*HEADER    ANTIMICROBIAL PROTEIN                   02-AUG-12   2LWL              
*TITLE     STRUCTURAL BASIS FOR THE INTERACTION OF HUMAN β-DEFENSIN 6 AND   
*TITLE    2 ITS PUTATIVE CHEMOKINE RECEPTOR CCR2 AND BREAST CANCER MICROVESICLES 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: BETA-DEFENSIN 106;                                         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: BETA-DEFENSIN 6, BD-6, DEFB-6, DEFENSIN, BETA 106;          
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: DEFB106A, BD6, DEFB106, DEFB6, DEFB106B;                       
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET28A                                     
*KEYWDS    BREAST CANCER, DYNAMIC, ANTIMICROBIAL PROTEIN                         
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    V.S.DE PAULA, N.S.F.GOMES, L.G.LIMA, C.A.MIYAMOTO, R.Q.MONTEIRO,      
*AUTHOR   2 F.C.L.ALMEIDA, A.VALENTE                                             
*REVDAT   1   21-AUG-13 2LWL    0                                                


# Distance constraint file from UNIO
# UNIO version 2.0.2
# File format   : cyana
# File generated: 2012 June 11th, 11:51:52

  8 LYS  HA      8 LYS  QB      2.94 #SUP  2.61
 19 LYS  HA     19 LYS  QG      3.64 #SUP  3.80
 42 SER  HA     43 ILE  H       3.18 #SUP  1.00
 19 LYS  HA     20 ASN  H       3.16 #SUP  5.25
 19 LYS  HA     19 LYS  HB3     2.96 #SUP  3.19
  6 CYSS HA      9 LEU  H       4.24 #SUP  1.73
 29 LYS  HA     30 SER  HA      4.27 #SUP  2.62
 29 LYS  HA     29 LYS  QB      3.00 #SUP  4.50
 29 LYS  HA     29 LYS  HD2     4.18 #SUP  3.81
 29 LYS  HA     29 LYS  QG      3.38 #SUP  5.86
 15 ASN  H      31 LEU  QD2     4.25 #SUP  2.48
 14 LYS  HA     31 LEU  QD2     4.07 #SUP  1.76
 15 ASN  HA     31 LEU  QD2     3.00 #SUP  5.19
 15 ASN  QB     31 LEU  QD2     3.93 #SUP  4.56
 15 ASN  HA     31 LEU  HG      4.85 #SUP  1.62
 10 LYS  H      10 LYS  HA      2.85 #SUP  4.64
 10 LYS  HA     10 LYS  HB3     2.95 #SUP  5.00
 10 LYS  HA     10 LYS  HG2     3.36 #SUP  4.60
 36 THR  H      36 THR  QG2     4.51 #SUP  3.57
 28 GLN  H      28 GLN  HA      2.88 #SUP  5.57
 28 GLN  HA     28 GLN  QG      3.57 #SUP  3.68
 28 GLN  HA     29 LYS  QG      4.87 #SUP  4.77
 12 THR  QG2    13 CYSS H       3.94 #SUP  5.94
 32 LYS  HA     33 CYSS H       3.02 #SUP  3.34
 32 LYS  HA     32 LYS  HB3     2.96 #SUP  3.31
 26 LEU  HA     32 LYS  HA      3.64 #SUP  1.97
 35 ARG  HA     35 ARG  QG      3.24 #SUP  4.56
  9 LEU  HA     10 LYS  HG2     5.50 #SUP  4.35
  9 LEU  HA      9 LEU  QD1     3.17 #SUP  5.45
 25 ALA  QB     26 LEU  H       3.20 #SUP  3.65
 25 ALA  H      25 ALA  QB      3.85 #SUP  4.05
 25 ALA  QB     33 CYSS HB2     3.49 #SUP  2.92
 25 ALA  QB     33 CYSS HB3     3.91 #SUP  2.00
 25 ALA  QB     26 LEU  QB      4.50 #SUP  3.33
 24 ILE  HG12   25 ALA  QB      3.53 #SUP  3.46
 24 ILE  QD1    25 ALA  QB      3.56 #SUP  4.02
 12 THR  QG2    13 CYSS HA      4.95 #SUP  4.24
 13 CYSS HA     14 LYS  H       2.79 #SUP  4.17
 13 CYSS HA     14 LYS  HB3     4.21 #SUP  4.24
 21 GLU  HA     21 GLU  QG      3.43 #SUP  2.95
  3 ASP  HA      4 GLU  H       3.28 #SUP  3.29
 31 LEU  HA     32 LYS  H       3.06 #SUP  4.40
 31 LEU  HA     31 LEU  QD2     3.34 #SUP  4.75
 15 ASN  QB     31 LEU  HA      4.57 #SUP  1.20
 34 CYSS HA     35 ARG  H       2.91 #SUP  3.06
 24 ILE  H      24 ILE  QG2     3.76 #SUP  4.68
 24 ILE  QG2    25 ALA  H       4.56 #SUP  3.61
 24 ILE  HA     24 ILE  QG2     3.35 #SUP  5.50
 24 ILE  QG2    24 ILE  HG12    4.14 #SUP  4.34
 44 ILE  H      44 ILE  QG2     4.75 #SUP  2.90
 37 ILE  QG2    38 GLN  H       3.91 #SUP  3.01
 37 ILE  HA     37 ILE  QG2     3.52 #SUP  3.54
 25 ALA  HA     26 LEU  H       2.95 #SUP  3.80
 25 ALA  HA     26 LEU  QB      4.14 #SUP  3.46
 38 GLN  HA     39 PRO  HD2     3.29 #SUP  2.18
 38 GLN  HA     39 PRO  HD3     3.34 #SUP  2.76
 24 ILE  H      24 ILE  QD1     4.52 #SUP  4.98
 24 ILE  QD1    25 ALA  H       4.70 #SUP  4.26
 24 ILE  QD1    35 ARG  HD2     4.61 #SUP  2.20
 22 GLU  HA     37 ILE  QD1     4.09 #SUP  1.17
 37 ILE  HA     37 ILE  QD1     4.59 #SUP  3.89
 37 ILE  H      37 ILE  QD1     4.63 #SUP  4.29
 43 ILE  QG2    43 ILE  QD1     2.40 #SUP  1.50
 27 CYSS HB2    28 GLN  H       3.99 #SUP  4.21
 27 CYSS HB2    31 LEU  H       4.70 #SUP  2.92
 27 CYSS HB2    31 LEU  HB2     3.25 #SUP  2.96
 27 CYSS HB2    31 LEU  HB3     3.82 #SUP  2.95
 27 CYSS HB3    28 GLN  H       3.23 #SUP  3.99
 27 CYSS H      27 CYSS HB3     3.94 #SUP  3.64
 27 CYSS HB3    31 LEU  H       4.50 #SUP  3.69
 27 CYSS HB3    31 LEU  HB2     3.37 #SUP  3.82
 27 CYSS HB3    31 LEU  HB3     3.99 #SUP  3.78
 27 CYSS HB3    31 LEU  QD1     4.98 #SUP  2.13
 35 ARG  HB3    35 ARG  HD3     3.93 #SUP  4.16
 24 ILE  QD1    35 ARG  HD3     4.11 #SUP  2.93
  3 ASP  H       3 ASP  HB2     4.05 #SUP  2.31
  3 ASP  H       3 ASP  HB3     3.84 #SUP  2.31
 18 GLY  HA2    19 LYS  H       3.40 #SUP  3.03
 18 GLY  HA3    19 LYS  H       3.39 #SUP  3.03
 21 GLU  HB2    34 CYSS HB2     3.97 #SUP  0.75
 21 GLU  HB3    34 CYSS HB2     3.51 #SUP  2.00
 34 CYSS H      34 CYSS HB3     3.54 #SUP  2.43
 31 LEU  HB2    31 LEU  QD1     3.63 #SUP  4.56
 13 CYSS HB3    31 LEU  HB2     4.05 #SUP  1.75
 26 LEU  H      26 LEU  QB      3.51 #SUP  6.98
 26 LEU  QB     27 CYSS H       3.93 #SUP  5.04
 31 LEU  HB3    32 LYS  H       3.35 #SUP  4.49
 13 CYSS HB3    31 LEU  HB3     3.91 #SUP  1.75
 31 LEU  HB3    31 LEU  QD2     3.43 #SUP  5.50
 29 LYS  QG     29 LYS  HE2     3.94 #SUP  3.72
 10 LYS  HG3    10 LYS  HE2     4.06 #SUP  2.29
 16 ASN  HB3    17 CYSS H       4.28 #SUP  3.58
 16 ASN  HB3    16 ASN  HD21    3.82 #SUP  3.57
 16 ASN  HB2    16 ASN  HD21    3.85 #SUP  3.68
 16 ASN  HB2    17 CYSS H       4.19 #SUP  3.87
 23 LEU  H      23 LEU  HB2     3.19 #SUP  4.83
 23 LEU  HB2    23 LEU  HG      2.72 #SUP  4.60
  9 LEU  HB2     9 LEU  QD2     3.33 #SUP  3.52
 26 LEU  QB     26 LEU  QD2     3.19 #SUP  3.82
  9 LEU  H       9 LEU  HB3     3.74 #SUP  4.99
 23 LEU  HB3    23 LEU  HG      2.40 #SUP  4.73
 23 LEU  HB3    23 LEU  QD2     3.99 #SUP  5.65
 13 CYSS HB2    14 LYS  H       4.65 #SUP  3.49
 13 CYSS H      13 CYSS HB2     3.35 #SUP  4.52
 12 THR  QG2    13 CYSS HB2     4.68 #SUP  3.99
  8 LYS  QB      8 LYS  QE      4.73 #SUP  4.46
 14 LYS  HA     14 LYS  HE2     4.69 #SUP  2.71
 29 LYS  HA     29 LYS  HE3     4.50 #SUP  2.64
 14 LYS  HB3    14 LYS  HE2     4.57 #SUP  3.46
 13 CYSS HB3    14 LYS  H       4.43 #SUP  3.86
 13 CYSS H      13 CYSS HB3     3.82 #SUP  4.55
 13 CYSS HB3    31 LEU  QD1     3.81 #SUP  1.86
 24 ILE  HB     24 ILE  QD1     3.07 #SUP  4.90
  1 PHE  HB2     1 PHE  HD1     3.27 #SUP  2.96
  1 PHE  HB2     2 PHE  H       3.78 #SUP  3.61
  2 PHE  H       2 PHE  QB      3.78 #SUP  3.05
 24 ILE  HG12   33 CYSS HB2     4.72 #SUP  1.71
 33 CYSS H      33 CYSS HB2     3.63 #SUP  3.02
 24 ILE  QD1    33 CYSS HB2     4.79 #SUP  1.81
  7 ASN  H       7 ASN  HB3     3.72 #SUP  1.93
 33 CYSS H      33 CYSS HB3     3.64 #SUP  3.50
 43 ILE  HB     43 ILE  QD1     3.54 #SUP  2.37
 37 ILE  H      37 ILE  HB      3.30 #SUP  4.81
 37 ILE  HB     37 ILE  QD1     3.24 #SUP  3.77
 15 ASN  QB     16 ASN  H       3.35 #SUP  3.94
 15 ASN  HA     15 ASN  QB      2.83 #SUP  2.23
 44 ILE  H      44 ILE  HB      3.81 #SUP  3.18
  6 CYSS H       6 CYSS HB2     3.25 #SUP  2.91
 20 ASN  HB2    20 ASN  HD21    3.94 #SUP  3.63
 20 ASN  HB3    20 ASN  HD21    3.87 #SUP  3.76
 20 ASN  H      20 ASN  HB3     4.20 #SUP  5.21
  6 CYSS H       6 CYSS HB3     3.25 #SUP  2.91
 12 THR  HB     13 CYSS H       3.66 #SUP  4.40
 14 LYS  HB2    16 ASN  H       4.00 #SUP  3.80
 14 LYS  H      14 LYS  HB3     4.09 #SUP  4.78
  4 GLU  H       4 GLU  HG2     4.69 #SUP  3.88
 21 GLU  HB2    21 GLU  QG      2.81 #SUP  2.44
 21 GLU  QG     36 THR  QG2     5.34 #SUP  2.77
 24 ILE  QD1    35 ARG  HB2     4.16 #SUP  2.17
 35 ARG  HB3    36 THR  H       4.68 #SUP  4.73
 35 ARG  HB3    35 ARG  HD2     4.00 #SUP  4.16
 24 ILE  QD1    35 ARG  HB3     3.95 #SUP  2.20
 22 GLU  QG     37 ILE  QD1     3.84 #SUP  1.09
 36 THR  H      36 THR  HB      3.33 #SUP  3.46
 36 THR  HB     37 ILE  H       4.65 #SUP  3.85
 17 CYSS HB2    18 GLY  H       3.71 #SUP  2.79
 17 CYSS HB2    21 GLU  HB3     4.07 #SUP  2.96
 17 CYSS HB2    21 GLU  HB2     3.21 #SUP  4.00
 18 GLY  H      21 GLU  HB2     4.43 #SUP  1.09
 32 LYS  H      32 LYS  HB2     3.65 #SUP  3.52
 14 LYS  H      32 LYS  HB2     4.64 #SUP  0.75
 32 LYS  H      32 LYS  HB3     3.63 #SUP  3.95
 32 LYS  HB3    33 CYSS H       4.67 #SUP  3.77
 21 GLU  HB3    22 GLU  H       3.87 #SUP  3.29
 28 GLN  H      28 GLN  QG      3.76 #SUP  5.01
 17 CYSS HB3    21 GLU  HB2     3.89 #SUP  2.31
 21 GLU  HB3    35 ARG  H       4.60 #SUP  2.21
 17 CYSS HB3    21 GLU  HB3     4.12 #SUP  2.00
 22 GLU  HB2    24 ILE  HG13    3.99 #SUP  1.56
 19 LYS  HB2    20 ASN  H       4.36 #SUP  3.81
  8 LYS  H       8 LYS  QB      3.45 #SUP  3.63
  8 LYS  QB      9 LEU  H       4.18 #SUP  5.18
  5 LYS  QB      6 CYSS H       3.81 #SUP  4.63
  5 LYS  H       5 LYS  QB      3.18 #SUP  4.71
  4 GLU  HB2     4 GLU  HG3     2.93 #SUP  3.85
 28 GLN  HB3    29 LYS  QG      4.48 #SUP  4.56
  4 GLU  H       4 GLU  HB3     3.75 #SUP  4.52
  4 GLU  HB3     5 LYS  H       4.47 #SUP  4.30
 29 LYS  QB     30 SER  H       4.17 #SUP  5.03
 29 LYS  QB     31 LEU  H       4.60 #SUP  1.43
 36 THR  HA     37 ILE  H       2.76 #SUP  4.38
 21 GLU  HA     36 THR  HA      3.05 #SUP  2.71
 21 GLU  QG     36 THR  HA      3.38 #SUP  3.07
 36 THR  HA     36 THR  QG2     3.59 #SUP  3.31
 28 GLN  H      28 GLN  HB2     3.42 #SUP  5.24
 28 GLN  H      28 GLN  HB3     3.37 #SUP  5.46
 38 GLN  H      38 GLN  HB2     3.64 #SUP  4.83
 38 GLN  HB2    39 PRO  HD3     4.81 #SUP  2.71
 38 GLN  HB2    38 GLN  HG3     2.56 #SUP  1.97
 10 LYS  HA     10 LYS  QD      4.32 #SUP  4.84
  8 LYS  QB      8 LYS  HD2     3.49 #SUP  2.80
  8 LYS  HD2     9 LEU  QD2     5.39 #SUP  2.71
  8 LYS  HD2     9 LEU  HG      2.40 #SUP  1.88
 22 GLU  H      37 ILE  QG1     4.66 #SUP  1.40
 37 ILE  H      37 ILE  QG1     3.69 #SUP  4.72
 21 GLU  HA     37 ILE  QG1     4.29 #SUP  2.16
 37 ILE  HA     37 ILE  QG1     4.15 #SUP  4.73
 39 PRO  HA     40 SER  H       3.24 #SUP  2.72
 36 THR  HA     37 ILE  QG1     4.87 #SUP  3.54
 37 ILE  HA     38 GLN  H       2.77 #SUP  4.13
 31 LEU  HA     31 LEU  HG      4.07 #SUP  4.71
 23 LEU  HA     23 LEU  HG      4.19 #SUP  5.27
 12 THR  HA     13 CYSS H       2.81 #SUP  4.26
 12 THR  HA     12 THR  QG2     3.56 #SUP  3.78
 44 ILE  HA     44 ILE  QG2     4.08 #SUP  3.37
 24 ILE  H      24 ILE  HG12    4.02 #SUP  5.57
 24 ILE  HG12   25 ALA  H       4.46 #SUP  4.28
 44 ILE  QG2    44 ILE  QG1     3.00 #SUP  2.53
 23 LEU  QD1    33 CYSS H       3.94 #SUP  2.52
 23 LEU  HA     23 LEU  QD1     3.55 #SUP  4.83
 23 LEU  QD1    32 LYS  HA      4.14 #SUP  1.50
 23 LEU  QD1    32 LYS  HB3     3.35 #SUP  2.22
 23 LEU  HB3    23 LEU  QD1     3.74 #SUP  4.59
 24 ILE  HA     24 ILE  QD1     4.46 #SUP  5.69
 44 ILE  HA     45 ASP  H       3.48 #SUP  2.45
 35 ARG  QG     36 THR  H       4.43 #SUP  4.45
 29 LYS  QG     29 LYS  HD3     2.74 #SUP  2.64
  5 LYS  HE3     9 LEU  QD2     5.25 #SUP  0.59
  9 LEU  HA      9 LEU  QD2     3.92 #SUP  5.00
 29 LYS  H      29 LYS  QG      3.95 #SUP  5.13
 23 LEU  QD2    24 ILE  H       4.56 #SUP  5.25
  8 LYS  QE      9 LEU  QD1     5.06 #SUP  2.27
 23 LEU  H      23 LEU  QD2     4.90 #SUP  5.28
 26 LEU  HA     26 LEU  QD1     4.94 #SUP  1.87
 23 LEU  HA     23 LEU  QD2     4.68 #SUP  6.12
 23 LEU  HB2    23 LEU  QD2     3.44 #SUP  5.42
 26 LEU  QB     26 LEU  QD1     4.09 #SUP  3.35
  5 LYS  HA      5 LYS  QB      2.96 #SUP  2.96
  5 LYS  HA      5 LYS  QG      4.03 #SUP  2.08
  3 ASP  HA      4 GLU  HA      4.77 #SUP  3.73
  4 GLU  HA      7 ASN  H       4.05 #SUP  0.75
  4 GLU  HA      7 ASN  HB3     3.40 #SUP  0.75
  4 GLU  HA      4 GLU  HG3     3.67 #SUP  4.04
 32 LYS  HB3    32 LYS  HD2     2.89 #SUP  2.50
  8 LYS  QG      8 LYS  QE      4.18 #SUP  2.92
 10 LYS  HG2    10 LYS  HE2     4.06 #SUP  3.84
 14 LYS  HA     14 LYS  QG      3.89 #SUP  3.62
 44 ILE  H      45 ASP  H       3.73 #SUP  2.16
 34 CYSS H      34 CYSS HB2     4.03 #SUP  2.89
 33 CYSS HB3    34 CYSS H       3.46 #SUP  3.24
 36 THR  QG2    37 ILE  H       3.63 #SUP  3.82
 22 GLU  HA     23 LEU  H       2.79 #SUP  3.07
 22 GLU  HB2    23 LEU  H       3.03 #SUP  3.64
 23 LEU  H      23 LEU  HB3     3.18 #SUP  4.46
 37 ILE  HB     38 GLN  H       4.78 #SUP  4.39
  4 GLU  H       5 LYS  H       3.72 #SUP  4.38
  4 GLU  H       4 GLU  HB2     3.82 #SUP  4.52
 38 GLN  H      38 GLN  HG2     4.06 #SUP  2.99
  2 PHE  HB2     3 ASP  H       4.26 #SUP  1.45
 22 GLU  H      35 ARG  H       3.63 #SUP  1.43
 34 CYSS HB2    35 ARG  H       4.26 #SUP  3.21
 35 ARG  H      35 ARG  HB2     3.59 #SUP  3.65
  2 PHE  H       2 PHE  HB2     3.20 #SUP  3.19
 14 LYS  H      32 LYS  H       3.86 #SUP  1.15
 35 ARG  HA     36 THR  H       2.96 #SUP  3.91
 21 GLU  QG     36 THR  H       3.72 #SUP  1.92
  8 LYS  H       9 LEU  H       3.48 #SUP  4.57
  8 LYS  H       8 LYS  HB2     3.01 #SUP  2.81
  1 PHE  H       1 PHE  HB2     3.60 #SUP  3.42
  1 PHE  H       2 PHE  H       4.26 #SUP  3.45
 23 LEU  HA     24 ILE  H       2.92 #SUP  4.96
 24 ILE  H      24 ILE  HB      3.81 #SUP  5.38
 23 LEU  HG     24 ILE  H       4.96 #SUP  4.45
 31 LEU  QD2    32 LYS  H       4.21 #SUP  4.35
 25 ALA  H      33 CYSS HB3     5.37 #SUP  0.75
 32 LYS  HB2    33 CYSS H       3.68 #SUP  3.56
 30 SER  H      31 LEU  H       3.59 #SUP  3.74
 31 LEU  H      31 LEU  HB2     3.43 #SUP  5.18
 31 LEU  H      31 LEU  HG      3.71 #SUP  5.29
 31 LEU  H      31 LEU  QD1     4.35 #SUP  4.92
  5 LYS  H       5 LYS  HB2     3.05 #SUP  4.10
 19 LYS  H      19 LYS  HB2     3.15 #SUP  4.80
 19 LYS  H      19 LYS  QG      4.21 #SUP  4.51
  4 GLU  HB2     5 LYS  H       4.00 #SUP  4.30
 16 ASN  HA     17 CYSS H       2.94 #SUP  3.52
 17 CYSS H      17 CYSS HB3     3.63 #SUP  2.95
 15 ASN  H      15 ASN  QB      3.54 #SUP  3.02
 14 LYS  HA     15 ASN  H       3.40 #SUP  3.48
 14 LYS  HB2    15 ASN  H       4.31 #SUP  4.71
  9 LEU  H      10 LYS  H       3.17 #SUP  3.97
  8 LYS  HB2     9 LEU  H       3.68 #SUP  4.21
  9 LEU  H       9 LEU  HB2     2.97 #SUP  5.35
  9 LEU  H       9 LEU  QD2     4.16 #SUP  4.99
 22 GLU  H      22 GLU  HB2     4.05 #SUP  3.43
 26 LEU  H      26 LEU  HB2     3.05 #SUP  4.70
 26 LEU  H      26 LEU  QD2     4.77 #SUP  4.57
 21 GLU  HA     22 GLU  H       3.12 #SUP  3.65
 22 GLU  H      22 GLU  QG      3.46 #SUP  2.95
 27 CYSS HA     28 GLN  H       3.36 #SUP  4.34
 28 GLN  H      28 GLN  HG2     3.95 #SUP  3.68
 26 LEU  HA     27 CYSS H       3.44 #SUP  4.27
  5 LYS  H       6 CYSS H       3.43 #SUP  4.34
  5 LYS  HB2     6 CYSS H       3.48 #SUP  3.10
 27 CYSS H      27 CYSS HB2     3.64 #SUP  3.49
 26 LEU  QD2    27 CYSS H       4.23 #SUP  3.89
  7 ASN  H       7 ASN  HB2     3.51 #SUP  1.50
 19 LYS  H      20 ASN  H       4.74 #SUP  4.15
 40 SER  H      40 SER  HB2     3.83 #SUP  1.53
 19 LYS  HA     21 GLU  H       4.66 #SUP  1.31
 21 GLU  H      21 GLU  HB2     3.46 #SUP  3.07
 17 CYSS HB2    21 GLU  H       4.74 #SUP  1.50
 20 ASN  H      21 GLU  H       3.63 #SUP  4.35
 29 LYS  H      30 SER  H       4.59 #SUP  4.11
 27 CYSS HA     29 LYS  H       4.42 #SUP  2.46
 28 GLN  HB2    29 LYS  H       4.09 #SUP  4.34
 16 ASN  HA     16 ASN  HD21    4.71 #SUP  3.08
 15 ASN  HD22   31 LEU  QD2     5.50 #SUP  1.56
 11 GLY  HA2    12 THR  H       3.29 #SUP  2.24
 12 THR  H      12 THR  HB      3.60 #SUP  3.74
 11 GLY  HA3    12 THR  H       3.31 #SUP  2.61
 12 THR  H      12 THR  QG2     4.38 #SUP  4.57
 20 ASN  QB     20 ASN  HD21    3.82 #SUP  3.20
 15 ASN  H      16 ASN  H       3.64 #SUP  5.00
 16 ASN  H      16 ASN  HB2     3.57 #SUP  4.10
 14 LYS  HB3    16 ASN  H       4.24 #SUP  4.13
 14 LYS  HG2    16 ASN  H       4.76 #SUP  2.71
 17 CYSS HA     18 GLY  H       3.29 #SUP  2.33
  9 LEU  HB2    10 LYS  H       4.63 #SUP  3.83
 10 LYS  H      10 LYS  HG2     3.86 #SUP  5.07
 10 LYS  H      10 LYS  HB2     4.10 #SUP  4.19
 40 SER  HA     41 GLY  H       3.47 #SUP  2.42
 29 LYS  HB3    30 SER  H       3.51 #SUP  2.82


