -2.267  -1.974
  178   1HG   GLN  21          2HG       GLN  21   7.677  -0.361  -3.593
  179   2HG   GLN  21          1HG       GLN  21   8.658   0.121  -2.211
  180   1HE2  GLN  21          1HE2      GLN  21   9.949   1.458  -3.470
  181   2HE2  GLN  21          2HE2      GLN  21  11.117   0.836  -4.581
  182    H    ARG  22           H        ARG  22   9.641  -4.849  -4.162
  183    HA   ARG  22           HA       ARG  22   8.347  -7.080  -3.024
  184   1HB   ARG  22          2HB       ARG  22  11.171  -6.810  -4.069
  185   2HB   ARG  22          1HB       ARG  22  10.366  -8.327  -3.694
  186   1HG   ARG  22          2HG       ARG  22   8.649  -7.761  -5.408
  187   2HG   ARG  22          1HG       ARG  22   9.632  -6.363  -5.851
  188   1HD   ARG  22          2HD       ARG  22  11.519  -7.888  -6.323
  189   2HD   ARG  22          1HD       ARG  22  10.466  -9.259  -5.976
  190    HE   ARG  22           HE       ARG  22   9.849  -7.342  -8.132
  191   1HH1  ARG  22          1HH1      ARG  22  10.257 -10.615  -6.970
  192   2HH1  ARG  22          2HH1      ARG  22   9.923 -11.345  -8.513
  193   1HH2  ARG  22          1HH2      ARG  22   9.394  -8.295 -10.172
  194   2HH2  ARG  22          2HH2      ARG  22   9.387 -10.029 -10.320
  195    H    ALA  23           H        ALA  23   8.810  -8.255  -1.314
  196    HA   ALA  23           HA       ALA  23   9.512  -8.886   0.752
  197   1HB   ALA  23          1HB       ALA  23  11.819  -8.620  -0.015
  198   2HB   ALA  23          2HB       ALA  23  11.636  -8.133   1.670
  199   3HB   ALA  23          3HB       ALA  23  11.763  -6.909   0.408
  200    H    GLN  24           H        GLN  24   9.697  -5.367   0.254
  201    HA   GLN  24           HA       GLN  24   8.878  -4.687   2.883
  202   1HB   GLN  24          2HB       GLN  24   8.637  -3.115   0.305
  203   2HB   GLN  24          1HB       GLN  24   8.380  -2.456   1.916
  204   1HG   GLN  24          2HG       GLN  24  10.954  -3.605   0.864
  205   2HG   GLN  24          1HG       GLN  24  10.585  -1.893   1.068
  206   1HE2  GLN  24          1HE2      GLN  24  10.479  -1.029   3.159
  207   2HE2  GLN  24          2HE2      GLN  24  11.176  -1.850   4.514
  208    H    ALA  25           H        ALA  25   7.209  -5.402  -0.095
  209    HA   ALA  25           HA       ALA  25   5.088  -6.033  -0.558
  210   1HB   ALA  25          1HB       ALA  25   3.758  -7.051   1.203
  211   2HB   ALA  25          2HB       ALA  25   4.842  -6.390   2.426
  212   3HB   ALA  25          3HB       ALA  25   5.431  -7.601   1.287
  213    H    GLU  26           H        GLU  26   5.634  -3.250  -0.252
  214    HA   GLU  26           HA       GLU  26   2.986  -2.324   0.631
  215   1HB   GLU  26          2HB       GLU  26   4.084  -0.099   1.008
  216   2HB   GLU  26          1HB       GLU  26   4.607  -1.375   2.098
  217   1HG   GLU  26          2HG       GLU  26   6.598  -1.703   0.638
  218   2HG   GLU  26          1HG       GLU  26   6.094  -0.282  -0.275
  219    H    LEU  27           H        LEU  27   1.801  -1.087  -0.715
  220    HA   LEU  27           HA       LEU  27   2.764  -0.817  -3.461
  221   1HB   LEU  27          2HB       LEU  27   0.020  -0.258  -2.329
  222   2HB   LEU  27          1HB       LEU  27   0.452  -0.275  -4.022
  223    HG   LEU  27           HG       LEU  27   0.564  -2.693  -2.219
  224   1HD1  LEU  27          1HD1      LEU  27  -1.733  -1.928  -2.539
  225   2HD1  LEU  27          2HD1      LEU  27  -1.433  -3.435  -3.406
  226   3HD1  LEU  27          3HD1      LEU  27  -1.489  -1.905  -4.284
  227   1HD2  LEU  27          1HD2      LEU  27   0.828  -2.404  -5.212
  228   2HD2  LEU  27          2HD2      LEU  27   0.804  -3.925  -4.320
  229   3HD2  LEU  27          3HD2      LEU  27   2.131  -2.787  -4.087
  230    H    VAL  28           H        VAL  28   3.892   0.952  -3.823
  231    HA   VAL  28           HA       VAL  28   3.432   3.372  -2.303
  232    HB   VAL  28           HB       VAL  28   5.381   2.876  -4.562
  233   1HG1  VAL  28          1HG1      VAL  28   5.269   5.081  -2.509
  234   2HG1  VAL  28          2HG1      VAL  28   4.914   5.240  -4.230
  235   3HG1  VAL  28          3HG1      VAL  28   6.551   4.848  -3.700
  236   1HG2  VAL  28          1HG2      VAL  28   5.814   2.755  -1.580
  237   2HG2  VAL  28          2HG2      VAL  28   7.067   2.603  -2.812
  238   3HG2  VAL  28          3HG2      VAL  28   5.802   1.380  -2.686
  239    H    CYS  29           H        CYS  29   1.759   4.596  -2.870
  240    HA   CYS  29           HA       CYS  29   1.021   4.913  -5.664
  241   1HB   CYS  29          2HB       CYS  29  -0.766   4.818  -3.965
  242   2HB   CYS  29          1HB       CYS  29  -0.082   6.229  -3.163
  243    HG   CYS  29           HG       CYS  29  -2.219   7.324  -4.391
  244    H    ASN  30           H        ASN  30   2.250   6.226  -6.860
  245    HA   ASN  30           HA       ASN  30   3.901   8.235  -5.608
  246   1HB   ASN  30          2HB       ASN  30   3.570   7.438  -8.508
  247   2HB   ASN  30          1HB       ASN  30   4.717   8.649  -7.940
  248   1HD2  ASN  30          1HD2      ASN  30   3.994   5.293  -8.188
  249   2HD2  ASN  30          2HD2      ASN  30   5.509   4.700  -7.600
  250    H    ALA  31           H        ALA  31   0.781   8.304  -6.186
  251    HA   ALA  31           HA       ALA  31   0.709  11.047  -7.219
  252   1HB   ALA  31          1HB       ALA  31  -1.704  10.723  -7.418
  253   2HB   ALA  31          2HB       ALA  31  -1.558   9.125  -6.688
  254   3HB   ALA  31          3HB       ALA  31  -0.828   9.445  -8.261
  255    H    ASP  32           H        ASP  32  -0.677   9.119  -4.551
  256    HA   ASP  32           HA       ASP  32  -1.226  11.497  -2.997
  257   1HB   ASP  32          2HB       ASP  32  -1.442   8.590  -2.177
  258   2HB   ASP  32          1HB       ASP  32  -2.100   9.965  -1.302
  259    H    ARG  33           H        ARG  33   1.387   9.432  -3.473
  260    HA   ARG  33           HA       ARG  33   3.336   8.970  -2.431
  261   1HB   ARG  33          2HB       ARG  33   2.705  11.564  -1.039
  262   2HB   ARG  33          1HB       ARG  33   4.199  10.674  -0.770
  263   1HG   ARG  33          2HG       ARG  33   4.446  10.771  -3.339
  264   2HG   ARG  33          1HG       ARG  33   3.249  12.064  -3.241
  265   1HD   ARG  33          2HD       ARG  33   5.857  11.985  -1.744
  266   2HD   ARG  33          1HD       ARG  33   5.570  12.893  -3.226
  267    HE   ARG  33           HE       ARG  33   3.658  13.607  -1.275
  268   1HH1  ARG  33          1HH1      ARG  33   7.065  14.016  -2.020
  269   2HH1  ARG  33          2HH1      ARG  33   7.181  15.541  -1.186
  270   1HH2  ARG  33          1HH2      ARG  33   3.805  15.566  -0.191
  271   2HH2  ARG  33          2HH2      ARG  33   5.321  16.429  -0.140
  272    H    LEU  34           H        LEU  34   1.172   7.592  -1.609
  273    HA   LEU  34           HA       LEU  34   1.689   7.184   1.259
  274   1HB   LEU  34          2HB       LEU  34  -0.828   6.780  -0.345
  275   2HB   LEU  34          1HB       LEU  34  -0.592   6.043   1.228
  276    HG   LEU  34           HG       LEU  34  -0.456   9.014   0.773
  277   1HD1  LEU  34          1HD1      LEU  34  -2.681   8.233   0.173
  278   2HD1  LEU  34          2HD1      LEU  34  -2.728   9.095   1.710
  279   3HD1  LEU  34          3HD1      LEU  34  -2.790   7.333   1.684
  280   1HD2  LEU  34          1HD2      LEU  34  -0.756   7.330   3.252
  281   2HD2  LEU  34          2HD2      LEU  34  -0.801   9.093   3.200
  282   3HD2  LEU  34          3HD2      LEU  34   0.678   8.234   2.767
  283    H    ALA  35           H        ALA  35   2.019   5.096   1.962
  284    HA   ALA  35           HA       ALA  35   2.393   3.089  -0.166
  285   1HB   ALA  35          1HB       ALA  35   3.816   3.269   2.490
  286   2HB   ALA  35          2HB       ALA  35   4.483   3.765   0.934
  287   3HB   ALA  35          3HB       ALA  35   4.101   2.069   1.230
  288    H    PHE  36           H        PHE  36   0.729   1.735  -0.174
  289    HA   PHE  36           HA       PHE  36  -0.696   1.120   2.290
  290   1HB   PHE  36          2HB       PHE  36  -1.209   0.393  -0.602
  291   2HB   PHE  36          1HB       PHE  36  -2.188  -0.203   0.732
  292    HD1  PHE  36           1HD      PHE  36  -1.311   2.715  -1.281
  293    HD2  PHE  36           2HD      PHE  36  -3.686   1.244   1.927
  294    HE1  PHE  36           1HE      PHE  36  -2.700   4.738  -1.387
  295    HE2  PHE  36           2HE      PHE  36  -5.087   3.266   1.827
  296    HZ   PHE  36           HZ       PHE  36  -4.590   5.020   0.166
  297    HA   PRO  37           HA       PRO  37   1.994  -2.435   2.718
  298   1HB   PRO  37          2HB       PRO  37   0.522  -2.934   5.188
  299   2HB   PRO  37          1HB       PRO  37   2.216  -2.492   4.970
  300   1HG   PRO  37          2HG       PRO  37   0.392  -0.803   6.043
  301   2HG   PRO  37          1HG       PRO  37   1.782  -0.239   5.098
  302   1HD   PRO  37          2HD       PRO  37  -1.075  -0.568   4.256
  303   2HD   PRO  37          1HD       PRO  37   0.066   0.743   3.883
  304    H    VAL  38           H        VAL  38   1.700  -4.384   1.883
  305    HA   VAL  38           HA       VAL  38  -0.989  -5.543   1.841
  306    HB   VAL  38           HB       VAL  38   1.496  -6.474   0.386
  307   1HG1  VAL  38          1HG1      VAL  38  -1.390  -7.293   0.090
  308   2HG1  VAL  38          2HG1      VAL  38  -0.084  -8.272   0.757
  309   3HG1  VAL  38          3HG1      VAL  38  -0.063  -7.818  -0.946
  310   1HG2  VAL  38          1HG2      VAL  38   0.802  -4.277  -0.390
  311   2HG2  VAL  38          2HG2      VAL  38  -0.843  -4.864  -0.633
  312   3HG2  VAL  38          3HG2      VAL  38   0.477  -5.500  -1.616
  313    H    ARG  39           H        ARG  39  -1.492  -6.865   3.424
  314    HA   ARG  39           HA       ARG  39   0.614  -8.116   4.999
  315   1HB   ARG  39          2HB       ARG  39  -1.119  -6.928   6.216
  316   2HB   ARG  39          1HB       ARG  39  -2.368  -7.891   5.441
  317   1HG   ARG  39          2HG       ARG  39  -1.509  -9.892   6.561
  318   2HG   ARG  39          1HG       ARG  39  -0.273  -8.905   7.348
  319   1HD   ARG  39          2HD       ARG  39  -1.895  -7.682   8.564
  320   2HD   ARG  39          1HD       ARG  39  -3.216  -8.348   7.605
  321    HE   ARG  39           HE       ARG  39  -1.812 -10.422   8.930
  322   1HH1  ARG  39          1HH1      ARG  39  -4.005  -7.766   9.586
  323   2HH1  ARG  39          2HH1      ARG  39  -4.815  -8.583  10.891
  324   1HH2  ARG  39          1HH2      ARG  39  -2.872 -11.503  10.658
  325   2HH2  ARG  39          2HH2      ARG  39  -4.172 -10.703  11.500
  326    H    ASP  40           H        ASP  40   1.259  -9.616   3.444
  327    HA   ASP  40           HA       ASP  40   1.362 -11.649   2.446
  328   1HB   ASP  40          2HB       ASP  40   1.086 -12.184   4.945
  329   2HB   ASP  40          1HB       ASP  40  -0.574 -12.607   4.545
  330    H    GLY  41           H        GLY  41   0.093 -10.564   0.693
  331   1HA   GLY  41          2HA       GLY  41  -1.317 -11.186  -1.069
  332   2HA   GLY  41          1HA       GLY  41  -2.140 -12.305   0.009
  333    H    VAL  42           H        VAL  42  -2.565 -10.207   2.058
  334    HA   VAL  42           HA       VAL  42  -4.932  -9.032   0.774
  335    HB   VAL  42           HB       VAL  42  -4.342  -9.357   3.729
  336   1HG1  VAL  42          1HG1      VAL  42  -5.864  -7.507   3.264
  337   2HG1  VAL  42          2HG1      VAL  42  -6.717  -8.841   4.039
  338   3HG1  VAL  42          3HG1      VAL  42  -6.888  -8.575   2.304
  339   1HG2  VAL  42          1HG2      VAL  42  -6.012 -11.163   3.653
  340   2HG2  VAL  42          2HG2      VAL  42  -4.593 -11.522   2.669
  341   3HG2  VAL  42          3HG2      VAL  42  -6.093 -10.999   1.901
  342    HA   PRO  43           HA       PRO  43  -2.576  -5.169   1.127
  343   1HB   PRO  43          2HB       PRO  43  -4.235  -3.724  -0.460
  344   2HB   PRO  43          1HB       PRO  43  -2.990  -4.802  -1.102
  345   1HG   PRO  43          2HG       PRO  43  -5.927  -5.268  -0.792
  346   2HG   PRO  43          1HG       PRO  43  -4.861  -5.708  -2.138
  347   1HD   PRO  43          2HD       PRO  43  -5.673  -7.475  -0.233
  348   2HD   PRO  43          1HD       PRO  43  -4.122  -7.613  -1.085
  349    H    ILE  44           H        ILE  44  -2.787  -3.892   2.852
  350    HA   ILE  44           HA       ILE  44  -5.291  -3.688   4.240
  351    HB   ILE  44           HB       ILE  44  -2.713  -2.197   4.769
  352   1HG1  ILE  44          2HG1      ILE  44  -2.342  -4.594   4.926
  353   2HG1  ILE  44          1HG1      ILE  44  -2.364  -3.901   6.546
  354   1HG2  ILE  44          1HG2      ILE  44  -4.671  -1.131   5.766
  355   2HG2  ILE  44          2HG2      ILE  44  -3.618  -1.820   7.002
  356   3HG2  ILE  44          3HG2      ILE  44  -5.108  -2.651   6.548
  357   1HD1  ILE  44          1HD1      ILE  44  -4.667  -4.679   6.826
  358   2HD1  ILE  44          2HD1      ILE  44  -3.555  -6.005   6.486
  359   3HD1  ILE  44          3HD1      ILE  44  -4.616  -5.395   5.215
  360    H    MET  45           H        MET  45  -6.733  -2.634   2.961
  361    HA   MET  45           HA       MET  45  -6.086  -0.070   1.792
  362   1HB   MET  45          2HB       MET  45  -8.709  -1.576   1.902
  363   2HB   MET  45          1HB       MET  45  -8.415  -0.118   0.964
  364   1HG   MET  45          2HG       MET  45  -6.748  -1.303  -0.365
  365   2HG   MET  45          1HG       MET  45  -7.024  -2.761   0.584
  366   1HE   MET  45          1HE       MET  45  -8.556  -0.235  -2.010
  367   2HE   MET  45          2HE       MET  45  -9.678  -0.137  -0.653
  368   3HE   MET  45          3HE       MET  45 -10.198  -0.860  -2.177
  369    H    LEU  46           H        LEU  46  -5.555   0.496   4.187
  370    HA   LEU  46           HA       LEU  46  -7.882   1.972   5.213
  371   1HB   LEU  46          2HB       LEU  46  -5.798   0.504   6.828
  372   2HB   LEU  46          1HB       LEU  46  -6.915   1.668   7.513
  373    HG   LEU  46           HG       LEU  46  -7.703  -0.917   6.164
  374   1HD1  LEU  46          1HD1      LEU  46  -6.598  -1.285   8.308
  375   2HD1  LEU  46          2HD1      LEU  46  -8.320  -1.657   8.400
  376   3HD1  LEU  46          3HD1      LEU  46  -7.705  -0.149   9.079
  377   1HD2  LEU  46          1HD2      LEU  46  -9.356   1.153   7.609
  378   2HD2  LEU  46          2HD2      LEU  46  -9.941  -0.413   7.049
  379   3HD2  LEU  46          3HD2      LEU  46  -9.401   0.794   5.883
  380    H    GLU  47           H        GLU  47  -7.467   3.992   4.743
  381    HA   GLU  47           HA       GLU  47  -4.973   5.040   4.073
  382   1HB   GLU  47          2HB       GLU  47  -7.365   6.615   5.042
  383   2HB   GLU  47          1HB       GLU  47  -6.048   7.213   4.048
  384   1HG   GLU  47          2HG       GLU  47  -7.651   6.892   2.461
  385   2HG   GLU  47          1HG       GLU  47  -6.839   5.330   2.405
  386    H    ALA  48           H        ALA  48  -6.559   4.849   7.189
  387    HA   ALA  48           HA       ALA  48  -4.780   6.801   8.383
  388   1HB   ALA  48          1HB       ALA  48  -6.008   6.379  10.443
  389   2HB   ALA  48          2HB       ALA  48  -6.852   5.037   9.674
  390   3HB   ALA  48          3HB       ALA  48  -7.110   6.683   9.100
  391    H    GLU  49           H        GLU  49  -4.336   3.685   7.495
  392    HA   GLU  49           HA       GLU  49  -2.321   3.317   9.608
  393   1HB   GLU  49          2HB       GLU  49  -3.975   1.120   8.353
  394   2HB   GLU  49          1HB       GLU  49  -2.652   0.883   9.487
  395   1HG   GLU  49          2HG       GLU  49  -4.047   2.399  11.054
  396   2HG   GLU  49          1HG       GLU  49  -5.381   1.996   9.974
  397    H    ALA  50           H        ALA  50  -2.507   4.280   6.693
  398    HA   ALA  50           HA       ALA  50  -0.527   2.483   5.500
  399   1HB   ALA  50          1HB       ALA  50  -1.990   4.832   4.301
  400   2HB   ALA  50          2HB       ALA  50  -2.413   3.133   4.086
  401   3HB   ALA  50          3HB       ALA  50  -0.893   3.754   3.442
  402    H    ARG  51           H        ARG  51   1.581   3.012   5.442
  403    HA   ARG  51           HA       ARG  51   2.498   5.285   6.881
  404   1HB   ARG  51          2HB       ARG  51   3.812   3.248   6.906
  405   2HB   ARG  51          1HB       ARG  51   4.002   3.301   5.158
  406   1HG   ARG  51          2HG       ARG  51   5.448   5.148   5.263
  407   2HG   ARG  51          1HG       ARG  51   5.006   5.497   6.935
  408   1HD   ARG  51          2HD       ARG  51   7.222   4.477   6.780
  409   2HD   ARG  51          1HD       ARG  51   6.097   3.463   7.676
  410    HE   ARG  51           HE       ARG  51   5.928   2.449   5.190
  411   1HH1  ARG  51          1HH1      ARG  51   8.678   3.240   7.214
  412   2HH1  ARG  51          2HH1      ARG  51   9.672   1.962   6.583
  413   1HH2  ARG  51          1HH2      ARG  51   7.251   0.765   4.343
  414   2HH2  ARG  51          2HH2      ARG  51   8.859   0.569   4.963
  415    H    SER  52           H        SER  52   2.786   7.273   6.187
  416    HA   SER  52           HA       SER  52   2.416   7.817   3.375
  417   1HB   SER  52          2HB       SER  52   1.112   9.150   4.840
  418   2HB   SER  52          1HB       SER  52   2.523   9.621   5.777
  419    HG   SER  52           HG       SER  52   1.504  10.986   3.875
  420    H    LEU  53           H        LEU  53   3.714   9.083   2.161
  421    HA   LEU  53           HA       LEU  53   6.511   9.379   3.062
  422   1HB   LEU  53          2HB       LEU  53   5.517   8.896   0.241
  423   2HB   LEU  53          1HB       LEU  53   7.191   9.094   0.719
  424    HG   LEU  53           HG       LEU  53   5.410   6.806   1.561
  425   1HD1  LEU  53          1HD1      LEU  53   6.783   5.461   0.049
  426   2HD1  LEU  53          2HD1      LEU  53   7.624   6.916  -0.481
  427   3HD1  LEU  53          3HD1      LEU  53   5.904   6.721  -0.816
  428   1HD2  LEU  53          1HD2      LEU  53   7.135   7.325   3.207
  429   2HD2  LEU  53          2HD2      LEU  53   8.368   7.253   1.949
  430   3HD2  LEU  53          3HD2      LEU  53   7.473   5.800   2.392
  431    H    ASP  54           H        ASP  54   3.814  10.959   2.753
  432    HA   ASP  54           HA       ASP  54   4.652  13.137   0.998
  433   1HB   ASP  54          2HB       ASP  54   2.375  12.188   0.809
  434   2HB   ASP  54          1HB       ASP  54   2.044  12.681   2.465
  435    H    ALA  55           H        ALA  55   4.388  12.383   4.354
  436    HA   ALA  55           HA       ALA  55   5.121  15.151   5.016
  437   1HB   ALA  55          1HB       ALA  55   3.116  13.521   6.562
  438   2HB   ALA  55          2HB       ALA  55   2.708  14.808   5.428
  439   3HB   ALA  55          3HB       ALA  55   3.618  15.179   6.894
  440    H    GLU  56           H        GLU  56   6.551  12.501   4.829
  441    HA   GLU  56           HA       GLU  56   8.077  11.233   5.961
  442   1HB   GLU  56          2HB       GLU  56   8.729  13.689   6.662
  443   2HB   GLU  56          1HB       GLU  56   8.076  13.210   8.219
  444   1HG   GLU  56          2HG       GLU  56  10.419  12.888   8.305
  445   2HG   GLU  56          1HG       GLU  56   9.690  11.290   8.207
  446    H    ALA  57           H        ALA  57   8.196  11.246   8.954
  447    HA   ALA  57           HA       ALA  57   7.312  10.179  10.735
  448   1HB   ALA  57          1HB       ALA  57   4.662  10.891   9.495
  449   2HB   ALA  57          2HB       ALA  57   5.593  11.904  10.597
  450   3HB   ALA  57          3HB       ALA  57   4.924  10.373  11.160
  451    HA   PRO  58           HA       PRO  58   6.789   6.148   8.660
  452   1HB   PRO  58          2HB       PRO  58   8.296   5.223  10.991
  453   2HB   PRO  58          1HB       PRO  58   8.662   5.031   9.276
  454   1HG   PRO  58          2HG       PRO  58  10.100   6.662  10.878
  455   2HG   PRO  58          1HG       PRO  58   9.823   7.016   9.163
  456   1HD   PRO  58          2HD       PRO  58   8.466   8.157  11.577
  457   2HD   PRO  58          1HD       PRO  58   8.991   8.971  10.087
  458    H    ALA  59           H        ALA  59   4.574   6.530   9.336
  459    HA   ALA  59           HA       ALA  59   3.765   5.822  12.012
  460   1HB   ALA  59          1HB       ALA  59   2.613   7.602  10.812
  461   2HB   ALA  59          2HB       ALA  59   1.499   6.293  11.208
  462   3HB   ALA  59          3HB       ALA  59   2.118   6.457   9.565
  463    H    GLN  60           H        GLN  60   5.117   3.733  10.716
  464    HA   GLN  60           HA       GLN  60   2.961   1.741  10.512
  465   1HB   GLN  60          2HB       GLN  60   4.169   2.204   8.345
  466   2HB   GLN  60          1HB       GLN  60   5.631   1.597   9.104
  467   1HG   GLN  60          2HG       GLN  60   4.687  -0.589   9.331
  468   2HG   GLN  60          1HG       GLN  60   3.110  -0.017   8.782
  469   1HE2  GLN  60          1HE2      GLN  60   4.820  -2.118   7.679
  470   2HE2  GLN  60          2HE2      GLN  60   5.150  -1.668   6.038
  471    HA   PRO  61           HA       PRO  61   5.652   0.883  14.118
  472   1HB   PRO  61          2HB       PRO  61   3.265   0.199  15.581
  473   2HB   PRO  61          1HB       PRO  61   4.336   1.581  15.809
  474   1HG   PRO  61          2HG       PRO  61   1.757   1.774  14.899
  475   2HG   PRO  61          1HG       PRO  61   3.026   2.962  14.546
  476   1HD   PRO  61          2HD       PRO  61   1.988   0.729  12.841
  477   2HD   PRO  61          1HD       PRO  61   2.432   2.386  12.378
  478    H    SER  62           H        SER  62   6.442  -0.995  13.058
  479    HA   SER  62           HA       SER  62   5.040  -3.443  13.890
  480   1HB   SER  62          2HB       SER  62   5.017  -3.168  11.423
  481   2HB   SER  62          1HB       SER  62   6.779  -3.099  11.433
  482    HG   SER  62           HG       SER  62   5.377  -5.289  12.550
  483    H    LEU  63           H        LEU  63   6.099  -4.458  15.428
  484    HA   LEU  63           HA       LEU  63   8.987  -4.020  15.724
  485   1HB   LEU  63          2HB       LEU  63   6.951  -5.085  17.688
  486   2HB   LEU  63          1HB       LEU  63   8.661  -4.880  18.025
  487    HG   LEU  63           HG       LEU  63   6.730  -2.650  17.372
  488   1HD1  LEU  63          1HD1      LEU  63   7.001  -2.021  19.710
  489   2HD1  LEU  63          2HD1      LEU  63   8.014  -3.439  19.981
  490   3HD1  LEU  63          3HD1      LEU  63   6.312  -3.637  19.560
  491   1HD2  LEU  63          1HD2      LEU  63   8.993  -2.162  16.614
  492   2HD2  LEU  63          2HD2      LEU  63   9.628  -2.573  18.207
  493   3HD2  LEU  63          3HD2      LEU  63   8.573  -1.174  18.012
  494    H    GLU  64           H        GLU  64   7.124  -6.072  14.163
  495    HA   GLU  64           HA       GLU  64   8.075  -8.612  15.020
  496   1HB   GLU  64          2HB       GLU  64   5.996  -8.146  13.634
  497   2HB   GLU  64          1HB       GLU  64   7.068  -7.910  12.260