# List of ambiguous distance restraints.
#
# Created by Aria 2.0a, Thu May  2 17:34:59 2013
#
# Author:  
# Date:    Fri Apr 19 19:13:31 2013
# Project: hbd6 new
# Run:     17
# Path:    /home/vpaula/Documentos/defensins/hbd6/calculo/run17
#
# Restraints used during calculation: 23
# Violated: 1
#
#
# Abbreviations:
#
# ref_spec: Spectrum name
# ref_no:   Reference peak number (as in spectrum)
# id:       Internal ARIA restraint-id (unique over all spectra)
# active:   yes(no): restraint has (not) been used in the calculation. A restraint is inactive
#           either if it was violated in the last iteration or if it has been merged with
#           another restraint.
                       
# d:        Restaint distance [A], after calibration.
# upper:    Upper bound [A]
# lower:    Lower bound [A]
#
# Statistical quantities which have been calculated with respect to the structures of
# this iteration:
#
# d_avg:    Average distance [A] found in structure ensemble.
# l_viol:   Average lower-bound violation [A].
# u_viol:   Average upper-bound violation [A].
# %_viol:   Percentage of structures in which a restraint was violated.
# viol:     'yes' if the restraint has been violated. 'no' otherwise. Violated restraints
#           will not be used in the subsequent iteration.
#
# a_type:   Assignment type. Valid types are:
#           M (manual):         Restraint stems from existing (complete) cross-peak assignment.
#           S (semi-automatic): Reference cross-peak is only partially assigned. ARIA has
#                               completed the assignment.
#           A (automatic):      Reference cross-peak has not been assigned. ARIA has generated
#                               a list of probable assignments.
#
# n_c:      The number of contributions. (see noe_restraints.assignments for
#           explicit list of contributions).
#
# Statistical quantities are calculated with respect to a 'filtered' ensemble of structures
# (e.g. n lowest energy structures etc.) See  section in project-xml file.
#
# ref_spec  ref_no   id  active     d  lower  upper  d_avg  l_viol  u_viol  %_viol  viol  a_type  n_c  


  NOESY13C      39   38     yes  2.44   1.69   3.18   2.54    0.00    0.00     0.0    no       M    2  
  NOESY13C      40   39     yes  2.51   1.72   3.30   2.01    0.00    0.00     0.0    no       M    3  
  NOESY13C      72   71     yes  2.73   1.80   3.67   3.44    0.00    0.04     0.0    no       M    2  
  NOESY13C     118  117     yes  2.71   1.79   3.63   2.67    0.00    0.02     0.0    no       M    2  
  NOESY13C     123  122     yes  2.77   1.81   3.72   2.59    0.00    0.00     0.0    no       M    2  
  NOESY13C     139  138     yes  2.42   1.69   3.16   2.01    0.00    0.00     0.0    no       M    3  
  NOESY13C     144  143     yes  2.17   1.58   2.76   2.17    0.00    0.00     0.0    no       M    2  
  NOESY13C     196  192     yes  2.63   1.77   3.50   1.97    0.00    0.00     0.0    no       M    2  
  NOESY13C     212  208     yes  2.85   1.84   3.87   3.72    0.00    0.00     0.0    no       M    2  
  NOESY13C     238  234     yes  1.99   1.50   2.49   2.33    0.00    0.05     0.0    no       S    2  
  NOESY13C     248  244     yes  2.73   1.80   3.66   2.78    0.00    0.00     0.0    no       M    2  
  NOESY13C     299  295     yes  2.17   1.58   2.77   2.36    0.00    0.00     0.0    no       M    2  
  NOESY13C     330  326     yes  2.76   1.81   3.71   3.45    0.00    0.00     0.0    no       M    2  
  NOESY13C     439  435     yes  2.71   1.79   3.63   2.78    0.00    0.00     0.0    no       M    2  
  NOESY13C     495  488     yes  2.26   1.62   2.90   2.20    0.00    0.00     0.0    no       M    2  
  NOESY13C     499  492     yes  3.19   1.92   4.47   3.73    0.00    0.00     0.0    no       M    2  
  NOESY15N      26  529     yes  3.26   1.93   4.58   3.31    0.00    0.00     0.0    no       M    2  
  NOESY15N     102  605     yes  2.35   1.66   3.03   2.47    0.00    0.00     0.0    no       M    2  
  NOESY15N     125  628     yes  3.06   1.89   4.22   3.99    0.00    0.00     0.0    no       M    2  
  NOESY15N     155  658     yes  2.91   1.85   3.98   3.39    0.00    0.00     0.0    no       M    2  
  NOESY15N     190  693     yes  2.60   1.75   3.44   3.54    0.00    0.10    71.4   yes       M    2  
  NOESY15N     218  721     yes  2.58   1.75   3.41   3.34    0.00    0.00     0.0    no       M    2  
  NOESY15N     220  723     yes  3.01   1.88   4.15   3.33    0.00    0.00     0.0    no       M    2  
  NOESY13C      90   89      no  2.46   1.70   3.22   5.63    0.00    2.42   100.0   yes       M    2  
  NOESY13C     346  342      no  2.80   1.82   3.78   4.91    0.00    1.13   100.0   yes       M    2  
  NOESY13C     427  423      no  2.79   1.82   3.76   7.15    0.00    3.40   100.0   yes       M    3  
  NOESY13C     479  473      no  2.75   1.80   3.69   4.14    0.00    0.45   100.0   yes       M    2  
  NOESY13C     505  498      no  2.94   1.86   4.02   4.40    0.00    0.38   100.0   yes       M    2  
  NOESY15N     187  690      no  2.82   1.82   3.81   5.54    0.00    1.74   100.0   yes       S    2  



# List of unambiguous distance restraints.
#
# Created by Aria 2.0a, Thu May  2 17:34:59 2013
#
# Author:  
# Date:    Fri Apr 19 19:13:31 2013
# Project: hbd6 new
# Run:     17
# Path:    /home/vpaula/Documentos/defensins/hbd6/calculo/run17
#
# Restraints used during calculation: 453
# Violated: 2
#
#
# Abbreviations:
#
# ref_spec: Spectrum name
# ref_no:   Reference peak number (as in spectrum)
# id:       Internal ARIA restraint-id (unique over all spectra)
# active:   yes(no): restraint has (not) been used in the calculation. A restraint is inactive
#           either if it was violated in the last iteration or if it has been merged with
#           another restraint.
                       
# d:        Restaint distance [A], after calibration.
# upper:    Upper bound [A]
# lower:    Lower bound [A]
#
# Statistical quantities which have been calculated with respect to the structures of
# this iteration:
#
# d_avg:    Average distance [A] found in structure ensemble.
# l_viol:   Average lower-bound violation [A].
# u_viol:   Average upper-bound violation [A].
# %_viol:   Percentage of structures in which a restraint was violated.
# viol:     'yes' if the restraint has been violated. 'no' otherwise. Violated restraints
#           will not be used in the subsequent iteration.
#
# a_type:   Assignment type. Valid types are:
#           M (manual):         Restraint stems from existing (complete) cross-peak assignment.
#           S (semi-automatic): Reference cross-peak is only partially assigned. ARIA has
#                               completed the assignment.
#           A (automatic):      Reference cross-peak has not been assigned. ARIA has generated
#                               a list of probable assignments.
#
# sep:      sequence separation s: I:      s == 0  (intra-residual)
#                                  Q:      s == 1  (sequential)        
#                                  S: 2 <= s <= 3  (short)
#                                  M: 4 <= s <= 5  (medium)
#                                  L:      s >  5  (long)
#                                  i: inter-monomer
# 
# All statistical quantities are calculated with respect to a 'filtered' ensemble of structures
# (e.g. n-lowest energy structures etc). See also  section in project-xml file.
#
# ref_spec  ref_no   id  active     d  lower  upper  d_avg  l_viol  u_viol  %_viol  viol  a_type  sep  


  NOESY13C       2    1     yes  2.46   1.70   3.22   2.56    0.00    0.00     0.0    no       M    I  
  NOESY13C       3    2     yes  2.76   1.81   3.72   3.53    0.00    0.05     0.0    no       M    Q  
  NOESY13C       4    3     yes  2.44   1.69   3.18   2.92    0.00    0.00     0.0    no       M    I  
  NOESY13C       5    4     yes  2.57   1.75   3.40   2.68    0.00    0.00     0.0    no       M    I  
  NOESY13C       6    5     yes  2.56   1.74   3.38   2.50    0.00    0.00     0.0    no       M    I  
  NOESY13C       7    6     yes  2.71   1.79   3.62   2.79    0.00    0.00     0.0    no       M    I  
  NOESY13C       8    7     yes  2.69   1.78   3.59   3.61    0.00    0.03     0.0    no       M    S  
  NOESY13C       9    8     yes  2.70   1.79   3.61   3.15    0.00    0.09     0.0    no       M    I  
  NOESY13C      10    9     yes  2.30   1.64   2.96   2.21    0.00    0.00     0.0    no       M    I  
  NOESY13C      12   11     yes  2.77   1.81   3.72   3.00    0.00    0.00     0.0    no       M    M  
  NOESY13C      13   12     yes  2.76   1.81   3.72   2.35    0.00    0.00     0.0    no       M    L  
  NOESY13C      14   13     yes  1.95   1.47   2.43   1.75    0.00    0.00     0.0    no       M    I  
  NOESY13C      16   15     yes  2.46   1.70   3.21   2.53    0.00    0.00     0.0    no       M    Q  
  NOESY13C      17   16     yes  2.63   1.77   3.50   3.01    0.00    0.00     0.0    no       M    I  
  NOESY13C      18   17     yes  2.66   1.78   3.55   3.31    0.00    0.10    14.3    no       M    I  
  NOESY13C      19   18     yes  2.24   1.61   2.87   2.12    0.00    0.00     0.0    no       M    I  
  NOESY13C      20   19     yes  2.04   1.52   2.56   2.15    0.00    0.00     0.0    no       M    Q  
  NOESY13C      23   22     yes  2.99   1.87   4.11   3.80    0.00    0.00     0.0    no       M    L  
  NOESY13C      24   23     yes  2.05   1.53   2.58   1.76    0.00    0.00     0.0    no       M    I  
  NOESY13C      25   24     yes  2.69   1.78   3.59   2.61    0.00    0.00     0.0    no       M    I  
  NOESY13C      26   25     yes  2.60   1.76   3.45   2.58    0.00    0.00     0.0    no       M    I  
  NOESY13C      28   27     yes  2.22   1.60   2.84   2.89    0.00    0.05     0.0    no       M    L  
  NOESY13C      30   29     yes  2.43   1.69   3.17   3.02    0.00    0.00     0.0    no       M    I  
  NOESY13C      31   30     yes  2.16   1.58   2.75   2.52    0.00    0.00     0.0    no       M    I  
  NOESY13C      32   31     yes  2.94   1.86   4.01   3.54    0.00    0.03     0.0    no       M    I  
  NOESY13C      33   32     yes  2.37   1.67   3.07   2.53    0.00    0.00     0.0    no       M    I  
  NOESY13C      34   33     yes  2.09   1.54   2.63   2.27    0.00    0.00     0.0    no       M    I  
  NOESY13C      41   40     yes  2.48   1.71   3.24   2.53    0.00    0.00     0.0    no       M    I  
  NOESY13C      42   41     yes  2.31   1.64   2.98   3.02    0.00    0.04     0.0    no       M    I  
  NOESY13C      44   43     yes  2.30   1.64   2.97   2.61    0.00    0.00     0.0    no       M    I  
  NOESY13C      45   44     yes  2.17   1.58   2.76   2.31    0.00    0.00     0.0    no       M    I  
  NOESY13C      47   46     yes  2.90   1.85   3.96   3.74    0.00    0.00     0.0    no       M    I  
  NOESY13C      49   48     yes  2.86   1.84   3.88   3.92    0.00    0.04     0.0    no       M    L  
  NOESY13C      51   50     yes  2.66   1.78   3.55   2.23    0.00    0.00     0.0    no       M    I  
  NOESY13C      52   51     yes  2.47   1.71   3.23   2.65    0.00    0.00     0.0    no       M    Q  
  NOESY13C      53   52     yes  2.75   1.80   3.70   3.13    0.00    0.00     0.0    no       M    I  
  NOESY13C      54   53     yes  2.36   1.66   3.06   2.86    0.00    0.00     0.0    no       M    I  
  NOESY13C      56   55     yes  2.30   1.64   2.96   2.44    0.00    0.00     0.0    no       M    I  
  NOESY13C      57   56     yes  2.55   1.74   3.37   3.19    0.00    0.03     0.0    no       M    L  
  NOESY13C      58   57     yes  2.26   1.62   2.89   2.13    0.00    0.00     0.0    no       M    I  
  NOESY13C      60   59     yes  2.33   1.65   3.01   2.61    0.00    0.00     0.0    no       M    I  
  NOESY13C      62   61     yes  2.51   1.72   3.30   2.73    0.00    0.00     0.0    no       M    I  
  NOESY13C      63   62     yes  2.20   1.59   2.80   2.18    0.00    0.00     0.0    no       M    Q  
  NOESY13C      65   64     yes  2.39   1.68   3.10   2.55    0.00    0.00     0.0    no       M    I  
  NOESY13C      66   65     yes  2.49   1.71   3.26   2.54    0.00    0.00     0.0    no       M    Q  
  NOESY13C      67   66     yes  2.57   1.74   3.39   2.48    0.00    0.00     0.0    no       M    I  
  NOESY13C      68   67     yes  3.11   1.90   4.33   3.99    0.00    0.00     0.0    no       M    I  
  NOESY13C      70   69     yes  2.72   1.80   3.65   2.61    0.00    0.00     0.0    no       M    I  
  NOESY13C      73   72     yes  3.00   1.87   4.12   3.71    0.00    0.00     0.0    no       M    I  
  NOESY13C      74   73     yes  2.96   1.86   4.05   3.71    0.00    0.00     0.0    no       M    I  
  NOESY13C      75   74     yes  2.84   1.83   3.86   2.42    0.00    0.00     0.0    no       M    I  
  NOESY13C      76   75     yes  2.73   1.80   3.67   2.80    0.00    0.00     0.0    no       M    I  
  NOESY13C      77   76     yes  2.54   1.73   3.34   2.61    0.00    0.00     0.0    no       M    I  
  NOESY13C      78   77     yes  2.28   1.63   2.93   2.48    0.00    0.00     0.0    no       M    I  
  NOESY13C      80   79     yes  2.91   1.85   3.98   3.53    0.00    0.00     0.0    no       M    I  
  NOESY13C      81   80     yes  2.58   1.75   3.42   2.79    0.00    0.00     0.0    no       M    I  
  NOESY13C      82   81     yes  3.34   1.94   4.73   3.48    0.00    0.00     0.0    no       M    Q  
  NOESY13C      83   82     yes  2.86   1.84   3.88   3.02    0.00    0.00     0.0    no       M    I  
  NOESY13C      84   83     yes  2.60   1.75   3.44   2.60    0.00    0.00     0.0    no       M    I  
  NOESY13C      86   85     yes  1.94   1.47   2.41   2.31    0.00    0.00     0.0    no       M    I  
  NOESY13C      88   87     yes  2.47   1.71   3.23   3.02    0.00    0.00     0.0    no       M    I  
  NOESY13C      92   91     yes  2.33   1.65   3.01   3.00    0.00    0.01     0.0    no       M    I  
  NOESY13C      93   92     yes  2.35   1.66   3.04   2.50    0.00    0.00     0.0    no       M    I  
  NOESY13C      94   93     yes  2.13   1.56   2.70   2.05    0.00    0.00     0.0    no       M    I  
  NOESY13C      96   95     yes  2.15   1.57   2.72   2.04    0.00    0.00     0.0    no       M    L  
  NOESY13C     100   99     yes  2.65   1.77   3.53   2.83    0.00    0.00     0.0    no       M    I  
  NOESY13C     101  100     yes  2.78   1.82   3.75   2.00    0.00    0.00     0.0    no       M    L  
  NOESY13C     102  101     yes  2.05   1.52   2.58   2.27    0.00    0.00     0.0    no       M    I  
  NOESY13C     105  104     yes  2.27   1.63   2.92   2.12    0.00    0.00     0.0    no       M    I  
  NOESY13C     109  108     yes  2.51   1.72   3.30   2.60    0.00    0.00     0.0    no       M    I  
  NOESY13C     110  109     yes  2.41   1.68   3.13   2.50    0.00    0.06     0.0    no       M    I  
  NOESY13C     111  110     yes  2.07   1.53   2.60   2.24    0.00    0.00     0.0    no       M    Q  
  NOESY13C     113  112     yes  3.02   1.88   4.16   2.92    0.00    0.00     0.0    no       M    I  
  NOESY13C     116  115     yes  2.19   1.59   2.79   2.13    0.00    0.00     0.0    no       M    I  
  NOESY13C     119  118     yes  2.91   1.85   3.98   3.04    0.00    0.00     0.0    no       M    L  
  NOESY13C     120  119     yes  2.55   1.74   3.35   2.55    0.00    0.00     0.0    no       M    I  
  NOESY13C     122  121     yes  2.64   1.77   3.52   3.49    0.00    0.03     0.0    no       M    S  
  NOESY13C     124  123     yes  2.41   1.68   3.14   2.72    0.00    0.00     0.0    no       M    I  
  NOESY13C     125  124     yes  2.96   1.87   4.06   2.83    0.00    0.00     0.0    no       M    I  
  NOESY13C     127  126     yes  3.28   1.94   4.63   4.56    0.00    0.01     0.0    no       M    M  
  NOESY13C     130  129     yes  2.99   1.87   4.10   4.19    0.00    0.09    14.3    no       M    S  
  NOESY13C     131  130     yes  2.87   1.84   3.90   3.62    0.00    0.00     0.0    no       M    I  
  NOESY13C     132  131     yes  2.57   1.74   3.39   2.37    0.00    0.00     0.0    no       M    I  
  NOESY13C     134  133     yes  2.59   1.75   3.42   3.49    0.00    0.07     0.0    no       M    S  
  NOESY13C     135  134     yes  2.78   1.81   3.75   2.78    0.00    0.00     0.0    no       M    I  
  NOESY13C     136  135     yes  2.45   1.70   3.21   2.49    0.00    0.02     0.0    no       M    L  
  NOESY13C     137  136     yes  2.90   1.85   3.96   3.80    0.00    0.00     0.0    no       M    I  
  NOESY13C     146  145     yes  2.34   1.65   3.02   2.15    0.00    0.00     0.0    no       M    Q  
  NOESY13C     147  146     yes  2.61   1.76   3.46   2.79    0.00    0.00     0.0    no       M    I  
  NOESY13C     148  147     yes  2.62   1.76   3.48   2.38    0.00    0.00     0.0    no       M    I  
  NOESY13C     149  148     yes  2.09   1.54   2.63   2.64    0.00    0.07    28.6    no       M    L  
  NOESY13C     151  150     yes  2.13   1.56   2.70   2.59    0.00    0.02     0.0    no       M    I  
  NOESY13C     154  153     yes  2.73   1.80   3.66   2.94    0.00    0.00     0.0    no       M    I  
  NOESY13C     155  154     yes  2.19   1.59   2.80   2.34    0.00    0.00     0.0    no       M    Q  
  NOESY13C     156  155     yes  2.72   1.80   3.65   2.54    0.00    0.00     0.0    no       M    M  
  NOESY13C     157  156     yes  2.53   1.73   3.33   2.99    0.00    0.00     0.0    no       M    I  
  NOESY13C     158  157     yes  2.30   1.64   2.96   2.57    0.00    0.05     0.0    no       M    I  
  NOESY13C     159  158     yes  2.47   1.71   3.23   2.84    0.00    0.00     0.0    no       M    I  
  NOESY13C     160  159     yes  2.10   1.55   2.65   2.50    0.00    0.00     0.0    no       M    Q  
  NOESY13C     164  160     yes  2.77   1.81   3.73   2.57    0.00    0.05     0.0    no       M    I  
  NOESY13C     165  161     yes  2.56   1.74   3.39   2.89    0.00    0.00     0.0    no       M    I  
  NOESY13C     166  162     yes  1.83   1.41   2.25   1.76    0.00    0.00     0.0    no       M    I  
  NOESY13C     167  163     yes  2.86   1.84   3.89   3.58    0.00    0.00     0.0    no       M    I  
  NOESY13C     169  165     yes  2.62   1.76   3.48   2.39    0.00    0.00     0.0    no       M    L  
  NOESY13C     170  166     yes  2.81   1.82   3.80   2.34    0.00    0.00     0.0    no       M    I  
  NOESY13C     172  168     yes  1.93   1.46   2.39   1.76    0.00    0.00     0.0    no       M    I  
  NOESY13C     177  173     yes  2.70   1.79   3.60   3.32    0.00    0.10    28.6    no       M    Q  
  NOESY13C     178  174     yes  2.70   1.79   3.60   3.47    0.00    0.05     0.0    no       M    I  
  NOESY13C     181  177     yes  3.15   1.91   4.40   2.94    0.00    0.00     0.0    no       M    I  
  NOESY13C     182  178     yes  1.85   1.42   2.28   1.76    0.00    0.00     0.0    no       M    I  
  NOESY13C     183  179     yes  2.64   1.77   3.51   2.62    0.00    0.00     0.0    no       M    I  
  NOESY13C     184  180     yes  2.49   1.71   3.26   2.60    0.00    0.00     0.0    no       M    Q  
  NOESY13C     185  181     yes  2.72   1.80   3.64   3.01    0.00    0.00     0.0    no       M    I  
  NOESY13C     187  183     yes  2.43   1.69   3.17   2.58    0.00    0.00     0.0    no       M    I  
  NOESY13C     189  185     yes  2.23   1.61   2.85   2.38    0.00    0.00     0.0    no       M    Q  
  NOESY13C     190  186     yes  2.74   1.80   3.67   2.84    0.00    0.00     0.0    no       M    I  
  NOESY13C     191  187     yes  2.33   1.65   3.00   3.02    0.00    0.02     0.0    no       M    I  
  NOESY13C     193  189     yes  2.69   1.79   3.59   2.83    0.00    0.00     0.0    no       M    I  
  NOESY13C     194  190     yes  2.38   1.67   3.09   2.97    0.00    0.07     0.0    no       M    L  
  NOESY13C     195  191     yes  2.69   1.79   3.59   3.24    0.00    0.00     0.0    no       M    I  
  NOESY13C     197  193     yes  2.90   1.85   3.94   3.21    0.00    0.00     0.0    no       M    I  
  NOESY13C     198  194     yes  3.14   1.91   4.37   3.37    0.00    0.00     0.0    no       M    I  
  NOESY13C     199  195     yes  2.65   1.77   3.52   2.57    0.00    0.00     0.0    no       M    S  
  NOESY13C     200  196     yes  2.36   1.67   3.06   2.54    0.00    0.00     0.0    no       M    I  
  NOESY13C     201  197     yes  2.91   1.85   3.97   2.18    0.00    0.00     0.0    no       M    I  
  NOESY13C     202  198     yes  3.18   1.92   4.45   3.50    0.00    0.00     0.0    no       M    Q  
  NOESY13C     203  199     yes  2.62   1.76   3.49   2.86    0.00    0.00     0.0    no       M    I  
  NOESY13C     204  200     yes  2.52   1.73   3.32   3.34    0.00    0.08     0.0    no       M    S  
  NOESY13C     205  201     yes  2.65   1.77   3.53   3.56    0.00    0.03    14.3    no       M    S  
  NOESY13C     207  203     yes  2.35   1.66   3.04   2.51    0.00    0.00     0.0    no       M    I  
  NOESY13C     208  204     yes  2.18   1.58   2.77   2.31    0.00    0.00     0.0    no       M    Q  
  NOESY13C     209  205     yes  2.09   1.54   2.63   2.12    0.00    0.00     0.0    no       M    I  
  NOESY13C     210  206     yes  2.32   1.65   2.99   1.98    0.00    0.00     0.0    no       M    L  
  NOESY13C     211  207     yes  2.63   1.76   3.49   2.65    0.00    0.00     0.0    no       M    L  
  NOESY13C     213  209     yes  2.18   1.58   2.77   2.12    0.00    0.00     0.0    no       M    Q  
  NOESY13C     214  210     yes  2.66   1.78   3.55   2.84    0.00    0.00     0.0    no       M    I  
  NOESY13C     215  211     yes  2.73   1.80   3.66   3.30    0.00    0.10    28.6    no       M    I  
  NOESY13C     216  212     yes  2.49   1.71   3.26   3.03    0.00    0.05     0.0    no       M    Q  
  NOESY13C     218  214     yes  2.17   1.58   2.76   2.53    0.00    0.00     0.0    no       M    I  
  NOESY13C     219  215     yes  2.88   1.84   3.92   2.69    0.00    0.00     0.0    no       M    I  
  NOESY13C     220  216     yes  2.50   1.72   3.28   2.58    0.00    0.00     0.0    no       M    I  
  NOESY13C     221  217     yes  2.61   1.76   3.45   2.52    0.00    0.00     0.0    no       M    I  
  NOESY13C     222  218     yes  2.30   1.64   2.96   2.42    0.00    0.00     0.0    no       M    I  
  NOESY13C     223  219     yes  1.94   1.47   2.41   1.76    0.00    0.00     0.0    no       M    I  
  NOESY13C     224  220     yes  2.48   1.71   3.24   2.55    0.00    0.00     0.0    no       M    I  
  NOESY13C     225  221     yes  2.45   1.70   3.20   2.49    0.00    0.00     0.0    no       M    I  
  NOESY13C     228  224     yes  2.42   1.69   3.15   2.68    0.00    0.00     0.0    no       M    I  
  NOESY13C     232  228     yes  2.43   1.69   3.17   3.01    0.00    0.00     0.0    no       M    I  
  NOESY13C     233  229     yes  2.33   1.65   3.00   2.57    0.00    0.00     0.0    no       M    I  
  NOESY13C     235  231     yes  2.96   1.87   4.06   3.02    0.00    0.03     0.0    no       M    L  
  NOESY13C     237  233     yes  2.53   1.73   3.33   2.56    0.00    0.00     0.0    no       M    L  
  NOESY13C     239  235     yes  2.22   1.60   2.83   2.11    0.00    0.00     0.0    no       M    I  
  NOESY13C     240  236     yes  2.97   1.87   4.07   3.36    0.00    0.00     0.0    no       M    I  
  NOESY13C     241  237     yes  2.48   1.71   3.25   2.54    0.00    0.00     0.0    no       M    I  
  NOESY13C     242  238     yes  2.58   1.75   3.42   3.10    0.00    0.07    14.3    no       M    I  
  NOESY13C     243  239     yes  3.00   1.87   4.12   3.96    0.00    0.04     0.0    no       M    L  
  NOESY13C     244  240     yes  2.49   1.72   3.27   2.76    0.00    0.00     0.0    no       S    I  
  NOESY13C     246  242     yes  2.49   1.71   3.26   2.59    0.00    0.03     0.0    no       M    Q  
  NOESY13C     247  243     yes  2.64   1.77   3.50   2.68    0.00    0.00     0.0    no       M    I  
  NOESY13C     251  247     yes  2.40   1.68   3.11   2.56    0.00    0.00     0.0    no       M    I  
  NOESY13C     253  249     yes  2.56   1.74   3.39   3.02    0.00    0.00     0.0    no       M    I  
  NOESY13C     254  250     yes  2.38   1.67   3.09   2.16    0.00    0.00     0.0    no       M    Q  
  NOESY13C     255  251     yes  2.62   1.76   3.49   2.75    0.00    0.00     0.0    no       M    I  
  NOESY13C     256  252     yes  2.49   1.71   3.26   3.18    0.00    0.04     0.0    no       M    M  
  NOESY13C     257  253     yes  2.92   1.85   3.98   3.99    0.00    0.04     0.0    no       M    M  