  498   1HG   GLU  64          2HG       GLU  64   7.768 -10.161  12.295
  499   2HG   GLU  64          1HG       GLU  64   7.064 -10.432  13.887
  500    H    HIS  65           H        HIS  65   9.553  -9.972  13.861
  501    HA   HIS  65           HA       HIS  65  12.072  -8.976  13.702
  502   1HB   HIS  65          2HB       HIS  65  11.474 -11.384  13.791
  503   2HB   HIS  65          1HB       HIS  65  11.055 -11.320  12.082
  504    HD1  HIS  65           1HD      HIS  65  12.873 -11.995  10.550
  505    HD2  HIS  65           2HD      HIS  65  14.329 -10.623  14.198
  506    HE1  HIS  65           1HE      HIS  65  15.372 -12.267  10.433
  507    HE2  HIS  65           2HE      HIS  65  16.241 -11.276  12.586
  508    H    HIS  66           H        HIS  66  12.937  -7.472  12.482
  509    HA   HIS  66           HA       HIS  66  11.967  -7.030   9.764
  510   1HB   HIS  66          2HB       HIS  66  13.351  -5.378  11.804
  511   2HB   HIS  66          1HB       HIS  66  13.723  -5.030  10.120
  512    HD1  HIS  66           1HD      HIS  66  10.463  -5.623  12.064
  513    HD2  HIS  66           2HD      HIS  66  12.133  -3.067   9.230
  514    HE1  HIS  66           1HE      HIS  66   8.667  -3.951  11.505
  515    HE2  HIS  66           2HE      HIS  66   9.776  -2.306   9.952
  516    H    HIS  67           H        HIS  67  13.938  -6.035   8.376
  517    HA   HIS  67           HA       HIS  67  16.426  -7.391   8.537
  518   1HB   HIS  67          2HB       HIS  67  16.198  -8.921   6.670
  519   2HB   HIS  67          1HB       HIS  67  14.941  -9.296   7.845
  520    HD1  HIS  67           1HD      HIS  67  15.220  -9.394   4.444
  521    HD2  HIS  67           2HD      HIS  67  12.547  -7.391   6.924
  522    HE1  HIS  67           1HE      HIS  67  13.200  -8.895   3.017
  523    HE2  HIS  67           2HE      HIS  67  11.660  -7.559   4.507
  524    H    HIS  68           H        HIS  68  17.606  -7.101   6.300
  525    HA   HIS  68           HA       HIS  68  16.819  -4.460   5.259
  526   1HB   HIS  68          2HB       HIS  68  19.463  -5.911   5.195
  527   2HB   HIS  68          1HB       HIS  68  19.160  -4.423   4.308
  528    HD1  HIS  68           1HD      HIS  68  18.511  -2.306   5.858
  529    HD2  HIS  68           2HD      HIS  68  20.288  -5.553   7.757
  530    HE1  HIS  68           1HE      HIS  68  19.357  -1.427   8.055
  531    HE2  HIS  68           2HE      HIS  68  20.665  -3.342   9.043
  532    H    HIS  69           H        HIS  69  18.440  -7.353   3.962
  533    HA   HIS  69           HA       HIS  69  18.222  -8.516   2.036
  534   1HB   HIS  69          2HB       HIS  69  15.802  -8.595   2.521
  535   2HB   HIS  69          1HB       HIS  69  15.592  -7.063   1.681
  536    HD1  HIS  69           1HD      HIS  69  15.885 -10.712   1.118
  537    HD2  HIS  69           2HD      HIS  69  15.926  -7.226  -1.164
  538    HE1  HIS  69           1HE      HIS  69  15.575 -11.451  -1.267
  539    HE2  HIS  69           2HE      HIS  69  15.468  -9.320  -2.610
  540    H    HIS  70           H        HIS  70  19.496  -8.146   0.403
  541    HA   HIS  70           HA       HIS  70  19.025  -5.891  -1.366
  542   1HB   HIS  70          2HB       HIS  70  20.578  -4.894   0.195
  543   2HB   HIS  70          1HB       HIS  70  21.636  -6.297   0.108
  544    HD1  HIS  70           1HD      HIS  70  20.253  -3.739  -2.367
  545    HD2  HIS  70           2HD      HIS  70  23.723  -5.873  -1.519
  546    HE1  HIS  70           1HE      HIS  70  21.960  -2.952  -4.038
  547    HE2  HIS  70           2HE      HIS  70  23.992  -4.391  -3.619
  Start of MODEL   17
    1   1H    MET   1          1H        MET   1 -18.527 -14.509 -12.724
    2   2H    MET   1          2H        MET   1 -18.711 -15.860 -11.720
    3   3H    MET   1          3H        MET   1 -18.604 -16.062 -13.398
    4    HA   MET   1           HA       MET   1 -16.449 -14.998 -11.663
    5   1HB   MET   1          2HB       MET   1 -16.840 -17.710 -12.943
    6   2HB   MET   1          1HB       MET   1 -15.298 -17.156 -12.306
    7   1HG   MET   1          2HG       MET   1 -17.831 -17.484 -10.718
    8   2HG   MET   1          1HG       MET   1 -16.480 -18.615 -10.747
    9   1HE   MET   1          1HE       MET   1 -17.656 -17.486  -8.046
   10   2HE   MET   1          2HE       MET   1 -16.183 -17.074  -7.169
   11   3HE   MET   1          3HE       MET   1 -16.262 -18.564  -8.108
   12    H    GLU   2           H        GLU   2 -14.326 -15.641 -13.018
   13    HA   GLU   2           HA       GLU   2 -12.972 -15.196 -14.765
   14   1HB   GLU   2          2HB       GLU   2 -15.473 -15.895 -16.280
   15   2HB   GLU   2          1HB       GLU   2 -13.954 -15.521 -17.080
   16   1HG   GLU   2          2HG       GLU   2 -12.882 -17.368 -15.863
   17   2HG   GLU   2          1HG       GLU   2 -14.444 -17.771 -15.144
   18    H    SER   3           H        SER   3 -13.815 -12.920 -13.557
   19    HA   SER   3           HA       SER   3 -14.658 -11.000 -15.496
   20   1HB   SER   3          2HB       SER   3 -13.742  -9.360 -13.755
   21   2HB   SER   3          1HB       SER   3 -15.053 -10.413 -13.229
   22    HG   SER   3           HG       SER   3 -13.194 -10.226 -11.768
   23    H    ARG   4           H        ARG   4 -11.605 -12.139 -14.210
   24    HA   ARG   4           HA       ARG   4  -9.470 -12.029 -14.899
   25   1HB   ARG   4          2HB       ARG   4 -10.514 -13.194 -16.843
   26   2HB   ARG   4          1HB       ARG   4 -10.602 -11.641 -17.665
   27   1HG   ARG   4          2HG       ARG   4  -8.134 -11.450 -17.443
   28   2HG   ARG   4          1HG       ARG   4  -8.115 -13.081 -16.773
   29   1HD   ARG   4          2HD       ARG   4  -9.187 -13.889 -18.867
   30   2HD   ARG   4          1HD       ARG   4  -9.028 -12.261 -19.527
   31    HE   ARG   4           HE       ARG   4  -6.584 -13.532 -18.574
   32   1HH1  ARG   4          1HH1      ARG   4  -8.604 -12.605 -21.276
   33   2HH1  ARG   4          2HH1      ARG   4  -7.352 -12.841 -22.462
   34   1HH2  ARG   4          1HH2      ARG   4  -4.944 -13.860 -20.126
   35   2HH2  ARG   4          2HH2      ARG   4  -5.278 -13.576 -21.811
   36    H    LEU   5           H        LEU   5  -9.245 -10.010 -13.755
   37    HA   LEU   5           HA       LEU   5  -8.408  -7.915 -15.652
   38   1HB   LEU   5          2HB       LEU   5  -9.541  -7.611 -12.873
   39   2HB   LEU   5          1HB       LEU   5  -8.614  -6.343 -13.642
   40    HG   LEU   5           HG       LEU   5 -10.853  -5.738 -13.952
   41   1HD1  LEU   5          1HD1      LEU   5  -9.558  -5.477 -15.981
   42   2HD1  LEU   5          2HD1      LEU   5 -11.226  -5.899 -16.372
   43   3HD1  LEU   5          3HD1      LEU   5  -9.962  -7.122 -16.474
   44   1HD2  LEU   5          1HD2      LEU   5 -12.583  -7.221 -14.799
   45   2HD2  LEU   5          2HD2      LEU   5 -11.867  -7.864 -13.319
   46   3HD2  LEU   5          3HD2      LEU   5 -11.421  -8.543 -14.884
   47    H    LEU   6           H        LEU   6  -6.595  -6.546 -14.633
   48    HA   LEU   6           HA       LEU   6  -4.582  -8.349 -13.600
   49   1HB   LEU   6          2HB       LEU   6  -4.510  -5.439 -14.391
   50   2HB   LEU   6          1HB       LEU   6  -3.136  -6.256 -13.676
   51    HG   LEU   6           HG       LEU   6  -3.244  -7.879 -15.626
   52   1HD1  LEU   6          1HD1      LEU   6  -5.024  -5.740 -16.781
   53   2HD1  LEU   6          2HD1      LEU   6  -5.521  -7.377 -16.352
   54   3HD1  LEU   6          3HD1      LEU   6  -4.352  -7.122 -17.647
   55   1HD2  LEU   6          1HD2      LEU   6  -2.064  -6.358 -17.123
   56   2HD2  LEU   6          2HD2      LEU   6  -1.562  -6.129 -15.448
   57   3HD2  LEU   6          3HD2      LEU   6  -2.664  -4.977 -16.203
   58    H    ASP   7           H        ASP   7  -4.916  -8.853 -11.523
   59    HA   ASP   7           HA       ASP   7  -5.929  -6.885  -9.665
   60   1HB   ASP   7          2HB       ASP   7  -5.150  -9.786  -9.300
   61   2HB   ASP   7          1HB       ASP   7  -5.778  -8.770  -8.008
   62    H    ILE   8           H        ILE   8  -3.933  -5.588 -10.201
   63    HA   ILE   8           HA       ILE   8  -1.594  -6.391  -8.639
   64    HB   ILE   8           HB       ILE   8  -0.493  -4.418  -9.661
   65   1HG1  ILE   8          2HG1      ILE   8  -3.071  -4.161 -11.232
   66   2HG1  ILE   8          1HG1      ILE   8  -2.544  -3.054  -9.970
   67   1HG2  ILE   8          1HG2      ILE   8  -1.787  -6.284 -11.648
   68   2HG2  ILE   8          2HG2      ILE   8  -0.332  -6.621 -10.711
   69   3HG2  ILE   8          3HG2      ILE   8  -0.326  -5.333 -11.915
   70   1HD1  ILE   8          1HD1      ILE   8  -2.112  -2.133 -12.163
   71   2HD1  ILE   8          2HD1      ILE   8  -1.156  -3.551 -12.591
   72   3HD1  ILE   8          3HD1      ILE   8  -0.593  -2.460 -11.325
   73    H    LEU   9           H        LEU   9  -4.402  -4.874  -8.079
   74    HA   LEU   9           HA       LEU   9  -5.237  -3.636  -6.393
   75   1HB   LEU   9          2HB       LEU   9  -2.446  -3.821  -5.270
   76   2HB   LEU   9          1HB       LEU   9  -3.814  -3.134  -4.415
   77    HG   LEU   9           HG       LEU   9  -3.565  -6.005  -5.318
   78   1HD1  LEU   9          1HD1      LEU   9  -2.084  -5.429  -3.452
   79   2HD1  LEU   9          2HD1      LEU   9  -3.376  -6.517  -2.955
   80   3HD1  LEU   9          3HD1      LEU   9  -3.467  -4.804  -2.556
   81   1HD2  LEU   9          1HD2      LEU   9  -5.710  -4.660  -3.680
   82   2HD2  LEU   9          2HD2      LEU   9  -5.611  -6.379  -4.062
   83   3HD2  LEU   9          3HD2      LEU   9  -5.880  -5.204  -5.350
   84    H    VAL  10           H        VAL  10  -5.861  -1.711  -7.003
   85    HA   VAL  10           HA       VAL  10  -3.816   0.374  -7.390
   86    HB   VAL  10           HB       VAL  10  -5.493   1.574  -8.802
   87   1HG1  VAL  10          1HG1      VAL  10  -3.696   0.280  -9.818
   88   2HG1  VAL  10          2HG1      VAL  10  -5.162   0.190 -10.792
   89   3HG1  VAL  10          3HG1      VAL  10  -4.700  -1.170  -9.768
   90   1HG2  VAL  10          1HG2      VAL  10  -6.996  -1.034  -8.599
   91   2HG2  VAL  10          2HG2      VAL  10  -7.367   0.257  -9.744
   92   3HG2  VAL  10          3HG2      VAL  10  -7.532   0.539  -8.009
   93    H    CYS  11           H        CYS  11  -4.321   2.482  -6.685
   94    HA   CYS  11           HA       CYS  11  -5.617   2.644  -4.176
   95   1HB   CYS  11          2HB       CYS  11  -3.789   4.143  -4.781
   96   2HB   CYS  11          1HB       CYS  11  -4.742   4.814  -6.100
   97    HG   CYS  11           HG       CYS  11  -4.392   6.132  -3.287
   98    HA   PRO  12           HA       PRO  12  -9.833   3.032  -5.605
   99   1HB   PRO  12          2HB       PRO  12 -10.851   4.075  -3.271
  100   2HB   PRO  12          1HB       PRO  12 -10.589   2.352  -3.557
  101   1HG   PRO  12          2HG       PRO  12  -8.882   4.309  -2.076
  102   2HG   PRO  12          1HG       PRO  12  -9.255   2.623  -1.677
  103   1HD   PRO  12          2HD       PRO  12  -6.906   3.347  -2.772
  104   2HD   PRO  12          1HD       PRO  12  -7.683   1.795  -3.155
  105    H    VAL  13           H        VAL  13  -7.900   5.583  -4.250
  106    HA   VAL  13           HA       VAL  13  -9.790   7.672  -4.880
  107    HB   VAL  13           HB       VAL  13  -6.901   7.926  -4.020
  108   1HG1  VAL  13          1HG1      VAL  13  -9.155   9.933  -4.005
  109   2HG1  VAL  13          2HG1      VAL  13  -7.740   9.955  -5.059
  110   3HG1  VAL  13          3HG1      VAL  13  -7.551  10.191  -3.322
  111   1HG2  VAL  13          1HG2      VAL  13  -9.412   7.988  -2.346
  112   2HG2  VAL  13          2HG2      VAL  13  -7.771   8.281  -1.766
  113   3HG2  VAL  13          3HG2      VAL  13  -8.221   6.689  -2.374
  114    H    CYS  14           H        CYS  14  -6.341   7.577  -5.770
  115    HA   CYS  14           HA       CYS  14  -7.041   8.974  -8.219
  116   1HB   CYS  14          2HB       CYS  14  -4.370   8.412  -6.933
  117   2HB   CYS  14          1HB       CYS  14  -4.594   9.352  -8.406
  118    HG   CYS  14           HG       CYS  14  -4.511  10.477  -5.413
  119    H    LYS  15           H        LYS  15  -7.019   5.867  -7.560
  120    HA   LYS  15           HA       LYS  15  -6.872   3.948  -8.757
  121   1HB   LYS  15          2HB       LYS  15  -6.832   5.782 -11.152
  122   2HB   LYS  15          1HB       LYS  15  -7.315   4.091 -11.127
  123   1HG   LYS  15          2HG       LYS  15  -8.729   6.367  -9.749
  124   2HG   LYS  15          1HG       LYS  15  -9.254   5.531 -11.207
  125   1HD   LYS  15          2HD       LYS  15  -9.443   3.441  -9.923
  126   2HD   LYS  15          1HD       LYS  15  -8.959   4.310  -8.464
  127   1HE   LYS  15          2HE       LYS  15 -11.429   4.799 -10.121
  128   2HE   LYS  15          1HE       LYS  15 -11.368   4.065  -8.521
  129   1HZ   LYS  15          1HZ       LYS  15 -10.484   6.182  -7.669
  130   2HZ   LYS  15          2HZ       LYS  15 -12.029   6.349  -8.336
  131   3HZ   LYS  15          3HZ       LYS  15 -10.671   6.872  -9.207
  132    H    GLY  16           H        GLY  16  -4.328   5.420  -8.068
  133   1HA   GLY  16          2HA       GLY  16  -2.502   4.693 -10.190
  134   2HA   GLY  16          1HA       GLY  16  -2.074   5.395  -8.636
  135    H    ARG  17           H        ARG  17  -0.707   3.253  -9.898
  136    HA   ARG  17           HA       ARG  17  -1.470   0.756  -8.766
  137   1HB   ARG  17          2HB       ARG  17   1.194   1.708  -9.835
  138   2HB   ARG  17          1HB       ARG  17   0.869   0.053  -9.335
  139   1HG   ARG  17          2HG       ARG  17   0.118  -0.393 -11.366
  140   2HG   ARG  17          1HG       ARG  17  -1.169   0.792 -11.143
  141   1HD   ARG  17          2HD       ARG  17   0.094   1.291 -13.149
  142   2HD   ARG  17          1HD       ARG  17   0.334   2.557 -11.945
  143    HE   ARG  17           HE       ARG  17   2.375   0.598 -11.757
  144   1HH1  ARG  17          1HH1      ARG  17   1.301   3.278 -13.744
  145   2HH1  ARG  17          2HH1      ARG  17   2.898   3.652 -14.328
  146   1HH2  ARG  17          1HH2      ARG  17   4.465   1.066 -12.524
  147   2HH2  ARG  17          2HH2      ARG  17   4.701   2.380 -13.651
  148    H    LEU  18           H        LEU  18  -1.016  -0.150  -6.850
  149    HA   LEU  18           HA       LEU  18   0.115   1.572  -4.811
  150   1HB   LEU  18          2HB       LEU  18  -1.127  -1.174  -4.651
  151   2HB   LEU  18          1HB       LEU  18  -0.588  -0.244  -3.267
  152    HG   LEU  18           HG       LEU  18  -2.765   0.629  -5.169
  153   1HD1  LEU  18          1HD1      LEU  18  -2.954  -0.558  -2.402
  154   2HD1  LEU  18          2HD1      LEU  18  -3.452  -1.333  -3.907
  155   3HD1  LEU  18          3HD1      LEU  18  -4.299   0.105  -3.334
  156   1HD2  LEU  18          1HD2      LEU  18  -1.573   2.475  -4.092
  157   2HD2  LEU  18          2HD2      LEU  18  -1.876   1.750  -2.513
  158   3HD2  LEU  18          3HD2      LEU  18  -3.224   2.330  -3.491
  159    H    GLU  19           H        GLU  19   1.821   0.970  -3.436
  160    HA   GLU  19           HA       GLU  19   3.580  -1.150  -4.471
  161   1HB   GLU  19          2HB       GLU  19   4.115   1.577  -4.494
  162   2HB   GLU  19          1HB       GLU  19   4.965   0.999  -3.068
  163   1HG   GLU  19          2HG       GLU  19   5.278  -0.145  -5.836
  164   2HG   GLU  19          1HG       GLU  19   6.354   1.043  -5.108
  165    H    PHE  20           H        PHE  20   4.167  -2.606  -2.998
  166    HA   PHE  20           HA       PHE  20   3.055  -2.376  -0.342
  167   1HB   PHE  20          2HB       PHE  20   2.950  -4.498  -1.668
  168   2HB   PHE  20          1HB       PHE  20   4.699  -4.628  -1.531
  169    HD1  PHE  20           1HD      PHE  20   1.567  -4.555   0.442
  170    HD2  PHE  20           2HD      PHE  20   5.689  -5.605   0.352
  171    HE1  PHE  20           1HE      PHE  20   1.298  -5.768   2.564
  172    HE2  PHE  20           2HE      PHE  20   5.427  -6.821   2.475
  173    HZ   PHE  20           HZ       PHE  20   3.228  -6.906   3.583
  174    H    GLN  21           H        GLN  21   4.307  -0.694   0.528
  175    HA   GLN  21           HA       GLN  21   7.150  -0.749   0.474
  176   1HB   GLN  21          2HB       GLN  21   5.100   0.951   1.807
  177   2HB   GLN  21          1HB       GLN  21   6.751   0.997   2.416
  178   1HG   GLN  21          2HG       GLN  21   5.973   1.485  -0.448
  179   2HG   GLN  21          1HG       GLN  21   6.255   2.748   0.748
  180   1HE2  GLN  21          1HE2      GLN  21   7.945   3.632  -0.400
  181   2HE2  GLN  21          2HE2      GLN  21   9.501   2.866  -0.520
  182    H    ARG  22           H        ARG  22   8.590  -1.052   2.160
  183    HA   ARG  22           HA       ARG  22   7.594  -3.007   4.117
  184   1HB   ARG  22          2HB       ARG  22  10.442  -2.909   3.122
  185   2HB   ARG  22          1HB       ARG  22   9.620  -4.231   3.933
  186   1HG   ARG  22          2HG       ARG  22   9.697  -5.011   1.783
  187   2HG   ARG  22          1HG       ARG  22   8.121  -4.218   1.790
  188   1HD   ARG  22          2HD       ARG  22   9.197  -2.189   0.844
  189   2HD   ARG  22          1HD       ARG  22  10.712  -3.084   0.736
  190    HE   ARG  22           HE       ARG  22   9.291  -4.668  -0.713
  191   1HH1  ARG  22          1HH1      ARG  22   8.960  -1.183  -0.609
  192   2HH1  ARG  22          2HH1      ARG  22   8.285  -1.079  -2.212
  193   1HH2  ARG  22          1HH2      ARG  22   8.408  -4.517  -2.827
  194   2HH2  ARG  22          2HH2      ARG  22   7.986  -2.949  -3.458
  195    H    ALA  23           H        ALA  23   7.231  -1.529   5.705
  196    HA   ALA  23           HA       ALA  23   9.639  -0.899   7.220
  197   1HB   ALA  23          1HB       ALA  23   7.442   1.117   6.722
  198   2HB   ALA  23          2HB       ALA  23   9.093   1.207   6.108
  199   3HB   ALA  23          3HB       ALA  23   8.790   1.323   7.842
  200    H    GLN  24           H        GLN  24   6.100  -0.710   7.167
  201    HA   GLN  24           HA       GLN  24   6.095  -2.315   9.633
  202   1HB   GLN  24          2HB       GLN  24   4.105  -0.174   8.857
  203   2HB   GLN  24          1HB       GLN  24   3.997  -1.199  10.281
  204   1HG   GLN  24          2HG       GLN  24   6.137  -0.240  11.075
  205   2HG   GLN  24          1HG       GLN  24   6.117   0.852   9.692
  206   1HE2  GLN  24          1HE2      GLN  24   6.063   2.673  11.001
  207   2HE2  GLN  24          2HE2      GLN  24   4.650   3.119  11.899
  208    H    ALA  25           H        ALA  25   4.314  -1.379   6.735
  209    HA   ALA  25           HA       ALA  25   3.607  -3.509   5.417
  210   1HB   ALA  25          1HB       ALA  25   2.979  -4.744   7.472
  211   2HB   ALA  25          2HB       ALA  25   1.650  -4.617   6.321
  212   3HB   ALA  25          3HB       ALA  25   1.684  -3.578   7.745
  213    H    GLU  26           H        GLU  26   3.331  -1.575   4.111
  214    HA   GLU  26           HA       GLU  26   0.589  -0.594   4.202
  215   1HB   GLU  26          2HB       GLU  26   1.399   1.769   3.958
  216   2HB   GLU  26          1HB       GLU  26   1.644   1.052   5.543
  217   1HG   GLU  26          2HG       GLU  26   3.897   0.763   3.681
  218   2HG   GLU  26          1HG       GLU  26   3.523   2.418   4.160
  219    H    LEU  27           H        LEU  27  -0.259   0.041   2.291
  220    HA   LEU  27           HA       LEU  27   1.417  -0.242  -0.103
  221   1HB   LEU  27          2HB       LEU  27  -1.577   0.099   0.109
  222   2HB   LEU  27          1HB       LEU  27  -0.679  -0.266  -1.346
  223    HG   LEU  27           HG       LEU  27  -0.825  -2.106   1.043
  224   1HD1  LEU  27          1HD1      LEU  27  -2.352  -2.185  -1.556
  225   2HD1  LEU  27          2HD1      LEU  27  -3.027  -1.857   0.039
  226   3HD1  LEU  27          3HD1      LEU  27  -2.353  -3.447  -0.325
  227   1HD2  LEU  27          1HD2      LEU  27   0.098  -3.756  -0.488
  228   2HD2  LEU  27          2HD2      LEU  27   1.173  -2.365  -0.359
  229   3HD2  LEU  27          3HD2      LEU  27   0.144  -2.556  -1.778
  230    H    VAL  28           H        VAL  28   2.399   1.593  -0.683
  231    HA   VAL  28           HA       VAL  28   1.211   4.128   0.162
  232    HB   VAL  28           HB       VAL  28   3.996   3.538  -0.858
  233   1HG1  VAL  28          1HG1      VAL  28   2.881   6.055   0.372
  234   2HG1  VAL  28          2HG1      VAL  28   3.295   5.841  -1.331
  235   3HG1  VAL  28          3HG1      VAL  28   4.558   5.781  -0.100
  236   1HG2  VAL  28          1HG2      VAL  28   3.563   2.524   1.308
  237   2HG2  VAL  28          2HG2      VAL  28   2.971   4.068   1.926
  238   3HG2  VAL  28          3HG2      VAL  28   4.669   3.890   1.474
  239    H    CYS  29           H        CYS  29   0.272   5.471  -1.200
  240    HA   CYS  29           HA       CYS  29   0.580   5.194  -4.078
  241   1HB   CYS  29          2HB       CYS  29  -0.882   7.326  -2.502
  242   2HB   CYS  29          1HB       CYS  29  -1.054   6.988  -4.217
  243    HG   CYS  29           HG       CYS  29  -1.689   4.342  -2.287
  244    H    ASN  30           H        ASN  30   1.877   6.508  -5.326
  245    HA   ASN  30           HA       ASN  30   3.993   7.780  -3.875
  246   1HB   ASN  30          2HB       ASN  30   3.551   7.611  -6.866
  247   2HB   ASN  30          1HB       ASN  30   5.032   8.151  -6.079
  248   1HD2  ASN  30          1HD2      ASN  30   3.099   5.456  -6.985
  249   2HD2  ASN  30          2HD2      ASN  30   4.205   4.226  -6.497
  250    H    ALA  31           H        ALA  31   1.613   8.946  -6.248
  251    HA   ALA  31           HA       ALA  31   2.395  11.651  -6.088
  252   1HB   ALA  31          1HB       ALA  31   0.313  12.151  -7.210
  253   2HB   ALA  31          2HB       ALA  31  -0.315  10.552  -6.810
  254   3HB   ALA  31          3HB       ALA  31   1.047  10.713  -7.919
  255    H    ASP  32           H        ASP  32  -0.316   9.937  -4.541
  256    HA   ASP  32           HA       ASP  32  -1.222  12.152  -3.032
  257   1HB   ASP  32          2HB       ASP  32  -1.615   9.205  -2.470
  258   2HB   ASP  32          1HB       ASP  32  -2.579  10.520  -1.808
  259    H    ARG  33           H        ARG  33   1.324   9.873  -2.552
  260    HA   ARG  33           HA       ARG  33   2.675   9.296  -0.828
  261   1HB   ARG  33          2HB       ARG  33   2.113  12.173  -0.132
  262   2HB   ARG  33          1HB       ARG  33   3.213  11.176   0.814
  263   1HG   ARG  33          2HG       ARG  33   4.348  10.681  -1.449
  264   2HG   ARG  33          1HG       ARG  33   3.473  12.098  -2.019
  265   1HD   ARG  33          2HD       ARG  33   5.220  12.131   0.420
  266   2HD   ARG  33          1HD       ARG  33   5.840  12.459  -1.194
  267    HE   ARG  33           HE       ARG  33   3.805  14.099   0.182
  268   1HH1  ARG  33          1HH1      ARG  33   6.431  13.747  -2.102
  269   2HH1  ARG  33          2HH1      ARG  33   6.538  15.445  -2.440