  NOESY13C     258  254     yes  2.58   1.75   3.41   2.57    0.00    0.00     0.0    no       M    I  
  NOESY13C     260  256     yes  2.92   1.86   3.99   3.54    0.00    0.00     0.0    no       M    I  
  NOESY13C     261  257     yes  1.86   1.43   2.30   1.76    0.00    0.00     0.0    no       M    I  
  NOESY13C     262  258     yes  2.34   1.66   3.03   2.29    0.00    0.00     0.0    no       M    M  
  NOESY13C     263  259     yes  2.61   1.76   3.46   2.43    0.00    0.00     0.0    no       M    M  
  NOESY13C     264  260     yes  2.41   1.68   3.13   2.45    0.00    0.00     0.0    no       M    I  
  NOESY13C     265  261     yes  2.73   1.80   3.66   3.27    0.00    0.00     0.0    no       M    Q  
  NOESY13C     269  265     yes  2.31   1.64   2.97   2.36    0.00    0.00     0.0    no       M    I  
  NOESY13C     270  266     yes  2.58   1.75   3.42   2.40    0.00    0.00     0.0    no       M    Q  
  NOESY13C     273  269     yes  3.07   1.89   4.25   4.33    0.00    0.09    28.6    no       M    Q  
  NOESY13C     276  272     yes  2.17   1.58   2.76   2.47    0.00    0.00     0.0    no       M    Q  
  NOESY13C     277  273     yes  2.54   1.73   3.35   2.86    0.00    0.00     0.0    no       M    I  
  NOESY13C     278  274     yes  2.57   1.74   3.40   2.41    0.00    0.00     0.0    no       M    L  
  NOESY13C     280  276     yes  2.53   1.73   3.34   2.79    0.00    0.00     0.0    no       M    I  
  NOESY13C     281  277     yes  2.33   1.65   3.01   2.59    0.00    0.00     0.0    no       M    I  
  NOESY13C     282  278     yes  2.72   1.80   3.65   2.99    0.00    0.00     0.0    no       M    I  
  NOESY13C     283  279     yes  2.45   1.70   3.20   2.76    0.00    0.00     0.0    no       M    S  
  NOESY13C     284  280     yes  2.53   1.73   3.32   3.07    0.00    0.02     0.0    no       M    S  
  NOESY13C     285  281     yes  2.53   1.73   3.33   2.80    0.00    0.00     0.0    no       M    I  
  NOESY13C     286  282     yes  2.23   1.61   2.85   2.47    0.00    0.00     0.0    no       M    I  
  NOESY13C     287  283     yes  2.86   1.84   3.89   2.97    0.00    0.00     0.0    no       M    I  
  NOESY13C     288  284     yes  2.57   1.74   3.39   2.59    0.00    0.00     0.0    no       M    I  
  NOESY13C     289  285     yes  2.65   1.77   3.53   2.42    0.00    0.00     0.0    no       M    I  
  NOESY13C     291  287     yes  2.70   1.79   3.60   3.02    0.00    0.00     0.0    no       M    I  
  NOESY13C     292  288     yes  2.13   1.56   2.69   2.14    0.00    0.00     0.0    no       M    Q  
  NOESY13C     293  289     yes  2.93   1.86   3.99   3.53    0.00    0.00     0.0    no       M    L  
  NOESY13C     295  291     yes  2.20   1.59   2.80   2.14    0.00    0.00     0.0    no       M    I  
  NOESY13C     297  293     yes  2.67   1.78   3.57   3.22    0.00    0.00     0.0    no       M    Q  
  NOESY13C     301  297     yes  2.39   1.67   3.10   2.85    0.00    0.00     0.0    no       M    I  
  NOESY13C     302  298     yes  2.18   1.59   2.78   2.28    0.00    0.00     0.0    no       M    I  
  NOESY13C     304  300     yes  2.36   1.66   3.06   2.56    0.00    0.00     0.0    no       M    M  
  NOESY13C     306  302     yes  2.82   1.83   3.81   3.01    0.00    0.00     0.0    no       M    I  
  NOESY13C     309  305     yes  2.97   1.87   4.08   3.90    0.00    0.01     0.0    no       M    M  
  NOESY13C     311  307     yes  3.02   1.88   4.17   4.18    0.00    0.02     0.0    no       M    M  
  NOESY13C     316  312     yes  2.59   1.75   3.43   2.28    0.00    0.00     0.0    no       M    I  
  NOESY13C     317  313     yes  2.51   1.72   3.29   2.72    0.00    0.00     0.0    no       M    I  
  NOESY13C     321  317     yes  2.41   1.69   3.14   2.84    0.00    0.00     0.0    no       M    I  
  NOESY13C     322  318     yes  2.45   1.70   3.21   2.98    0.00    0.04     0.0    no       M    Q  
  NOESY13C     323  319     yes  2.86   1.84   3.88   2.53    0.00    0.00     0.0    no       M    I  
  NOESY13C     324  320     yes  1.85   1.42   2.27   1.75    0.00    0.00     0.0    no       M    I  
  NOESY13C     327  323     yes  2.63   1.76   3.49   2.95    0.00    0.00     0.0    no       M    I  
  NOESY13C     328  324     yes  2.34   1.66   3.02   2.97    0.00    0.02     0.0    no       M    I  
  NOESY13C     329  325     yes  2.62   1.76   3.48   2.46    0.00    0.00     0.0    no       M    I  
  NOESY13C     331  327     yes  2.38   1.67   3.09   2.33    0.00    0.00     0.0    no       M    I  
  NOESY13C     332  328     yes  2.57   1.74   3.39   3.19    0.00    0.31    14.3    no       M    I  
  NOESY13C     333  329     yes  2.39   1.68   3.11   2.24    0.00    0.00     0.0    no       M    Q  
  NOESY13C     334  330     yes  2.29   1.63   2.94   2.49    0.00    0.00     0.0    no       M    I  
  NOESY13C     339  335     yes  2.68   1.78   3.57   2.67    0.00    0.00     0.0    no       M    L  
  NOESY13C     340  336     yes  2.25   1.62   2.88   2.60    0.00    0.00     0.0    no       M    I  
  NOESY13C     341  337     yes  2.38   1.67   3.08   3.06    0.00    0.02     0.0    no       M    S  
  NOESY13C     342  338     yes  1.98   1.49   2.47   2.12    0.00    0.00     0.0    no       M    I  
  NOESY13C     344  340     yes  2.46   1.70   3.22   2.87    0.00    0.00     0.0    no       M    I  
  NOESY13C     347  343     yes  2.68   1.78   3.58   2.70    0.00    0.02     0.0    no       M    L  
  NOESY13C     348  344     yes  2.64   1.77   3.51   3.00    0.00    0.00     0.0    no       M    I  
  NOESY13C     350  346     yes  2.92   1.86   3.99   3.80    0.00    0.06     0.0    no       M    L  
  NOESY13C     351  347     yes  2.23   1.61   2.84   2.70    0.00    0.01     0.0    no       M    I  
  NOESY13C     353  349     yes  2.65   1.77   3.52   2.33    0.00    0.00     0.0    no       M    L  
  NOESY13C     355  351     yes  2.60   1.75   3.44   2.52    0.00    0.00     0.0    no       M    I  
  NOESY13C     356  352     yes  2.72   1.80   3.65   3.60    0.00    0.04    14.3    no       M    L  
  NOESY13C     357  353     yes  1.86   1.43   2.29   1.76    0.00    0.00     0.0    no       M    I  
  NOESY13C     358  354     yes  2.64   1.77   3.51   3.17    0.00    0.08     0.0    no       M    I  
  NOESY13C     359  355     yes  2.96   1.86   4.05   4.02    0.00    0.03     0.0    no       M    L  
  NOESY13C     361  357     yes  2.26   1.62   2.90   2.88    0.00    0.06    14.3    no       M    Q  
  NOESY13C     362  358     yes  2.43   1.69   3.17   3.02    0.00    0.00     0.0    no       M    I  
  NOESY13C     363  359     yes  2.73   1.80   3.66   3.55    0.00    0.00     0.0    no       M    S  
  NOESY13C     364  360     yes  2.49   1.72   3.27   2.67    0.00    0.00     0.0    no       M    I  
  NOESY13C     365  361     yes  2.96   1.87   4.06   2.72    0.00    0.00     0.0    no       M    I  
  NOESY13C     366  362     yes  2.60   1.76   3.45   2.84    0.00    0.00     0.0    no       M    I  
  NOESY13C     367  363     yes  2.04   1.52   2.57   2.45    0.00    0.00     0.0    no       M    I  
  NOESY13C     368  364     yes  2.74   1.80   3.68   2.48    0.00    0.00     0.0    no       M    I  
  NOESY13C     372  368     yes  2.84   1.83   3.85   3.90    0.00    0.06    14.3    no       M    L  
  NOESY13C     373  369     yes  2.78   1.81   3.75   3.02    0.00    0.00     0.0    no       M    I  
  NOESY13C     374  370     yes  2.55   1.74   3.37   2.46    0.00    0.00     0.0    no       M    I  
  NOESY13C     375  371     yes  2.54   1.73   3.35   2.58    0.00    0.00     0.0    no       M    L  
  NOESY13C     376  372     yes  2.55   1.74   3.37   2.56    0.00    0.00     0.0    no       M    I  
  NOESY13C     378  374     yes  2.81   1.82   3.79   3.74    0.00    0.00     0.0    no       M    I  
  NOESY13C     379  375     yes  2.70   1.79   3.61   3.71    0.00    0.10    57.1   yes       M    I  
  NOESY13C     380  376     yes  2.75   1.81   3.70   3.56    0.00    0.00     0.0    no       M    I  
  NOESY13C     381  377     yes  2.84   1.83   3.84   3.62    0.00    0.03     0.0    no       M    L  
  NOESY13C     382  378     yes  2.63   1.77   3.50   3.01    0.00    0.05     0.0    no       M    L  
  NOESY13C     383  379     yes  2.17   1.58   2.76   2.22    0.00    0.00     0.0    no       M    I  
  NOESY13C     384  380     yes  2.11   1.55   2.66   2.12    0.00    0.00     0.0    no       S    I  
  NOESY13C     385  381     yes  2.92   1.86   3.99   3.91    0.00    0.02     0.0    no       M    Q  
  NOESY13C     388  384     yes  3.05   1.89   4.22   3.26    0.00    0.00     0.0    no       M    Q  
  NOESY13C     392  388     yes  2.50   1.72   3.29   2.64    0.00    0.00     0.0    no       M    I  
  NOESY13C     393  389     yes  2.86   1.84   3.89   2.92    0.01    0.00     0.0    no       M    Q  
  NOESY13C     394  390     yes  2.89   1.85   3.94   3.62    0.00    0.00     0.0    no       M    L  
  NOESY13C     395  391     yes  2.50   1.72   3.28   2.22    0.00    0.00     0.0    no       M    L  
  NOESY13C     397  393     yes  2.57   1.75   3.40   2.48    0.00    0.00     0.0    no       M    I  
  NOESY13C     398  394     yes  2.53   1.73   3.34   2.93    0.00    0.00     0.0    no       M    I  
  NOESY13C     399  395     yes  2.76   1.81   3.72   2.45    0.00    0.00     0.0    no       M    I  
  NOESY13C     403  399     yes  2.43   1.69   3.17   3.15    0.00    0.01     0.0    no       M    I  
  NOESY13C     406  402     yes  2.85   1.84   3.87   3.21    0.00    0.00     0.0    no       M    L  
  NOESY13C     407  403     yes  3.03   1.88   4.19   3.83    0.00    0.00     0.0    no       M    Q  
  NOESY13C     414  410     yes  2.78   1.82   3.75   3.69    0.00    0.01     0.0    no       M    M  
  NOESY13C     417  413     yes  2.54   1.73   3.34   2.77    0.00    0.00     0.0    no       M    I  
  NOESY13C     418  414     yes  2.29   1.64   2.95   2.74    0.00    0.00     0.0    no       M    Q  
  NOESY13C     419  415     yes  2.28   1.63   2.93   2.44    0.00    0.00     0.0    no       M    I  
  NOESY13C     420  416     yes  2.37   1.67   3.07   2.09    0.00    0.00     0.0    no       M    L  
  NOESY13C     421  417     yes  2.40   1.68   3.11   2.33    0.00    0.00     0.0    no       M    I  
  NOESY13C     422  418     yes  2.56   1.74   3.38   2.88    0.00    0.00     0.0    no       M    I  
  NOESY13C     423  419     yes  2.03   1.52   2.55   2.17    0.00    0.00     0.0    no       M    Q  
  NOESY13C     424  420     yes  2.23   1.61   2.86   2.65    0.00    0.00     0.0    no       M    L  
  NOESY13C     426  422     yes  2.18   1.58   2.77   2.13    0.00    0.00     0.0    no       M    I  
  NOESY13C     430  426     yes  2.53   1.73   3.33   3.02    0.00    0.00     0.0    no       M    I  
  NOESY13C     431  427     yes  3.02   1.88   4.16   3.45    0.00    0.00     0.0    no       M    I  
  NOESY13C     432  428     yes  2.46   1.70   3.22   2.48    0.00    0.00     0.0    no       M    I  
  NOESY13C     433  429     yes  2.56   1.74   3.38   2.63    0.00    0.04     0.0    no       M    S  
  NOESY13C     434  430     yes  2.18   1.59   2.78   2.55    0.00    0.00     0.0    no       M    I  
  NOESY13C     435  431     yes  2.51   1.72   3.30   2.80    0.00    0.22    28.6    no       M    I  
  NOESY13C     437  433     yes  2.42   1.69   3.15   2.73    0.00    0.05     0.0    no       M    M  
  NOESY13C     438  434     yes  2.05   1.53   2.58   2.27    0.00    0.00     0.0    no       M    I  
  NOESY13C     440  436     yes  2.16   1.58   2.75   2.35    0.00    0.00     0.0    no       M    I  
  NOESY13C     441  437     yes  1.68   1.33   2.03   1.75    0.00    0.00     0.0    no       M    I  
  NOESY13C     443  439     yes  2.68   1.78   3.57   3.52    0.00    0.05     0.0    no       M    I  
  NOESY13C     446  442     yes  1.95   1.48   2.43   1.76    0.00    0.00     0.0    no       M    I  
  NOESY13C     448  444     yes  2.48   1.71   3.25   2.45    0.00    0.00     0.0    no       M    I  
  NOESY13C     449  445     yes  2.80   1.82   3.77   3.43    0.00    0.05     0.0    no       M    L  
  NOESY13C     450  446     yes  2.44   1.70   3.18   2.95    0.00    0.07     0.0    no       M    I  
  NOESY13C     452  448     yes  2.06   1.53   2.59   2.16    0.00    0.00     0.0    no       M    Q  
  NOESY13C     453  449     yes  2.45   1.70   3.20   2.90    0.00    0.00     0.0    no       M    I  
  NOESY13C     454  450     yes  2.26   1.62   2.90   2.45    0.00    0.00     0.0    no       M    I  
  NOESY13C     455  451     yes  2.66   1.78   3.54   2.78    0.00    0.00     0.0    no       M    I  
  NOESY13C     456  452     yes  2.16   1.57   2.74   2.63    0.00    0.02     0.0    no       M    I  
  NOESY13C     457  453     yes  2.30   1.64   2.97   2.94    0.00    0.03     0.0    no       M    L  
  NOESY13C     459  454     yes  2.18   1.59   2.78   2.82    0.00    0.04     0.0    no       M    L  
  NOESY13C     461  456     yes  2.82   1.83   3.82   2.73    0.00    0.00     0.0    no       M    S  
  NOESY13C     462  457     yes  2.72   1.79   3.64   2.85    0.00    0.00     0.0    no       M    I  
  NOESY13C     463  458     yes  2.13   1.56   2.70   2.44    0.00    0.00     0.0    no       M    I  
  NOESY13C     465  459     yes  2.64   1.77   3.51   3.48    0.00    0.04     0.0    no       M    L  
  NOESY13C     466  460     yes  2.40   1.68   3.12   2.20    0.00    0.00     0.0    no       M    I  
  NOESY13C     468  462     yes  2.14   1.57   2.72   2.01    0.00    0.00     0.0    no       M    L  
  NOESY13C     469  463     yes  2.61   1.76   3.47   2.91    0.00    0.00     0.0    no       M    I  
  NOESY13C     470  464     yes  2.25   1.62   2.89   2.61    0.00    0.26    28.6    no       M    I  
  NOESY13C     473  467     yes  2.34   1.65   3.02   2.29    0.00    0.00     0.0    no       M    I  
  NOESY13C     474  468     yes  3.24   1.93   4.56   2.04    0.00    0.00     0.0    no       M    I  
  NOESY13C     476  470     yes  2.73   1.80   3.67   3.74    0.00    0.07     0.0    no       M    L  
  NOESY13C     480  474     yes  2.63   1.77   3.50   3.26    0.00    0.03     0.0    no       M    L  
  NOESY13C     482  476     yes  2.21   1.60   2.82   2.24    0.00    0.00     0.0    no       M    L  
  NOESY13C     484  478     yes  7.72   0.27  15.17   7.80    0.00    0.00     0.0    no       S    S  
  NOESY13C     486  480     yes  1.85   1.42   2.27   1.76    0.00    0.00     0.0    no       M    I  
  NOESY13C     488  482     yes  1.85   1.42   2.28   1.76    0.00    0.00     0.0    no       M    I  
  NOESY13C     490  484     yes  2.53   1.73   3.33   3.02    0.00    0.00     0.0    no       M    I  
  NOESY13C     492  486     yes  2.36   1.66   3.05   2.92    0.00    0.07     0.0    no       S    L  
  NOESY13C     493  487     yes  2.51   1.72   3.30   2.38    0.00    0.00     0.0    no       M    I  
  NOESY13C     496  489     yes  2.33   1.65   3.01   2.28    0.00    0.00     0.0    no       M    Q  
  NOESY13C     497  490     yes  1.99   1.49   2.48   2.35    0.00    0.03     0.0    no       M    L  
  NOESY13C     502  495     yes  2.35   1.66   3.04   2.91    0.00    0.00     0.0    no       M    I  
  NOESY13C     503  496     yes  2.73   1.80   3.67   2.81    0.00    0.00     0.0    no       M    I  
  NOESY13C     504  497     yes  2.88   1.84   3.91   2.98    0.00    0.00     0.0    no       M    L  
  NOESY13C     506  499     yes  2.37   1.67   3.07   2.50    0.00    0.00     0.0    no       M    Q  
  NOESY13C     507  500     yes  3.04   1.89   4.20   4.18    0.00    0.05     0.0    no       M    I  
  NOESY13C     509  501     yes  1.81   1.40   2.21   1.76    0.00    0.00     0.0    no       M    I  
  NOESY13C     510  502     yes  2.37   1.67   3.07   2.35    0.00    0.00     0.0    no       M    I  
  NOESY13C     511  503     yes  2.39   1.68   3.10   2.44    0.00    0.00     0.0    no       M    I  
  NOESY15N       1  504     yes  2.37   1.67   3.08   2.77    0.00    0.00     0.0    no       M    Q  
  NOESY15N       2  505     yes  2.71   1.79   3.62   3.50    0.00    0.00     0.0    no       M    Q  
  NOESY15N       3  506     yes  2.70   1.79   3.60   2.41    0.00    0.00     0.0    no       M    I  
  NOESY15N       4  507     yes  2.54   1.73   3.34   2.20    0.00    0.00     0.0    no       M    Q  
  NOESY15N       6  509     yes  2.71   1.79   3.63   2.55    0.00    0.00     0.0    no       M    I  
  NOESY15N       8  511     yes  2.98   1.87   4.09   3.16    0.02    0.00     0.0    no       M    Q  
  NOESY15N       9  512     yes  2.81   1.82   3.80   2.89    0.00    0.00     0.0    no       M    I  
  NOESY15N      13  516     yes  2.72   1.79   3.64   2.72    0.00    0.00     0.0    no       M    Q  
  NOESY15N      15  518     yes  2.81   1.82   3.79   3.69    0.00    0.00     0.0    no       M    S  
  NOESY15N      20  523     yes  2.29   1.64   2.95   1.87    0.00    0.00     0.0    no       M    Q  
  NOESY15N      22  525     yes  2.34   1.65   3.02   2.39    0.00    0.00     0.0    no       M    I  
  NOESY15N      27  530     yes  2.93   1.86   4.00   3.07    0.00    0.08     0.0    no       M    I  
  NOESY15N      33  536     yes  2.63   1.77   3.50   3.33    0.00    0.04    14.3    no       M    Q  
  NOESY15N      36  539     yes  2.85   1.84   3.87   2.55    0.00    0.00     0.0    no       M    Q  
  NOESY15N      37  540     yes  2.89   1.85   3.93   3.57    0.00    0.06     0.0    no       M    I  
  NOESY15N      39  542     yes  2.76   1.81   3.70   2.99    0.00    0.02     0.0    no       M    Q  
  NOESY15N      40  543     yes  2.24   1.61   2.87   2.48    0.00    0.00     0.0    no       M    I  
  NOESY15N      41  544     yes  3.21   1.92   4.49   4.49    0.00    0.02     0.0    no       M    I  
  NOESY15N      42  545     yes  2.74   1.80   3.67   2.48    0.00    0.00     0.0    no       M    Q  
  NOESY15N      43  546     yes  2.50   1.72   3.27   2.38    0.00    0.00     0.0    no       M    Q  
  NOESY15N      44  547     yes  2.54   1.73   3.35   2.92    0.00    0.00     0.0    no       M    I  
  NOESY15N      45  548     yes  2.74   1.80   3.68   2.91    0.00    0.00     0.0    no       M    Q  
  NOESY15N      46  549     yes  2.19   1.59   2.79   2.35    0.00    0.00     0.0    no       M    I  
  NOESY15N      47  550     yes  2.79   1.82   3.77   3.41    0.00    0.09    14.3    no       M    I  
  NOESY15N      49  552     yes  2.61   1.76   3.47   2.27    0.00    0.00     0.0    no       M    Q  
  NOESY15N      50  553     yes  2.43   1.69   3.17   2.47    0.00    0.00     0.0    no       M    Q  
  NOESY15N      51  554     yes  2.82   1.83   3.81   2.94    0.00    0.00     0.0    no       M    I  
  NOESY15N      53  556     yes  2.45   1.70   3.20   2.72    0.00    0.05     0.0    no       M    Q  
  NOESY15N      54  557     yes  3.07   1.89   4.24   3.01    0.00    0.00     0.0    no       M    I  
  NOESY15N      57  560     yes  2.83   1.83   3.84   3.09    0.00    0.00     0.0    no       M    I  
  NOESY15N      58  561     yes  3.00   1.88   4.13   3.67    0.00    0.00     0.0    no       M    I  
  NOESY15N      59  562     yes  2.73   1.80   3.66   3.64    0.00    0.04     0.0    no       S    Q  
  NOESY15N      60  563     yes  3.08   1.90   4.27   2.93    0.00    0.00     0.0    no       M    I  
  NOESY15N      61  564     yes  2.81   1.82   3.79   2.63    0.00    0.00     0.0    no       M    Q  
  NOESY15N      62  565     yes  3.10   1.90   4.31   4.12    0.00    0.02     0.0    no       M    S  
  NOESY15N      63  566     yes  2.55   1.74   3.36   2.62    0.00    0.00     0.0    no       M    I  
  NOESY15N      64  567     yes  3.23   1.93   4.54   4.06    0.00    0.00     0.0    no       M    I  
  NOESY15N      65  568     yes  3.08   1.89   4.26   3.75    0.00    0.00     0.0    no       M    I  
  NOESY15N      66  569     yes  2.68   1.78   3.58   3.05    0.00    0.00     0.0    no       M    Q  
  NOESY15N      67  570     yes  2.82   1.83   3.82   2.94    0.00    0.00     0.0    no       M    I  
  NOESY15N      68  571     yes  2.43   1.69   3.16   2.50    0.00    0.00     0.0    no       M    I  
  NOESY15N      69  572     yes  2.71   1.79   3.64   3.16    0.00    0.10    14.3    no       M    I  
  NOESY15N      70  573     yes  2.68   1.78   3.57   2.85    0.00    0.00     0.0    no       M    Q  
  NOESY15N      71  574     yes  2.33   1.65   3.01   2.25    0.00    0.00     0.0    no       M    Q  
  NOESY15N      72  575     yes  3.12   1.90   4.34   3.39    0.00    0.00     0.0    no       M    I  
  NOESY15N      75  578     yes  3.09   1.90   4.28   2.40    0.00    0.00     0.0    no       M    S  
  NOESY15N      79  582     yes  2.56   1.74   3.38   2.82    0.00    0.00     0.0    no       M    Q  
  NOESY15N      80  583     yes  1.95   1.47   2.43   1.73    0.00    0.00     0.0    no       M    I  
  NOESY15N      82  585     yes  3.09   1.90   4.28   3.54    0.00    0.00     0.0    no       M    Q  
  NOESY15N      84  587     yes  2.70   1.79   3.61   3.64    0.00    0.03     0.0    no       M    Q  
  NOESY15N      85  588     yes  2.22   1.61   2.84   2.49    0.00    0.00     0.0    no       M    I  
  NOESY15N      87  590     yes  2.57   1.75   3.40   2.66    0.00    0.00     0.0    no       M    Q  
  NOESY15N      89  592     yes  2.25   1.62   2.89   2.44    0.00    0.00     0.0    no       M    I  
  NOESY15N      93  596     yes  2.28   1.63   2.93   2.63    0.00    0.00     0.0    no       M    I  
  NOESY15N      95  598     yes  2.77   1.81   3.74   3.05    0.00    0.00     0.0    no       M    Q  
  NOESY15N      96  599     yes  2.30   1.64   2.96   2.78    0.00    0.00     0.0    no       M    I  
  NOESY15N      97  600     yes  1.88   1.44   2.32   1.73    0.00    0.00     0.0    no       M    I  
  NOESY15N      98  601     yes  2.73   1.80   3.66   2.83    0.00    0.00     0.0    no       M    I  
  NOESY15N     103  606     yes  2.98   1.87   4.08   3.39    0.00    0.00     0.0    no       M    I  
  NOESY15N     105  608     yes  2.93   1.86   4.01   4.02    0.00    0.03     0.0    no       M    L  
  NOESY15N     106  609     yes  2.43   1.69   3.17   2.65    0.00    0.00     0.0    no       M    I  
  NOESY15N     107  610     yes  2.60   1.76   3.45   3.07    0.00    0.00     0.0    no       M    Q  
  NOESY15N     108  611     yes  2.96   1.86   4.05   3.79    0.00    0.00     0.0    no       M    I  
  NOESY15N     110  613     yes  2.33   1.65   3.02   2.59    0.00    0.00     0.0    no       M    I  
  NOESY15N     111  614     yes  2.88   1.84   3.92   3.22    0.00    0.00     0.0    no       M    I  
  NOESY15N     114  617     yes  2.96   1.86   4.05   3.21    0.00    0.00     0.0    no       M    Q  
  NOESY15N     115  618     yes  2.53   1.73   3.34   2.31    0.00    0.00     0.0    no       M    I  
  NOESY15N     117  620     yes  3.19   1.92   4.46   3.55    0.00    0.00     0.0    no       M    I  
  NOESY15N     118  621     yes  3.05   1.89   4.22   3.95    0.00    0.00     0.0    no       M    I  
  NOESY15N     119  622     yes  2.66   1.77   3.54   2.59    0.00    0.00     0.0    no       M    Q  
  NOESY15N     120  623     yes  3.07   1.89   4.24   2.91    0.00    0.00     0.0    no       M    I  
  NOESY15N     122  625     yes  2.71   1.79   3.63   3.56    0.00    0.01     0.0    no       M    S  
  NOESY15N     123  626     yes  2.42   1.69   3.15   3.30    0.00    0.16   100.0   yes       M    Q  
  NOESY15N     126  629     yes  2.50   1.72   3.28   2.64    0.00    0.00     0.0    no       M    I  
  NOESY15N     128  631     yes  2.50   1.72   3.28   2.95    0.00    0.00     0.0    no       M    I  
  NOESY15N     129  632     yes  3.03   1.88   4.17   3.54    0.00    0.00     0.0    no       M    Q  
  NOESY15N     130  633     yes  2.58   1.75   3.41   3.24    0.00    0.05     0.0    no       M    Q  
  NOESY15N     131  634     yes  2.63   1.77   3.50   2.91    0.00    0.00     0.0    no       M    I  
  NOESY15N     132  635     yes  2.63   1.77   3.50   3.10    0.00    0.00     0.0    no       M    S  
  NOESY15N     133  636     yes  2.88   1.84   3.91   3.94    0.00    0.02     0.0    no       M    S  
  NOESY15N     134  637     yes  3.21   1.92   4.49   3.97    0.00    0.04     0.0    no       M    S  
  NOESY15N     135  638     yes  1.86   1.43   2.29   2.25    0.00    0.02     0.0    no       M    I  
  NOESY15N     136  639     yes  2.70   1.79   3.62   2.62    0.00    0.00     0.0    no       M    Q  
  NOESY15N     138  641     yes  2.74   1.80   3.68   2.76    0.00    0.00     0.0    no       M    I  
  NOESY15N     140  643     yes  2.38   1.67   3.09   2.27    0.00    0.05     0.0    no       M    I  
  NOESY15N     141  644     yes  2.75   1.80   3.70   3.07    0.00    0.08     0.0    no       M    I  
  NOESY15N     143  646     yes  3.10   1.90   4.29   4.33    0.00    0.04     0.0    no       M    L  
  NOESY15N     145  648     yes  2.90   1.85   3.96   2.69    0.00    0.00     0.0    no       M    I  
  NOESY15N     147  650     yes  2.88   1.84   3.91   2.94    0.00    0.00     0.0    no       M    I  
  NOESY15N     148  651     yes  2.80   1.82   3.78   3.33    0.00    0.00     0.0    no       M    I  
  NOESY15N     149  652     yes  2.67   1.78   3.56   2.77    0.00    0.00     0.0    no       M    I  
  NOESY15N     150  653     yes  2.84   1.83   3.85   3.04    0.00    0.00     0.0    no       M    L  
  NOESY15N     152  655     yes  2.17   1.58   2.76   2.28    0.00    0.00     0.0    no       M    Q  
  NOESY15N     153  656     yes  2.57   1.74   3.39   2.54    0.00    0.00     0.0    no       M    I  
  NOESY15N     154  657     yes  2.17   1.58   2.76   2.19    0.00    0.00     0.0    no       M    Q  
  NOESY15N     156  659     yes  2.98   1.87   4.09   3.23    0.00    0.00     0.0    no       M    Q  
  NOESY15N     157  660     yes  2.30   1.64   2.96   2.37    0.00    0.00     0.0    no       M    I  
  NOESY15N     159  662     yes  2.46   1.70   3.21   2.41    0.00    0.00     0.0    no       M    Q  
  NOESY15N     160  663     yes  2.86   1.84   3.88   2.84    0.00    0.00     0.0    no       M    I  
  NOESY15N     161  664     yes  2.60   1.75   3.44   3.50    0.00    0.07     0.0    no       M    I  
  NOESY15N     162  665     yes  3.11   1.90   4.31   2.48    0.00    0.00     0.0    no       M    Q  
  NOESY15N     164  667     yes  2.57   1.74   3.40   3.04    0.00    0.00     0.0    no       M    Q  
  NOESY15N     165  668     yes  2.51   1.72   3.31   2.62    0.00    0.00     0.0    no       M    I  
  NOESY15N     166  669     yes  2.62   1.76   3.49   2.09    0.00    0.00     0.0    no       M    I  
  NOESY15N     172  675     yes  1.65   1.31   1.99   1.73    0.00    0.00     0.0    no       M    I  
  NOESY15N     173  676     yes  3.31   1.94   4.68   3.21    0.00    0.00     0.0    no       M    S  
  NOESY15N     174  677     yes  2.93   1.86   4.00   3.32    0.00    0.00     0.0    no       M    Q  
  NOESY15N     176  679     yes  2.97   1.87   4.08   3.54    0.00    0.00     0.0    no       M    I  
  NOESY15N     177  680     yes  2.97   1.87   4.07   3.40    0.00    0.00     0.0    no       M    Q  
  NOESY15N     178  681     yes  2.74   1.80   3.68   3.31    0.00    0.00     0.0    no       M    I  
  NOESY15N     180  683     yes  2.29   1.64   2.95   2.83    0.00    0.00     0.0    no       M    I  
  NOESY15N     181  684     yes  2.80   1.82   3.77   2.00    0.00    0.00     0.0    no       M    Q  
  NOESY15N     184  687     yes  3.01   1.88   4.14   3.70    0.00    0.00     0.0    no       M    I  
  NOESY15N     186  689     yes  2.83   1.83   3.83   3.44    0.00    0.00     0.0    no       M    L  
  NOESY15N     188  691     yes  2.25   1.62   2.89   2.28    0.00    0.00     0.0    no       M    I  
  NOESY15N     189  692     yes  2.71   1.79   3.64   3.11    0.00    0.00     0.0    no       M    Q  
  NOESY15N     192  695     yes  2.71   1.79   3.62   2.61    0.00    0.00     0.0    no       M    Q  
  NOESY15N     195  698     yes  2.08   1.54   2.62   2.34    0.00    0.00     0.0    no       M    Q  
  NOESY15N     197  700     yes  2.38   1.67   3.09   2.18    0.00    0.00     0.0    no       M    I  
  NOESY15N     198  701     yes  2.67   1.78   3.56   2.93    0.00    0.00     0.0    no       M    L  
  NOESY15N     200  703     yes  3.01   1.88   4.14   4.13    0.00    0.02     0.0    no       M    Q  
  NOESY15N     201  704     yes  2.42   1.69   3.15   2.92    0.00    0.00     0.0    no       M    I  
  NOESY15N     202  705     yes  2.32   1.65   2.99   2.51    0.00    0.00     0.0    no       M    I  
  NOESY15N     203  706     yes  3.22   1.92   4.52   2.46    0.03    0.00     0.0    no       M    Q  
  NOESY15N     204  707     yes  2.99   1.87   4.11   3.14    0.00    0.00     0.0    no       M    L  
  NOESY15N     205  708     yes  3.19   1.92   4.47   3.51    0.00    0.00     0.0    no       M    S  
  NOESY15N     208  711     yes  2.58   1.75   3.42   3.30    0.00    0.02     0.0    no       M    Q  
  NOESY15N     210  713     yes  2.86   1.84   3.88   3.76    0.00    0.01     0.0    no       M    Q  
  NOESY15N     212  715     yes  2.30   1.64   2.96   2.76    0.00    0.00     0.0    no       M    I  
  NOESY15N     214  717     yes  2.67   1.78   3.56   3.14    0.00    0.08    14.3    no       M    S  
  NOESY15N     215  718     yes  2.61   1.76   3.45   2.93    0.00    0.00     0.0    no       M    I  
  NOESY15N     216  719     yes  2.89   1.84   3.93   2.93    0.00    0.00     0.0    no       M    I  
  NOESY15N     217  720     yes  2.32   1.65   2.99   2.17    0.00    0.00     0.0    no       M    Q  
  NOESY13C      27   26      no  2.57   1.74   3.40   5.11    0.00    1.72   100.0   yes       M    L  
  NOESY13C      29   28      no  2.84   1.83   3.85   5.45    0.00    1.60   100.0   yes       M    L  
  NOESY13C      35   34      no  2.69   1.79   3.60   5.06    0.00    1.46   100.0   yes       M    L  
  NOESY13C      38   37      no  2.67   1.78   3.57   3.72    0.00    0.22    71.4   yes       M    I  
  NOESY13C      46   45      no  2.79   1.82   3.76   6.38    0.00    2.62   100.0   yes       M    Q  
  NOESY13C      50   49      no  2.08   1.54   2.63   2.99    0.00    0.36   100.0   yes       M    I  
  NOESY13C      61   60      no  2.23   1.61   2.85   4.60    0.00    1.75   100.0   yes       M    L  
  NOESY13C     117  116      no  2.68   1.78   3.58   6.27    0.00    2.69   100.0   yes       M    Q  
  NOESY13C     145  144      no  2.57   1.74   3.39   4.04    0.00    0.65   100.0   yes       M    I  
  NOESY13C     152  151      no  2.68   1.78   3.58   4.43    0.00    0.85   100.0   yes       M    L  
  NOESY13C     153  152      no  2.56   1.74   3.38   3.39    0.00    0.39    28.6    no       M    L  
  NOESY13C     175  171      no  3.02   1.88   4.17   6.03    0.00    1.86   100.0   yes       M    S  
  NOESY13C     186  182      no  2.57   1.75   3.40   3.74    0.00    0.34   100.0   yes       M    I  
  NOESY13C     249  245      no  2.14   1.57   2.71   3.21    0.00    0.49   100.0   yes       S    I  
  NOESY13C     259  255      no  2.38   1.67   3.09   6.27    0.00    3.17   100.0   yes       M    S  
  NOESY13C     275  271      no  2.98   1.87   4.10   4.96    0.00    0.87   100.0   yes       M    Q  
  NOESY13C     279  275      no  1.95   1.48   2.43   6.69    0.00    4.26   100.0   yes       M    Q  
  NOESY13C     290  286      no  2.18   1.59   2.78   2.98    0.00    0.21    85.7   yes       M    L  
  NOESY13C     300  296      no  2.95   1.86   4.04   4.63    0.00    0.77    85.7   yes       M    I  
  NOESY13C     307  303      no  2.58   1.75   3.41   6.60    0.00    3.19   100.0   yes       M    S  
  NOESY13C     335  331      no  2.40   1.68   3.12   3.30    0.00    0.19   100.0   yes       M    Q  
  NOESY13C     338  334      no  2.85   1.84   3.87   4.88    0.00    1.00   100.0   yes       M    L  
  NOESY13C     411  407      no  2.82   1.83   3.82   5.44    0.00    1.62   100.0   yes       M    S  
  NOESY13C     444  440      no  3.09   1.90   4.28   9.66    0.00    5.38   100.0   yes       M    L  
  NOESY13C     467  461      no  2.80   1.82   3.78   3.94    0.00    0.25    71.4   yes       M    L  
  NOESY13C     471  465      no  2.42   1.69   3.15   4.81    0.00    1.66   100.0   yes       M    S  
  NOESY13C     483  477      no  2.09   1.54   2.63   4.57    0.00    1.94   100.0   yes       M    L  
  NOESY13C     489  483      no  2.94   1.86   4.02   4.41    0.00    0.39   100.0   yes       M    L  
  NOESY15N       7  510      no  2.48   1.71   3.25   3.53    0.00    0.39    71.4   yes       M    Q  
  NOESY15N      19  522      no  2.58   1.75   3.41   3.73    0.00    0.32   100.0   yes       M    Q  
  NOESY15N      55  558      no  2.71   1.79   3.62   4.43    0.00    0.81   100.0   yes       M    Q  
  NOESY15N      86  589      no  2.82   1.83   3.81   4.41    0.00    0.72    71.4   yes       M    I  
  NOESY15N      91  594      no  2.90   1.85   3.95   4.12    0.00    0.17    71.4   yes       M    I  
  NOESY15N     116  619      no  2.62   1.76   3.48   3.71    0.00    0.23   100.0   yes       M    I  
  NOESY15N     144  647      no  2.63   1.76   3.49   3.71    0.00    0.22   100.0   yes       M    I  
  NOESY15N     182  685      no  2.60   1.75   3.44   3.62    0.00    0.18   100.0   yes       M    I  
  NOESY15N     194  697      no  2.78   1.81   3.75   4.19    0.00    0.44   100.0   yes       M    S  
  NOESY15N     196  699      no  2.15   1.57   2.73   2.97    0.00    0.24    85.7   yes       M    I  
  NOESY15N     207  710      no  2.71   1.79   3.63   5.63    0.00    2.01   100.0   yes       M    S  
  NOESY15N     209  712      no  2.41   1.68   3.14   4.18    0.00    1.04   100.0   yes       M    I  
  NOESY15N     211  714      no  2.60   1.75   3.44  14.79    0.00   11.35   100.0   yes       S    L  
  NOESY15N     213  716      no  2.27   1.62   2.91   3.57    0.00    0.66   100.0   yes       M    Q  
  NOESY15N     219  722      no  2.72   1.79   3.64   4.82    0.00    1.37    85.7   yes       S    L  