  270   1HH2  ARG  33          1HH2      ARG  33   3.972  16.340  -0.220
  271   2HH2  ARG  33          2HH2      ARG  33   5.168  16.917  -1.356
  272    H    LEU  34           H        LEU  34   0.169   8.359  -0.636
  273    HA   LEU  34           HA       LEU  34  -0.457   8.517   2.241
  274   1HB   LEU  34          2HB       LEU  34  -2.205   8.006  -0.149
  275   2HB   LEU  34          1HB       LEU  34  -2.698   7.521   1.462
  276    HG   LEU  34           HG       LEU  34  -1.959  10.353   0.774
  277   1HD1  LEU  34          1HD1      LEU  34  -4.365  10.802   0.627
  278   2HD1  LEU  34          2HD1      LEU  34  -4.695   9.078   0.799
  279   3HD1  LEU  34          3HD1      LEU  34  -3.842   9.677  -0.626
  280   1HD2  LEU  34          1HD2      LEU  34  -3.231  10.858   2.807
  281   2HD2  LEU  34          2HD2      LEU  34  -1.869   9.785   3.136
  282   3HD2  LEU  34          3HD2      LEU  34  -3.505   9.133   3.056
  283    H    ALA  35           H        ALA  35  -0.166   6.759   3.403
  284    HA   ALA  35           HA       ALA  35   0.422   4.241   2.004
  285   1HB   ALA  35          1HB       ALA  35   1.572   3.575   4.072
  286   2HB   ALA  35          2HB       ALA  35   1.152   5.131   4.790
  287   3HB   ALA  35          3HB       ALA  35   2.229   5.065   3.395
  288    H    PHE  36           H        PHE  36  -1.306   2.985   1.855
  289    HA   PHE  36           HA       PHE  36  -3.363   2.981   3.883
  290   1HB   PHE  36          2HB       PHE  36  -2.988   1.316   1.386
  291   2HB   PHE  36          1HB       PHE  36  -4.375   1.175   2.461
  292    HD1  PHE  36           2HD      PHE  36  -5.826   3.224   2.812
  293    HD2  PHE  36           1HD      PHE  36  -2.945   2.919  -0.305
  294    HE1  PHE  36           2HE      PHE  36  -6.959   5.034   1.593
  295    HE2  PHE  36           1HE      PHE  36  -4.076   4.727  -1.530
  296    HZ   PHE  36           HZ       PHE  36  -6.086   5.786  -0.582
  297    HA   PRO  37           HA       PRO  37  -1.003   0.115   6.274
  298   1HB   PRO  37          2HB       PRO  37  -3.266   0.027   8.104
  299   2HB   PRO  37          1HB       PRO  37  -1.667   0.736   8.346
  300   1HG   PRO  37          2HG       PRO  37  -3.917   2.230   8.105
  301   2HG   PRO  37          1HG       PRO  37  -2.321   2.798   7.576
  302   1HD   PRO  37          2HD       PRO  37  -4.568   1.662   5.949
  303   2HD   PRO  37          1HD       PRO  37  -3.501   3.038   5.589
  304    H    VAL  38           H        VAL  38  -0.804  -1.974   5.871
  305    HA   VAL  38           HA       VAL  38  -3.145  -3.640   5.407
  306    HB   VAL  38           HB       VAL  38  -0.235  -4.463   5.432
  307   1HG1  VAL  38          1HG1      VAL  38  -1.780  -6.308   5.752
  308   2HG1  VAL  38          2HG1      VAL  38  -1.020  -6.401   4.163
  309   3HG1  VAL  38          3HG1      VAL  38  -2.681  -5.824   4.315
  310   1HG2  VAL  38          1HG2      VAL  38  -0.361  -4.364   2.981
  311   2HG2  VAL  38          2HG2      VAL  38  -0.582  -2.781   3.723
  312   3HG2  VAL  38          3HG2      VAL  38  -1.976  -3.663   3.101
  313    H    ARG  39           H        ARG  39  -4.180  -3.948   7.323
  314    HA   ARG  39           HA       ARG  39  -2.636  -4.262   9.745
  315   1HB   ARG  39          2HB       ARG  39  -4.686  -2.874   9.724
  316   2HB   ARG  39          1HB       ARG  39  -5.634  -4.311   9.363
  317   1HG   ARG  39          2HG       ARG  39  -4.966  -5.299  11.487
  318   2HG   ARG  39          1HG       ARG  39  -3.988  -3.877  11.846
  319   1HD   ARG  39          2HD       ARG  39  -6.015  -2.489  11.784
  320   2HD   ARG  39          1HD       ARG  39  -6.980  -3.931  11.465
  321    HE   ARG  39           HE       ARG  39  -5.559  -4.451  13.777
  322   1HH1  ARG  39          1HH1      ARG  39  -7.990  -2.142  12.724
  323   2HH1  ARG  39          2HH1      ARG  39  -8.598  -1.876  14.332
  324   1HH2  ARG  39          1HH2      ARG  39  -6.372  -4.124  15.853
  325   2HH2  ARG  39          2HH2      ARG  39  -7.700  -3.027  16.112
  326    H    ASP  40           H        ASP  40  -1.604  -6.203   9.347
  327    HA   ASP  40           HA       ASP  40  -1.274  -8.446   9.431
  328   1HB   ASP  40          2HB       ASP  40  -2.007  -7.933  11.742
  329   2HB   ASP  40          1HB       ASP  40  -3.663  -8.312  11.282
  330    H    GLY  41           H        GLY  41  -2.148  -8.250   7.119
  331   1HA   GLY  41          2HA       GLY  41  -2.913  -9.962   5.650
  332   2HA   GLY  41          1HA       GLY  41  -4.118 -10.406   6.842
  333    H    VAL  42           H        VAL  42  -5.025  -7.646   7.282
  334    HA   VAL  42           HA       VAL  42  -6.608  -7.431   4.804
  335    HB   VAL  42           HB       VAL  42  -7.430  -6.625   7.596
  336   1HG1  VAL  42          1HG1      VAL  42  -8.994  -6.698   5.014
  337   2HG1  VAL  42          2HG1      VAL  42  -8.498  -5.254   5.891
  338   3HG1  VAL  42          3HG1      VAL  42  -9.673  -6.355   6.605
  339   1HG2  VAL  42          1HG2      VAL  42  -8.218  -9.015   5.939
  340   2HG2  VAL  42          2HG2      VAL  42  -8.994  -8.534   7.448
  341   3HG2  VAL  42          3HG2      VAL  42  -7.300  -9.029   7.445
  342    HA   PRO  43           HA       PRO  43  -4.653  -3.360   4.620
  343   1HB   PRO  43          2HB       PRO  43  -5.812  -3.246   1.950
  344   2HB   PRO  43          1HB       PRO  43  -4.112  -3.273   2.423
  345   1HG   PRO  43          2HG       PRO  43  -5.324  -5.355   1.165
  346   2HG   PRO  43          1HG       PRO  43  -3.973  -5.559   2.295
  347   1HD   PRO  43          2HD       PRO  43  -6.905  -5.947   2.755
  348   2HD   PRO  43          1HD       PRO  43  -5.536  -6.931   3.313
  349    H    ILE  44           H        ILE  44  -5.597  -1.604   5.401
  350    HA   ILE  44           HA       ILE  44  -8.478  -1.237   5.083
  351    HB   ILE  44           HB       ILE  44  -6.514   0.387   6.720
  352   1HG1  ILE  44          2HG1      ILE  44  -6.685  -1.896   7.563
  353   2HG1  ILE  44          1HG1      ILE  44  -7.502  -0.788   8.657
  354   1HG2  ILE  44          1HG2      ILE  44  -9.529   0.381   6.697
  355   2HG2  ILE  44          2HG2      ILE  44  -8.488   1.665   6.081
  356   3HG2  ILE  44          3HG2      ILE  44  -8.511   1.300   7.807
  357   1HD1  ILE  44          1HD1      ILE  44  -9.662  -1.454   7.742
  358   2HD1  ILE  44          2HD1      ILE  44  -8.766  -2.846   8.357
  359   3HD1  ILE  44          3HD1      ILE  44  -8.849  -2.550   6.622
  360    H    MET  45           H        MET  45  -8.967  -0.385   3.150
  361    HA   MET  45           HA       MET  45  -7.134   1.463   1.866
  362   1HB   MET  45          2HB       MET  45  -9.772   0.377   0.866
  363   2HB   MET  45          1HB       MET  45  -8.546   1.197  -0.094
  364   1HG   MET  45          2HG       MET  45  -8.264  -1.476   1.262
  365   2HG   MET  45          1HG       MET  45  -8.467  -1.188  -0.464
  366   1HE   MET  45          1HE       MET  45  -6.556   1.413  -0.839
  367   2HE   MET  45          2HE       MET  45  -6.664   0.060  -1.962
  368   3HE   MET  45          3HE       MET  45  -5.089   0.592  -1.377
  369    H    LEU  46           H        LEU  46  -8.940   2.133   4.252
  370    HA   LEU  46           HA       LEU  46 -10.542   4.292   3.154
  371   1HB   LEU  46          2HB       LEU  46 -10.045   3.459   6.014
  372   2HB   LEU  46          1HB       LEU  46 -11.152   4.721   5.513
  373    HG   LEU  46           HG       LEU  46 -11.418   1.787   4.832
  374   1HD1  LEU  46          1HD1      LEU  46 -11.841   2.252   7.191
  375   2HD1  LEU  46          2HD1      LEU  46 -13.336   1.848   6.348
  376   3HD1  LEU  46          3HD1      LEU  46 -12.972   3.528   6.744
  377   1HD2  LEU  46          1HD2      LEU  46 -12.312   3.248   3.082
  378   2HD2  LEU  46          2HD2      LEU  46 -13.268   4.108   4.288
  379   3HD2  LEU  46          3HD2      LEU  46 -13.604   2.412   3.945
  380    H    GLU  47           H        GLU  47  -9.681   6.203   2.743
  381    HA   GLU  47           HA       GLU  47  -6.986   6.789   3.264
  382   1HB   GLU  47          2HB       GLU  47  -7.386   8.928   2.246
  383   2HB   GLU  47          1HB       GLU  47  -8.272   7.705   1.355
  384   1HG   GLU  47          2HG       GLU  47  -9.437   9.638   3.350
  385   2HG   GLU  47          1HG       GLU  47  -9.560   9.751   1.597
  386    H    ALA  48           H        ALA  48  -9.898   7.569   5.027
  387    HA   ALA  48           HA       ALA  48  -8.786   9.601   6.669
  388   1HB   ALA  48          1HB       ALA  48 -10.776   9.315   8.049
  389   2HB   ALA  48          2HB       ALA  48 -11.163   7.817   7.200
  390   3HB   ALA  48          3HB       ALA  48 -11.199   9.356   6.336
  391    H    GLU  49           H        GLU  49  -8.551   6.165   6.732
  392    HA   GLU  49           HA       GLU  49  -7.431   6.289   9.452
  393   1HB   GLU  49          2HB       GLU  49  -8.644   3.959   7.958
  394   2HB   GLU  49          1HB       GLU  49  -7.812   3.812   9.501
  395   1HG   GLU  49          2HG       GLU  49  -9.464   5.395  10.473
  396   2HG   GLU  49          1HG       GLU  49 -10.343   5.344   8.948
  397    H    ALA  50           H        ALA  50  -6.425   6.535   6.463
  398    HA   ALA  50           HA       ALA  50  -4.258   4.610   6.489
  399   1HB   ALA  50          1HB       ALA  50  -5.344   5.140   4.365
  400   2HB   ALA  50          2HB       ALA  50  -3.644   5.611   4.334
  401   3HB   ALA  50          3HB       ALA  50  -4.893   6.835   4.551
  402    H    ARG  51           H        ARG  51  -2.009   5.423   6.133
  403    HA   ARG  51           HA       ARG  51  -1.555   7.705   7.931
  404   1HB   ARG  51          2HB       ARG  51  -0.660   5.501   8.673
  405   2HB   ARG  51          1HB       ARG  51   0.349   5.459   7.234
  406   1HG   ARG  51          2HG       ARG  51   0.641   7.897   8.822
  407   2HG   ARG  51          1HG       ARG  51   1.112   6.421   9.664
  408   1HD   ARG  51          2HD       ARG  51   2.108   7.243   6.936
  409   2HD   ARG  51          1HD       ARG  51   2.978   7.515   8.445
  410    HE   ARG  51           HE       ARG  51   2.791   5.065   6.975
  411   1HH1  ARG  51          1HH1      ARG  51   3.152   6.399  10.186
  412   2HH1  ARG  51          2HH1      ARG  51   4.025   5.036  10.800
  413   1HH2  ARG  51          1HH2      ARG  51   3.970   3.245   7.768
  414   2HH2  ARG  51          2HH2      ARG  51   4.496   3.250   9.426
  415    H    SER  52           H        SER  52  -1.211   9.501   6.812
  416    HA   SER  52           HA       SER  52  -0.145   9.499   4.171
  417   1HB   SER  52          2HB       SER  52  -1.651  11.232   4.624
  418   2HB   SER  52          1HB       SER  52  -0.834  11.678   6.117
  419    HG   SER  52           HG       SER  52  -0.327  12.413   3.502
  420    H    LEU  53           H        LEU  53   1.776  10.451   3.473
  421    HA   LEU  53           HA       LEU  53   3.935  10.381   5.476
  422   1HB   LEU  53          2HB       LEU  53   4.146  10.071   2.473
  423   2HB   LEU  53          1HB       LEU  53   5.462   9.923   3.621
  424    HG   LEU  53           HG       LEU  53   3.088   8.062   3.464
  425   1HD1  LEU  53          1HD1      LEU  53   4.671   6.445   2.554
  426   2HD1  LEU  53          2HD1      LEU  53   5.939   7.671   2.565
  427   3HD1  LEU  53          3HD1      LEU  53   4.537   7.861   1.511
  428   1HD2  LEU  53          1HD2      LEU  53   5.634   7.877   5.074
  429   2HD2  LEU  53          2HD2      LEU  53   4.355   6.664   5.006
  430   3HD2  LEU  53          3HD2      LEU  53   4.034   8.247   5.718
  431    H    ASP  54           H        ASP  54   1.969  12.470   4.205
  432    HA   ASP  54           HA       ASP  54   4.011  14.496   3.586
  433   1HB   ASP  54          2HB       ASP  54   2.412  13.991   1.747
  434   2HB   ASP  54          1HB       ASP  54   1.088  14.473   2.802
  435    H    ALA  55           H        ALA  55   0.984  13.878   5.297
  436    HA   ALA  55           HA       ALA  55   1.390  16.402   6.770
  437   1HB   ALA  55          1HB       ALA  55  -0.577  16.428   5.273
  438   2HB   ALA  55          2HB       ALA  55  -0.997  16.624   6.976
  439   3HB   ALA  55          3HB       ALA  55  -1.248  15.070   6.180
  440    H    GLU  56           H        GLU  56   1.308  13.064   7.027
  441    HA   GLU  56           HA       GLU  56   0.671  13.197   9.891
  442   1HB   GLU  56          2HB       GLU  56  -0.858  11.767   8.589
  443   2HB   GLU  56          1HB       GLU  56   0.512  10.829   8.015
  444   1HG   GLU  56          2HG       GLU  56  -0.679   9.677   9.790
  445   2HG   GLU  56          1HG       GLU  56   0.969  10.070  10.274
  446    H    ALA  57           H        ALA  57   2.073  12.183  11.345
  447    HA   ALA  57           HA       ALA  57   4.810  12.333  10.716
  448   1HB   ALA  57          1HB       ALA  57   3.939  12.638  12.988
  449   2HB   ALA  57          2HB       ALA  57   5.203  11.406  12.940
  450   3HB   ALA  57          3HB       ALA  57   3.508  10.930  13.049
  451    HA   PRO  58           HA       PRO  58   5.022   8.274   8.897
  452   1HB   PRO  58          2HB       PRO  58   7.297   8.862   7.458
  453   2HB   PRO  58          1HB       PRO  58   5.656   9.248   6.944
  454   1HG   PRO  58          2HG       PRO  58   7.752  11.058   7.715
  455   2HG   PRO  58          1HG       PRO  58   6.122  11.447   7.146
  456   1HD   PRO  58          2HD       PRO  58   7.182  11.370   9.892
  457   2HD   PRO  58          1HD       PRO  58   5.746  12.200   9.262
  458    H    ALA  59           H        ALA  59   5.575   7.038  10.704
  459    HA   ALA  59           HA       ALA  59   8.354   6.868  11.519
  460   1HB   ALA  59          1HB       ALA  59   6.581   6.528  13.183
  461   2HB   ALA  59          2HB       ALA  59   7.603   5.100  13.013
  462   3HB   ALA  59          3HB       ALA  59   6.002   5.128  12.274
  463    H    GLN  60           H        GLN  60   9.558   6.159   9.800
  464    HA   GLN  60           HA       GLN  60   8.649   3.687   8.465
  465   1HB   GLN  60          2HB       GLN  60   8.763   6.201   7.324
  466   2HB   GLN  60          1HB       GLN  60  10.279   5.470   6.815
  467   1HG   GLN  60          2HG       GLN  60   8.634   5.061   5.141
  468   2HG   GLN  60          1HG       GLN  60   8.999   3.538   5.950
  469   1HE2  GLN  60          1HE2      GLN  60   7.074   2.605   5.380
  470   2HE2  GLN  60          2HE2      GLN  60   5.565   3.051   6.099
  471    HA   PRO  61           HA       PRO  61  13.059   2.894   9.425
  472   1HB   PRO  61          2HB       PRO  61  12.914   1.534  11.730
  473   2HB   PRO  61          1HB       PRO  61  12.889   3.300  11.702
  474   1HG   PRO  61          2HG       PRO  61  10.715   1.409  12.296
  475   2HG   PRO  61          1HG       PRO  61  10.858   3.122  12.718
  476   1HD   PRO  61          2HD       PRO  61   9.419   1.909  10.506
  477   2HD   PRO  61          1HD       PRO  61   9.429   3.606  11.026
  478    H    SER  62           H        SER  62  14.142   0.740   9.563
  479    HA   SER  62           HA       SER  62  14.429  -1.447   9.066
  480   1HB   SER  62          2HB       SER  62  11.502  -1.805   9.743
  481   2HB   SER  62          1HB       SER  62  12.753  -3.051   9.732
  482    HG   SER  62           HG       SER  62  12.406  -0.897  11.521
  483    H    LEU  63           H        LEU  63  14.784  -0.861   6.882
  484    HA   LEU  63           HA       LEU  63  12.525  -1.309   5.052
  485   1HB   LEU  63          2HB       LEU  63  15.211  -0.042   4.500
  486   2HB   LEU  63          1HB       LEU  63  13.875  -0.156   3.372
  487    HG   LEU  63           HG       LEU  63  13.801   1.416   5.950
  488   1HD1  LEU  63          1HD1      LEU  63  14.174   2.335   3.104
  489   2HD1  LEU  63          2HD1      LEU  63  15.391   2.370   4.380
  490   3HD1  LEU  63          3HD1      LEU  63  13.954   3.382   4.506
  491   1HD2  LEU  63          1HD2      LEU  63  11.899   1.338   3.609
  492   2HD2  LEU  63          2HD2      LEU  63  11.755   2.364   5.037
  493   3HD2  LEU  63          3HD2      LEU  63  11.614   0.611   5.190
  494    H    GLU  64           H        GLU  64  12.440  -3.418   4.510
  495    HA   GLU  64           HA       GLU  64  14.963  -4.854   4.128
  496   1HB   GLU  64          2HB       GLU  64  13.653  -6.908   4.366
  497   2HB   GLU  64          1HB       GLU  64  13.436  -5.845   5.746
  498   1HG   GLU  64          2HG       GLU  64  11.282  -6.393   5.447
  499   2HG   GLU  64          1HG       GLU  64  11.341  -5.077   4.274
  500    H    HIS  65           H        HIS  65  14.961  -6.537   2.366
  501    HA   HIS  65           HA       HIS  65  13.968  -5.240  -0.093
  502   1HB   HIS  65          2HB       HIS  65  16.293  -7.160   0.212
  503   2HB   HIS  65          1HB       HIS  65  15.842  -6.293  -1.247
  504    HD1  HIS  65           1HD      HIS  65  16.944  -4.084  -1.619
  505    HD2  HIS  65           2HD      HIS  65  17.340  -5.424   2.302
  506    HE1  HIS  65           1HE      HIS  65  18.544  -2.488  -0.510
  507    HE2  HIS  65           2HE      HIS  65  18.933  -3.453   1.784
  508    H    HIS  66           H        HIS  66  12.565  -7.278   1.637
  509    HA   HIS  66           HA       HIS  66  11.432  -9.223   1.559
  510   1HB   HIS  66          2HB       HIS  66  11.769  -8.639  -1.332
  511   2HB   HIS  66          1HB       HIS  66  11.289 -10.277  -0.898
  512    HD1  HIS  66           1HD      HIS  66  10.097  -7.289   1.066
  513    HD2  HIS  66           2HD      HIS  66   8.673 -10.000  -1.760
  514    HE1  HIS  66           1HE      HIS  66   7.613  -6.913   0.948
  515    HE2  HIS  66           2HE      HIS  66   6.755  -8.737  -0.568
  516    H    HIS  67           H        HIS  67  14.181  -9.601  -0.712
  517    HA   HIS  67           HA       HIS  67  14.962 -12.064   0.593
  518   1HB   HIS  67          2HB       HIS  67  16.257 -10.338  -1.518
  519   2HB   HIS  67          1HB       HIS  67  17.099 -11.704  -0.791
  520    HD1  HIS  67           1HD      HIS  67  15.622 -11.051  -3.796
  521    HD2  HIS  67           2HD      HIS  67  14.940 -14.035  -0.975
  522    HE1  HIS  67           1HE      HIS  67  14.543 -12.949  -5.054
  523    HE2  HIS  67           2HE      HIS  67  14.290 -14.793  -3.357
  524    H    HIS  68           H        HIS  68  14.896 -11.070   2.725
  525    HA   HIS  68           HA       HIS  68  17.225  -9.361   3.283
  526   1HB   HIS  68          2HB       HIS  68  16.036  -8.476   5.203
  527   2HB   HIS  68          1HB       HIS  68  15.030  -8.305   3.770
  528    HD1  HIS  68           1HD      HIS  68  14.814  -9.267   7.188
  529    HD2  HIS  68           2HD      HIS  68  13.060 -10.619   3.662
  530    HE1  HIS  68           1HE      HIS  68  12.756 -10.535   7.890
  531    HE2  HIS  68           2HE      HIS  68  11.622 -11.193   5.736
  532    H    HIS  69           H        HIS  69  16.682 -12.413   3.255
  533    HA   HIS  69           HA       HIS  69  18.311 -13.016   5.557
  534   1HB   HIS  69          2HB       HIS  69  15.933 -12.970   6.421
  535   2HB   HIS  69          1HB       HIS  69  15.588 -14.315   5.339
  536    HD1  HIS  69           1HD      HIS  69  15.075 -15.949   7.243
  537    HD2  HIS  69           2HD      HIS  69  18.888 -14.295   7.458
  538    HE1  HIS  69           1HE      HIS  69  16.305 -17.286   8.991
  539    HE2  HIS  69           2HE      HIS  69  18.553 -16.166   9.214
  540    H    HIS  70           H        HIS  70  16.250 -14.276   2.977
  541    HA   HIS  70           HA       HIS  70  18.529 -15.623   1.845
  542   1HB   HIS  70          2HB       HIS  70  16.685 -17.108   3.416
  543   2HB   HIS  70          1HB       HIS  70  16.386 -17.526   1.730
  544    HD1  HIS  70           1HD      HIS  70  18.372 -18.623   0.409
  545    HD2  HIS  70           2HD      HIS  70  19.052 -18.066   4.476
  546    HE1  HIS  70           1HE      HIS  70  20.410 -19.989   0.952
  547    HE2  HIS  70           2HE      HIS  70  20.927 -19.461   3.362
  Start of MODEL   18
    1   1H    MET   1          1H        MET   1 -23.649   9.843 -17.290
    2   2H    MET   1          2H        MET   1 -23.034  10.061 -18.852
    3   3H    MET   1          3H        MET   1 -23.405  11.411 -17.894
    4    HA   MET   1           HA       MET   1 -21.042  11.071 -17.962
    5   1HB   MET   1          2HB       MET   1 -21.967  11.996 -15.912
    6   2HB   MET   1          1HB       MET   1 -22.323  10.384 -15.307
    7   1HG   MET   1          2HG       MET   1 -19.922   9.888 -15.242
    8   2HG   MET   1          1HG       MET   1 -19.584  11.521 -15.813
    9   1HE   MET   1          1HE       MET   1 -17.929  11.761 -13.693
   10   2HE   MET   1          2HE       MET   1 -18.381  10.151 -13.139
   11   3HE   MET   1          3HE       MET   1 -18.451  11.519 -12.028
   12    H    GLU   2           H        GLU   2 -19.569   9.621 -18.543
   13    HA   GLU   2           HA       GLU   2 -20.067   6.802 -18.123
   14   1HB   GLU   2          2HB       GLU   2 -19.106   7.577 -20.259
   15   2HB   GLU   2          1HB       GLU   2 -17.691   8.175 -19.401
   16   1HG   GLU   2          2HG       GLU   2 -17.157   5.899 -18.694
   17   2HG   GLU   2          1HG       GLU   2 -18.574   5.300 -19.552
   18    H    SER   3           H        SER   3 -19.824   6.217 -16.066
   19    HA   SER   3           HA       SER   3 -17.185   5.984 -15.024
   20   1HB   SER   3          2HB       SER   3 -17.781   8.354 -14.383
   21   2HB   SER   3          1HB       SER   3 -19.089   7.695 -13.403
   22    HG   SER   3           HG       SER   3 -16.361   6.974 -13.092
   23    H    ARG   4           H        ARG   4 -17.665   3.815 -14.976
   24    HA   ARG   4           HA       ARG   4 -19.818   2.993 -13.146
   25   1HB   ARG   4          2HB       ARG   4 -18.777   1.615 -15.624
   26   2HB   ARG   4          1HB       ARG   4 -19.879   0.866 -14.479
   27   1HG   ARG   4          2HG       ARG   4 -20.472   3.387 -16.023
   28   2HG   ARG   4          1HG       ARG   4 -20.987   1.771 -16.500
   29   1HD   ARG   4          2HD       ARG   4 -22.829   2.818 -15.401
   30   2HD   ARG   4          1HD       ARG   4 -22.188   1.590 -14.311
   31    HE   ARG   4           HE       ARG   4 -20.946   3.991 -13.659
   32   1HH1  ARG   4          1HH1      ARG   4 -24.221   2.755 -13.695
   33   2HH1  ARG   4          2HH1      ARG   4 -24.729   3.704 -12.329
   34   1HH2  ARG   4          1HH2      ARG   4 -21.599   5.219 -11.863
   35   2HH2  ARG   4          2HH2      ARG   4 -23.229   5.090 -11.269
   36    H    LEU   5           H        LEU   5 -18.918   0.192 -13.283
   37    HA   LEU   5           HA       LEU   5 -17.081   0.350 -11.084
   38   1HB   LEU   5          2HB       LEU   5 -19.036  -1.348 -11.624
   39   2HB   LEU   5          1HB       LEU   5 -17.755  -2.228 -12.431
   40    HG   LEU   5           HG       LEU   5 -17.643  -1.424  -9.519
   41   1HD1  LEU   5          1HD1      LEU   5 -19.529  -2.925  -9.918
   42   2HD1  LEU   5          2HD1      LEU   5 -18.249  -3.721  -9.001