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 ASSIGN  (segid "   A" and resid 4    and name N   ) (segid "   A" and resid 4    and name CA  )
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 ASSIGN  (segid "   A" and resid 4    and name C   ) (segid "   A" and resid 5    and name N   )
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 ASSIGN  (segid "   A" and resid 5    and name N   ) (segid "   A" and resid 5    and name CA  )
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 ASSIGN  (segid "   A" and resid 5    and name C   ) (segid "   A" and resid 6    and name N   )
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 ASSIGN  (segid "   A" and resid 6    and name N   ) (segid "   A" and resid 6    and name CA  )
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 ASSIGN  (segid "   A" and resid 6    and name C   ) (segid "   A" and resid 7    and name N   )
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 ASSIGN  (segid "   A" and resid 7    and name N   ) (segid "   A" and resid 7    and name CA  )
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 ASSIGN  (segid "   A" and resid 7    and name C   ) (segid "   A" and resid 8    and name N   )
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 ASSIGN  (segid "   A" and resid 8    and name N   ) (segid "   A" and resid 8    and name CA  )
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 ASSIGN  (segid "   A" and resid 8    and name C   ) (segid "   A" and resid 9    and name N   )
         (segid "   A" and resid 9    and name CA  ) (segid "   A" and resid 9    and name C   )  1.00 -85.79 24.21 2

 ASSIGN  (segid "   A" and resid 9    and name N   ) (segid "   A" and resid 9    and name CA  )
         (segid "   A" and resid 9    and name C   ) (segid "   A" and resid 10   and name N   )  1.00   4.98 24.98 2

 ASSIGN  (segid "   A" and resid 9    and name C   ) (segid "   A" and resid 10   and name N   )
         (segid "   A" and resid 10   and name CA  ) (segid "   A" and resid 10   and name C   )  1.00  55.00 15.00 2

 ASSIGN  (segid "   A" and resid 10   and name N   ) (segid "   A" and resid 10   and name CA  )
         (segid "   A" and resid 10   and name C   ) (segid "   A" and resid 11   and name N   )  1.00  45.00 25.00 2

 ASSIGN  (segid "   A" and resid 10   and name C   ) (segid "   A" and resid 11   and name N   )
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 ASSIGN  (segid "   A" and resid 11   and name N   ) (segid "   A" and resid 11   and name CA  )
         (segid "   A" and resid 11   and name C   ) (segid "   A" and resid 12   and name N   )  1.00 137.18 57.18 2

 ASSIGN  (segid "   A" and resid 11   and name C   ) (segid "   A" and resid 12   and name N   )
         (segid "   A" and resid 12   and name CA  ) (segid "   A" and resid 12   and name C   )  1.00 -101.39 48.61 2

 ASSIGN  (segid "   A" and resid 12   and name N   ) (segid "   A" and resid 12   and name CA  )
         (segid "   A" and resid 12   and name C   ) (segid "   A" and resid 13   and name N   )  1.00 121.44 31.44 2

 ASSIGN  (segid "   A" and resid 12   and name C   ) (segid "   A" and resid 13   and name N   )
         (segid "   A" and resid 13   and name CA  ) (segid "   A" and resid 13   and name C   )  1.00 -115.02 44.98 2

 ASSIGN  (segid "   A" and resid 13   and name N   ) (segid "   A" and resid 13   and name CA  )
         (segid "   A" and resid 13   and name C   ) (segid "   A" and resid 14   and name N   )  1.00 135.13 35.13 2

 ASSIGN  (segid "   A" and resid 13   and name C   ) (segid "   A" and resid 14   and name N   )
         (segid "   A" and resid 14   and name CA  ) (segid "   A" and resid 14   and name C   )  1.00 -123.68 46.32 2

 ASSIGN  (segid "   A" and resid 14   and name N   ) (segid "   A" and resid 14   and name CA  )
         (segid "   A" and resid 14   and name C   ) (segid "   A" and resid 15   and name N   )  1.00 137.40 37.40 2

 ASSIGN  (segid "   A" and resid 15   and name C   ) (segid "   A" and resid 16   and name N   )
         (segid "   A" and resid 16   and name CA  ) (segid "   A" and resid 16   and name C   )  1.00 -136.32 33.68 2

 ASSIGN  (segid "   A" and resid 16   and name N   ) (segid "   A" and resid 16   and name CA  )
         (segid "   A" and resid 16   and name C   ) (segid "   A" and resid 17   and name N   )  1.00 147.20 37.20 2

 ASSIGN  (segid "   A" and resid 16   and name C   ) (segid "   A" and resid 17   and name N   )
         (segid "   A" and resid 17   and name CA  ) (segid "   A" and resid 17   and name C   )  1.00 -125.79 54.21 2

 ASSIGN  (segid "   A" and resid 17   and name N   ) (segid "   A" and resid 17   and name CA  )
         (segid "   A" and resid 17   and name C   ) (segid "   A" and resid 18   and name N   )  1.00 155.75 45.75 2

 ASSIGN  (segid "   A" and resid 17   and name C   ) (segid "   A" and resid 18   and name N   )
         (segid "   A" and resid 18   and name CA  ) (segid "   A" and resid 18   and name C   )  1.00 -79.63 30.37 2

 ASSIGN  (segid "   A" and resid 18   and name N   ) (segid "   A" and resid 18   and name CA  )
         (segid "   A" and resid 18   and name C   ) (segid "   A" and resid 19   and name N   )  1.00 164.94 34.94 2

 ASSIGN  (segid "   A" and resid 18   and name C   ) (segid "   A" and resid 19   and name N   )
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 ASSIGN  (segid "   A" and resid 19   and name N   ) (segid "   A" and resid 19   and name CA  )
         (segid "   A" and resid 19   and name C   ) (segid "   A" and resid 20   and name N   )  1.00 142.73 32.73 2

 ASSIGN  (segid "   A" and resid 20   and name C   ) (segid "   A" and resid 21   and name N   )
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 ASSIGN  (segid "   A" and resid 21   and name N   ) (segid "   A" and resid 21   and name CA  )
         (segid "   A" and resid 21   and name C   ) (segid "   A" and resid 22   and name N   )  1.00 151.56 41.56 2

 ASSIGN  (segid "   A" and resid 21   and name C   ) (segid "   A" and resid 22   and name N   )
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 ASSIGN  (segid "   A" and resid 22   and name N   ) (segid "   A" and resid 22   and name CA  )
         (segid "   A" and resid 22   and name C   ) (segid "   A" and resid 23   and name N   )  1.00 154.71 24.71 2

 ASSIGN  (segid "   A" and resid 22   and name C   ) (segid "   A" and resid 23   and name N   )
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 ASSIGN  (segid "   A" and resid 23   and name N   ) (segid "   A" and resid 23   and name CA  )
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 ASSIGN  (segid "   A" and resid 23   and name C   ) (segid "   A" and resid 24   and name N   )
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 ASSIGN  (segid "   A" and resid 24   and name N   ) (segid "   A" and resid 24   and name CA  )
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 ASSIGN  (segid "   A" and resid 24   and name C   ) (segid "   A" and resid 25   and name N   )
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 ASSIGN  (segid "   A" and resid 25   and name N   ) (segid "   A" and resid 25   and name CA  )
         (segid "   A" and resid 25   and name C   ) (segid "   A" and resid 26   and name N   )  1.00 155.12 25.12 2

 ASSIGN  (segid "   A" and resid 25   and name C   ) (segid "   A" and resid 26   and name N   )
         (segid "   A" and resid 26   and name CA  ) (segid "   A" and resid 26   and name C   )  1.00 -114.28 45.72 2

 ASSIGN  (segid "   A" and resid 26   and name N   ) (segid "   A" and resid 26   and name CA  )
         (segid "   A" and resid 26   and name C   ) (segid "   A" and resid 27   and name N   )  1.00 135.64 35.64 2

 ASSIGN  (segid "   A" and resid 26   and name C   ) (segid "   A" and resid 27   and name N   )
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 ASSIGN  (segid "   A" and resid 27   and name N   ) (segid "   A" and resid 27   and name CA  )
         (segid "   A" and resid 27   and name C   ) (segid "   A" and resid 28   and name N   )  1.00 162.82 32.82 2

 ASSIGN  (segid "   A" and resid 27   and name C   ) (segid "   A" and resid 28   and name N   )
         (segid "   A" and resid 28   and name CA  ) (segid "   A" and resid 28   and name C   )  1.00 -58.41 31.59 2

 ASSIGN  (segid "   A" and resid 28   and name N   ) (segid "   A" and resid 28   and name CA  )
         (segid "   A" and resid 28   and name C   ) (segid "   A" and resid 29   and name N   )  1.00 140.31 30.31 2

 ASSIGN  (segid "   A" and resid 28   and name C   ) (segid "   A" and resid 29   and name N   )
         (segid "   A" and resid 29   and name CA  ) (segid "   A" and resid 29   and name C   )  1.00  55.00 15.00 2

 ASSIGN  (segid "   A" and resid 29   and name N   ) (segid "   A" and resid 29   and name CA  )
         (segid "   A" and resid 29   and name C   ) (segid "   A" and resid 30   and name N   )  1.00  41.69 31.69 2

 ASSIGN  (segid "   A" and resid 30   and name C   ) (segid "   A" and resid 31   and name N   )
         (segid "   A" and resid 31   and name CA  ) (segid "   A" and resid 31   and name C   )  1.00 -76.48 93.52 2

 ASSIGN  (segid "   A" and resid 31   and name N   ) (segid "   A" and resid 31   and name CA  )
         (segid "   A" and resid 31   and name C   ) (segid "   A" and resid 32   and name N   )  1.00 151.92 41.92 2

 ASSIGN  (segid "   A" and resid 31   and name C   ) (segid "   A" and resid 32   and name N   )
         (segid "   A" and resid 32   and name CA  ) (segid "   A" and resid 32   and name C   )  1.00 -124.18 45.82 2

 ASSIGN  (segid "   A" and resid 32   and name N   ) (segid "   A" and resid 32   and name CA  )
         (segid "   A" and resid 32   and name C   ) (segid "   A" and resid 33   and name N   )  1.00 131.95 41.95 2

 ASSIGN  (segid "   A" and resid 32   and name C   ) (segid "   A" and resid 33   and name N   )
         (segid "   A" and resid 33   and name CA  ) (segid "   A" and resid 33   and name C   )  1.00 -106.90 33.10 2

 ASSIGN  (segid "   A" and resid 33   and name N   ) (segid "   A" and resid 33   and name CA  )
         (segid "   A" and resid 33   and name C   ) (segid "   A" and resid 34   and name N   )  1.00 124.79 24.79 2

 ASSIGN  (segid "   A" and resid 33   and name C   ) (segid "   A" and resid 34   and name N   )
         (segid "   A" and resid 34   and name CA  ) (segid "   A" and resid 34   and name C   )  1.00 -116.53 33.47 2

 ASSIGN  (segid "   A" and resid 34   and name N   ) (segid "   A" and resid 34   and name CA  )
         (segid "   A" and resid 34   and name C   ) (segid "   A" and resid 35   and name N   )  1.00 131.66 31.66 2

 ASSIGN  (segid "   A" and resid 34   and name C   ) (segid "   A" and resid 35   and name N   )
         (segid "   A" and resid 35   and name CA  ) (segid "   A" and resid 35   and name C   )  1.00 -116.58 33.42 2

 ASSIGN  (segid "   A" and resid 35   and name N   ) (segid "   A" and resid 35   and name CA  )
         (segid "   A" and resid 35   and name C   ) (segid "   A" and resid 36   and name N   )  1.00 126.76 26.76 2

 ASSIGN  (segid "   A" and resid 35   and name C   ) (segid "   A" and resid 36   and name N   )
         (segid "   A" and resid 36   and name CA  ) (segid "   A" and resid 36   and name C   )  1.00 -97.65 52.35 2

 ASSIGN  (segid "   A" and resid 36   and name N   ) (segid "   A" and resid 36   and name CA  )
         (segid "   A" and resid 36   and name C   ) (segid "   A" and resid 37   and name N   )  1.00 130.74 40.74 2

 ASSIGN  (segid "   A" and resid 36   and name C   ) (segid "   A" and resid 37   and name N   )
         (segid "   A" and resid 37   and name CA  ) (segid "   A" and resid 37   and name C   )  1.00 -83.00 37.00 2

 ASSIGN  (segid "   A" and resid 37   and name N   ) (segid "   A" and resid 37   and name CA  )
         (segid "   A" and resid 37   and name C   ) (segid "   A" and resid 38   and name N   )  1.00 121.89 21.89 2

 ASSIGN  (segid "   A" and resid 37   and name C   ) (segid "   A" and resid 38   and name N   )
         (segid "   A" and resid 38   and name CA  ) (segid "   A" and resid 38   and name C   )  1.00 -80.85 29.15 2

 ASSIGN  (segid "   A" and resid 38   and name N   ) (segid "   A" and resid 38   and name CA  )
         (segid "   A" and resid 38   and name C   ) (segid "   A" and resid 39   and name N   )  1.00 154.94 24.94 2

 ASSIGN  (segid "   A" and resid 38   and name C   ) (segid "   A" and resid 39   and name N   )
         (segid "   A" and resid 39   and name CA  ) (segid "   A" and resid 39   and name C   )  1.00 -64.29 25.71 2

 ASSIGN  (segid "   A" and resid 39   and name N   ) (segid "   A" and resid 39   and name CA  )
         (segid "   A" and resid 39   and name C   ) (segid "   A" and resid 40   and name N   )  1.00 153.32 33.32 2

 ASSIGN  (segid "   A" and resid 40   and name C   ) (segid "   A" and resid 41   and name N   )
         (segid "   A" and resid 41   and name CA  ) (segid "   A" and resid 41   and name C   )  1.00 -69.06 40.94 2

 ASSIGN  (segid "   A" and resid 41   and name N   ) (segid "   A" and resid 41   and name CA  )
         (segid "   A" and resid 41   and name C   ) (segid "   A" and resid 42   and name N   )  1.00 147.59 27.59 2



assign ( residue   8 and name HN  ) ( residue    4  and name O )  1.80  0.00  0.50
assign ( residue   8 and name N  )  ( residue    4  and name O )  2.80  0.00  0.50

assign ( residue   9 and name HN  ) ( residue   5  and name O )  1.80  0.00  0.50
assign ( residue   9 and name N  )  ( residue   5  and name O )  2.80  0.00  0.50

assign ( residue   10 and name HN  ) ( residue   6  and name O )  1.80  0.00  0.50
assign ( residue   10 and name N  )  ( residue   6  and name O )  2.80  0.00  0.50

assign ( residue   5 and name HN  ) ( residue   1  and name O )  1.80  0.00  0.50
assign ( residue   5 and name N  )  ( residue   1  and name O )  2.80  0.00  0.50

assign ( residue   6 and name HN  ) ( residue   2  and name O )  1.80  0.00  0.50
assign ( residue   6 and name N  )  ( residue   2  and name O )  2.80  0.00  0.50

assign ( residue   7 and name HN  ) ( residue   3  and name O )  1.80  0.00  0.50
assign ( residue   7 and name N  )  ( residue   3  and name O )  2.80  0.00  0.50

assign ( residue   35 and name HN  ) ( residue   22  and name O )  1.80  0.00  0.50
assign ( residue   35 and name N  )  ( residue   22  and name O )  2.80  0.00  0.50

assign ( residue   34 and name HN  ) ( residue   12  and name O )  1.80  0.00  0.50
assign ( residue   34 and name N  )  ( residue   12  and name O )  2.80  0.00  0.50

assign ( residue   32 and name HN  ) ( residue   14  and name O )  1.80  0.00  0.50
assign ( residue   32 and name N  )  ( residue   14  and name O )  2.80  0.00  0.50

assign ( residue   24 and name HN  ) ( residue   33  and name O )  1.80  0.00  0.50
assign ( residue   24 and name N  )  ( residue   33  and name O )  2.80  0.00  0.50

assign ( residue   14 and name HN  ) ( residue   32  and name O )  1.80  0.00  0.50
assign ( residue   14 and name N  )  ( residue   32  and name O )  2.80  0.00  0.50

assign ( residue   33 and name HN  ) ( residue   24  and name O )  1.80  0.00  0.50
assign ( residue   33 and name N  )  ( residue   24  and name O )  2.80  0.00  0.50

assign ( residue   12 and name HN  ) ( residue   34  and name O )  1.80  0.00  0.50
assign ( residue   12 and name N  )  ( residue   34  and name O )  2.80  0.00  0.50

assign ( residue   22 and name HN  ) ( residue   35  and name O )  1.80  0.00  0.50
assign ( residue   22 and name N  )  ( residue   35  and name O )  2.80  0.00  0.50