   43   3HD1  LEU   5          3HD1      LEU   5 -18.451  -4.068 -10.719
   44   1HD2  LEU   5          1HD2      LEU   5 -16.032  -3.413 -11.121
   45   2HD2  LEU   5          2HD2      LEU   5 -15.889  -3.128  -9.386
   46   3HD2  LEU   5          3HD2      LEU   5 -15.463  -1.853 -10.528
   47    H    LEU   6           H        LEU   6 -15.512   1.505 -12.570
   48    HA   LEU   6           HA       LEU   6 -13.584  -0.491 -13.553
   49   1HB   LEU   6          2HB       LEU   6 -14.332   2.137 -14.832
   50   2HB   LEU   6          1HB       LEU   6 -12.811   1.344 -15.170
   51    HG   LEU   6           HG       LEU   6 -14.206   0.786 -16.963
   52   1HD1  LEU   6          1HD1      LEU   6 -12.974  -1.119 -16.049
   53   2HD1  LEU   6          2HD1      LEU   6 -14.482  -1.609 -16.825
   54   3HD1  LEU   6          3HD1      LEU   6 -14.375  -1.544 -15.064
   55   1HD2  LEU   6          1HD2      LEU   6 -16.364   0.099 -14.973
   56   2HD2  LEU   6          2HD2      LEU   6 -16.469  -0.143 -16.715
   57   3HD2  LEU   6          3HD2      LEU   6 -16.337   1.488 -16.060
   58    H    ASP   7           H        ASP   7 -13.930   2.924 -12.599
   59    HA   ASP   7           HA       ASP   7 -11.271   2.746 -11.347
   60   1HB   ASP   7          2HB       ASP   7 -12.638   5.108 -12.641
   61   2HB   ASP   7          1HB       ASP   7 -11.142   5.224 -11.721
   62    H    ILE   8           H        ILE   8 -13.701   2.038 -10.009
   63    HA   ILE   8           HA       ILE   8 -14.368   4.268  -8.293
   64    HB   ILE   8           HB       ILE   8 -15.846   2.702  -7.118
   65   1HG1  ILE   8          2HG1      ILE   8 -14.906   0.648  -9.135
   66   2HG1  ILE   8          1HG1      ILE   8 -14.420   0.680  -7.443
   67   1HG2  ILE   8          1HG2      ILE   8 -16.113   2.621 -10.121
   68   2HG2  ILE   8          2HG2      ILE   8 -16.675   3.911  -9.057
   69   3HG2  ILE   8          3HG2      ILE   8 -17.404   2.308  -8.963
   70   1HD1  ILE   8          1HD1      ILE   8 -16.751   0.363  -6.779
   71   2HD1  ILE   8          2HD1      ILE   8 -16.170  -0.948  -7.806
   72   3HD1  ILE   8          3HD1      ILE   8 -17.217   0.301  -8.478
   73    H    LEU   9           H        LEU   9 -11.763   2.334  -8.421
   74    HA   LEU   9           HA       LEU   9 -11.515   2.085  -5.506
   75   1HB   LEU   9          2HB       LEU   9 -10.070   0.595  -7.692
   76   2HB   LEU   9          1HB       LEU   9  -9.759   0.408  -5.978
   77    HG   LEU   9           HG       LEU   9 -12.347  -0.273  -7.377
   78   1HD1  LEU   9          1HD1      LEU   9 -11.740  -2.591  -6.866
   79   2HD1  LEU   9          2HD1      LEU   9 -10.194  -2.039  -6.220
   80   3HD1  LEU   9          3HD1      LEU   9 -10.563  -1.827  -7.932
   81   1HD2  LEU   9          1HD2      LEU   9 -11.508  -0.660  -4.505
   82   2HD2  LEU   9          2HD2      LEU   9 -12.999  -1.258  -5.233
   83   3HD2  LEU   9          3HD2      LEU   9 -12.722   0.479  -5.088
   84    H    VAL  10           H        VAL  10 -10.741   4.085  -5.025
   85    HA   VAL  10           HA       VAL  10  -7.960   4.566  -5.838
   86    HB   VAL  10           HB       VAL  10  -8.383   7.027  -5.635
   87   1HG1  VAL  10          1HG1      VAL  10  -8.200   5.958  -7.813
   88   2HG1  VAL  10          2HG1      VAL  10  -9.318   7.317  -7.842
   89   3HG1  VAL  10          3HG1      VAL  10  -9.940   5.666  -7.820
   90   1HG2  VAL  10          1HG2      VAL  10 -10.440   6.942  -4.339
   91   2HG2  VAL  10          2HG2      VAL  10 -11.287   6.210  -5.699
   92   3HG2  VAL  10          3HG2      VAL  10 -10.676   7.858  -5.826
   93    H    CYS  11           H        CYS  11  -6.783   5.904  -4.236
   94    HA   CYS  11           HA       CYS  11  -7.419   5.078  -1.555
   95   1HB   CYS  11          2HB       CYS  11  -5.081   5.237  -2.335
   96   2HB   CYS  11          1HB       CYS  11  -5.276   6.974  -2.551
   97    HG   CYS  11           HG       CYS  11  -4.095   7.301  -0.274
   98    HA   PRO  12           HA       PRO  12  -9.993   8.611  -0.707
   99   1HB   PRO  12          2HB       PRO  12  -9.746   7.842   2.111
  100   2HB   PRO  12          1HB       PRO  12 -11.181   7.868   1.081
  101   1HG   PRO  12          2HG       PRO  12 -10.053   5.561   1.905
  102   2HG   PRO  12          1HG       PRO  12 -10.832   5.714   0.319
  103   1HD   PRO  12          2HD       PRO  12  -7.918   5.774   1.015
  104   2HD   PRO  12          1HD       PRO  12  -8.736   4.970  -0.342
  105    H    VAL  13           H        VAL  13  -6.809   8.148   0.363
  106    HA   VAL  13           HA       VAL  13  -6.698  10.475   2.055
  107    HB   VAL  13           HB       VAL  13  -4.425   8.786   1.000
  108   1HG1  VAL  13          1HG1      VAL  13  -3.673  10.965   1.740
  109   2HG1  VAL  13          2HG1      VAL  13  -3.170   9.730   2.894
  110   3HG1  VAL  13          3HG1      VAL  13  -4.543  10.776   3.263
  111   1HG2  VAL  13          1HG2      VAL  13  -4.475   7.668   3.169
  112   2HG2  VAL  13          2HG2      VAL  13  -6.001   7.459   2.316
  113   3HG2  VAL  13          3HG2      VAL  13  -5.882   8.620   3.636
  114    H    CYS  14           H        CYS  14  -4.639   9.676  -0.794
  115    HA   CYS  14           HA       CYS  14  -4.709  12.553  -1.431
  116   1HB   CYS  14          2HB       CYS  14  -2.736  10.494  -2.430
  117   2HB   CYS  14          1HB       CYS  14  -2.602  12.245  -2.548
  118    HG   CYS  14           HG       CYS  14  -2.102  10.236   0.134
  119    H    LYS  15           H        LYS  15  -6.506  10.111  -2.297
  120    HA   LYS  15           HA       LYS  15  -7.620   9.365  -4.124
  121   1HB   LYS  15          2HB       LYS  15  -7.025  12.205  -4.928
  122   2HB   LYS  15          1HB       LYS  15  -8.047  11.141  -5.886
  123   1HG   LYS  15          2HG       LYS  15  -8.539  11.864  -3.007
  124   2HG   LYS  15          1HG       LYS  15  -9.319  12.620  -4.391
  125   1HD   LYS  15          2HD       LYS  15 -10.234  10.435  -5.051
  126   2HD   LYS  15          1HD       LYS  15  -9.473   9.703  -3.641
  127   1HE   LYS  15          2HE       LYS  15 -11.820  10.125  -3.209
  128   2HE   LYS  15          1HE       LYS  15 -10.816  11.153  -2.186
  129   1HZ   LYS  15          1HZ       LYS  15 -12.722  12.321  -3.196
  130   2HZ   LYS  15          2HZ       LYS  15 -12.060  12.043  -4.730
  131   3HZ   LYS  15          3HZ       LYS  15 -11.229  13.006  -3.609
  132    H    GLY  16           H        GLY  16  -4.971   8.565  -4.043
  133   1HA   GLY  16          2HA       GLY  16  -3.917   8.791  -6.731
  134   2HA   GLY  16          1HA       GLY  16  -3.240   7.841  -5.417
  135    H    ARG  17           H        ARG  17  -3.795   7.147  -8.236
  136    HA   ARG  17           HA       ARG  17  -5.954   5.243  -8.155
  137   1HB   ARG  17          2HB       ARG  17  -5.515   6.416 -10.228
  138   2HB   ARG  17          1HB       ARG  17  -3.853   5.847 -10.246
  139   1HG   ARG  17          2HG       ARG  17  -4.514   3.637 -10.751
  140   2HG   ARG  17          1HG       ARG  17  -6.206   3.984 -10.383
  141   1HD   ARG  17          2HD       ARG  17  -5.658   3.867 -12.828
  142   2HD   ARG  17          1HD       ARG  17  -6.429   5.362 -12.307
  143    HE   ARG  17           HE       ARG  17  -3.503   5.204 -12.631
  144   1HH1  ARG  17          1HH1      ARG  17  -6.589   6.622 -13.497
  145   2HH1  ARG  17          2HH1      ARG  17  -5.874   7.993 -14.305
  146   1HH2  ARG  17          1HH2      ARG  17  -2.558   6.983 -13.715
  147   2HH2  ARG  17          2HH2      ARG  17  -3.586   8.174 -14.459
  148    H    LEU  18           H        LEU  18  -5.764   3.002  -8.192
  149    HA   LEU  18           HA       LEU  18  -3.358   2.058  -6.814
  150   1HB   LEU  18          2HB       LEU  18  -6.054   0.725  -7.097
  151   2HB   LEU  18          1HB       LEU  18  -4.741   0.216  -6.054
  152    HG   LEU  18           HG       LEU  18  -6.257   2.808  -5.763
  153   1HD1  LEU  18          1HD1      LEU  18  -7.273   1.770  -3.805
  154   2HD1  LEU  18          2HD1      LEU  18  -6.448   0.256  -4.169
  155   3HD1  LEU  18          3HD1      LEU  18  -7.672   0.880  -5.274
  156   1HD2  LEU  18          1HD2      LEU  18  -3.968   2.928  -4.942
  157   2HD2  LEU  18          2HD2      LEU  18  -4.232   1.477  -3.975
  158   3HD2  LEU  18          3HD2      LEU  18  -5.123   2.955  -3.610
  159    H    GLU  19           H        GLU  19  -2.404   0.042  -7.356
  160    HA   GLU  19           HA       GLU  19  -3.002  -0.962 -10.066
  161   1HB   GLU  19          2HB       GLU  19  -0.388  -0.806  -8.570
  162   2HB   GLU  19          1HB       GLU  19  -0.614  -1.844  -9.963
  163   1HG   GLU  19          2HG       GLU  19  -1.288   0.253 -11.224
  164   2HG   GLU  19          1HG       GLU  19  -0.644   1.145  -9.842
  165    H    PHE  20           H        PHE  20  -3.520  -3.091 -10.223
  166    HA   PHE  20           HA       PHE  20  -3.538  -4.652  -7.752
  167   1HB   PHE  20          2HB       PHE  20  -5.589  -4.555  -9.163
  168   2HB   PHE  20          1HB       PHE  20  -4.699  -5.329 -10.470
  169    HD1  PHE  20           1HD      PHE  20  -5.727  -5.828  -6.939
  170    HD2  PHE  20           2HD      PHE  20  -4.668  -7.637 -10.641
  171    HE1  PHE  20           1HE      PHE  20  -6.346  -8.032  -6.037
  172    HE2  PHE  20           2HE      PHE  20  -5.284  -9.840  -9.747
  173    HZ   PHE  20           HZ       PHE  20  -6.125 -10.042  -7.446
  174    H    GLN  21           H        GLN  21  -1.728  -5.754  -7.327
  175    HA   GLN  21           HA       GLN  21  -0.113  -6.678  -9.578
  176   1HB   GLN  21          2HB       GLN  21   0.581  -6.356  -6.656
  177   2HB   GLN  21          1HB       GLN  21   1.680  -6.944  -7.891
  178   1HG   GLN  21          2HG       GLN  21   1.374  -4.783  -9.097
  179   2HG   GLN  21          1HG       GLN  21   0.452  -4.206  -7.711
  180   1HE2  GLN  21          1HE2      GLN  21   2.953  -3.211  -8.834
  181   2HE2  GLN  21          2HE2      GLN  21   4.107  -3.280  -7.550
  182    H    ARG  22           H        ARG  22   1.077  -8.770  -9.195
  183    HA   ARG  22           HA       ARG  22  -0.941 -10.753  -8.381
  184   1HB   ARG  22          2HB       ARG  22   1.313 -10.946 -10.386
  185   2HB   ARG  22          1HB       ARG  22   0.232 -12.268  -9.965
  186   1HG   ARG  22          2HG       ARG  22  -0.616  -9.648 -11.182
  187   2HG   ARG  22          1HG       ARG  22  -0.412 -11.169 -12.055
  188   1HD   ARG  22          2HD       ARG  22  -2.168 -12.199 -10.770
  189   2HD   ARG  22          1HD       ARG  22  -2.302 -10.773  -9.741
  190    HE   ARG  22           HE       ARG  22  -2.836  -9.702 -12.110
  191   1HH1  ARG  22          1HH1      ARG  22  -3.956 -12.720 -10.719
  192   2HH1  ARG  22          2HH1      ARG  22  -5.499 -12.659 -11.523
  193   1HH2  ARG  22          1HH2      ARG  22  -4.868  -9.617 -13.153
  194   2HH2  ARG  22          2HH2      ARG  22  -6.022 -10.893 -12.899
  195    H    ALA  23           H        ALA  23   0.964  -9.537  -6.516
  196    HA   ALA  23           HA       ALA  23   2.666 -11.864  -5.922
  197   1HB   ALA  23          1HB       ALA  23   3.844  -9.731  -6.111
  198   2HB   ALA  23          2HB       ALA  23   3.946 -10.374  -4.474
  199   3HB   ALA  23          3HB       ALA  23   2.835  -9.056  -4.836
  200    H    GLN  24           H        GLN  24   1.330  -9.402  -3.753
  201    HA   GLN  24           HA       GLN  24   0.334 -11.558  -2.015
  202   1HB   GLN  24          2HB       GLN  24   0.960  -8.642  -1.538
  203   2HB   GLN  24          1HB       GLN  24   0.051  -9.596  -0.382
  204   1HG   GLN  24          2HG       GLN  24   2.381  -9.413   0.258
  205   2HG   GLN  24          1HG       GLN  24   1.941 -11.082  -0.077
  206   1HE2  GLN  24          1HE2      GLN  24   3.668  -8.284  -1.300
  207   2HE2  GLN  24          2HE2      GLN  24   4.696  -9.159  -2.377
  208    H    ALA  25           H        ALA  25  -0.871 -10.167  -4.526
  209    HA   ALA  25           HA       ALA  25  -2.874  -9.418  -5.304
  210   1HB   ALA  25          1HB       ALA  25  -3.989 -10.508  -2.715
  211   2HB   ALA  25          2HB       ALA  25  -3.767 -11.435  -4.202
  212   3HB   ALA  25          3HB       ALA  25  -4.914 -10.091  -4.162
  213    H    GLU  26           H        GLU  26  -1.417  -7.494  -4.558
  214    HA   GLU  26           HA       GLU  26  -2.805  -5.884  -2.529
  215   1HB   GLU  26          2HB       GLU  26  -0.683  -4.617  -2.373
  216   2HB   GLU  26          1HB       GLU  26  -0.494  -6.316  -1.973
  217   1HG   GLU  26          2HG       GLU  26   0.119  -5.270  -4.717
  218   2HG   GLU  26          1HG       GLU  26   1.302  -5.200  -3.414
  219    H    LEU  27           H        LEU  27  -3.308  -3.767  -2.901
  220    HA   LEU  27           HA       LEU  27  -3.197  -2.833  -5.683
  221   1HB   LEU  27          2HB       LEU  27  -4.829  -1.757  -3.384
  222   2HB   LEU  27          1HB       LEU  27  -4.915  -1.229  -5.048
  223    HG   LEU  27           HG       LEU  27  -5.665  -3.997  -4.110
  224   1HD1  LEU  27          1HD1      LEU  27  -7.184  -2.296  -3.213
  225   2HD1  LEU  27          2HD1      LEU  27  -7.973  -3.296  -4.433
  226   3HD1  LEU  27          3HD1      LEU  27  -7.434  -1.665  -4.841
  227   1HD2  LEU  27          1HD2      LEU  27  -6.668  -4.185  -6.338
  228   2HD2  LEU  27          2HD2      LEU  27  -4.925  -3.926  -6.423
  229   3HD2  LEU  27          3HD2      LEU  27  -6.033  -2.592  -6.753
  230    H    VAL  28           H        VAL  28  -1.317  -1.801  -5.950
  231    HA   VAL  28           HA       VAL  28  -0.198  -0.233  -3.761
  232    HB   VAL  28           HB       VAL  28   0.978  -0.876  -6.473
  233   1HG1  VAL  28          1HG1      VAL  28   2.239   0.366  -4.031
  234   2HG1  VAL  28          2HG1      VAL  28   1.907   1.175  -5.563
  235   3HG1  VAL  28          3HG1      VAL  28   3.099  -0.125  -5.490
  236   1HG2  VAL  28          1HG2      VAL  28   2.370  -2.470  -5.258
  237   2HG2  VAL  28          2HG2      VAL  28   0.658  -2.856  -5.093
  238   3HG2  VAL  28          3HG2      VAL  28   1.518  -2.080  -3.764
  239    H    CYS  29           H        CYS  29  -0.583   1.863  -3.584
  240    HA   CYS  29           HA       CYS  29  -1.453   3.383  -5.920
  241   1HB   CYS  29          2HB       CYS  29  -2.701   3.692  -3.817
  242   2HB   CYS  29          1HB       CYS  29  -1.221   4.215  -3.016
  243    HG   CYS  29           HG       CYS  29  -2.618   6.535  -3.411
  244    H    ASN  30           H        ASN  30  -0.009   4.433  -7.106
  245    HA   ASN  30           HA       ASN  30   2.711   4.693  -6.183
  246   1HB   ASN  30          2HB       ASN  30   1.347   5.368  -8.790
  247   2HB   ASN  30          1HB       ASN  30   3.044   5.719  -8.489
  248   1HD2  ASN  30          1HD2      ASN  30   0.688   3.218  -9.046
  249   2HD2  ASN  30          2HD2      ASN  30   1.821   1.938  -9.337
  250    H    ALA  31           H        ALA  31   0.087   6.490  -5.592
  251    HA   ALA  31           HA       ALA  31   1.513   9.055  -5.721
  252   1HB   ALA  31          1HB       ALA  31  -0.719   9.034  -6.731
  253   2HB   ALA  31          2HB       ALA  31  -0.646  10.107  -5.335
  254   3HB   ALA  31          3HB       ALA  31  -1.408   8.523  -5.189
  255    H    ASP  32           H        ASP  32  -0.548   7.184  -3.510
  256    HA   ASP  32           HA       ASP  32   0.261   8.702  -1.209
  257   1HB   ASP  32          2HB       ASP  32  -1.269   6.099  -1.427
  258   2HB   ASP  32          1HB       ASP  32  -1.058   7.018   0.055
  259    H    ARG  33           H        ARG  33   1.583   6.137  -2.947
  260    HA   ARG  33           HA       ARG  33   3.199   4.594  -2.631
  261   1HB   ARG  33          2HB       ARG  33   3.904   6.369  -0.289
  262   2HB   ARG  33          1HB       ARG  33   4.892   5.017  -0.833
  263   1HG   ARG  33          2HG       ARG  33   4.782   6.241  -3.139
  264   2HG   ARG  33          1HG       ARG  33   4.388   7.647  -2.149
  265   1HD   ARG  33          2HD       ARG  33   6.789   5.902  -1.670
  266   2HD   ARG  33          1HD       ARG  33   6.828   7.322  -2.709
  267    HE   ARG  33           HE       ARG  33   5.911   7.721   0.027
  268   1HH1  ARG  33          1HH1      ARG  33   8.550   7.905  -2.285
  269   2HH1  ARG  33          2HH1      ARG  33   9.486   9.019  -1.326
  270   1HH2  ARG  33          1HH2      ARG  33   7.160   9.197   1.303
  271   2HH2  ARG  33          2HH2      ARG  33   8.685   9.772   0.680
  272    H    LEU  34           H        LEU  34   0.628   4.109  -1.642
  273    HA   LEU  34           HA       LEU  34   1.108   2.534   0.800
  274   1HB   LEU  34          2HB       LEU  34  -1.324   3.919  -0.275
  275   2HB   LEU  34          1HB       LEU  34  -1.493   2.579   0.842
  276    HG   LEU  34           HG       LEU  34   0.126   5.041   1.475
  277   1HD1  LEU  34          1HD1      LEU  34  -2.746   4.437   2.183
  278   2HD1  LEU  34          2HD1      LEU  34  -2.196   5.697   1.082
  279   3HD1  LEU  34          3HD1      LEU  34  -1.795   5.790   2.798
  280   1HD2  LEU  34          1HD2      LEU  34  -1.064   2.905   3.237
  281   2HD2  LEU  34          2HD2      LEU  34  -0.064   4.261   3.756
  282   3HD2  LEU  34          3HD2      LEU  34   0.625   2.990   2.747
  283    H    ALA  35           H        ALA  35   0.682   0.397   0.805
  284    HA   ALA  35           HA       ALA  35  -0.346  -0.784  -1.690
  285   1HB   ALA  35          1HB       ALA  35   1.979  -1.393  -1.212
  286   2HB   ALA  35          2HB       ALA  35   0.913  -2.795  -1.138
  287   3HB   ALA  35          3HB       ALA  35   1.487  -2.044   0.351
  288    H    PHE  36           H        PHE  36  -2.430  -1.250  -1.423
  289    HA   PHE  36           HA       PHE  36  -3.410  -2.051   1.216
  290   1HB   PHE  36          2HB       PHE  36  -4.965  -1.405  -1.302
  291   2HB   PHE  36          1HB       PHE  36  -5.641  -1.659   0.301
  292    HD1  PHE  36           2HD      PHE  36  -4.959  -0.032   2.146
  293    HD2  PHE  36           1HD      PHE  36  -4.311   0.716  -1.992
  294    HE1  PHE  36           2HE      PHE  36  -4.741   2.369   2.621
  295    HE2  PHE  36           1HE      PHE  36  -4.092   3.123  -1.523
  296    HZ   PHE  36           HZ       PHE  36  -4.306   3.950   0.789
  297    HA   PRO  37           HA       PRO  37  -3.245  -6.259  -0.384
  298   1HB   PRO  37          2HB       PRO  37  -4.003  -7.031   2.328
  299   2HB   PRO  37          1HB       PRO  37  -2.507  -7.371   1.453
  300   1HG   PRO  37          2HG       PRO  37  -2.610  -5.677   3.563
  301   2HG   PRO  37          1HG       PRO  37  -1.469  -5.467   2.224
  302   1HD   PRO  37          2HD       PRO  37  -4.066  -4.061   2.739
  303   2HD   PRO  37          1HD       PRO  37  -2.518  -3.398   2.164
  304    H    VAL  38           H        VAL  38  -4.917  -7.158  -1.434
  305    HA   VAL  38           HA       VAL  38  -7.640  -6.641  -0.612
  306    HB   VAL  38           HB       VAL  38  -6.614  -8.434  -2.823
  307   1HG1  VAL  38          1HG1      VAL  38  -8.877  -8.261  -3.735
  308   2HG1  VAL  38          2HG1      VAL  38  -9.373  -7.311  -2.335
  309   3HG1  VAL  38          3HG1      VAL  38  -8.890  -8.995  -2.131
  310   1HG2  VAL  38          1HG2      VAL  38  -7.173  -6.572  -4.327
  311   2HG2  VAL  38          2HG2      VAL  38  -5.919  -6.123  -3.169
  312   3HG2  VAL  38          3HG2      VAL  38  -7.577  -5.575  -2.930
  313    H    ARG  39           H        ARG  39  -8.457  -7.718   1.030
  314    HA   ARG  39           HA       ARG  39  -7.553 -10.443   1.596
  315   1HB   ARG  39          2HB       ARG  39  -7.603  -8.628   3.372
  316   2HB   ARG  39          1HB       ARG  39  -9.355  -8.690   3.277
  317   1HG   ARG  39          2HG       ARG  39  -9.306 -11.035   3.963
  318   2HG   ARG  39          1HG       ARG  39  -7.545 -10.963   4.065
  319   1HD   ARG  39          2HD       ARG  39  -7.850  -9.057   5.697
  320   2HD   ARG  39          1HD       ARG  39  -9.561  -9.475   5.734
  321    HE   ARG  39           HE       ARG  39  -7.863 -11.721   6.260
  322   1HH1  ARG  39          1HH1      ARG  39  -9.361  -8.912   7.744
  323   2HH1  ARG  39          2HH1      ARG  39  -9.284  -9.574   9.347
  324   1HH2  ARG  39          1HH2      ARG  39  -7.761 -12.578   8.347
  325   2HH2  ARG  39          2HH2      ARG  39  -8.395 -11.672   9.688
  326    H    ASP  40           H        ASP  40  -8.695 -11.237  -0.273
  327    HA   ASP  40           HA       ASP  40 -10.416 -12.126  -1.441
  328   1HB   ASP  40          2HB       ASP  40 -11.208 -12.675   1.399
  329   2HB   ASP  40          1HB       ASP  40 -12.261 -13.161   0.075
  330    H    GLY  41           H        GLY  41 -10.882  -9.984  -2.279
  331   1HA   GLY  41          2HA       GLY  41 -12.703  -8.832  -3.193
  332   2HA   GLY  41          1HA       GLY  41 -13.707  -9.431  -1.881
  333    H    VAL  42           H        VAL  42 -12.068  -8.576   0.281
  334    HA   VAL  42           HA       VAL  42 -12.675  -5.702   0.128
  335    HB   VAL  42           HB       VAL  42 -12.317  -7.416   2.598
  336   1HG1  VAL  42          1HG1      VAL  42 -13.271  -4.573   2.282
  337   2HG1  VAL  42          2HG1      VAL  42 -11.774  -5.106   3.044
  338   3HG1  VAL  42          3HG1      VAL  42 -13.328  -5.501   3.779
  339   1HG2  VAL  42          1HG2      VAL  42 -14.298  -8.070   1.350
  340   2HG2  VAL  42          2HG2      VAL  42 -14.844  -6.394   1.316
  341   3HG2  VAL  42          3HG2      VAL  42 -14.743  -7.256   2.851
  342    HA   PRO  43           HA       PRO  43  -8.188  -5.234   0.338
  343   1HB   PRO  43          2HB       PRO  43  -8.682  -2.446  -0.294
  344   2HB   PRO  43          1HB       PRO  43  -7.892  -3.680  -1.278
  345   1HG   PRO  43          2HG       PRO  43 -10.314  -2.596  -1.898
  346   2HG   PRO  43          1HG       PRO  43  -9.824  -4.234  -2.366
  347   1HD   PRO  43          2HD       PRO  43 -11.573  -3.352  -0.095
  348   2HD   PRO  43          1HD       PRO  43 -11.774  -4.732  -1.199
  349    H    ILE  44           H        ILE  44  -6.959  -4.602   2.019
  350    HA   ILE  44           HA       ILE  44  -8.210  -3.380   4.295
  351    HB   ILE  44           HB       ILE  44  -5.281  -4.005   3.887
  352   1HG1  ILE  44          2HG1      ILE  44  -6.633  -6.033   3.619
  353   2HG1  ILE  44          1HG1      ILE  44  -5.729  -6.089   5.129
  354   1HG2  ILE  44          1HG2      ILE  44  -6.877  -3.533   6.401
  355   2HG2  ILE  44          2HG2      ILE  44  -5.682  -2.441   5.702
  356   3HG2  ILE  44          3HG2      ILE  44  -5.177  -4.007   6.340
  357   1HD1  ILE  44          1HD1      ILE  44  -7.739  -5.433   6.345
  358   2HD1  ILE  44          2HD1      ILE  44  -7.975  -6.923   5.433
  359   3HD1  ILE  44          3HD1      ILE  44  -8.644  -5.404   4.831
  360    H    MET  45           H        MET  45  -8.792  -1.319   3.727
  361    HA   MET  45           HA       MET  45  -6.853   0.477   2.527
  362   1HB   MET  45          2HB       MET  45  -9.694   1.021   3.401
  363   2HB   MET  45          1HB       MET  45  -8.698   2.050   2.384
  364   1HG   MET  45          2HG       MET  45  -9.633  -0.718   1.661
  365   2HG   MET  45          1HG       MET  45 -10.368   0.787   1.114
  366   1HE   MET  45          1HE       MET  45  -7.611   2.303  -1.189
  367   2HE   MET  45          2HE       MET  45  -7.837   2.646   0.527
  368   3HE   MET  45          3HE       MET  45  -9.239   2.483  -0.528
  369    H    LEU  46           H        LEU  46  -6.995  -0.565   5.491
  370    HA   LEU  46           HA       LEU  46  -7.035   1.970   6.919
  371   1HB   LEU  46          2HB       LEU  46  -6.516  -0.843   7.891
  372   2HB   LEU  46          1HB       LEU  46  -6.615   0.572   8.919
  373    HG   LEU  46           HG       LEU  46  -8.878  -0.540   7.251
  374   1HD1  LEU  46          1HD1      LEU  46  -8.294  -1.975   9.148
  375   2HD1  LEU  46          2HD1      LEU  46  -9.855  -1.192   9.383
  376   3HD1  LEU  46          3HD1      LEU  46  -8.433  -0.594  10.234
  377   1HD2  LEU  46          1HD2      LEU  46  -9.040   1.874   7.492
  378   2HD2  LEU  46          2HD2      LEU  46  -8.817   1.732   9.236
  379   3HD2  LEU  46          3HD2      LEU  46 -10.266   1.070   8.475
  380    H    GLU  47           H        GLU  47  -5.284   3.168   7.146
  381    HA   GLU  47           HA       GLU  47  -2.772   2.506   6.095
  382   1HB   GLU  47          2HB       GLU  47  -3.485   4.616   8.139
  383   2HB   GLU  47          1HB       GLU  47  -1.964   4.535   7.264
  384   1HG   GLU  47          2HG       GLU  47  -3.127   4.884   5.167
  385   2HG   GLU  47          1HG       GLU  47  -4.674   4.915   6.010
  386    H    ALA  48           H        ALA  48  -4.141   2.062   9.255
  387    HA   ALA  48           HA       ALA  48  -1.762   1.673  10.715
  388   1HB   ALA  48          1HB       ALA  48  -3.910   2.144  11.772
  389   2HB   ALA  48          2HB       ALA  48  -3.186   0.675  12.422
  390   3HB   ALA  48          3HB       ALA  48  -4.512   0.566  11.263
  391    H    GLU  49           H        GLU  49  -3.443  -0.382   8.498
  392    HA   GLU  49           HA       GLU  49  -1.802  -2.660   9.391
  393   1HB   GLU  49          2HB       GLU  49  -4.396  -2.702   7.851
  394   2HB   GLU  49          1HB       GLU  49  -3.438  -4.118   8.253
  395   1HG   GLU  49          2HG       GLU  49  -3.735  -3.305  10.700
  396   2HG   GLU  49          1HG       GLU  49  -5.077  -2.376  10.030
  397    H    ALA  50           H        ALA  50  -2.791  -0.717   6.648
  398    HA   ALA  50           HA       ALA  50  -1.517  -2.271   4.655
  399   1HB   ALA  50          1HB       ALA  50  -1.802  -0.312   3.219
  400   2HB   ALA  50          2HB       ALA  50  -2.210   0.669   4.625
  401   3HB   ALA  50          3HB       ALA  50  -3.272  -0.648   4.133
  402    H    ARG  51           H        ARG  51   0.536  -2.296   3.954
  403    HA   ARG  51           HA       ARG  51   2.484  -0.858   5.549
  404   1HB   ARG  51          2HB       ARG  51   2.921  -3.206   5.204
  405   2HB   ARG  51          1HB       ARG  51   2.796  -3.023   3.460
  406   1HG   ARG  51          2HG       ARG  51   4.837  -1.910   3.313
  407   2HG   ARG  51          1HG       ARG  51   4.859  -1.534   5.035
  408   1HD   ARG  51          2HD       ARG  51   6.439  -3.337   4.335
  409   2HD   ARG  51          1HD       ARG  51   5.306  -3.795   5.606
  410    HE   ARG  51           HE       ARG  51   3.991  -4.863   3.731
  411   1HH1  ARG  51          1HH1      ARG  51   7.443  -4.373   3.445
  412   2HH1  ARG  51          2HH1      ARG  51   7.703  -5.843   2.543
  413   1HH2  ARG  51          1HH2      ARG  51   4.310  -6.765   2.532
  414   2HH2  ARG  51          2HH2      ARG  51   5.915  -7.211   2.020
  415    H    SER  52           H        SER  52   3.092   1.086   4.965
  416    HA   SER  52           HA       SER  52   2.798   1.948   2.221
  417   1HB   SER  52          2HB       SER  52   2.042   3.514   3.813
  418   2HB   SER  52          1HB       SER  52   3.526   3.407   4.745
  419    HG   SER  52           HG       SER  52   2.994   5.185   2.981
  420    H    LEU  53           H        LEU  53   4.400   2.813   0.984
  421    HA   LEU  53           HA       LEU  53   7.015   1.609   1.326
  422   1HB   LEU  53          2HB       LEU  53   6.013   3.505  -0.802
  423   2HB   LEU  53          1HB       LEU  53   7.516   2.606  -0.857
  424    HG   LEU  53           HG       LEU  53   4.756   1.380  -0.880
  425   1HD1  LEU  53          1HD1      LEU  53   5.238   2.597  -2.938
  426   2HD1  LEU  53          2HD1      LEU  53   5.232   0.855  -3.217
  427   3HD1  LEU  53          3HD1      LEU  53   6.762   1.725  -3.106
  428   1HD2  LEU  53          1HD2      LEU  53   5.904  -0.701  -1.383
  429   2HD2  LEU  53          2HD2      LEU  53   6.465  -0.050   0.160
  430   3HD2  LEU  53          3HD2      LEU  53   7.464   0.113  -1.284
  431    H    ASP  54           H        ASP  54   5.431   4.481   2.083
  432    HA   ASP  54           HA       ASP  54   7.683   6.250   2.149
  433   1HB   ASP  54          2HB       ASP  54   5.397   7.098   1.921
  434   2HB   ASP  54          1HB       ASP  54   4.961   6.402   3.475
  435    H    ALA  55           H        ALA  55   6.432   3.778   4.135
  436    HA   ALA  55           HA       ALA  55   8.128   4.638   6.386
  437   1HB   ALA  55          1HB       ALA  55   5.639   2.935   6.503
  438   2HB   ALA  55          2HB       ALA  55   5.721   4.646   6.918
  439   3HB   ALA  55          3HB       ALA  55   6.610   3.461   7.880
  440    H    GLU  56           H        GLU  56   8.556   2.819   3.906
  441    HA   GLU  56           HA       GLU  56   9.155   0.285   5.197
  442   1HB   GLU  56          2HB       GLU  56   9.166   1.250   2.375
  443   2HB   GLU  56          1HB       GLU  56  10.167  -0.134   2.793
  444   1HG   GLU  56          2HG       GLU  56   7.198   0.087   3.234
  445   2HG   GLU  56          1HG       GLU  56   7.989  -0.810   1.938
  446    H    ALA  57           H        ALA  57  11.020  -0.214   6.047
  447    HA   ALA  57           HA       ALA  57  13.200   1.627   6.069
  448   1HB   ALA  57          1HB       ALA  57  12.692   0.222   8.019
  449   2HB   ALA  57          2HB       ALA  57  14.335  -0.072   7.440
  450   3HB   ALA  57          3HB       ALA  57  13.050  -1.222   7.070
  451    HA   PRO  58           HA       PRO  58  15.496   0.134   2.591
  452   1HB   PRO  58          2HB       PRO  58  18.048   0.591   3.423
  453   2HB   PRO  58          1HB       PRO  58  16.959   1.877   2.892
  454   1HG   PRO  58          2HG       PRO  58  17.650   1.007   5.670
  455   2HG   PRO  58          1HG       PRO  58  17.475   2.649   5.021
  456   1HD   PRO  58          2HD       PRO  58  15.529   1.446   6.468
  457   2HD   PRO  58          1HD       PRO  58  15.175   2.600   5.167
  458    H    ALA  59           H        ALA  59  17.431  -1.335   2.087
  459    HA   ALA  59           HA       ALA  59  17.112  -3.748   3.718
  460   1HB   ALA  59          1HB       ALA  59  18.081  -4.930   1.803
  461   2HB   ALA  59          2HB       ALA  59  18.335  -3.391   0.978
  462   3HB   ALA  59          3HB       ALA  59  16.699  -3.951   1.315
  463    H    GLN  60           H        GLN  60  19.075  -1.187   3.731
  464    HA   GLN  60           HA       GLN  60  21.636  -2.522   3.946
  465   1HB   GLN  60          2HB       GLN  60  22.561  -0.328   4.301
  466   2HB   GLN  60          1HB       GLN  60  21.397  -0.224   2.986
  467   1HG   GLN  60          2HG       GLN  60  19.761   0.769   4.432
  468   2HG   GLN  60          1HG       GLN  60  20.797   0.522   5.838
  469   1HE2  GLN  60          1HE2      GLN  60  22.634   1.796   6.090
  470   2HE2  GLN  60          2HE2      GLN  60  22.837   3.299   5.248
  471    HA   PRO  61           HA       PRO  61  21.559  -3.039   8.380
  472   1HB   PRO  61          2HB       PRO  61  24.424  -2.425   8.440
  473   2HB   PRO  61          1HB       PRO  61  23.605  -3.950   8.792
  474   1HG   PRO  61          2HG       PRO  61  25.121  -3.612   6.588
  475   2HG   PRO  61          1HG       PRO  61  23.684  -4.650   6.594
  476   1HD   PRO  61          2HD       PRO  61  24.001  -1.855   5.565
  477   2HD   PRO  61          1HD       PRO  61  23.144  -3.231   4.838
  478    H    SER  62           H        SER  62  22.171  -1.871  10.405
  479    HA   SER  62           HA       SER  62  21.706   0.950  10.046
  480   1HB   SER  62          2HB       SER  62  21.790   0.929  12.601
  481   2HB   SER  62          1HB       SER  62  20.519  -0.042  11.854
  482    HG   SER  62           HG       SER  62  21.337  -1.603  13.002
  483    H    LEU  63           H        LEU  63  23.130   2.602  10.378
  484    HA   LEU  63           HA       LEU  63  25.916   1.927  10.212
  485   1HB   LEU  63          2HB       LEU  63  24.576   4.625  10.398
  486   2HB   LEU  63          1HB       LEU  63  26.267   4.356  10.022
  487    HG   LEU  63           HG       LEU  63  23.937   3.469   8.325
  488   1HD1  LEU  63          1HD1      LEU  63  24.712   5.184   6.762
  489   2HD1  LEU  63          2HD1      LEU  63  25.926   5.697   7.934
  490   3HD1  LEU  63          3HD1      LEU  63  24.212   5.880   8.304
  491   1HD2  LEU  63          1HD2      LEU  63  25.838   1.957   8.134
  492   2HD2  LEU  63          2HD2      LEU  63  26.908   3.322   7.820
  493   3HD2  LEU  63          3HD2      LEU  63  25.644   2.910   6.662
  494    H    GLU  64           H        GLU  64  23.705   2.917  12.616
  495    HA   GLU  64           HA       GLU  64  25.843   3.436  14.546
  496   1HB   GLU  64          2HB       GLU  64  22.853   3.832  14.745
  497   2HB   GLU  64          1HB       GLU  64  23.983   4.126  16.060
  498   1HG   GLU  64          2HG       GLU  64  25.098   5.826  14.701
  499   2HG   GLU  64          1HG       GLU  64  23.926   5.546  13.412
  500    H    HIS  65           H        HIS  65  26.588   1.373  14.945
  501    HA   HIS  65           HA       HIS  65  24.677  -0.573  15.953
  502   1HB   HIS  65          2HB       HIS  65  27.612  -0.747  15.304
  503   2HB   HIS  65          1HB       HIS  65  26.786  -2.019  16.205
  504    HD1  HIS  65           1HD      HIS  65  28.001  -1.980  13.116
  505    HD2  HIS  65           2HD      HIS  65  24.040  -2.129  14.395
  506    HE1  HIS  65           1HE      HIS  65  26.699  -2.974  11.204
  507    HE2  HIS  65           2HE      HIS  65  24.289  -2.917  11.945
  508    H    HIS  66           H        HIS  66  24.061   0.727  17.690
  509    HA   HIS  66           HA       HIS  66  25.922   1.321  19.811
  510   1HB   HIS  66          2HB       HIS  66  23.820   2.665  19.170
  511   2HB   HIS  66          1HB       HIS  66  22.901   1.393  19.963
  512    HD1  HIS  66           1HD      HIS  66  24.498   4.558  20.590
  513    HD2  HIS  66           2HD      HIS  66  23.667   1.146  22.828
  514    HE1  HIS  66           1HE      HIS  66  24.634   5.274  23.001
  515    HE2  HIS  66           2HE      HIS  66  23.916   3.251  24.319
  516    H    HIS  67           H        HIS  67  26.727  -0.777  20.219
  517    HA   HIS  67           HA       HIS  67  25.096  -3.022  20.640
  518   1HB   HIS  67          2HB       HIS  67  27.138  -4.082  21.612
  519   2HB   HIS  67          1HB       HIS  67  27.385  -3.370  20.025
  520    HD1  HIS  67           1HD      HIS  67  29.034  -1.404  19.850
  521    HD2  HIS  67           2HD      HIS  67  28.532  -2.838  23.717
  522    HE1  HIS  67           1HE      HIS  67  30.880  -0.365  21.201
  523    HE2  HIS  67           2HE      HIS  67  30.676  -1.421  23.480
  524    H    HIS  68           H        HIS  68  23.658  -3.247  22.159
  525    HA   HIS  68           HA       HIS  68  23.938  -1.891  24.689
  526   1HB   HIS  68          2HB       HIS  68  21.732  -2.766  25.246
  527   2HB   HIS  68          1HB       HIS  68  21.712  -2.088  23.626
  528    HD1  HIS  68           1HD      HIS  68  20.577  -4.922  25.470
  529    HD2  HIS  68           2HD      HIS  68  21.993  -4.318  21.608
  530    HE1  HIS  68           1HE      HIS  68  19.777  -6.895  24.141
  531    HE2  HIS  68           2HE      HIS  68  20.887  -6.640  21.892
  532    H    HIS  69           H        HIS  69  25.631  -2.696  25.773
  533    HA   HIS  69           HA       HIS  69  25.214  -5.081  27.261
  534   1HB   HIS  69          2HB       HIS  69  26.082  -6.041  25.114
  535   2HB   HIS  69          1HB       HIS  69  27.564  -5.120  25.355
  536    HD1  HIS  69           1HD      HIS  69  29.113  -5.876  27.341
  537    HD2  HIS  69           2HD      HIS  69  25.865  -8.361  26.599
  538    HE1  HIS  69           1HE      HIS  69  29.572  -7.991  28.623
  539    HE2  HIS  69           2HE      HIS  69  27.491  -9.383  28.329
  540    H    HIS  70           H        HIS  70  25.657  -4.111  29.137
  541    HA   HIS  70           HA       HIS  70  28.274  -2.794  29.406
  542   1HB   HIS  70          2HB       HIS  70  26.389  -1.243  29.760
  543   2HB   HIS  70          1HB       HIS  70  25.748  -2.305  31.009
  544    HD1  HIS  70           1HD      HIS  70  25.937  -0.456  32.800
  545    HD2  HIS  70           2HD      HIS  70  29.560  -1.482  31.025
  546    HE1  HIS  70           1HE      HIS  70  27.720   0.603  34.229
  547    HE2  HIS  70           2HE      HIS  70  29.908  -0.054  33.158
  Start of MODEL   19
    1   1H    MET   1          1H        MET   1 -22.961  -0.424 -18.290
    2   2H    MET   1          2H        MET   1 -23.388  -0.695 -16.678
    3   3H    MET   1          3H        MET   1 -21.894   0.017 -17.049
    4    HA   MET   1           HA       MET   1 -24.585   1.178 -17.441
    5   1HB   MET   1          2HB       MET   1 -23.696   1.236 -15.132
    6   2HB   MET   1          1HB       MET   1 -22.255   2.060 -15.718
    7   1HG   MET   1          2HG       MET   1 -23.782   3.629 -14.711
    8   2HG   MET   1          1HG       MET   1 -23.625   3.948 -16.435
    9   1HE   MET   1          1HE       MET   1 -25.799   5.504 -16.207
   10   2HE   MET   1          2HE       MET   1 -25.938   5.082 -14.501
   11   3HE   MET   1          3HE       MET   1 -27.341   4.941 -15.558
   12    H    GLU   2           H        GLU   2 -21.158   2.163 -17.451
   13    HA   GLU   2           HA       GLU   2 -21.207   2.960 -20.175
   14   1HB   GLU   2          2HB       GLU   2 -20.820   5.385 -19.806
   15   2HB   GLU   2          1HB       GLU   2 -22.449   4.864 -19.412
   16   1HG   GLU   2          2HG       GLU   2 -21.922   4.909 -17.048
   17   2HG   GLU   2          1HG       GLU   2 -20.250   5.341 -17.413
   18    H    SER   3           H        SER   3 -19.656   3.266 -17.011
   19    HA   SER   3           HA       SER   3 -17.015   3.513 -18.037
   20   1HB   SER   3          2HB       SER   3 -17.821   2.353 -15.359
   21   2HB   SER   3          1HB       SER   3 -16.301   3.147 -15.777
   22    HG   SER   3           HG       SER   3 -17.202   4.959 -15.259
   23    H    ARG   4           H        ARG   4 -16.239   1.989 -19.361
   24    HA   ARG   4           HA       ARG   4 -17.344  -0.676 -19.252
   25   1HB   ARG   4          2HB       ARG   4 -15.457   0.664 -21.182
   26   2HB   ARG   4          1HB       ARG   4 -16.001  -1.002 -21.349
   27   1HG   ARG   4          2HG       ARG   4 -18.240  -0.350 -21.681
   28   2HG   ARG   4          1HG       ARG   4 -17.922   1.298 -21.142
   29   1HD   ARG   4          2HD       ARG   4 -18.172   1.233 -23.546
   30   2HD   ARG   4          1HD       ARG   4 -16.517   1.657 -23.118
   31    HE   ARG   4           HE       ARG   4 -16.110  -0.854 -23.533
   32   1HH1  ARG   4          1HH1      ARG   4 -18.469   1.084 -25.229
   33   2HH1  ARG   4          2HH1      ARG   4 -18.295   0.228 -26.730
   34   1HH2  ARG   4          1HH2      ARG   4 -15.860  -1.998 -25.509
   35   2HH2  ARG   4          2HH2      ARG   4 -16.816  -1.528 -26.883
   36    H    LEU   5           H        LEU   5 -16.241  -0.806 -17.052
   37    HA   LEU   5           HA       LEU   5 -14.890  -2.042 -15.734
   38   1HB   LEU   5          2HB       LEU   5 -14.438  -3.323 -18.394
   39   2HB   LEU   5          1HB       LEU   5 -13.465  -3.821 -17.025
   40    HG   LEU   5           HG       LEU   5 -15.571  -4.380 -15.796
   41   1HD1  LEU   5          1HD1      LEU   5 -16.864  -3.840 -18.463
   42   2HD1  LEU   5          2HD1      LEU   5 -17.136  -2.953 -16.964
   43   3HD1  LEU   5          3HD1      LEU   5 -17.638  -4.637 -17.096
   44   1HD2  LEU   5          1HD2      LEU   5 -15.990  -6.448 -17.001
   45   2HD2  LEU   5          2HD2      LEU   5 -14.263  -6.087 -16.950
   46   3HD2  LEU   5          3HD2      LEU   5 -15.183  -5.794 -18.428
   47    H    LEU   6           H        LEU   6 -13.816   0.431 -17.224
   48    HA   LEU   6           HA       LEU   6 -10.958  -0.047 -16.960
   49   1HB   LEU   6          2HB       LEU   6 -12.516   2.416 -17.741
   50   2HB   LEU   6          1HB       LEU   6 -10.766   2.340 -17.663
   51    HG   LEU   6           HG       LEU   6 -12.533   0.756 -19.529
   52   1HD1  LEU   6          1HD1      LEU   6 -11.474   2.101 -21.272
   53   2HD1  LEU   6          2HD1      LEU   6 -10.606   3.014 -20.036
   54   3HD1  LEU   6          3HD1      LEU   6 -12.365   3.105 -20.126
   55   1HD2  LEU   6          1HD2      LEU   6 -10.600  -0.559 -18.907
   56   2HD2  LEU   6          2HD2      LEU   6  -9.532   0.804 -19.239
   57   3HD2  LEU   6          3HD2      LEU   6 -10.411   0.033 -20.559
   58    H    ASP   7           H        ASP   7 -13.476   0.642 -14.972
   59    HA   ASP   7           HA       ASP   7 -11.738   2.008 -13.036
   60   1HB   ASP   7          2HB       ASP   7 -14.713   2.449 -13.382
   61   2HB   ASP   7          1HB       ASP   7 -13.696   3.202 -12.162
   62    H    ILE   8           H        ILE   8 -11.233  -0.065 -12.155
   63    HA   ILE   8           HA       ILE   8 -13.339  -1.608 -10.931
   64    HB   ILE   8           HB       ILE   8 -11.478  -2.860  -9.832
   65   1HG1  ILE   8          2HG1      ILE   8  -9.689  -1.058 -11.483
   66   2HG1  ILE   8          1HG1      ILE   8  -9.860  -0.982  -9.733
   67   1HG2  ILE   8          1HG2      ILE   8 -11.257  -2.545 -12.823
   68   2HG2  ILE   8          2HG2      ILE   8 -12.382  -3.599 -11.963
   69   3HG2  ILE   8          3HG2      ILE   8 -10.647  -3.909 -11.887
   70   1HD1  ILE   8          1HD1      ILE   8  -7.834  -2.152 -10.381
   71   2HD1  ILE   8          2HD1      ILE   8  -8.786  -3.316 -11.299
   72   3HD1  ILE   8          3HD1      ILE   8  -8.947  -3.235  -9.546
   73    H    LEU   9           H        LEU   9 -10.890   0.678  -9.942
   74    HA   LEU   9           HA       LEU   9 -12.487   1.893  -7.986
   75   1HB   LEU   9          2HB       LEU   9 -11.550  -0.392  -6.938
   76   2HB   LEU   9          1HB       LEU   9 -10.132   0.604  -6.685
   77    HG   LEU   9           HG       LEU   9 -12.874   1.351  -5.665
   78   1HD1  LEU   9          1HD1      LEU   9 -12.121   0.575  -3.487
   79   2HD1  LEU   9          2HD1      LEU   9 -10.615  -0.002  -4.201
   80   3HD1  LEU   9          3HD1      LEU   9 -12.147  -0.750  -4.653
   81   1HD2  LEU   9          1HD2      LEU   9 -11.588   2.857  -4.200
   82   2HD2  LEU   9          2HD2      LEU   9 -11.358   3.231  -5.908
   83   3HD2  LEU   9          3HD2      LEU   9 -10.106   2.363  -5.018
   84    H    VAL  10           H        VAL  10 -11.754   3.935  -7.994
   85    HA   VAL  10           HA       VAL  10  -9.074   4.365  -9.115
   86    HB   VAL  10           HB       VAL  10  -9.916   6.571  -9.871
   87   1HG1  VAL  10          1HG1      VAL  10  -9.871   4.715 -11.419
   88   2HG1  VAL  10          2HG1      VAL  10 -11.296   5.710 -11.717
   89   3HG1  VAL  10          3HG1      VAL  10 -11.455   4.178 -10.860
   90   1HG2  VAL  10          1HG2      VAL  10 -11.711   6.876  -8.255
   91   2HG2  VAL  10          2HG2      VAL  10 -12.596   5.530  -8.970
   92   3HG2  VAL  10          3HG2      VAL  10 -12.327   7.000  -9.905
   93    H    CYS  11           H        CYS  11  -7.785   6.038  -8.342
   94    HA   CYS  11           HA       CYS  11  -7.739   6.565  -5.606
   95   1HB   CYS  11          2HB       CYS  11  -5.765   6.875  -6.980
   96   2HB   CYS  11          1HB       CYS  11  -6.567   8.140  -7.909
   97    HG   CYS  11           HG       CYS  11  -4.525   8.673  -5.626
   98    HA   PRO  12           HA       PRO  12 -11.198   9.342  -5.393
   99   1HB   PRO  12          2HB       PRO  12 -11.018   9.926  -2.753
  100   2HB   PRO  12          1HB       PRO  12 -11.615   8.373  -3.350
  101   1HG   PRO  12          2HG       PRO  12  -8.898   9.086  -2.313
  102   2HG   PRO  12          1HG       PRO  12  -9.879   7.646  -1.984
  103   1HD   PRO  12          2HD       PRO  12  -7.836   7.656  -3.767
  104   2HD   PRO  12          1HD       PRO  12  -9.270   6.627  -3.954
  105    H    VAL  13           H        VAL  13  -7.991  10.237  -5.253
  106    HA   VAL  13           HA       VAL  13  -8.608  13.029  -4.597
  107    HB   VAL  13           HB       VAL  13  -5.889  11.771  -4.990
  108   1HG1  VAL  13          1HG1      VAL  13  -5.076  13.812  -3.871
  109   2HG1  VAL  13          2HG1      VAL  13  -6.721  14.447  -3.865
  110   3HG1  VAL  13          3HG1      VAL  13  -5.891  14.164  -5.395
  111   1HG2  VAL  13          1HG2      VAL  13  -7.027  10.793  -3.060
  112   2HG2  VAL  13          2HG2      VAL  13  -7.348  12.408  -2.424
  113   3HG2  VAL  13          3HG2      VAL  13  -5.688  11.826  -2.554
  114    H    CYS  14           H        CYS  14  -6.452  11.390  -6.939
  115    HA   CYS  14           HA       CYS  14  -6.916  13.636  -8.763
  116   1HB   CYS  14          2HB       CYS  14  -4.772  11.505  -8.808
  117   2HB   CYS  14          1HB       CYS  14  -4.871  12.887  -9.895
  118    HG   CYS  14           HG       CYS  14  -3.183  14.156  -8.436
  119    H    LYS  15           H        LYS  15  -8.381  10.832  -8.306
  120    HA   LYS  15           HA       LYS  15  -9.454   9.260  -9.540
  121   1HB   LYS  15          2HB       LYS  15  -9.448  11.531 -11.533
  122   2HB   LYS  15          1HB       LYS  15 -10.406  10.066 -11.707
  123   1HG   LYS  15          2HG       LYS  15 -10.616  11.911  -9.343
  124   2HG   LYS  15          1HG       LYS  15 -11.627  12.041 -10.778
  125   1HD   LYS  15          2HD       LYS  15 -11.405   9.520  -9.150
  126   2HD   LYS  15          1HD       LYS  15 -12.619  10.761  -8.836
  127   1HE   LYS  15          2HE       LYS  15 -12.270   9.429 -11.514
  128   2HE   LYS  15          1HE       LYS  15 -13.363   8.821 -10.272
  129   1HZ   LYS  15          1HZ       LYS  15 -14.477  10.250 -11.914
  130   2HZ   LYS  15          2HZ       LYS  15 -13.494  11.550 -11.442
  131   3HZ   LYS  15          3HZ       LYS  15 -14.585  10.867 -10.337
  132    H    GLY  16           H        GLY  16  -7.571   7.940  -9.557
  133   1HA   GLY  16          2HA       GLY  16  -6.494   7.574 -12.263
  134   2HA   GLY  16          1HA       GLY  16  -5.386   7.696 -10.901
  135    H    ARG  17           H        ARG  17  -5.257   5.483 -12.408
  136    HA   ARG  17           HA       ARG  17  -7.018   3.386 -11.577
  137   1HB   ARG  17          2HB       ARG  17  -4.319   3.069 -12.894
  138   2HB   ARG  17          1HB       ARG  17  -5.683   1.960 -12.952
  139   1HG   ARG  17          2HG       ARG  17  -6.932   3.463 -14.331
  140   2HG   ARG  17          1HG       ARG  17  -5.711   4.724 -14.146
  141   1HD   ARG  17          2HD       ARG  17  -4.086   3.062 -15.195
  142   2HD   ARG  17          1HD       ARG  17  -5.513   2.126 -15.640
  143    HE   ARG  17           HE       ARG  17  -6.238   4.011 -16.991
  144   1HH1  ARG  17          1HH1      ARG  17  -2.931   4.069 -15.837
  145   2HH1  ARG  17          2HH1      ARG  17  -2.370   5.137 -17.093
  146   1HH2  ARG  17          1HH2      ARG  17  -5.514   5.454 -18.635
  147   2HH2  ARG  17          2HH2      ARG  17  -3.848   5.943 -18.660
  148    H    LEU  18           H        LEU  18  -6.698   1.802 -10.069
  149    HA   LEU  18           HA       LEU  18  -4.310   2.062  -8.366
  150   1HB   LEU  18          2HB       LEU  18  -6.999   0.850  -7.712
  151   2HB   LEU  18          1HB       LEU  18  -5.634   0.933  -6.615
  152    HG   LEU  18           HG       LEU  18  -7.208   3.260  -7.709
  153   1HD1  LEU  18          1HD1      LEU  18  -6.939   2.155  -4.920
  154   2HD1  LEU  18          2HD1      LEU  18  -8.356   2.023  -5.965
  155   3HD1  LEU  18          3HD1      LEU  18  -7.838   3.604  -5.379
  156   1HD2  LEU  18          1HD2      LEU  18  -4.836   3.825  -7.515
  157   2HD2  LEU  18          2HD2      LEU  18  -4.843   3.276  -5.838
  158   3HD2  LEU  18          3HD2      LEU  18  -5.807   4.676  -6.314
  159    H    GLU  19           H        GLU  19  -3.418   0.048  -7.487
  160    HA   GLU  19           HA       GLU  19  -3.672  -2.121  -9.458
  161   1HB   GLU  19          2HB       GLU  19  -1.248  -1.135  -7.962
  162   2HB   GLU  19          1HB       GLU  19  -1.284  -2.628  -8.883
  163   1HG   GLU  19          2HG       GLU  19  -1.817   0.100 -10.015
  164   2HG   GLU  19          1HG       GLU  19  -0.275  -0.748 -10.107
  165    H    PHE  20           H        PHE  20  -4.715  -3.758  -8.593
  166    HA   PHE  20           HA       PHE  20  -4.668  -4.269  -5.752
  167   1HB   PHE  20          2HB       PHE  20  -6.745  -4.643  -6.984
  168   2HB   PHE  20          1HB       PHE  20  -5.946  -5.824  -8.016
  169    HD1  PHE  20           1HD      PHE  20  -6.680  -5.164  -4.421
  170    HD2  PHE  20           2HD      PHE  20  -6.096  -8.061  -7.482
  171    HE1  PHE  20           1HE      PHE  20  -7.289  -6.946  -2.842
  172    HE2  PHE  20           2HE      PHE  20  -6.707  -9.852  -5.907
  173    HZ   PHE  20           HZ       PHE  20  -7.303  -9.294  -3.583
  174    H    GLN  21           H        GLN  21  -2.885  -5.140  -4.921
  175    HA   GLN  21           HA       GLN  21  -1.412  -7.119  -6.487
  176   1HB   GLN  21          2HB       GLN  21  -0.655  -5.670  -3.941
  177   2HB   GLN  21          1HB       GLN  21   0.366  -6.789  -4.828
  178   1HG   GLN  21          2HG       GLN  21  -0.683  -4.195  -5.902
  179   2HG   GLN  21          1HG       GLN  21   0.945  -4.471  -5.283
  180   1HE2  GLN  21          1HE2      GLN  21   0.013  -3.672  -7.932
  181   2HE2  GLN  21          2HE2      GLN  21   0.647  -4.841  -9.032
  182    H    ARG  22           H        ARG  22  -0.759  -9.108  -5.535
  183    HA   ARG  22           HA       ARG  22  -2.785 -10.088  -3.643
  184   1HB   ARG  22          2HB       ARG  22  -1.078 -11.637  -5.609
  185   2HB   ARG  22          1HB       ARG  22  -2.343 -12.312  -4.590
  186   1HG   ARG  22          2HG       ARG  22  -4.023 -11.038  -5.758
  187   2HG   ARG  22          1HG       ARG  22  -2.784 -10.229  -6.719
  188   1HD   ARG  22          2HD       ARG  22  -2.133 -12.434  -7.645
  189   2HD   ARG  22          1HD       ARG  22  -3.467 -13.166  -6.752
  190    HE   ARG  22           HE       ARG  22  -4.539 -11.100  -8.272
  191   1HH1  ARG  22          1HH1      ARG  22  -2.877 -14.127  -8.849
  192   2HH1  ARG  22          2HH1      ARG  22  -3.666 -14.422 -10.367
  193   1HH2  ARG  22          1HH2      ARG  22  -5.600 -11.498 -10.265
  194   2HH2  ARG  22          2HH2      ARG  22  -5.220 -12.939 -11.168
  195    H    ALA  23           H        ALA  23  -0.167  -8.735  -3.042
  196    HA   ALA  23           HA       ALA  23   1.533 -10.636  -1.818
  197   1HB   ALA  23          1HB       ALA  23   1.096  -7.754  -1.028
  198   2HB   ALA  23          2HB       ALA  23   2.214  -8.306  -2.272
  199   3HB   ALA  23          3HB       ALA  23   2.476  -8.760  -0.590
  200    H    GLN  24           H        GLN  24  -0.832  -8.403  -0.363
  201    HA   GLN  24           HA       GLN  24  -1.654 -10.618   1.389
  202   1HB   GLN  24          2HB       GLN  24  -1.515  -7.672   2.026
  203   2HB   GLN  24          1HB       GLN  24  -2.467  -8.801   2.978
  204   1HG   GLN  24          2HG       GLN  24  -0.584  -8.851   4.215
  205   2HG   GLN  24          1HG       GLN  24  -0.141 -10.089   3.046
  206   1HE2  GLN  24          1HE2      GLN  24   0.426  -6.877   4.168
  207   2HE2  GLN  24          2HE2      GLN  24   1.855  -6.579   3.245
  208    H    ALA  25           H        ALA  25  -2.697  -7.539  -0.030
  209    HA   ALA  25           HA       ALA  25  -4.851  -8.163  -1.508
  210   1HB   ALA  25          1HB       ALA  25  -6.841  -8.039  -0.104
  211   2HB   ALA  25          2HB       ALA  25  -5.839  -7.902   1.340
  212   3HB   ALA  25          3HB       ALA  25  -5.828  -9.392   0.396
  213    H    GLU  26           H        GLU  26  -3.068  -6.096  -1.449
  214    HA   GLU  26           HA       GLU  26  -4.629  -3.793  -0.483
  215   1HB   GLU  26          2HB       GLU  26  -2.424  -2.573  -0.425
  216   2HB   GLU  26          1HB       GLU  26  -2.622  -3.851   0.765
  217   1HG   GLU  26          2HG       GLU  26  -1.268  -4.432  -1.829
  218   2HG   GLU  26          1HG       GLU  26  -0.394  -3.608  -0.539
  219    H    LEU  27           H        LEU  27  -4.751  -1.926  -1.683
  220    HA   LEU  27           HA       LEU  27  -4.268  -2.210  -4.559
  221   1HB   LEU  27          2HB       LEU  27  -5.762  -0.047  -3.072
  222   2HB   LEU  27          1HB       LEU  27  -5.730  -0.280  -4.804
  223    HG   LEU  27           HG       LEU  27  -6.909  -2.275  -2.872
  224   1HD1  LEU  27          1HD1      LEU  27  -8.146  -0.164  -2.809
  225   2HD1  LEU  27          2HD1      LEU  27  -9.084  -1.447  -3.576
  226   3HD1  LEU  27          3HD1      LEU  27  -8.308  -0.210  -4.566
  227   1HD2  LEU  27          1HD2      LEU  27  -7.943  -3.199  -4.890
  228   2HD2  LEU  27          2HD2      LEU  27  -6.184  -3.240  -4.985
  229   3HD2  LEU  27          3HD2      LEU  27  -7.085  -2.012  -5.871
  230    H    VAL  28           H        VAL  28  -2.214  -1.648  -5.010
  231    HA   VAL  28           HA       VAL  28  -0.847   0.407  -3.531
  232    HB   VAL  28           HB       VAL  28   0.044  -1.137  -5.973
  233   1HG1  VAL  28          1HG1      VAL  28   2.310  -0.405  -5.352
  234   2HG1  VAL  28          2HG1      VAL  28   1.625   0.597  -4.073
  235   3HG1  VAL  28          3HG1      VAL  28   1.267   0.959  -5.761
  236   1HG2  VAL  28          1HG2      VAL  28  -0.369  -2.572  -4.043
  237   2HG2  VAL  28          2HG2      VAL  28   0.667  -1.547  -3.050
  238   3HG2  VAL  28          3HG2      VAL  28   1.356  -2.458  -4.392
  239    H    CYS  29           H        CYS  29  -0.548   2.448  -4.058
  240    HA   CYS  29           HA       CYS  29  -1.634   3.432  -6.608
  241   1HB   CYS  29          2HB       CYS  29  -0.956   5.056  -4.150
  242   2HB   CYS  29          1HB       CYS  29  -1.917   5.557  -5.539
  243    HG   CYS  29           HG       CYS  29  -3.168   2.875  -4.006
  244    H    ASN  30           H        ASN  30  -0.088   3.658  -8.109
  245    HA   ASN  30           HA       ASN  30   2.686   3.823  -7.366
  246   1HB   ASN  30          2HB       ASN  30   1.330   3.909 -10.065
  247   2HB   ASN  30          1HB       ASN  30   3.075   3.889  -9.833
  248   1HD2  ASN  30          1HD2      ASN  30   0.130   2.045  -9.630
  249   2HD2  ASN  30          2HD2      ASN  30   0.886   0.498  -9.444
  250    H    ALA  31           H        ALA  31   0.658   6.139  -6.971
  251    HA   ALA  31           HA       ALA  31   2.062   8.266  -8.387
  252   1HB   ALA  31          1HB       ALA  31  -0.370   8.331  -8.346
  253   2HB   ALA  31          2HB       ALA  31   0.307   9.728  -7.505
  254   3HB   ALA  31          3HB       ALA  31  -0.350   8.373  -6.584
  255    H    ASP  32           H        ASP  32   1.375   7.216  -5.067
  256    HA   ASP  32           HA       ASP  32   3.531   9.005  -4.158
  257   1HB   ASP  32          2HB       ASP  32   0.847   8.529  -2.868
  258   2HB   ASP  32          1HB       ASP  32   2.205   9.260  -2.021
  259    H    ARG  33           H        ARG  33   2.984   5.962  -4.673
  260    HA   ARG  33           HA       ARG  33   3.755   3.981  -3.899
  261   1HB   ARG  33          2HB       ARG  33   5.486   5.726  -2.140
  262   2HB   ARG  33          1HB       ARG  33   5.700   3.995  -2.372
  263   1HG   ARG  33          2HG       ARG  33   5.815   4.627  -4.895
  264   2HG   ARG  33          1HG       ARG  33   6.183   6.236  -4.274
  265   1HD   ARG  33          2HD       ARG  33   7.677   3.703  -3.635
  266   2HD   ARG  33          1HD       ARG  33   8.215   4.967  -4.738
  267    HE   ARG  33           HE       ARG  33   7.870   5.360  -1.825
  268   1HH1  ARG  33          1HH1      ARG  33   9.520   6.016  -4.843
  269   2HH1  ARG  33          2HH1      ARG  33  10.738   7.008  -4.105
  270   1HH2  ARG  33          1HH2      ARG  33   9.488   6.629  -0.843
  271   2HH2  ARG  33          2HH2      ARG  33  10.724   7.365  -1.827
  272    H    LEU  34           H        LEU  34   1.374   4.891  -2.799
  273    HA   LEU  34           HA       LEU  34   1.505   3.819  -0.061
  274   1HB   LEU  34          2HB       LEU  34  -0.610   5.533  -1.375
  275   2HB   LEU  34          1HB       LEU  34  -0.743   4.850   0.235
  276    HG   LEU  34           HG       LEU  34   1.371   6.817  -0.626
  277   1HD1  LEU  34          1HD1      LEU  34   0.134   8.419   0.763
  278   2HD1  LEU  34          2HD1      LEU  34  -1.134   7.215   0.996
  279   3HD1  LEU  34          3HD1      LEU  34  -0.816   7.861  -0.614
  280   1HD2  LEU  34          1HD2      LEU  34   1.843   6.989   1.766
  281   2HD2  LEU  34          2HD2      LEU  34   2.106   5.347   1.173
  282   3HD2  LEU  34          3HD2      LEU  34   0.648   5.732   2.090
  283    H    ALA  35           H        ALA  35  -0.580   2.612   0.525
  284    HA   ALA  35           HA       ALA  35  -1.809   1.198  -1.685
  285   1HB   ALA  35          1HB       ALA  35   0.246  -0.082  -1.308
  286   2HB   ALA  35          2HB       ALA  35  -1.188  -1.021  -0.902
  287   3HB   ALA  35          3HB       ALA  35  -0.209  -0.310   0.378
  288    H    PHE  36           H        PHE  36  -3.856   0.820  -1.247
  289    HA   PHE  36           HA       PHE  36  -4.820   1.140   1.494
  290   1HB   PHE  36          2HB       PHE  36  -6.273   0.980  -1.160
  291   2HB   PHE  36          1HB       PHE  36  -7.081   1.125   0.396
  292    HD1  PHE  36           2HD      PHE  36  -6.596   3.168   1.811
  293    HD2  PHE  36           1HD      PHE  36  -5.480   2.867  -2.282
  294    HE1  PHE  36           2HE      PHE  36  -6.382   5.618   1.695
  295    HE2  PHE  36           1HE      PHE  36  -5.262   5.312  -2.408
  296    HZ   PHE  36           HZ       PHE  36  -5.711   6.693  -0.421
  297    HA   PRO  37           HA       PRO  37  -4.862  -3.354   1.575
  298   1HB   PRO  37          2HB       PRO  37  -5.318  -3.151   4.417
  299   2HB   PRO  37          1HB       PRO  37  -3.850  -3.647   3.574
  300   1HG   PRO  37          2HG       PRO  37  -4.076  -1.331   5.024
  301   2HG   PRO  37          1HG       PRO  37  -2.931  -1.561   3.692
  302   1HD   PRO  37          2HD       PRO  37  -5.582  -0.167   3.697
  303   2HD   PRO  37          1HD       PRO  37  -4.067   0.292   2.888
  304    H    VAL  38           H        VAL  38  -6.607  -4.529   1.104
  305    HA   VAL  38           HA       VAL  38  -9.225  -3.684   2.080
  306    HB   VAL  38           HB       VAL  38  -8.554  -5.944   0.183
  307   1HG1  VAL  38          1HG1      VAL  38 -10.914  -5.769  -0.471
  308   2HG1  VAL  38          2HG1      VAL  38 -11.157  -4.549   0.780
  309   3HG1  VAL  38          3HG1      VAL  38 -10.723  -6.197   1.228
  310   1HG2  VAL  38          1HG2      VAL  38  -7.794  -3.833  -0.745
  311   2HG2  VAL  38          2HG2      VAL  38  -9.370  -3.107  -0.434
  312   3HG2  VAL  38          3HG2      VAL  38  -9.218  -4.406  -1.616
  313    H    ARG  39           H        ARG  39  -9.355  -4.288   4.205
  314    HA   ARG  39           HA       ARG  39  -8.524  -6.991   4.938
  315   1HB   ARG  39          2HB       ARG  39  -7.832  -5.003   6.322
  316   2HB   ARG  39          1HB       ARG  39  -9.523  -4.795   6.760
  317   1HG   ARG  39          2HG       ARG  39  -9.541  -7.000   7.794
  318   2HG   ARG  39          1HG       ARG  39  -7.857  -7.240   7.330
  319   1HD   ARG  39          2HD       ARG  39  -7.268  -5.241   8.694
  320   2HD   ARG  39          1HD       ARG  39  -8.943  -5.182   9.243
  321    HE   ARG  39           HE       ARG  39  -8.181  -7.728   9.818
  322   1HH1  ARG  39          1HH1      ARG  39  -6.917  -4.553  10.625
  323   2HH1  ARG  39          2HH1      ARG  39  -6.175  -5.089  12.111
  324   1HH2  ARG  39          1HH2      ARG  39  -7.204  -8.437  11.758
  325   2HH2  ARG  39          2HH2      ARG  39  -6.332  -7.303  12.751
  326    H    ASP  40           H        ASP  40  -9.958  -8.547   4.796
  327    HA   ASP  40           HA       ASP  40 -11.845  -9.779   5.030
  328   1HB   ASP  40          2HB       ASP  40 -12.636  -7.492   6.841
  329   2HB   ASP  40          1HB       ASP  40 -13.629  -8.929   6.618
  330    H    GLY  41           H        GLY  41 -11.615  -7.294   3.137
  331   1HA   GLY  41          2HA       GLY  41 -13.045  -7.139   1.192
  332   2HA   GLY  41          1HA       GLY  41 -14.421  -7.445   2.243
  333    H    VAL  42           H        VAL  42 -12.645  -5.483   4.056
  334    HA   VAL  42           HA       VAL  42 -13.978  -3.082   3.004
  335    HB   VAL  42           HB       VAL  42 -12.888  -3.565   5.787
  336   1HG1  VAL  42          1HG1      VAL  42 -14.120  -1.532   6.373
  337   2HG1  VAL  42          2HG1      VAL  42 -14.546  -1.311   4.676
  338   3HG1  VAL  42          3HG1      VAL  42 -12.860  -1.222   5.182
  339   1HG2  VAL  42          1HG2      VAL  42 -14.800  -5.000   5.371
  340   2HG2  VAL  42          2HG2      VAL  42 -15.731  -3.624   4.776
  341   3HG2  VAL  42          3HG2      VAL  42 -15.255  -3.698   6.474
  342    HA   PRO  43           HA       PRO  43  -9.750  -1.886   1.907
  343   1HB   PRO  43          2HB       PRO  43 -11.092   0.455   0.750
  344   2HB   PRO  43          1HB       PRO  43 -10.098  -0.768  -0.045
  345   1HG   PRO  43          2HG       PRO  43 -12.760  -0.614  -0.432
  346   2HG   PRO  43          1HG       PRO  43 -11.883  -2.154  -0.449
  347   1HD   PRO  43          2HD       PRO  43 -13.555  -0.950   1.730
  348   2HD   PRO  43          1HD       PRO  43 -13.461  -2.638   1.182
  349    H    ILE  44           H        ILE  44  -8.637  -1.093   3.567
  350    HA   ILE  44           HA       ILE  44  -9.688   0.862   5.359
  351    HB   ILE  44           HB       ILE  44  -6.848  -0.143   5.088
  352   1HG1  ILE  44          2HG1      ILE  44  -8.391  -1.982   5.549
  353   2HG1  ILE  44          1HG1      ILE  44  -7.420  -1.637   6.973
  354   1HG2  ILE  44          1HG2      ILE  44  -6.935   1.949   6.300
  355   2HG2  ILE  44          2HG2      ILE  44  -6.587   0.626   7.414
  356   3HG2  ILE  44          3HG2      ILE  44  -8.208   1.321   7.348
  357   1HD1  ILE  44          1HD1      ILE  44  -9.722  -2.070   7.578
  358   2HD1  ILE  44          2HD1      ILE  44 -10.256  -0.757   6.528
  359   3HD1  ILE  44          3HD1      ILE  44  -9.277  -0.405   7.952
  360    H    MET  45           H        MET  45 -10.078   2.799   4.455
  361    HA   MET  45           HA       MET  45  -8.061   4.070   2.779
  362   1HB   MET  45          2HB       MET  45 -10.838   4.966   3.578
  363   2HB   MET  45          1HB       MET  45  -9.778   5.834   2.474
  364   1HG   MET  45          2HG       MET  45  -9.812   3.918   0.952
  365   2HG   MET  45          1HG       MET  45 -10.894   3.072   2.055
  366   1HE   MET  45          1HE       MET  45 -12.025   6.917  -0.238
  367   2HE   MET  45          2HE       MET  45 -10.460   6.109  -0.376
  368   3HE   MET  45          3HE       MET  45 -10.908   6.920   1.123
  369    H    LEU  46           H        LEU  46  -8.179   3.633   5.881
  370    HA   LEU  46           HA       LEU  46  -7.974   6.296   6.933
  371   1HB   LEU  46          2HB       LEU  46  -7.094   3.657   8.113
  372   2HB   LEU  46          1HB       LEU  46  -7.168   5.180   8.979
  373    HG   LEU  46           HG       LEU  46  -9.532   3.719   7.805
  374   1HD1  LEU  46          1HD1      LEU  46 -10.140   3.307  10.135
  375   2HD1  LEU  46          2HD1      LEU  46  -8.629   4.054  10.661
  376   3HD1  LEU  46          3HD1      LEU  46  -8.597   2.561   9.720
  377   1HD2  LEU  46          1HD2      LEU  46  -9.858   6.131   7.799
  378   2HD2  LEU  46          2HD2      LEU  46  -9.400   6.211   9.502
  379   3HD2  LEU  46          3HD2      LEU  46 -10.872   5.365   9.022
  380    H    GLU  47           H        GLU  47  -6.297   7.584   6.724
  381    HA   GLU  47           HA       GLU  47  -4.033   6.964   5.230
  382   1HB   GLU  47          2HB       GLU  47  -4.997   9.234   5.677
  383   2HB   GLU  47          1HB       GLU  47  -4.304   9.156   7.289
  384   1HG   GLU  47          2HG       GLU  47  -2.063   8.968   6.280
  385   2HG   GLU  47          1HG       GLU  47  -2.794   9.158   4.686
  386    H    ALA  48           H        ALA  48  -4.526   6.994   8.721
  387    HA   ALA  48           HA       ALA  48  -1.773   6.677   9.388
  388   1HB   ALA  48          1HB       ALA  48  -4.206   6.143  11.081
  389   2HB   ALA  48          2HB       ALA  48  -3.411   7.704  10.902
  390   3HB   ALA  48          3HB       ALA  48  -2.552   6.361  11.656
  391    H    GLU  49           H        GLU  49  -4.218   4.463   8.401
  392    HA   GLU  49           HA       GLU  49  -2.585   2.223   9.391
  393   1HB   GLU  49          2HB       GLU  49  -5.572   2.389   9.024
  394   2HB   GLU  49          1HB       GLU  49  -4.715   0.871   9.272
  395   1HG   GLU  49          2HG       GLU  49  -3.809   1.826  11.394
  396   2HG   GLU  49          1HG       GLU  49  -4.890   3.200  11.164
  397    H    ALA  50           H        ALA  50  -2.854   3.845   6.728
  398    HA   ALA  50           HA       ALA  50  -3.352   1.732   4.829
  399   1HB   ALA  50          1HB       ALA  50  -3.832   4.054   4.232
  400   2HB   ALA  50          2HB       ALA  50  -2.629   3.358   3.146
  401   3HB   ALA  50          3HB       ALA  50  -2.126   4.463   4.425
  402    H    ARG  51           H        ARG  51  -1.742   0.786   3.449
  403    HA   ARG  51           HA       ARG  51   0.762   0.399   4.882
  404   1HB   ARG  51          2HB       ARG  51  -0.410  -1.600   4.073
  405   2HB   ARG  51          1HB       ARG  51  -0.295  -1.007   2.418
  406   1HG   ARG  51          2HG       ARG  51   2.174  -1.049   2.630
  407   2HG   ARG  51          1HG       ARG  51   1.986  -1.779   4.221
  408   1HD   ARG  51          2HD       ARG  51   0.921  -3.723   3.237
  409   2HD   ARG  51          1HD       ARG  51   0.996  -2.979   1.634
  410    HE   ARG  51           HE       ARG  51   3.575  -3.065   2.800
  411   1HH1  ARG  51          1HH1      ARG  51   1.207  -5.224   1.318
  412   2HH1  ARG  51          2HH1      ARG  51   2.428  -6.309   0.724
  413   1HH2  ARG  51          1HH2      ARG  51   5.133  -4.487   2.019
  414   2HH2  ARG  51          2HH2      ARG  51   4.664  -5.888   1.106
  415    H    SER  52           H        SER  52   2.206   1.976   4.502
  416    HA   SER  52           HA       SER  52   2.535   3.024   1.834
  417   1HB   SER  52          2HB       SER  52   2.762   4.650   3.517
  418   2HB   SER  52          1HB       SER  52   3.853   3.648   4.460
  419    HG   SER  52           HG       SER  52   4.467   5.467   2.658
  420    H    LEU  53           H        LEU  53   4.464   2.933   0.674
  421    HA   LEU  53           HA       LEU  53   5.842   0.381   0.964
  422   1HB   LEU  53          2HB       LEU  53   6.030   2.507  -1.175
  423   2HB   LEU  53          1HB       LEU  53   6.858   0.962  -1.223
  424    HG   LEU  53           HG       LEU  53   3.862   1.347  -1.238
  425   1HD1  LEU  53          1HD1      LEU  53   3.992   0.552  -3.537
  426   2HD1  LEU  53          2HD1      LEU  53   5.750   0.489  -3.425
  427   3HD1  LEU  53          3HD1      LEU  53   4.915   2.039  -3.324
  428   1HD2  LEU  53          1HD2      LEU  53   4.483  -0.713  -0.119
  429   2HD2  LEU  53          2HD2      LEU  53   5.532  -1.152  -1.467
  430   3HD2  LEU  53          3HD2      LEU  53   3.787  -1.060  -1.701
  431    H    ASP  54           H        ASP  54   6.218   3.489   2.039
  432    HA   ASP  54           HA       ASP  54   9.148   3.332   2.169
  433   1HB   ASP  54          2HB       ASP  54   7.173   5.578   2.550
  434   2HB   ASP  54          1HB       ASP  54   8.843   5.718   3.084
  435    H    ALA  55           H        ALA  55   6.857   2.013   3.825
  436    HA   ALA  55           HA       ALA  55   7.242   3.064   6.472
  437   1HB   ALA  55          1HB       ALA  55   5.817   0.565   5.573
  438   2HB   ALA  55          2HB       ALA  55   5.086   2.153   5.799
  439   3HB   ALA  55          3HB       ALA  55   5.742   1.280   7.184
  440    H    GLU  56           H        GLU  56   8.570   0.440   4.588
  441    HA   GLU  56           HA       GLU  56   9.754  -0.833   6.908
  442   1HB   GLU  56          2HB       GLU  56  10.635  -2.474   5.337
  443   2HB   GLU  56          1HB       GLU  56   8.923  -2.210   5.033
  444   1HG   GLU  56          2HG       GLU  56   9.515  -0.707   3.173
  445   2HG   GLU  56          1HG       GLU  56  11.218  -1.075   3.448
  446    H    ALA  57           H        ALA  57  12.015  -1.081   7.209
  447    HA   ALA  57           HA       ALA  57  13.779   0.710   5.744
  448   1HB   ALA  57          1HB       ALA  57  13.339   0.972   8.723
  449   2HB   ALA  57          2HB       ALA  57  12.843   2.136   7.493
  450   3HB   ALA  57          3HB       ALA  57  14.557   1.834   7.777
  451    HA   PRO  58           HA       PRO  58  16.843  -2.427   6.485
  452   1HB   PRO  58          2HB       PRO  58  18.709  -0.233   7.220
  453   2HB   PRO  58          1HB       PRO  58  18.876  -1.490   5.987
  454   1HG   PRO  58          2HG       PRO  58  18.335   1.033   5.300
  455   2HG   PRO  58          1HG       PRO  58  17.592  -0.328   4.440
  456   1HD   PRO  58          2HD       PRO  58  16.414   1.485   6.501
  457   2HD   PRO  58          1HD       PRO  58  15.671   0.800   5.043
  458    H    ALA  59           H        ALA  59  17.783  -3.559   8.193
  459    HA   ALA  59           HA       ALA  59  17.222  -2.428  10.855
  460   1HB   ALA  59          1HB       ALA  59  15.806  -4.323  10.283
  461   2HB   ALA  59          2HB       ALA  59  16.889  -4.719  11.618
  462   3HB   ALA  59          3HB       ALA  59  17.234  -5.315   9.995
  463    H    GLN  60           H        GLN  60  19.373  -4.815   9.284
  464    HA   GLN  60           HA       GLN  60  21.307  -4.335  11.435
  465   1HB   GLN  60          2HB       GLN  60  21.089  -6.557   9.413
  466   2HB   GLN  60          1HB       GLN  60  22.430  -6.389  10.535
  467   1HG   GLN  60          2HG       GLN  60  20.894  -6.597  12.411
  468   2HG   GLN  60          1HG       GLN  60  19.542  -6.754  11.289
  469   1HE2  GLN  60          1HE2      GLN  60  20.575  -8.602  13.329
  470   2HE2  GLN  60          2HE2      GLN  60  20.924 -10.079  12.488
  471    HA   PRO  61           HA       PRO  61  23.805  -2.209   8.357
  472   1HB   PRO  61          2HB       PRO  61  25.133  -0.656  10.062
  473   2HB   PRO  61          1HB       PRO  61  23.423  -0.362   9.721
  474   1HG   PRO  61          2HG       PRO  61  24.689  -1.634  12.102
  475   2HG   PRO  61          1HG       PRO  61  23.274  -0.570  12.015
  476   1HD   PRO  61          2HD       PRO  61  23.243  -3.375  12.174
  477   2HD   PRO  61          1HD       PRO  61  21.870  -2.335  11.751
  478    H    SER  62           H        SER  62  26.398  -1.499   8.999
  479    HA   SER  62           HA       SER  62  27.717  -4.055   8.913
  480   1HB   SER  62          2HB       SER  62  28.974  -1.304   8.944
  481   2HB   SER  62          1HB       SER  62  29.688  -2.803   8.347
  482    HG   SER  62           HG       SER  62  27.763  -2.788   6.857
  483    H    LEU  63           H        LEU  63  28.683  -5.066  10.580
  484    HA   LEU  63           HA       LEU  63  28.662  -3.801  13.182
  485   1HB   LEU  63          2HB       LEU  63  29.643  -6.537  12.360
  486   2HB   LEU  63          1HB       LEU  63  29.493  -5.964  14.009
  487    HG   LEU  63           HG       LEU  63  27.193  -6.358  12.085
  488   1HD1  LEU  63          1HD1      LEU  63  26.590  -8.224  13.526
  489   2HD1  LEU  63          2HD1      LEU  63  28.024  -7.944  14.511
  490   3HD1  LEU  63          3HD1      LEU  63  28.194  -8.463  12.835
  491   1HD2  LEU  63          1HD2      LEU  63  25.770  -5.913  14.005
  492   2HD2  LEU  63          2HD2      LEU  63  26.818  -4.530  13.689
  493   3HD2  LEU  63          3HD2      LEU  63  27.188  -5.632  15.015
  494    H    GLU  64           H        GLU  64  30.138  -2.118  12.720
  495    HA   GLU  64           HA       GLU  64  32.830  -2.636  11.931
  496   1HB   GLU  64          2HB       GLU  64  31.564  -0.195  13.188
  497   2HB   GLU  64          1HB       GLU  64  33.192  -0.254  12.529
  498   1HG   GLU  64          2HG       GLU  64  32.368  -0.613  10.325
  499   2HG   GLU  64          1HG       GLU  64  30.723  -0.832  10.919
  500    H    HIS  65           H        HIS  65  31.235  -1.890  15.008
  501    HA   HIS  65           HA       HIS  65  33.730  -2.251  16.463
  502   1HB   HIS  65          2HB       HIS  65  30.923  -1.730  17.477
  503   2HB   HIS  65          1HB       HIS  65  32.368  -1.781  18.477
  504    HD1  HIS  65           1HD      HIS  65  30.217   0.587  16.982
  505    HD2  HIS  65           2HD      HIS  65  34.353   0.277  17.353
  506    HE1  HIS  65           1HE      HIS  65  31.115   2.914  16.631
  507    HE2  HIS  65           2HE      HIS  65  33.619   2.705  16.841
  508    H    HIS  66           H        HIS  66  33.723  -4.481  15.404
  509    HA   HIS  66           HA       HIS  66  31.896  -6.389  16.587
  510   1HB   HIS  66          2HB       HIS  66  32.989  -8.052  15.125
  511   2HB   HIS  66          1HB       HIS  66  32.409  -6.654  14.231
  512    HD1  HIS  66           1HD      HIS  66  35.338  -8.734  14.692
  513    HD2  HIS  66           2HD      HIS  66  34.602  -4.810  13.543
  514    HE1  HIS  66           1HE      HIS  66  37.430  -7.964  13.537
  515    HE2  HIS  66           2HE      HIS  66  36.861  -5.679  12.645
  516    H    HIS  67           H        HIS  67  32.265  -6.853  18.605
  517    HA   HIS  67           HA       HIS  67  33.213  -7.645  20.496
  518   1HB   HIS  67          2HB       HIS  67  33.168  -9.672  19.078
  519   2HB   HIS  67          1HB       HIS  67  34.813  -9.323  18.560
  520    HD1  HIS  67           1HD      HIS  67  36.242 -11.029  19.650
  521    HD2  HIS  67           2HD      HIS  67  33.385  -9.488  22.252
  522    HE1  HIS  67           1HE      HIS  67  36.741 -12.054  21.892
  523    HE2  HIS  67           2HE      HIS  67  34.848 -11.297  23.377
  524    H    HIS  68           H        HIS  68  34.232  -5.606  20.991
  525    HA   HIS  68           HA       HIS  68  36.943  -6.124  21.739
  526   1HB   HIS  68          2HB       HIS  68  37.180  -5.126  19.419
  527   2HB   HIS  68          1HB       HIS  68  36.485  -3.643  20.068
  528    HD1  HIS  68           1HD      HIS  68  38.089  -2.033  21.106
  529    HD2  HIS  68           2HD      HIS  68  39.694  -5.859  20.748
  530    HE1  HIS  68           1HE      HIS  68  40.499  -1.831  21.802
  531    HE2  HIS  68           2HE      HIS  68  41.436  -4.169  21.647
  532    H    HIS  69           H        HIS  69  36.302  -5.928  23.806
  533    HA   HIS  69           HA       HIS  69  35.712  -4.974  25.778
  534   1HB   HIS  69          2HB       HIS  69  37.268  -3.172  25.176
  535   2HB   HIS  69          1HB       HIS  69  35.994  -2.357  24.278
  536    HD1  HIS  69           1HD      HIS  69  37.190  -3.045  27.755
  537    HD2  HIS  69           2HD      HIS  69  34.160  -0.934  25.834
  538    HE1  HIS  69           1HE      HIS  69  36.167  -1.568  29.514
  539    HE2  HIS  69           2HE      HIS  69  34.429  -0.198  28.297
  540    H    HIS  70           H        HIS  70  33.723  -5.626  26.195
  541    HA   HIS  70           HA       HIS  70  31.446  -5.194  24.681
  542   1HB   HIS  70          2HB       HIS  70  30.160  -5.985  26.594
  543   2HB   HIS  70          1HB       HIS  70  31.615  -6.949  26.389
  544    HD1  HIS  70           1HD      HIS  70  33.564  -6.495  28.160
  545    HD2  HIS  70           2HD      HIS  70  29.868  -4.805  29.044
  546    HE1  HIS  70           1HE      HIS  70  33.661  -5.882  30.597
  547    HE2  HIS  70           2HE      HIS  70  31.340  -5.069  31.153
  Start of MODEL   20
    1   1H    MET   1          1H        MET   1 -27.634   4.368 -10.245
    2   2H    MET   1          2H        MET   1 -27.537   4.655  -8.580
    3   3H    MET   1          3H        MET   1 -26.815   3.271  -9.248
    4    HA   MET   1           HA       MET   1 -26.025   6.053  -9.868
    5   1HB   MET   1          2HB       MET   1 -25.524   5.328  -7.514
    6   2HB   MET   1          1HB       MET   1 -24.555   4.020  -8.179
    7   1HG   MET   1          2HG       MET   1 -23.181   5.910  -7.488
    8   2HG   MET   1          1HG       MET   1 -23.065   5.620  -9.223
    9   1HE   MET   1          1HE       MET   1 -22.135   8.298  -7.719
   10   2HE   MET   1          2HE       MET   1 -22.722   9.535  -8.832
   11   3HE   MET   1          3HE       MET   1 -21.958   8.077  -9.462
   12    H    GLU   2           H        GLU   2 -25.407   6.000 -11.928
   13    HA   GLU   2           HA       GLU   2 -24.685   3.442 -13.081
   14   1HB   GLU   2          2HB       GLU   2 -25.307   6.110 -14.348
   15   2HB   GLU   2          1HB       GLU   2 -24.850   4.679 -15.260
   16   1HG   GLU   2          2HG       GLU   2 -27.226   4.888 -15.320
   17   2HG   GLU   2          1HG       GLU   2 -26.815   3.500 -14.316
   18    H    SER   3           H        SER   3 -22.627   3.155 -12.255
   19    HA   SER   3           HA       SER   3 -20.607   4.418 -13.949
   20   1HB   SER   3          2HB       SER   3 -20.274   3.996 -10.959
   21   2HB   SER   3          1HB       SER   3 -19.016   4.555 -12.061
   22    HG   SER   3           HG       SER   3 -21.182   6.085 -12.380
   23    H    ARG   4           H        ARG   4 -20.406   2.635 -15.209
   24    HA   ARG   4           HA       ARG   4 -20.484  -0.005 -13.987
   25   1HB   ARG   4          2HB       ARG   4 -21.743   0.634 -16.085
   26   2HB   ARG   4          1HB       ARG   4 -20.194   0.677 -16.912
   27   1HG   ARG   4          2HG       ARG   4 -19.852  -1.672 -16.496
   28   2HG   ARG   4          1HG       ARG   4 -21.323  -1.745 -15.521
   29   1HD   ARG   4          2HD       ARG   4 -22.580  -0.972 -17.554
   30   2HD   ARG   4          1HD       ARG   4 -21.094  -1.202 -18.473
   31    HE   ARG   4           HE       ARG   4 -21.299  -3.614 -17.515
   32   1HH1  ARG   4          1HH1      ARG   4 -23.919  -1.524 -18.541
   33   2HH1  ARG   4          2HH1      ARG   4 -24.959  -2.836 -19.021
   34   1HH2  ARG   4          1HH2      ARG   4 -22.669  -5.358 -18.126
   35   2HH2  ARG   4          2HH2      ARG   4 -24.244  -5.023 -18.787
   36    H    LEU   5           H        LEU   5 -18.352   1.497 -16.435
   37    HA   LEU   5           HA       LEU   5 -16.241  -0.343 -15.617
   38   1HB   LEU   5          2HB       LEU   5 -15.077   0.281 -17.627
   39   2HB   LEU   5          1HB       LEU   5 -16.734  -0.127 -18.015
   40    HG   LEU   5           HG       LEU   5 -15.813   2.730 -17.708
   41   1HD1  LEU   5          1HD1      LEU   5 -15.620   2.800 -20.142
   42   2HD1  LEU   5          2HD1      LEU   5 -15.943   1.068 -20.225
   43   3HD1  LEU   5          3HD1      LEU   5 -14.473   1.655 -19.447
   44   1HD2  LEU   5          1HD2      LEU   5 -18.229   2.337 -17.582
   45   2HD2  LEU   5          2HD2      LEU   5 -18.171   1.485 -19.125
   46   3HD2  LEU   5          3HD2      LEU   5 -17.792   3.206 -19.053
   47    H    LEU   6           H        LEU   6 -17.177   2.146 -14.160
   48    HA   LEU   6           HA       LEU   6 -14.544   3.437 -13.945
   49   1HB   LEU   6          2HB       LEU   6 -17.299   4.563 -13.510
   50   2HB   LEU   6          1HB       LEU   6 -15.881   5.326 -12.823
   51    HG   LEU   6           HG       LEU   6 -16.390   6.509 -14.800
   52   1HD1  LEU   6          1HD1      LEU   6 -14.145   4.595 -15.390
   53   2HD1  LEU   6          2HD1      LEU   6 -14.033   6.118 -14.505
   54   3HD1  LEU   6          3HD1      LEU   6 -14.438   6.123 -16.223
   55   1HD2  LEU   6          1HD2      LEU   6 -16.621   5.434 -16.998
   56   2HD2  LEU   6          2HD2      LEU   6 -17.872   4.931 -15.862
   57   3HD2  LEU   6          3HD2      LEU   6 -16.521   3.854 -16.218
   58    H    ASP   7           H        ASP   7 -13.808   1.839 -12.483
   59    HA   ASP   7           HA       ASP   7 -14.986   2.122  -9.797
   60   1HB   ASP   7          2HB       ASP   7 -14.929  -0.219 -10.818
   61   2HB   ASP   7          1HB       ASP   7 -13.177  -0.134 -10.679
   62    H    ILE   8           H        ILE   8 -13.880   3.817  -9.008
   63    HA   ILE   8           HA       ILE   8 -10.975   3.889  -9.382
   64    HB   ILE   8           HB       ILE   8 -11.145   6.271  -8.641
   65   1HG1  ILE   8          2HG1      ILE   8 -14.123   5.815  -8.960
   66   2HG1  ILE   8          1HG1      ILE   8 -13.301   6.046  -7.421
   67   1HG2  ILE   8          1HG2      ILE   8 -12.029   7.086 -10.767
   68   2HG2  ILE   8          2HG2      ILE   8 -12.771   5.513 -11.063
   69   3HG2  ILE   8          3HG2      ILE   8 -11.015   5.659 -10.997
   70   1HD1  ILE   8          1HD1      ILE   8 -14.375   8.090  -8.133
   71   2HD1  ILE   8          2HD1      ILE   8 -13.488   8.049  -9.655
   72   3HD1  ILE   8          3HD1      ILE   8 -12.623   8.289  -8.138
   73    H    LEU   9           H        LEU   9  -9.583   3.872  -7.727
   74    HA   LEU   9           HA       LEU   9 -10.598   4.083  -4.992
   75   1HB   LEU   9          2HB       LEU   9  -8.885   1.847  -6.073
   76   2HB   LEU   9          1HB       LEU   9  -9.052   2.184  -4.362
   77    HG   LEU   9           HG       LEU   9 -11.340   1.437  -6.191
   78   1HD1  LEU   9          1HD1      LEU   9  -9.866  -0.237  -4.159
   79   2HD1  LEU   9          2HD1      LEU   9  -9.753  -0.411  -5.910
   80   3HD1  LEU   9          3HD1      LEU   9 -11.280  -0.731  -5.090
   81   1HD2  LEU   9          1HD2      LEU   9 -12.009   2.803  -4.280
   82   2HD2  LEU   9          2HD2      LEU   9 -11.180   1.692  -3.189
   83   3HD2  LEU   9          3HD2      LEU   9 -12.582   1.145  -4.109
   84    H    VAL  10           H        VAL  10  -9.293   5.201  -3.665
   85    HA   VAL  10           HA       VAL  10  -6.545   5.733  -4.527
   86    HB   VAL  10           HB       VAL  10  -6.762   8.106  -3.784
   87   1HG1  VAL  10          1HG1      VAL  10  -7.896   8.907  -5.802
   88   2HG1  VAL  10          2HG1      VAL  10  -8.588   7.303  -6.050
   89   3HG1  VAL  10          3HG1      VAL  10  -6.842   7.540  -6.155
   90   1HG2  VAL  10          1HG2      VAL  10  -9.720   7.493  -3.756
   91   2HG2  VAL  10          2HG2      VAL  10  -9.001   9.095  -3.588
   92   3HG2  VAL  10          3HG2      VAL  10  -8.726   7.867  -2.351
   93    H    CYS  11           H        CYS  11  -5.114   6.313  -2.821
   94    HA   CYS  11           HA       CYS  11  -5.421   4.879  -0.451
   95   1HB   CYS  11          2HB       CYS  11  -3.231   5.504  -1.274
   96   2HB   CYS  11          1HB       CYS  11  -3.609   7.213  -1.100
   97    HG   CYS  11           HG       CYS  11  -1.861   6.744   0.918
   98    HA   PRO  12           HA       PRO  12  -8.233   7.384   1.892
   99   1HB   PRO  12          2HB       PRO  12  -7.317   6.589   4.395
  100   2HB   PRO  12          1HB       PRO  12  -8.534   5.744   3.435
  101   1HG   PRO  12          2HG       PRO  12  -5.617   5.181   3.718
  102   2HG   PRO  12          1HG       PRO  12  -6.976   4.047   3.595
  103   1HD   PRO  12          2HD       PRO  12  -5.373   4.528   1.504
  104   2HD   PRO  12          1HD       PRO  12  -7.118   4.274   1.287
  105    H    VAL  13           H        VAL  13  -4.763   7.411   2.420
  106    HA   VAL  13           HA       VAL  13  -4.887   9.801   4.051
  107    HB   VAL  13           HB       VAL  13  -2.416   8.440   2.962
  108   1HG1  VAL  13          1HG1      VAL  13  -2.821  10.357   5.258
  109   2HG1  VAL  13          2HG1      VAL  13  -2.056  10.727   3.714
  110   3HG1  VAL  13          3HG1      VAL  13  -1.295   9.587   4.824
  111   1HG2  VAL  13          1HG2      VAL  13  -3.745   6.861   4.284
  112   2HG2  VAL  13          2HG2      VAL  13  -3.802   8.017   5.615
  113   3HG2  VAL  13          3HG2      VAL  13  -2.262   7.306   5.130
  114    H    CYS  14           H        CYS  14  -2.661   9.227   1.333
  115    HA   CYS  14           HA       CYS  14  -2.771  12.059   0.759
  116   1HB   CYS  14          2HB       CYS  14  -1.076   9.906  -0.514
  117   2HB   CYS  14          1HB       CYS  14  -0.853  11.644  -0.686
  118    HG   CYS  14           HG       CYS  14   0.345   9.621   1.591
  119    H    LYS  15           H        LYS  15  -4.579   9.511  -0.287
  120    HA   LYS  15           HA       LYS  15  -5.940   9.102  -2.065
  121   1HB   LYS  15          2HB       LYS  15  -5.584  12.026  -2.725
  122   2HB   LYS  15          1HB       LYS  15  -6.956  11.002  -3.115
  123   1HG   LYS  15          2HG       LYS  15  -6.138  11.811  -0.331
  124   2HG   LYS  15          1HG       LYS  15  -7.411  12.572  -1.278
  125   1HD   LYS  15          2HD       LYS  15  -8.550  10.347  -1.389
  126   2HD   LYS  15          1HD       LYS  15  -7.333   9.737  -0.265
  127   1HE   LYS  15          2HE       LYS  15  -9.255  12.007   0.254
  128   2HE   LYS  15          1HE       LYS  15  -9.378  10.374   0.907
  129   1HZ   LYS  15          1HZ       LYS  15  -7.199  12.324   1.466
  130   2HZ   LYS  15          2HZ       LYS  15  -7.274  10.736   2.069
  131   3HZ   LYS  15          3HZ       LYS  15  -8.439  11.871   2.530
  132    H    GLY  16           H        GLY  16  -3.023   8.856  -2.472
  133   1HA   GLY  16          2HA       GLY  16  -2.415  10.109  -5.001
  134   2HA   GLY  16          1HA       GLY  16  -1.338   9.144  -4.030
  135    H    ARG  17           H        ARG  17  -4.432   8.378  -5.450
  136    HA   ARG  17           HA       ARG  17  -5.154   6.861  -6.983
  137   1HB   ARG  17          2HB       ARG  17  -3.764   8.338  -8.418
  138   2HB   ARG  17          1HB       ARG  17  -2.416   7.230  -8.197
  139   1HG   ARG  17          2HG       ARG  17  -3.873   5.433  -9.189
  140   2HG   ARG  17          1HG       ARG  17  -5.019   6.710  -9.608
  141   1HD   ARG  17          2HD       ARG  17  -3.168   7.853 -10.841
  142   2HD   ARG  17          1HD       ARG  17  -2.167   6.433 -10.544
  143    HE   ARG  17           HE       ARG  17  -4.296   6.700 -12.468
  144   1HH1  ARG  17          1HH1      ARG  17  -2.416   4.417 -10.583
  145   2HH1  ARG  17          2HH1      ARG  17  -2.687   3.088 -11.676
  146   1HH2  ARG  17          1HH2      ARG  17  -4.642   4.947 -13.904
  147   2HH2  ARG  17          2HH2      ARG  17  -3.948   3.394 -13.554
  148    H    LEU  18           H        LEU  18  -5.507   4.847  -6.252
  149    HA   LEU  18           HA       LEU  18  -3.277   3.090  -5.640
  150   1HB   LEU  18          2HB       LEU  18  -6.264   2.649  -5.577
  151   2HB   LEU  18          1HB       LEU  18  -5.084   1.423  -5.155
  152    HG   LEU  18           HG       LEU  18  -5.493   4.045  -3.709
  153   1HD1  LEU  18          1HD1      LEU  18  -6.334   2.641  -1.896
  154   2HD1  LEU  18          2HD1      LEU  18  -6.139   1.210  -2.908
  155   3HD1  LEU  18          3HD1      LEU  18  -7.310   2.452  -3.353
  156   1HD2  LEU  18          1HD2      LEU  18  -3.917   3.142  -2.073
  157   2HD2  LEU  18          2HD2      LEU  18  -3.161   3.318  -3.657
  158   3HD2  LEU  18          3HD2      LEU  18  -3.665   1.725  -3.094
  159    H    GLU  19           H        GLU  19  -2.721   1.266  -6.792
  160    HA   GLU  19           HA       GLU  19  -4.005   0.959  -9.427
  161   1HB   GLU  19          2HB       GLU  19  -1.744   2.005  -9.576
  162   2HB   GLU  19          1HB       GLU  19  -1.067   0.578  -8.803
  163   1HG   GLU  19          2HG       GLU  19  -0.797   0.595 -11.251
  164   2HG   GLU  19          1HG       GLU  19  -1.702  -0.800 -10.660
  165    H    PHE  20           H        PHE  20  -4.237  -1.157 -10.193
  166    HA   PHE  20           HA       PHE  20  -4.379  -3.073  -7.997
  167   1HB   PHE  20          2HB       PHE  20  -6.394  -2.703  -9.374
  168   2HB   PHE  20          1HB       PHE  20  -5.514  -3.257 -10.796
  169    HD1  PHE  20           1HD      PHE  20  -6.713  -4.332  -7.460
  170    HD2  PHE  20           2HD      PHE  20  -5.404  -5.531 -11.324
  171    HE1  PHE  20           1HE      PHE  20  -7.378  -6.644  -6.959
  172    HE2  PHE  20           2HE      PHE  20  -6.070  -7.850 -10.832
  173    HZ   PHE  20           HZ       PHE  20  -7.060  -8.408  -8.647
  174    H    GLN  21           H        GLN  21  -2.563  -4.148  -7.683
  175    HA   GLN  21           HA       GLN  21  -0.793  -4.991  -9.760
  176   1HB   GLN  21          2HB       GLN  21  -0.893  -5.059  -6.872
  177   2HB   GLN  21          1HB       GLN  21  -0.389  -6.620  -7.503
  178   1HG   GLN  21          2HG       GLN  21   0.889  -4.033  -8.329
  179   2HG   GLN  21          1HG       GLN  21   1.440  -4.984  -6.951
  180   1HE2  GLN  21          1HE2      GLN  21   3.426  -5.400  -7.822
  181   2HE2  GLN  21          2HE2      GLN  21   3.659  -6.483  -9.162
  182    H    ARG  22           H        ARG  22  -1.616  -6.341 -11.258
  183    HA   ARG  22           HA       ARG  22  -3.529  -8.373 -10.556
  184   1HB   ARG  22          2HB       ARG  22  -3.385  -6.996 -12.751
  185   2HB   ARG  22          1HB       ARG  22  -2.161  -8.169 -13.221
  186   1HG   ARG  22          2HG       ARG  22  -3.788  -9.975 -12.915
  187   2HG   ARG  22          1HG       ARG  22  -5.013  -8.779 -12.482
  188   1HD   ARG  22          2HD       ARG  22  -4.378  -7.710 -14.774
  189   2HD   ARG  22          1HD       ARG  22  -3.738  -9.315 -15.130
  190    HE   ARG  22           HE       ARG  22  -6.426  -9.344 -14.098
  191   1HH1  ARG  22          1HH1      ARG  22  -4.456  -9.171 -16.989
  192   2HH1  ARG  22          2HH1      ARG  22  -5.763  -9.574 -18.063
  193   1HH2  ARG  22          1HH2      ARG  22  -8.148  -9.876 -15.497
  194   2HH2  ARG  22          2HH2      ARG  22  -7.875  -9.926 -17.217
  195    H    ALA  23           H        ALA  23  -2.189  -9.501  -9.054
  196    HA   ALA  23           HA       ALA  23  -1.034 -11.848 -10.012
  197   1HB   ALA  23          1HB       ALA  23   0.795 -10.424 -10.807
  198   2HB   ALA  23          2HB       ALA  23   1.341 -11.510  -9.527
  199   3HB   ALA  23          3HB       ALA  23   1.029  -9.810  -9.171
  200    H    GLN  24           H        GLN  24  -0.039  -9.581  -7.439
  201    HA   GLN  24           HA       GLN  24  -0.373 -11.725  -5.484
  202   1HB   GLN  24          2HB       GLN  24   1.738 -10.367  -5.605
  203   2HB   GLN  24          1HB       GLN  24   0.808  -8.969  -5.086
  204   1HG   GLN  24          2HG       GLN  24   0.370  -9.950  -2.964
  205   2HG   GLN  24          1HG       GLN  24   1.026 -11.504  -3.482
  206   1HE2  GLN  24          1HE2      GLN  24   1.788  -8.235  -2.530
  207   2HE2  GLN  24          2HE2      GLN  24   3.470  -8.518  -2.239
  208    H    ALA  25           H        ALA  25  -2.245  -9.393  -6.782
  209    HA   ALA  25           HA       ALA  25  -4.188  -8.363  -6.256
  210   1HB   ALA  25          1HB       ALA  25  -4.293 -10.379  -4.018
  211   2HB   ALA  25          2HB       ALA  25  -4.876 -10.631  -5.662
  212   3HB   ALA  25          3HB       ALA  25  -5.650  -9.429  -4.627
  213    H    GLU  26           H        GLU  26  -2.788  -6.529  -5.716
  214    HA   GLU  26           HA       GLU  26  -3.472  -5.546  -3.076
  215   1HB   GLU  26          2HB       GLU  26  -1.112  -4.682  -2.749
  216   2HB   GLU  26          1HB       GLU  26  -1.329  -6.415  -2.544
  217   1HG   GLU  26          2HG       GLU  26  -0.420  -6.818  -4.751
  218   2HG   GLU  26          1HG       GLU  26  -0.263  -5.084  -5.025
  219    H    LEU  27           H        LEU  27  -3.473  -3.289  -2.925
  220    HA   LEU  27           HA       LEU  27  -3.513  -1.935  -5.528
  221   1HB   LEU  27          2HB       LEU  27  -4.669  -1.071  -2.878
  222   2HB   LEU  27          1HB       LEU  27  -4.823  -0.198  -4.385
  223    HG   LEU  27           HG       LEU  27  -5.964  -2.940  -3.841
  224   1HD1  LEU  27          1HD1      LEU  27  -7.320  -0.257  -4.055
  225   2HD1  LEU  27          2HD1      LEU  27  -7.102  -1.195  -2.577
  226   3HD1  LEU  27          3HD1      LEU  27  -8.128  -1.814  -3.872
  227   1HD2  LEU  27          1HD2      LEU  27  -6.247  -1.110  -6.221
  228   2HD2  LEU  27          2HD2      LEU  27  -7.132  -2.616  -5.973
  229   3HD2  LEU  27          3HD2      LEU  27  -5.381  -2.645  -6.181
  230    H    VAL  28           H        VAL  28  -1.681  -0.995  -6.006
  231    HA   VAL  28           HA       VAL  28   0.165  -0.146  -3.945
  232    HB   VAL  28           HB       VAL  28   0.405   0.016  -6.956
  233   1HG1  VAL  28          1HG1      VAL  28   2.512   0.282  -4.818
  234   2HG1  VAL  28          2HG1      VAL  28   1.869   1.592  -5.810
  235   3HG1  VAL  28          3HG1      VAL  28   2.792   0.287  -6.560
  236   1HG2  VAL  28          1HG2      VAL  28   1.821  -1.965  -6.761
  237   2HG2  VAL  28          2HG2      VAL  28   0.181  -2.284  -6.195
  238   3HG2  VAL  28          3HG2      VAL  28   1.484  -2.038  -5.032
  239    H    CYS  29           H        CYS  29   0.148   1.830  -3.105
  240    HA   CYS  29           HA       CYS  29  -1.214   4.004  -4.470
  241   1HB   CYS  29          2HB       CYS  29  -1.491   3.780  -2.029
  242   2HB   CYS  29          1HB       CYS  29   0.246   3.990  -1.815
  243    HG   CYS  29           HG       CYS  29  -0.793   6.409  -1.057
  244    H    ASN  30           H        ASN  30  -0.232   5.428  -5.716
  245    HA   ASN  30           HA       ASN  30   2.554   5.012  -6.277
  246   1HB   ASN  30          2HB       ASN  30   0.476   6.856  -7.464
  247   2HB   ASN  30          1HB       ASN  30   2.142   6.779  -8.037
  248   1HD2  ASN  30          1HD2      ASN  30  -0.882   5.022  -7.758
  249   2HD2  ASN  30          2HD2      ASN  30  -0.497   3.817  -8.938
  250    H    ALA  31           H        ALA  31   0.723   7.261  -4.417
  251    HA   ALA  31           HA       ALA  31   2.870   9.222  -4.367
  252   1HB   ALA  31          1HB       ALA  31   1.384  10.535  -2.952
  253   2HB   ALA  31          2HB       ALA  31   0.251   9.188  -2.872
  254   3HB   ALA  31          3HB       ALA  31   0.551   9.996  -4.409
  255    H    ASP  32           H        ASP  32   1.240   7.035  -2.090
  256    HA   ASP  32           HA       ASP  32   2.979   7.774   0.081
  257   1HB   ASP  32          2HB       ASP  32   0.896   5.603  -0.183
  258   2HB   ASP  32          1HB       ASP  32   1.827   5.881   1.283
  259    H    ARG  33           H        ARG  33   3.276   5.670  -2.526
  260    HA   ARG  33           HA       ARG  33   4.776   4.052  -3.103
  261   1HB   ARG  33          2HB       ARG  33   6.240   4.871  -0.596
  262   2HB   ARG  33          1HB       ARG  33   6.894   3.914  -1.918
  263   1HG   ARG  33          2HG       ARG  33   6.485   5.871  -3.420
  264   2HG   ARG  33          1HG       ARG  33   6.090   6.807  -1.974
  265   1HD   ARG  33          2HD       ARG  33   8.320   6.124  -1.061
  266   2HD   ARG  33          1HD       ARG  33   8.685   5.467  -2.655
  267    HE   ARG  33           HE       ARG  33   7.866   8.113  -3.003
  268   1HH1  ARG  33          1HH1      ARG  33  10.512   6.353  -1.521
  269   2HH1  ARG  33          2HH1      ARG  33  11.653   7.647  -1.707
  270   1HH2  ARG  33          1HH2      ARG  33   9.368   9.827  -3.248
  271   2HH2  ARG  33          2HH2      ARG  33  11.010   9.615  -2.703
  272    H    LEU  34           H        LEU  34   2.488   3.392  -1.517
  273    HA   LEU  34           HA       LEU  34   3.503   1.182   0.146
  274   1HB   LEU  34          2HB       LEU  34   0.979   2.806   0.442
  275   2HB   LEU  34          1HB       LEU  34   1.308   1.345   1.352
  276    HG   LEU  34           HG       LEU  34   3.003   3.835   1.456
  277   1HD1  LEU  34          1HD1      LEU  34   2.013   4.196   3.656
  278   2HD1  LEU  34          2HD1      LEU  34   0.956   2.804   3.417
  279   3HD1  LEU  34          3HD1      LEU  34   0.781   4.232   2.395
  280   1HD2  LEU  34          1HD2      LEU  34   3.014   1.325   3.128
  281   2HD2  LEU  34          2HD2      LEU  34   3.994   2.760   3.428
  282   3HD2  LEU  34          3HD2      LEU  34   4.247   1.809   1.964
  283    H    ALA  35           H        ALA  35   2.125  -0.711   0.264
  284    HA   ALA  35           HA       ALA  35   0.429  -1.091  -2.117
  285   1HB   ALA  35          1HB       ALA  35   2.587  -2.203  -2.465
  286   2HB   ALA  35          2HB       ALA  35   1.274  -3.372  -2.336
  287   3HB   ALA  35          3HB       ALA  35   2.359  -3.110  -0.970
  288    H    PHE  36           H        PHE  36  -1.575  -1.337  -1.426
  289    HA   PHE  36           HA       PHE  36  -2.076  -2.436   1.239
  290   1HB   PHE  36          2HB       PHE  36  -3.950  -1.069  -0.709
  291   2HB   PHE  36          1HB       PHE  36  -4.354  -1.547   0.935
  292    HD1  PHE  36           2HD      PHE  36  -3.198  -0.429   2.846
  293    HD2  PHE  36           1HD      PHE  36  -2.851   0.961  -1.160
  294    HE1  PHE  36           2HE      PHE  36  -2.414   1.744   3.676
  295    HE2  PHE  36           1HE      PHE  36  -2.064   3.147  -0.334
  296    HZ   PHE  36           HZ       PHE  36  -1.847   3.537   2.089
  297    HA   PRO  37           HA       PRO  37  -2.813  -6.278  -0.967
  298   1HB   PRO  37          2HB       PRO  37  -3.361  -7.341   1.716
  299   2HB   PRO  37          1HB       PRO  37  -2.116  -7.813   0.558
  300   1HG   PRO  37          2HG       PRO  37  -1.523  -6.477   2.821
  301   2HG   PRO  37          1HG       PRO  37  -0.622  -6.216   1.315
  302   1HD   PRO  37          2HD       PRO  37  -2.782  -4.553   2.551
  303   2HD   PRO  37          1HD       PRO  37  -1.280  -4.039   1.754
  304    H    VAL  38           H        VAL  38  -4.626  -7.230  -1.726
  305    HA   VAL  38           HA       VAL  38  -7.182  -6.424  -0.561
  306    HB   VAL  38           HB       VAL  38  -6.640  -7.953  -3.116
  307   1HG1  VAL  38          1HG1      VAL  38  -8.954  -7.410  -3.680
  308   2HG1  VAL  38          2HG1      VAL  38  -9.162  -6.647  -2.103
  309   3HG1  VAL  38          3HG1      VAL  38  -8.858  -8.382  -2.212
  310   1HG2  VAL  38          1HG2      VAL  38  -5.724  -5.706  -3.239
  311   2HG2  VAL  38          2HG2      VAL  38  -7.267  -5.031  -2.711
  312   3HG2  VAL  38          3HG2      VAL  38  -7.150  -5.855  -4.266
  313    H    ARG  39           H        ARG  39  -8.187  -7.714   0.831
  314    HA   ARG  39           HA       ARG  39  -7.242 -10.462   1.087
  315   1HB   ARG  39          2HB       ARG  39  -7.364  -9.010   3.110
  316   2HB   ARG  39          1HB       ARG  39  -9.107  -8.918   2.905
  317   1HG   ARG  39          2HG       ARG  39  -9.229 -11.368   3.176
  318   2HG   ARG  39          1HG       ARG  39  -7.490 -11.393   3.475
  319   1HD   ARG  39          2HD       ARG  39  -7.817  -9.897   5.391
  320   2HD   ARG  39          1HD       ARG  39  -9.557  -9.930   5.111
  321    HE   ARG  39           HE       ARG  39  -8.311 -12.519   5.485
  322   1HH1  ARG  39          1HH1      ARG  39  -9.982  -9.835   7.003
  323   2HH1  ARG  39          2HH1      ARG  39 -10.492 -10.774   8.375
  324   1HH2  ARG  39          1HH2      ARG  39  -8.954 -13.737   7.303
  325   2HH2  ARG  39          2HH2      ARG  39  -9.889 -12.976   8.555
  326    H    ASP  40           H        ASP  40  -8.280 -11.000  -0.937
  327    HA   ASP  40           HA       ASP  40  -9.926 -11.884  -2.226
  328   1HB   ASP  40          2HB       ASP  40  -9.684 -13.610  -0.465
  329   2HB   ASP  40          1HB       ASP  40 -10.991 -12.845   0.435
  330    H    GLY  41           H        GLY  41 -10.740  -9.803  -2.835
  331   1HA   GLY  41          2HA       GLY  41 -12.775  -8.811  -3.487
  332   2HA   GLY  41          1HA       GLY  41 -13.551  -9.539  -2.089
  333    H    VAL  42           H        VAL  42 -11.767  -8.644  -0.085
  334    HA   VAL  42           HA       VAL  42 -12.612  -5.834  -0.018
  335    HB   VAL  42           HB       VAL  42 -11.754  -7.610   2.275
  336   1HG1  VAL  42          1HG1      VAL  42 -11.386  -5.240   2.702
  337   2HG1  VAL  42          2HG1      VAL  42 -12.692  -5.876   3.702
  338   3HG1  VAL  42          3HG1      VAL  42 -13.064  -4.897   2.282
  339   1HG2  VAL  42          1HG2      VAL  42 -13.824  -8.409   1.285
  340   2HG2  VAL  42          2HG2      VAL  42 -14.521  -6.792   1.405
  341   3HG2  VAL  42          3HG2      VAL  42 -14.120  -7.692   2.869
  342    HA   PRO  43           HA       PRO  43  -8.199  -4.963  -0.514
  343   1HB   PRO  43          2HB       PRO  43  -9.113  -2.197  -0.718
  344   2HB   PRO  43          1HB       PRO  43  -8.266  -3.183  -1.911
  345   1HG   PRO  43          2HG       PRO  43 -10.853  -2.453  -2.210
  346   2HG   PRO  43          1HG       PRO  43 -10.220  -3.990  -2.828
  347   1HD   PRO  43          2HD       PRO  43 -11.802  -3.451  -0.344
  348   2HD   PRO  43          1HD       PRO  43 -11.948  -4.790  -1.504
  349    H    ILE  44           H        ILE  44  -7.010  -4.875   1.303
  350    HA   ILE  44           HA       ILE  44  -8.040  -3.516   3.648
  351    HB   ILE  44           HB       ILE  44  -5.421  -4.993   3.341
  352   1HG1  ILE  44          2HG1      ILE  44  -7.269  -6.511   2.873
  353   2HG1  ILE  44          1HG1      ILE  44  -6.594  -6.876   4.455
  354   1HG2  ILE  44          1HG2      ILE  44  -5.484  -5.118   5.783
  355   2HG2  ILE  44          2HG2      ILE  44  -6.981  -4.187   5.795
  356   3HG2  ILE  44          3HG2      ILE  44  -5.486  -3.444   5.227
  357   1HD1  ILE  44          1HD1      ILE  44  -8.440  -5.631   5.504
  358   2HD1  ILE  44          2HD1      ILE  44  -8.998  -6.994   4.533
  359   3HD1  ILE  44          3HD1      ILE  44  -9.129  -5.353   3.903
  360    H    MET  45           H        MET  45  -7.908  -1.369   3.367
  361    HA   MET  45           HA       MET  45  -5.477  -0.201   2.260
  362   1HB   MET  45          2HB       MET  45  -8.140   1.023   2.992
  363   2HB   MET  45          1HB       MET  45  -6.796   1.914   2.293
  364   1HG   MET  45          2HG       MET  45  -6.891   0.495   0.308
  365   2HG   MET  45          1HG       MET  45  -8.247  -0.383   1.007
  366   1HE   MET  45          1HE       MET  45 -11.052   2.328   1.098
  367   2HE   MET  45          2HE       MET  45  -9.916   1.959   2.395
  368   3HE   MET  45          3HE       MET  45 -10.620   0.653   1.441
  369    H    LEU  46           H        LEU  46  -5.692  -1.396   5.010
  370    HA   LEU  46           HA       LEU  46  -5.282   0.895   6.746
  371   1HB   LEU  46          2HB       LEU  46  -5.046  -2.063   7.306
  372   2HB   LEU  46          1HB       LEU  46  -4.885  -0.798   8.507
  373    HG   LEU  46           HG       LEU  46  -7.379  -1.527   6.979
  374   1HD1  LEU  46          1HD1      LEU  46  -6.786  -3.056   8.782
  375   2HD1  LEU  46          2HD1      LEU  46  -8.223  -2.117   9.187
  376   3HD1  LEU  46          3HD1      LEU  46  -6.666  -1.698   9.901
  377   1HD2  LEU  46          1HD2      LEU  46  -8.488   0.186   8.318
  378   2HD2  LEU  46          2HD2      LEU  46  -7.244   0.889   7.285
  379   3HD2  LEU  46          3HD2      LEU  46  -6.934   0.659   9.006
  380    H    GLU  47           H        GLU  47  -3.347   1.577   7.512
  381    HA   GLU  47           HA       GLU  47  -1.000   0.877   6.039
  382   1HB   GLU  47          2HB       GLU  47   0.121   2.556   7.320
  383   2HB   GLU  47          1HB       GLU  47  -1.490   3.167   6.985
  384   1HG   GLU  47          2HG       GLU  47  -0.792   1.810   9.571
  385   2HG   GLU  47          1HG       GLU  47  -0.565   3.537   9.317
  386    H    ALA  48           H        ALA  48  -2.522  -0.237   8.871
  387    HA   ALA  48           HA       ALA  48  -0.246  -1.257  10.229
  388   1HB   ALA  48          1HB       ALA  48  -1.844  -2.430  11.627
  389   2HB   ALA  48          2HB       ALA  48  -3.132  -2.082  10.474
  390   3HB   ALA  48          3HB       ALA  48  -2.362  -0.765  11.357
  391    H    GLU  49           H        GLU  49  -2.217  -2.465   7.625
  392    HA   GLU  49           HA       GLU  49  -0.896  -5.088   7.887
  393   1HB   GLU  49          2HB       GLU  49  -3.617  -4.492   6.716
  394   2HB   GLU  49          1HB       GLU  49  -2.853  -6.075   6.760
  395   1HG   GLU  49          2HG       GLU  49  -2.799  -5.826   9.278
  396   2HG   GLU  49          1HG       GLU  49  -3.866  -4.437   9.063
  397    H    ALA  50           H        ALA  50  -0.515  -2.416   6.237
  398    HA   ALA  50           HA       ALA  50  -0.386  -3.631   3.573
  399   1HB   ALA  50          1HB       ALA  50  -0.095  -0.745   4.396
  400   2HB   ALA  50          2HB       ALA  50  -1.544  -1.489   3.719
  401   3HB   ALA  50          3HB       ALA  50  -0.082  -1.349   2.741
  402    H    ARG  51           H        ARG  51   1.535  -3.243   2.257
  403    HA   ARG  51           HA       ARG  51   3.981  -3.098   3.889
  404   1HB   ARG  51          2HB       ARG  51   5.092  -4.482   2.242
  405   2HB   ARG  51          1HB       ARG  51   3.631  -5.294   2.779
  406   1HG   ARG  51          2HG       ARG  51   2.485  -4.640   0.749
  407   2HG   ARG  51          1HG       ARG  51   3.906  -3.738   0.215
  408   1HD   ARG  51          2HD       ARG  51   5.193  -5.877   0.305
  409   2HD   ARG  51          1HD       ARG  51   3.681  -6.716   0.634
  410    HE   ARG  51           HE       ARG  51   2.932  -5.753  -1.585
  411   1HH1  ARG  51          1HH1      ARG  51   6.282  -6.519  -0.846
  412   2HH1  ARG  51          2HH1      ARG  51   6.718  -6.743  -2.517
  413   1HH2  ARG  51          1HH2      ARG  51   3.524  -6.047  -3.776
  414   2HH2  ARG  51          2HH2      ARG  51   5.171  -6.489  -4.163
  415    H    SER  52           H        SER  52   5.906  -2.304   2.482
  416    HA   SER  52           HA       SER  52   4.964   0.025   0.972
  417   1HB   SER  52          2HB       SER  52   5.925   0.651   3.084
  418   2HB   SER  52          1HB       SER  52   7.390  -0.239   2.726
  419    HG   SER  52           HG       SER  52   7.066   2.237   2.278
  420    H    LEU  53           H        LEU  53   6.306   0.848  -0.648
  421    HA   LEU  53           HA       LEU  53   7.805  -1.187  -2.120
  422   1HB   LEU  53          2HB       LEU  53   7.128   1.666  -2.860
  423   2HB   LEU  53          1HB       LEU  53   7.916   0.506  -3.912
  424    HG   LEU  53           HG       LEU  53   5.095   0.288  -2.856
  425   1HD1  LEU  53          1HD1      LEU  53   4.470   0.659  -5.201
  426   2HD1  LEU  53          2HD1      LEU  53   6.165   0.937  -5.599
  427   3HD1  LEU  53          3HD1      LEU  53   5.321   2.041  -4.512
  428   1HD2  LEU  53          1HD2      LEU  53   4.902  -1.615  -4.389
  429   2HD2  LEU  53          2HD2      LEU  53   6.121  -1.907  -3.149
  430   3HD2  LEU  53          3HD2      LEU  53   6.615  -1.471  -4.784
  431    H    ASP  54           H        ASP  54   8.213   1.606  -0.168
  432    HA   ASP  54           HA       ASP  54  10.948   2.134  -0.873
  433   1HB   ASP  54          2HB       ASP  54   9.489   3.905   0.018
  434   2HB   ASP  54          1HB       ASP  54   9.303   3.010   1.523
  435    H    ALA  55           H        ALA  55   9.264  -0.057   1.112
  436    HA   ALA  55           HA       ALA  55  11.534  -0.736   2.779
  437   1HB   ALA  55          1HB       ALA  55   9.261  -0.916   3.676
  438   2HB   ALA  55          2HB       ALA  55  10.081  -2.478   3.679
  439   3HB   ALA  55          3HB       ALA  55   8.874  -2.120   2.445
  440    H    GLU  56           H        GLU  56  10.796  -1.224  -0.380
  441    HA   GLU  56           HA       GLU  56  11.914  -3.917  -0.513
  442   1HB   GLU  56          2HB       GLU  56  10.722  -2.115  -2.626
  443   2HB   GLU  56          1HB       GLU  56  11.412  -3.695  -2.969
  444   1HG   GLU  56          2HG       GLU  56   9.060  -3.176  -1.157
  445   2HG   GLU  56          1HG       GLU  56   8.968  -3.748  -2.822
  446    H    ALA  57           H        ALA  57  13.250  -1.273   0.122
  447    HA   ALA  57           HA       ALA  57  15.277  -1.231  -1.997
  448   1HB   ALA  57          1HB       ALA  57  14.218   0.918  -1.465
  449   2HB   ALA  57          2HB       ALA  57  15.944   0.934  -1.102
  450   3HB   ALA  57          3HB       ALA  57  14.771   0.767   0.203
  451    HA   PRO  58           HA       PRO  58  18.188  -3.357   0.577
  452   1HB   PRO  58          2HB       PRO  58  20.480  -2.166  -0.408
  453   2HB   PRO  58          1HB       PRO  58  19.653  -3.528  -1.170
  454   1HG   PRO  58          2HG       PRO  58  19.501  -0.615  -1.814
  455   2HG   PRO  58          1HG       PRO  58  19.559  -2.007  -2.914
  456   1HD   PRO  58          2HD       PRO  58  17.254  -0.733  -2.404
  457   2HD   PRO  58          1HD       PRO  58  17.311  -2.495  -2.621
  458    H    ALA  59           H        ALA  59  18.704  -2.937   2.627
  459    HA   ALA  59           HA       ALA  59  18.746  -0.187   3.520
  460   1HB   ALA  59          1HB       ALA  59  18.769  -1.116   5.760
  461   2HB   ALA  59          2HB       ALA  59  19.031  -2.733   5.108
  462   3HB   ALA  59          3HB       ALA  59  17.518  -1.884   4.783
  463    H    GLN  60           H        GLN  60  20.558   0.963   3.416
  464    HA   GLN  60           HA       GLN  60  23.160  -0.265   3.560
  465   1HB   GLN  60          2HB       GLN  60  22.296   2.637   3.545
  466   2HB   GLN  60          1HB       GLN  60  23.976   2.129   3.596
  467   1HG   GLN  60          2HG       GLN  60  23.497   2.661   1.352
  468   2HG   GLN  60          1HG       GLN  60  23.563   0.902   1.445
  469   1HE2  GLN  60          1HE2      GLN  60  22.302   0.568  -0.344
  470   2HE2  GLN  60          2HE2      GLN  60  20.609   0.911  -0.375
  471    HA   PRO  61           HA       PRO  61  23.635  -0.632   7.894
  472   1HB   PRO  61          2HB       PRO  61  26.363   0.485   7.465
  473   2HB   PRO  61          1HB       PRO  61  25.871  -1.009   8.272
  474   1HG   PRO  61          2HG       PRO  61  26.932  -1.075   5.840
  475   2HG   PRO  61          1HG       PRO  61  25.592  -2.150   6.276
  476   1HD   PRO  61          2HD       PRO  61  25.568   0.330   4.617
  477   2HD   PRO  61          1HD       PRO  61  24.631  -1.164   4.425
  478    H    SER  62           H        SER  62  22.363   0.884   8.824
  479    HA   SER  62           HA       SER  62  23.672   3.418   9.545
  480   1HB   SER  62          2HB       SER  62  20.705   3.117   8.993
  481   2HB   SER  62          1HB       SER  62  21.584   4.613   9.311
  482    HG   SER  62           HG       SER  62  21.953   2.905   7.062
  483    H    LEU  63           H        LEU  63  24.296   2.537  11.534
  484    HA   LEU  63           HA       LEU  63  22.199   1.285  13.155
  485   1HB   LEU  63          2HB       LEU  63  25.202   1.230  13.455
  486   2HB   LEU  63          1HB       LEU  63  24.079   0.457  14.552
  487    HG   LEU  63           HG       LEU  63  23.283  -0.874  12.494
  488   1HD1  LEU  63          1HD1      LEU  63  24.381   0.471  10.790
  489   2HD1  LEU  63          2HD1      LEU  63  24.958  -1.195  10.753
  490   3HD1  LEU  63          3HD1      LEU  63  25.957   0.066  11.475
  491   1HD2  LEU  63          1HD2      LEU  63  24.508  -1.850  14.346
  492   2HD2  LEU  63          2HD2      LEU  63  26.033  -1.310  13.642
  493   3HD2  LEU  63          3HD2      LEU  63  25.059  -2.525  12.813
  494    H    GLU  64           H        GLU  64  21.488   2.176  14.999
  495    HA   GLU  64           HA       GLU  64  22.857   4.545  16.017
  496   1HB   GLU  64          2HB       GLU  64  20.794   4.448  17.660
  497   2HB   GLU  64          1HB       GLU  64  20.628   5.092  16.037
  498   1HG   GLU  64          2HG       GLU  64  18.754   3.702  16.520
  499   2HG   GLU  64          1HG       GLU  64  19.748   2.908  15.301
  500    H    HIS  65           H        HIS  65  22.433   4.417  18.709
  501    HA   HIS  65           HA       HIS  65  24.636   2.792  19.410
  502   1HB   HIS  65          2HB       HIS  65  22.769   4.550  20.933
  503   2HB   HIS  65          1HB       HIS  65  23.832   3.461  21.820
  504    HD1  HIS  65           1HD      HIS  65  25.528   5.071  22.747
  505    HD2  HIS  65           2HD      HIS  65  24.905   5.571  18.662
  506    HE1  HIS  65           1HE      HIS  65  27.293   6.691  21.980
  507    HE2  HIS  65           2HE      HIS  65  27.025   6.813  19.474
  508    H    HIS  66           H        HIS  66  21.195   2.515  20.288
  509    HA   HIS  66           HA       HIS  66  19.905   0.756  20.912
  510   1HB   HIS  66          2HB       HIS  66  21.712  -0.366  19.107
  511   2HB   HIS  66          1HB       HIS  66  21.748  -1.447  20.494
  512    HD1  HIS  66           1HD      HIS  66  19.468  -0.128  17.834
  513    HD2  HIS  66           2HD      HIS  66  19.432  -2.957  20.882
  514    HE1  HIS  66           1HE      HIS  66  17.393  -1.498  17.461
  515    HE2  HIS  66           2HE      HIS  66  17.463  -3.292  19.228
  516    H    HIS  67           H        HIS  67  23.254  -0.113  21.823
  517    HA   HIS  67           HA       HIS  67  22.407  -1.082  24.405
  518   1HB   HIS  67          2HB       HIS  67  25.129  -0.603  23.185
  519   2HB   HIS  67          1HB       HIS  67  24.918  -1.156  24.841
  520    HD1  HIS  67           1HD      HIS  67  25.694  -2.472  21.688
  521    HD2  HIS  67           2HD      HIS  67  23.126  -3.652  24.734
  522    HE1  HIS  67           1HE      HIS  67  25.282  -4.923  21.314
  523    HE2  HIS  67           2HE      HIS  67  23.970  -5.657  23.334
  524    H    HIS  68           H        HIS  68  22.665  -0.071  26.382
  525    HA   HIS  68           HA       HIS  68  23.725   2.660  26.407
  526   1HB   HIS  68          2HB       HIS  68  20.979   1.855  27.377
  527   2HB   HIS  68          1HB       HIS  68  21.768   3.355  27.841
  528    HD1  HIS  68           1HD      HIS  68  21.754   5.261  26.174
  529    HD2  HIS  68           2HD      HIS  68  20.117   1.750  24.666
  530    HE1  HIS  68           1HE      HIS  68  20.650   5.903  24.004
  531    HE2  HIS  68           2HE      HIS  68  19.485   3.804  23.226
  532    H    HIS  69           H        HIS  69  25.219   2.706  27.947
  533    HA   HIS  69           HA       HIS  69  26.174   2.622  30.012
  534   1HB   HIS  69          2HB       HIS  69  23.956   3.254  30.872
  535   2HB   HIS  69          1HB       HIS  69  23.484   1.562  30.914
  536    HD1  HIS  69           1HD      HIS  69  24.270   0.166  32.901
  537    HD2  HIS  69           2HD      HIS  69  25.703   4.070  32.933
  538    HE1  HIS  69           1HE      HIS  69  25.224   0.522  35.203
  539    HE2  HIS  69           2HE      HIS  69  25.828   2.966  35.263
  540    H    HIS  70           H        HIS  70  27.306   1.125  31.363
  541    HA   HIS  70           HA       HIS  70  27.337  -1.590  30.326
  542   1HB   HIS  70          2HB       HIS  70  29.466  -0.411  30.811
  543   2HB   HIS  70          1HB       HIS  70  29.016  -0.323  32.509
  544    HD1  HIS  70           1HD      HIS  70  30.897  -2.321  30.199
  545    HD2  HIS  70           2HD      HIS  70  28.723  -3.072  33.663
  546    HE1  HIS  70           1HE      HIS  70  31.672  -4.572  31.016
  547    HE2  HIS  70           2HE      HIS  70  30.458  -4.931  33.195