  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    PHE   1           1H       PHE   1  10.056 -11.943   0.736
    2    HA   PHE   1           HA       PHE   1   8.135 -13.142  -0.049
    3    HB2  PHE   1           1HB      PHE   1   8.763 -13.476   2.887
    4    HB3  PHE   1           2HB      PHE   1   7.861 -14.647   1.932
    5    HD1  PHE   1           HD1      PHE   1   8.971 -15.836   0.076
    6    HD2  PHE   1           HD2      PHE   1  11.124 -13.334   2.758
    7    HE1  PHE   1           HE1      PHE   1  11.075 -16.887  -0.637
    8    HE2  PHE   1           HE2      PHE   1  13.231 -14.382   2.050
    9    HZ   PHE   1           HZ       PHE   1  13.205 -16.160   0.348
   10    H    PHE   2           H        PHE   2   7.394 -11.254   2.894
   11    HA   PHE   2           HA       PHE   2   4.726 -12.011   3.140
   12    HB2  PHE   2           1HB      PHE   2   6.072  -9.421   3.897
   13    HB3  PHE   2           2HB      PHE   2   4.421  -9.822   4.346
   14    HD1  PHE   2           HD2      PHE   2   4.349 -12.404   5.332
   15    HD2  PHE   2           HD1      PHE   2   7.567  -9.634   5.607
   16    HE1  PHE   2           HE2      PHE   2   5.176 -13.567   7.334
   17    HE2  PHE   2           HE1      PHE   2   8.401 -10.794   7.610
   18    HZ   PHE   2           HZ       PHE   2   7.202 -12.764   8.476
   19    H    ASP   3           H        ASP   3   5.832  -8.890   1.756
   20    HA   ASP   3           HA       ASP   3   3.244  -8.611   0.521
   21    HB2  ASP   3           1HB      ASP   3   3.976  -6.425  -0.234
   22    HB3  ASP   3           2HB      ASP   3   4.282  -6.634   1.483
   23    H    GLU   4           H        GLU   4   5.954 -10.223  -0.315
   24    HA   GLU   4           HA       GLU   4   5.799  -9.978  -3.150
   25    HB2  GLU   4           1HB      GLU   4   7.676 -11.121  -1.942
   26    HB3  GLU   4           2HB      GLU   4   6.562 -12.413  -1.513
   27    HG2  GLU   4           1HG      GLU   4   6.183 -12.698  -4.006
   28    HG3  GLU   4           2HG      GLU   4   7.593 -11.664  -4.226
   29    H    LYS   5           H        LYS   5   4.251 -11.935  -0.685
   30    HA   LYS   5           HA       LYS   5   2.456 -13.288  -2.426
   31    HB2  LYS   5           1HB      LYS   5   3.104 -13.971  -0.067
   32    HB3  LYS   5           2HB      LYS   5   2.047 -12.691   0.503
   33    HG2  LYS   5           1HG      LYS   5   0.952 -14.862   0.588
   34    HG3  LYS   5           2HG      LYS   5   0.139 -13.776  -0.540
   35    HD2  LYS   5           1HD      LYS   5   1.009 -14.899  -2.415
   36    HD3  LYS   5           2HD      LYS   5   2.217 -15.745  -1.449
   37    HE2  LYS   5           1HE      LYS   5   0.368 -17.214  -2.137
   38    HE3  LYS   5           2HE      LYS   5   0.495 -17.066  -0.386
   39    HZ1  LYS   5           3HZ      LYS   5  -1.313 -15.448  -0.446
   40    HZ2  LYS   5           1HZ      LYS   5  -1.790 -16.935  -1.092
   41    HZ3  LYS   5           2HZ      LYS   5  -1.448 -15.643  -2.122
   42    H    CYS   6           H        CYS   6   2.437 -10.231  -0.682
   43    HA   CYS   6           HA       CYS   6  -0.241  -9.524  -1.177
   44    HB2  CYS   6           1HB      CYS   6   1.300  -8.281   0.384
   45    HB3  CYS   6           2HB      CYS   6   2.105  -7.612  -1.030
   46    HG   CYS   6           HG       CYS   6   0.557  -5.613  -1.301
   47    H    ASN   7           H        ASN   7   2.691  -9.202  -3.112
   48    HA   ASN   7           HA       ASN   7   1.654  -7.711  -5.241
   49    HB2  ASN   7           1HB      ASN   7   4.087  -8.463  -4.796
   50    HB3  ASN   7           2HB      ASN   7   3.635  -9.955  -5.608
   51   HD21  ASN   7          1HD2      ASN   7   5.609  -8.034  -6.421
   52   HD22  ASN   7          2HD2      ASN   7   5.129  -7.451  -7.978
   53    H    LYS   8           H        LYS   8   1.658 -11.179  -4.598
   54    HA   LYS   8           HA       LYS   8   0.295 -11.999  -6.931
   55    HB2  LYS   8           1HB      LYS   8   1.465 -13.581  -5.489
   56    HB3  LYS   8           2HB      LYS   8   0.355 -13.235  -4.172
   57    HG2  LYS   8           1HG      LYS   8  -0.216 -15.336  -5.185
   58    HG3  LYS   8           2HG      LYS   8  -1.489 -14.162  -5.515
   59    HD2  LYS   8           1HD      LYS   8  -0.555 -13.791  -7.752
   60    HD3  LYS   8           2HD      LYS   8   0.708 -14.978  -7.417
   61    HE2  LYS   8           1HE      LYS   8  -2.261 -15.512  -7.490
   62    HE3  LYS   8           2HE      LYS   8  -1.098 -15.955  -8.737
   63    HZ1  LYS   8           3HZ      LYS   8  -1.082 -16.966  -5.944
   64    HZ2  LYS   8           1HZ      LYS   8   0.002 -17.407  -7.163
   65    HZ3  LYS   8           2HZ      LYS   8  -1.630 -17.822  -7.294
   66    H    LEU   9           H        LEU   9  -0.836 -10.876  -3.786
   67    HA   LEU   9           HA       LEU   9  -3.623 -11.201  -4.447
   68    HB2  LEU   9           1HB      LEU   9  -2.093 -10.111  -2.132
   69    HB3  LEU   9           2HB      LEU   9  -3.762  -9.618  -2.323
   70    HG   LEU   9           HG       LEU   9  -3.512 -11.505  -0.766
   71   HD11  LEU   9          1HD1      LEU   9  -5.244 -12.925  -1.712
   72   HD12  LEU   9          2HD1      LEU   9  -4.955 -12.232  -3.308
   73   HD13  LEU   9          3HD1      LEU   9  -5.590 -11.222  -2.010
   74   HD21  LEU   9          3HD2      LEU   9  -2.920 -13.723  -1.606
   75   HD22  LEU   9          1HD2      LEU   9  -1.576 -12.593  -1.767
   76   HD23  LEU   9          2HD2      LEU   9  -2.538 -13.027  -3.180
   77    H    LYS  10           H        LYS  10  -1.380  -9.186  -5.577
   78    HA   LYS  10           HA       LYS  10  -1.529  -7.456  -7.025
   79    HB2  LYS  10           1HB      LYS  10  -4.502  -7.528  -6.484
   80    HB3  LYS  10           2HB      LYS  10  -3.717  -6.615  -7.764
   81    HG2  LYS  10           1HG      LYS  10  -3.684  -9.614  -7.499
   82    HG3  LYS  10           2HG      LYS  10  -4.738  -8.695  -8.572
   83    HD2  LYS  10           1HD      LYS  10  -1.724  -8.631  -8.671
   84    HD3  LYS  10           2HD      LYS  10  -2.732  -9.652  -9.694
   85    HE2  LYS  10           1HE      LYS  10  -3.841  -7.625 -10.565
   86    HE3  LYS  10           2HE      LYS  10  -2.748  -6.639  -9.598
   87    HZ1  LYS  10           3HZ      LYS  10  -1.930  -8.508 -11.754
   88    HZ2  LYS  10           1HZ      LYS  10  -0.886  -7.549 -10.831
   89    HZ3  LYS  10           2HZ      LYS  10  -1.994  -6.822 -11.881
   90    H    GLY  11           H        GLY  11  -1.156  -7.148  -4.142
   91    HA2  GLY  11           1HA      GLY  11  -2.244  -4.502  -3.595
   92    HA3  GLY  11           2HA      GLY  11  -1.190  -5.440  -2.541
   93    H    THR  12           H        THR  12  -1.249  -2.646  -4.048
   94    HA   THR  12           HA       THR  12   1.375  -2.785  -5.315
   95    HB   THR  12           HB       THR  12   0.788  -0.290  -5.776
   96    HG1  THR  12           HG1      THR  12  -1.142  -0.648  -4.256
   97   HG21  THR  12          1HG2      THR  12  -0.767  -2.525  -7.074
   98   HG22  THR  12          2HG2      THR  12   0.888  -2.060  -7.469
   99   HG23  THR  12          3HG2      THR  12  -0.441  -0.941  -7.779
  100    H    CYS  13           H        CYS  13   3.189  -1.946  -4.460
  101    HA   CYS  13           HA       CYS  13   3.088  -0.954  -1.753
  102    HB2  CYS  13           1HB      CYS  13   5.574  -1.023  -3.457
  103    HB3  CYS  13           2HB      CYS  13   5.428  -1.152  -1.712
  104    HG   CYS  13           HG       CYS  13   5.620  -3.691  -1.697
  105    H    LYS  14           H        LYS  14   2.446   1.051  -1.453
  106    HA   LYS  14           HA       LYS  14   3.722   3.166  -3.044
  107    HB2  LYS  14           1HB      LYS  14   1.586   4.491  -2.718
  108    HB3  LYS  14           2HB      LYS  14   1.485   3.142  -3.840
  109    HG2  LYS  14           1HG      LYS  14   0.354   1.796  -2.228
  110    HG3  LYS  14           2HG      LYS  14   0.619   2.997  -0.967
  111    HD2  LYS  14           1HD      LYS  14  -1.675   3.081  -1.782
  112    HD3  LYS  14           2HD      LYS  14  -0.819   4.575  -2.158
  113    HE2  LYS  14           1HE      LYS  14  -0.953   2.367  -4.169
  114    HE3  LYS  14           2HE      LYS  14  -2.328   3.445  -3.952
  115    HZ1  LYS  14           3HZ      LYS  14  -0.834   4.178  -5.721
  116    HZ2  LYS  14           1HZ      LYS  14   0.431   4.321  -4.613
  117    HZ3  LYS  14           2HZ      LYS  14  -0.924   5.320  -4.478
  118    H    ASN  15           H        ASN  15   3.493   5.357  -1.808
  119    HA   ASN  15           HA       ASN  15   4.702   4.903   0.746
  120    HB2  ASN  15           1HB      ASN  15   5.054   6.847  -1.015
  121    HB3  ASN  15           2HB      ASN  15   3.805   7.603  -0.047
  122   HD21  ASN  15          1HD2      ASN  15   4.696   6.255   2.411
  123   HD22  ASN  15          2HD2      ASN  15   6.131   7.083   2.899
  124    H    ASN  16           H        ASN  16   1.838   6.748  -0.248
  125    HA   ASN  16           HA       ASN  16   0.653   6.175   2.396
  126    HB2  ASN  16           1HB      ASN  16  -0.674   8.213   2.127
  127    HB3  ASN  16           2HB      ASN  16   1.041   8.577   1.994
  128   HD21  ASN  16          1HD2      ASN  16   1.904   9.096  -0.042
  129   HD22  ASN  16          2HD2      ASN  16   0.892   9.654  -1.331
  130    H    CYS  17           H        CYS  17  -1.373   5.286   2.494
  131    HA   CYS  17           HA       CYS  17  -2.194   3.789   0.210
  132    HB2  CYS  17           1HB      CYS  17  -3.764   4.175   2.758
  133    HB3  CYS  17           2HB      CYS  17  -3.847   2.825   1.636
  134    HG   CYS  17           HG       CYS  17  -1.022   2.227   2.253
  135    H    GLY  18           H        GLY  18  -3.880   4.089  -1.146
  136    HA2  GLY  18           1HA      GLY  18  -5.049   6.767  -1.141
  137    HA3  GLY  18           2HA      GLY  18  -4.962   5.676  -2.513
  138    H    LYS  19           H        LYS  19  -7.140   6.148  -2.885
  139    HA   LYS  19           HA       LYS  19  -9.330   5.989  -1.329
  140    HB2  LYS  19           1HB      LYS  19 -10.605   5.718  -3.276
  141    HB3  LYS  19           2HB      LYS  19  -9.141   6.511  -3.813
  142    HG2  LYS  19           1HG      LYS  19  -9.918   3.630  -4.207
  143    HG3  LYS  19           2HG      LYS  19  -9.764   4.880  -5.435
  144    HD2  LYS  19           1HD      LYS  19  -7.489   3.772  -3.788
  145    HD3  LYS  19           2HD      LYS  19  -7.884   3.275  -5.430
  146    HE2  LYS  19           1HE      LYS  19  -7.420   5.508  -6.245
  147    HE3  LYS  19           2HE      LYS  19  -7.120   6.068  -4.602
  148    HZ1  LYS  19           3HZ      LYS  19  -5.287   4.401  -4.490
  149    HZ2  LYS  19           1HZ      LYS  19  -5.029   5.643  -5.621
  150    HZ3  LYS  19           2HZ      LYS  19  -5.516   4.110  -6.144
  151    H    ASN  20           H        ASN  20  -9.925   4.583   0.131
  152    HA   ASN  20           HA       ASN  20 -10.544   2.670   1.174
  153    HB2  ASN  20           1HB      ASN  20 -10.869   1.721  -1.677
  154    HB3  ASN  20           2HB      ASN  20 -11.417   0.815  -0.270
  155   HD21  ASN  20          1HD2      ASN  20 -13.139   1.618   0.956
  156   HD22  ASN  20          2HD2      ASN  20 -14.236   2.790   0.311
  157    H    GLU  21           H        GLU  21  -7.657   3.038   0.189
  158    HA   GLU  21           HA       GLU  21  -6.799   0.246   0.100
  159    HB2  GLU  21           1HB      GLU  21  -5.353   2.859  -0.375
  160    HB3  GLU  21           2HB      GLU  21  -4.513   1.318  -0.294
  161    HG2  GLU  21           1HG      GLU  21  -5.779   0.500  -2.186
  162    HG3  GLU  21           2HG      GLU  21  -6.710   1.993  -2.243
  163    H    GLU  22           H        GLU  22  -5.655  -0.732   1.669
  164    HA   GLU  22           HA       GLU  22  -5.057   0.858   4.071
  165    HB2  GLU  22           1HB      GLU  22  -5.497  -1.238   5.368
  166    HB3  GLU  22           2HB      GLU  22  -6.915  -0.522   4.624
  167    HG2  GLU  22           1HG      GLU  22  -6.740  -2.177   2.800
  168    HG3  GLU  22           2HG      GLU  22  -5.383  -2.920   3.644
  169    H    LEU  23           H        LEU  23  -3.297   0.117   5.360
  170    HA   LEU  23           HA       LEU  23  -1.066  -0.807   3.764
  171    HB2  LEU  23           1HB      LEU  23  -1.206   0.997   5.709
  172    HB3  LEU  23           2HB      LEU  23  -0.939  -0.400   6.711
  173    HG   LEU  23           HG       LEU  23   0.924   0.495   4.519
  174   HD11  LEU  23          1HD1      LEU  23   2.360   1.214   6.419
  175   HD12  LEU  23          2HD1      LEU  23   0.993   0.948   7.498
  176   HD13  LEU  23          3HD1      LEU  23   0.893   2.171   6.233
  177   HD21  LEU  23          3HD2      LEU  23   2.481  -1.048   5.583
  178   HD22  LEU  23          1HD2      LEU  23   1.030  -1.883   5.031
  179   HD23  LEU  23          2HD2      LEU  23   1.232  -1.508   6.739
  180    H    ILE  24           H        ILE  24  -0.608  -2.904   3.570
  181    HA   ILE  24           HA       ILE  24  -1.670  -4.730   5.624
  182    HB   ILE  24           HB       ILE  24  -2.317  -6.266   4.026
  183   HG12  ILE  24          1HG1      ILE  24  -1.321  -5.705   1.532
  184   HG13  ILE  24          2HG1      ILE  24   0.050  -5.326   2.572
  185   HG21  ILE  24          1HG2      ILE  24  -3.557  -4.159   3.763
  186   HG22  ILE  24          2HG2      ILE  24  -3.486  -5.108   2.279
  187   HG23  ILE  24          3HG2      ILE  24  -2.446  -3.698   2.470
  188   HD11  ILE  24          3HD1      ILE  24   0.150  -7.624   1.818
  189   HD12  ILE  24          1HD1      ILE  24  -1.449  -7.936   2.493
  190   HD13  ILE  24          2HD1      ILE  24  -0.097  -7.561   3.562
  191    H    ALA  25           H        ALA  25   1.157  -3.704   3.953
  192    HA   ALA  25           HA       ALA  25   2.792  -5.420   5.590
  193    HB1  ALA  25           3HB      ALA  25   2.854  -5.757   2.594
  194    HB2  ALA  25           1HB      ALA  25   2.260  -6.941   3.757
  195    HB3  ALA  25           2HB      ALA  25   3.970  -6.500   3.742
  196    H    LEU  26           H        LEU  26   4.930  -4.806   5.660
  197    HA   LEU  26           HA       LEU  26   5.397  -2.079   4.709
  198    HB2  LEU  26           1HB      LEU  26   6.598  -3.755   6.889
  199    HB3  LEU  26           2HB      LEU  26   7.331  -2.243   6.377
  200    HG   LEU  26           HG       LEU  26   4.563  -2.569   7.546
  201   HD11  LEU  26          1HD1      LEU  26   6.303  -2.892   9.200
  202   HD12  LEU  26          2HD1      LEU  26   5.497  -1.344   9.453
  203   HD13  LEU  26          3HD1      LEU  26   7.088  -1.397   8.696
  204   HD21  LEU  26          3HD2      LEU  26   4.529  -0.119   7.591
  205   HD22  LEU  26          1HD2      LEU  26   4.625  -0.742   5.944
  206   HD23  LEU  26          2HD2      LEU  26   6.064  -0.086   6.725
  207    H    CYS  27           H        CYS  27   6.605  -1.806   2.988
  208    HA   CYS  27           HA       CYS  27   8.353  -3.967   2.087
  209    HB2  CYS  27           1HB      CYS  27   7.465  -1.457   0.645
  210    HB3  CYS  27           2HB      CYS  27   8.293  -2.831  -0.075
  211    HG   CYS  27           HG       CYS  27   6.226  -4.536  -0.080
  212    H    GLN  28           H        GLN  28  10.322  -2.961   0.769
  213    HA   GLN  28           HA       GLN  28  11.866  -1.408   2.660
  214    HB2  GLN  28           1HB      GLN  28  12.662  -2.422  -0.065
  215    HB3  GLN  28           2HB      GLN  28  13.741  -1.809   1.173
  216    HG2  GLN  28           1HG      GLN  28  12.045  -4.275   1.470
  217    HG3  GLN  28           2HG      GLN  28  13.734  -4.275   0.975
  218   HE21  GLN  28          1HE2      GLN  28  14.481  -2.119   2.762
  219   HE22  GLN  28          2HE2      GLN  28  14.501  -2.789   4.355
  220    H    LYS  29           H        LYS  29  13.277   0.380   1.642
  221    HA   LYS  29           HA       LYS  29  13.455   2.439   0.672
  222    HB2  LYS  29           1HB      LYS  29  11.466   1.312  -1.288
  223    HB3  LYS  29           2HB      LYS  29  12.387   2.787  -1.523
  224    HG2  LYS  29           1HG      LYS  29  14.411   1.609  -1.744
  225    HG3  LYS  29           2HG      LYS  29  13.705   0.124  -1.102
  226    HD2  LYS  29           1HD      LYS  29  12.870   1.429  -3.692
  227    HD3  LYS  29           2HD      LYS  29  14.025   0.100  -3.574
  228    HE2  LYS  29           1HE      LYS  29  12.309  -1.310  -2.559
  229    HE3  LYS  29           2HE      LYS  29  11.150   0.016  -2.644
  230    HZ1  LYS  29           3HZ      LYS  29  12.456  -1.273  -4.977
  231    HZ2  LYS  29           1HZ      LYS  29  11.315  -0.026  -5.041
  232    HZ3  LYS  29           2HZ      LYS  29  10.870  -1.552  -4.465
  233    H    SER  30           H        SER  30  11.115   1.567   2.472
  234    HA   SER  30           HA       SER  30   9.583   2.656   3.717
  235    HB2  SER  30           1HB      SER  30  10.269   5.043   1.998
  236    HB3  SER  30           2HB      SER  30   9.193   5.094   3.395
  237    HG   SER  30           HG       SER  30  11.892   4.205   3.463
  238    H    LEU  31           H        LEU  31   9.111   1.580   0.746
  239    HA   LEU  31           HA       LEU  31   6.475   2.611   0.291
  240    HB2  LEU  31           1HB      LEU  31   8.019   0.274  -0.822
  241    HB3  LEU  31           2HB      LEU  31   6.341   0.539  -1.219
  242    HG   LEU  31           HG       LEU  31   7.852   1.368  -2.939
  243   HD11  LEU  31          1HD1      LEU  31   6.350   3.550  -1.514
  244   HD12  LEU  31          2HD1      LEU  31   5.673   2.403  -2.671
  245   HD13  LEU  31          3HD1      LEU  31   6.870   3.588  -3.199
  246   HD21  LEU  31          3HD2      LEU  31   9.750   2.002  -1.595
  247   HD22  LEU  31          1HD2      LEU  31   8.814   3.299  -0.855
  248   HD23  LEU  31          2HD2      LEU  31   9.204   3.361  -2.574
  249    H    LYS  32           H        LYS  32   4.506   1.472   0.597
  250    HA   LYS  32           HA       LYS  32   4.647  -0.837   2.424
  251    HB2  LYS  32           1HB      LYS  32   2.623   1.412   2.569
  252    HB3  LYS  32           2HB      LYS  32   2.637  -0.023   3.578
  253    HG2  LYS  32           1HG      LYS  32   3.556   1.538   4.979
  254    HG3  LYS  32           2HG      LYS  32   5.001   0.817   4.273
  255    HD2  LYS  32           1HD      LYS  32   5.157   2.656   2.681
  256    HD3  LYS  32           2HD      LYS  32   3.681   3.366   3.337
  257    HE2  LYS  32           1HE      LYS  32   6.210   2.904   4.911
  258    HE3  LYS  32           2HE      LYS  32   5.764   4.436   4.164
  259    HZ1  LYS  32           3HZ      LYS  32   3.785   4.492   5.552
  260    HZ2  LYS  32           1HZ      LYS  32   5.180   4.390   6.501
  261    HZ3  LYS  32           2HZ      LYS  32   4.215   3.024   6.267
  262    H    CYS  33           H        CYS  33   3.297  -2.527   1.883
  263    HA   CYS  33           HA       CYS  33   2.109  -2.376  -0.724
  264    HB2  CYS  33           1HB      CYS  33   3.025  -4.477   0.890
  265    HB3  CYS  33           2HB      CYS  33   1.283  -4.715   0.762
  266    HG   CYS  33           HG       CYS  33   3.386  -4.350  -1.921
  267    H    CYS  34           H        CYS  34   0.314  -1.338  -1.018
  268    HA   CYS  34           HA       CYS  34  -1.752  -1.442   1.068
  269    HB2  CYS  34           1HB      CYS  34  -1.408   0.617  -1.120
  270    HB3  CYS  34           2HB      CYS  34  -2.540   0.686   0.227
  271    HG   CYS  34           HG       CYS  34   0.860   0.719   0.627
  272    H    ARG  35           H        ARG  35  -3.598  -2.397   0.622
  273    HA   ARG  35           HA       ARG  35  -4.022  -3.416  -2.092
  274    HB2  ARG  35           1HB      ARG  35  -5.387  -4.109   0.514
  275    HB3  ARG  35           2HB      ARG  35  -5.712  -4.880  -1.027
  276    HG2  ARG  35           1HG      ARG  35  -3.496  -5.800  -1.098
  277    HG3  ARG  35           2HG      ARG  35  -3.045  -4.914   0.361
  278    HD2  ARG  35           1HD      ARG  35  -3.529  -7.091   1.114
  279    HD3  ARG  35           2HD      ARG  35  -4.963  -6.139   1.493
  280    HE   ARG  35           HE       ARG  35  -5.127  -7.438  -1.060
  281   HH11  ARG  35          1HH1      ARG  35  -5.683  -7.774   2.379
  282   HH12  ARG  35          2HH1      ARG  35  -6.838  -9.056   2.200
  283   HH21  ARG  35          1HH2      ARG  35  -6.676  -9.111  -1.304
  284   HH22  ARG  35          2HH2      ARG  35  -7.416  -9.803   0.104
  285    H    THR  36           H        THR  36  -5.585  -2.672  -3.381
  286    HA   THR  36           HA       THR  36  -7.257  -0.485  -2.524
  287    HB   THR  36           HB       THR  36  -7.417  -1.958  -5.160
  288    HG1  THR  36           HG1      THR  36  -5.443  -0.286  -4.149
  289   HG21  THR  36          1HG2      THR  36  -8.224   0.193  -5.999
  290   HG22  THR  36          2HG2      THR  36  -8.040   0.897  -4.392
  291   HG23  THR  36          3HG2      THR  36  -9.233  -0.372  -4.665
  292    H    ILE  37           H        ILE  37  -8.597  -1.304  -0.981
  293    HA   ILE  37           HA       ILE  37  -9.930  -3.797  -1.211
  294    HB   ILE  37           HB       ILE  37 -10.497  -1.499   0.656
  295   HG12  ILE  37          1HG1      ILE  37  -8.160  -2.082   0.805
  296   HG13  ILE  37          2HG1      ILE  37  -8.983  -2.713   2.218
  297   HG21  ILE  37          1HG2      ILE  37 -11.193  -3.461   2.154
  298   HG22  ILE  37          2HG2      ILE  37 -11.277  -4.385   0.654
  299   HG23  ILE  37          3HG2      ILE  37 -12.288  -2.960   0.868
  300   HD11  ILE  37          3HD1      ILE  37  -8.056  -4.253  -0.184
  301   HD12  ILE  37          1HD1      ILE  37  -9.049  -4.931   1.103
  302   HD13  ILE  37          2HD1      ILE  37  -7.429  -4.343   1.462
  303    H    GLN  38           H        GLN  38 -12.047  -4.261  -1.643
  304    HA   GLN  38           HA       GLN  38 -13.492  -2.359  -3.251
  305    HB2  GLN  38           1HB      GLN  38 -15.145  -4.258  -3.448
  306    HB3  GLN  38           2HB      GLN  38 -13.529  -4.599  -4.042
  307    HG2  GLN  38           1HG      GLN  38 -13.013  -5.851  -2.046
  308    HG3  GLN  38           2HG      GLN  38 -14.569  -5.425  -1.342
  309   HE21  GLN  38          1HE2      GLN  38 -15.203  -7.560  -1.128
  310   HE22  GLN  38          2HE2      GLN  38 -15.639  -8.534  -2.486
  311    HA   PRO  39           HA       PRO  39 -15.980  -1.022   0.239
  312    HB2  PRO  39           1HB      PRO  39 -17.446   0.681  -1.554
  313    HB3  PRO  39           2HB      PRO  39 -16.218   1.139  -0.375
  314    HG2  PRO  39           1HG      PRO  39 -15.893   1.321  -3.095
  315    HG3  PRO  39           2HG      PRO  39 -14.559   1.172  -1.937
  316    HD2  PRO  39           1HD      PRO  39 -15.831  -0.928  -3.648
  317    HD3  PRO  39           2HD      PRO  39 -14.119  -0.680  -3.242
  318    H    SER  40           H        SER  40 -18.482  -0.368   0.308
  319    HA   SER  40           HA       SER  40 -20.674  -0.896   0.071
  320    HB2  SER  40           1HB      SER  40 -20.214  -1.225  -2.385
  321    HB3  SER  40           2HB      SER  40 -19.936  -2.929  -2.036
  322    HG   SER  40           HG       SER  40 -22.005  -3.215  -2.011
  323    H    GLY  41           H        GLY  41 -18.524  -3.680  -0.089
  324    HA2  GLY  41           1HA      GLY  41 -20.236  -5.075   1.854
  325    HA3  GLY  41           2HA      GLY  41 -18.988  -5.824   0.866
  326    H    SER  42           H        SER  42 -18.815  -6.531   3.378
  327    HA   SER  42           HA       SER  42 -17.347  -4.758   5.061
  328    HB2  SER  42           1HB      SER  42 -17.466  -7.742   5.154
  329    HB3  SER  42           2HB      SER  42 -16.969  -6.686   6.469
  330    HG   SER  42           HG       SER  42 -19.547  -6.623   5.262
  331    H    ILE  43           H        ILE  43 -15.845  -4.143   3.439
  332    HA   ILE  43           HA       ILE  43 -13.820  -4.118   2.393
  333    HB   ILE  43           HB       ILE  43 -11.935  -4.806   4.059
  334   HG12  ILE  43          1HG1      ILE  43 -14.157  -4.431   6.061
  335   HG13  ILE  43          2HG1      ILE  43 -13.736  -6.049   5.512
  336   HG21  ILE  43          1HG2      ILE  43 -13.854  -2.548   4.618
  337   HG22  ILE  43          2HG2      ILE  43 -12.532  -2.527   3.452
  338   HG23  ILE  43          3HG2      ILE  43 -12.185  -2.641   5.177
  339   HD11  ILE  43          3HD1      ILE  43 -12.635  -5.529   7.601
  340   HD12  ILE  43          1HD1      ILE  43 -11.914  -4.084   6.892
  341   HD13  ILE  43          2HD1      ILE  43 -11.439  -5.680   6.314
  342    H    ILE  44           H        ILE  44 -12.100  -6.485   4.028
  343    HA   ILE  44           HA       ILE  44 -12.569  -8.477   1.937
  344    HB   ILE  44           HB       ILE  44 -10.220  -8.898   1.703
  345   HG12  ILE  44          1HG1      ILE  44  -9.551  -8.236   4.039
  346   HG13  ILE  44          2HG1      ILE  44  -8.463  -7.686   2.775
  347   HG21  ILE  44          1HG2      ILE  44 -10.810  -5.977   1.411
  348   HG22  ILE  44          2HG2      ILE  44 -11.208  -7.241   0.246
  349   HG23  ILE  44          3HG2      ILE  44  -9.519  -6.851   0.582
  350   HD11  ILE  44          3HD1      ILE  44  -9.556  -5.445   2.908
  351   HD12  ILE  44          1HD1      ILE  44  -8.720  -5.944   4.380
  352   HD13  ILE  44          2HD1      ILE  44 -10.473  -6.045   4.289
  353    H    ASP  45           H        ASP  45 -13.027  -8.003   4.992
  354    HA   ASP  45           HA       ASP  45 -12.122 -10.670   5.786
  355    HB2  ASP  45           1HB      ASP  45 -10.470  -9.042   6.646
  356    HB3  ASP  45           2HB      ASP  45 -11.762  -8.194   7.489
  Start of MODEL    2
    1    H    PHE   1           1H       PHE   1  10.336 -11.160   0.037
    2    HA   PHE   1           HA       PHE   1   8.617 -13.447   0.765
    3    HB2  PHE   1           1HB      PHE   1  10.387 -11.675   2.462
    4    HB3  PHE   1           2HB      PHE   1   9.206 -12.805   3.111
    5    HD1  PHE   1           HD1      PHE   1   9.537 -15.228   2.840
    6    HD2  PHE   1           HD2      PHE   1  12.497 -12.412   1.658
    7    HE1  PHE   1           HE1      PHE   1  11.220 -17.021   2.800
    8    HE2  PHE   1           HE2      PHE   1  14.187 -14.199   1.613
    9    HZ   PHE   1           HZ       PHE   1  13.549 -16.508   2.186
   10    H    PHE   2           H        PHE   2   9.214 -10.056   1.718
   11    HA   PHE   2           HA       PHE   2   6.693  -9.622   2.783
   12    HB2  PHE   2           1HB      PHE   2   8.730  -7.724   1.648
   13    HB3  PHE   2           2HB      PHE   2   7.216  -7.155   2.341
   14    HD1  PHE   2           HD1      PHE   2   6.709  -7.668   4.734
   15    HD2  PHE   2           HD2      PHE   2  10.543  -8.331   3.019
   16    HE1  PHE   2           HE1      PHE   2   7.701  -7.727   6.983
   17    HE2  PHE   2           HE2      PHE   2  11.542  -8.391   5.262
   18    HZ   PHE   2           HZ       PHE   2  10.119  -8.088   7.249
   19    H    ASP   3           H        ASP   3   7.827  -8.614  -0.471
   20    HA   ASP   3           HA       ASP   3   5.074  -8.008  -1.110
   21    HB2  ASP   3           1HB      ASP   3   5.880  -7.100  -3.211
   22    HB3  ASP   3           2HB      ASP   3   6.739  -6.406  -1.845
   23    H    GLU   4           H        GLU   4   6.815 -10.749  -1.101
   24    HA   GLU   4           HA       GLU   4   5.691 -12.009  -3.420
   25    HB2  GLU   4           1HB      GLU   4   7.653 -12.900  -2.077
   26    HB3  GLU   4           2HB      GLU   4   6.509 -13.319  -0.812
   27    HG2  GLU   4           1HG      GLU   4   7.063 -15.253  -2.157
   28    HG3  GLU   4           2HG      GLU   4   5.361 -14.831  -2.337
   29    H    LYS   5           H        LYS   5   4.867 -11.599  -0.039
   30    HA   LYS   5           HA       LYS   5   2.304 -12.776  -0.097
   31    HB2  LYS   5           1HB      LYS   5   3.607 -12.174   1.961
   32    HB3  LYS   5           2HB      LYS   5   3.273 -10.485   1.620
   33    HG2  LYS   5           1HG      LYS   5   1.757 -11.240   3.304
   34    HG3  LYS   5           2HG      LYS   5   0.848 -10.979   1.814
   35    HD2  LYS   5           1HD      LYS   5   0.759 -13.321   1.366
   36    HD3  LYS   5           2HD      LYS   5   1.905 -13.667   2.662
   37    HE2  LYS   5           1HE      LYS   5  -0.864 -12.523   3.026
   38    HE3  LYS   5           2HE      LYS   5  -0.410 -14.205   3.298
   39    HZ1  LYS   5           3HZ      LYS   5   0.583 -11.837   4.791
   40    HZ2  LYS   5           1HZ      LYS   5   1.163 -13.412   5.000
   41    HZ3  LYS   5           2HZ      LYS   5  -0.443 -13.046   5.376
   42    H    CYS   6           H        CYS   6   3.512  -9.505  -0.716
   43    HA   CYS   6           HA       CYS   6   1.076  -8.183  -1.040
   44    HB2  CYS   6           1HB      CYS   6   3.366  -7.123  -0.942
   45    HB3  CYS   6           2HB      CYS   6   3.612  -7.643  -2.603
   46    HG   CYS   6           HG       CYS   6   2.068  -5.869  -3.790
   47    H    ASN   7           H        ASN   7   3.036  -9.987  -3.362
   48    HA   ASN   7           HA       ASN   7   1.545  -9.490  -5.673
   49    HB2  ASN   7           1HB      ASN   7   3.790 -10.619  -5.558
   50    HB3  ASN   7           2HB      ASN   7   2.971 -12.070  -5.003
   51   HD21  ASN   7          1HD2      ASN   7   3.494 -13.322  -6.746
   52   HD22  ASN   7          2HD2      ASN   7   2.860 -13.054  -8.332
   53    H    LYS   8           H        LYS   8   1.270 -12.045  -3.254
   54    HA   LYS   8           HA       LYS   8  -0.814 -13.493  -4.424
   55    HB2  LYS   8           1HB      LYS   8   0.451 -14.382  -2.555
   56    HB3  LYS   8           2HB      LYS   8  -0.146 -13.107  -1.502
   57    HG2  LYS   8           1HG      LYS   8  -1.294 -15.200  -1.071
   58    HG3  LYS   8           2HG      LYS   8  -2.413 -13.991  -1.704
   59    HD2  LYS   8           1HD      LYS   8  -2.180 -15.003  -3.948
   60    HD3  LYS   8           2HD      LYS   8  -1.140 -16.248  -3.253
   61    HE2  LYS   8           1HE      LYS   8  -4.018 -15.719  -2.521
   62    HE3  LYS   8           2HE      LYS   8  -3.428 -17.054  -3.510
   63    HZ1  LYS   8           3HZ      LYS   8  -2.168 -17.847  -1.594
   64    HZ2  LYS   8           1HZ      LYS   8  -3.824 -17.769  -1.253
   65    HZ3  LYS   8           2HZ      LYS   8  -2.781 -16.584  -0.650
   66    H    LEU   9           H        LEU   9  -0.944 -10.716  -2.207
   67    HA   LEU   9           HA       LEU   9  -3.838 -10.743  -2.231
   68    HB2  LEU   9           1HB      LEU   9  -1.809  -8.953  -0.927
   69    HB3  LEU   9           2HB      LEU   9  -3.509  -8.543  -0.946
   70    HG   LEU   9           HG       LEU   9  -3.097  -9.525   1.156
   71   HD11  LEU   9          1HD1      LEU   9  -4.496 -11.482   1.177
   72   HD12  LEU   9          2HD1      LEU   9  -4.257 -11.716  -0.553
   73   HD13  LEU   9          3HD1      LEU   9  -5.142 -10.307   0.032
   74   HD21  LEU   9          3HD2      LEU   9  -1.997 -11.653   1.488
   75   HD22  LEU   9          1HD2      LEU   9  -0.938 -10.541   0.619
   76   HD23  LEU   9          2HD2      LEU   9  -1.769 -11.832  -0.252
   77    H    LYS  10           H        LYS  10  -1.582  -9.746  -4.362
   78    HA   LYS  10           HA       LYS  10  -1.606  -8.472  -6.229
   79    HB2  LYS  10           1HB      LYS  10  -4.582  -8.349  -5.717
   80    HB3  LYS  10           2HB      LYS  10  -3.786  -7.919  -7.223
   81    HG2  LYS  10           1HG      LYS  10  -3.787 -10.651  -5.965
   82    HG3  LYS  10           2HG      LYS  10  -4.792 -10.140  -7.321
   83    HD2  LYS  10           1HD      LYS  10  -2.777  -9.716  -8.646
   84    HD3  LYS  10           2HD      LYS  10  -1.777 -10.226  -7.286
   85    HE2  LYS  10           1HE      LYS  10  -2.003 -12.023  -8.904
   86    HE3  LYS  10           2HE      LYS  10  -2.779 -12.451  -7.382
   87    HZ1  LYS  10           3HZ      LYS  10  -4.213 -11.401  -9.756
   88    HZ2  LYS  10           1HZ      LYS  10  -4.912 -11.970  -8.327
   89    HZ3  LYS  10           2HZ      LYS  10  -4.101 -13.038  -9.357
   90    H    GLY  11           H        GLY  11  -0.957  -7.182  -3.860
   91    HA2  GLY  11           1HA      GLY  11  -2.339  -4.596  -3.961
   92    HA3  GLY  11           2HA      GLY  11  -1.260  -5.139  -2.684
   93    H    THR  12           H        THR  12  -0.814  -2.684  -3.489
   94    HA   THR  12           HA       THR  12   1.603  -2.910  -5.148
   95    HB   THR  12           HB       THR  12   1.003  -0.409  -5.707
   96    HG1  THR  12           HG1      THR  12  -1.511  -1.584  -5.051
   97   HG21  THR  12          1HG2      THR  12   1.255  -2.176  -7.369
   98   HG22  THR  12          2HG2      THR  12  -0.135  -1.159  -7.752
   99   HG23  THR  12          3HG2      THR  12  -0.376  -2.748  -7.025
  100    H    CYS  13           H        CYS  13   3.402  -1.987  -4.309
  101    HA   CYS  13           HA       CYS  13   3.267  -1.001  -1.609
  102    HB2  CYS  13           1HB      CYS  13   5.788  -0.856  -3.214
  103    HB3  CYS  13           2HB      CYS  13   5.554  -1.281  -1.525
  104    HG   CYS  13           HG       CYS  13   5.841  -3.781  -1.918
  105    H    LYS  14           H        LYS  14   2.581   0.998  -1.287
  106    HA   LYS  14           HA       LYS  14   3.892   3.153  -2.784
  107    HB2  LYS  14           1HB      LYS  14   1.814   4.425  -2.896
  108    HB3  LYS  14           2HB      LYS  14   1.638   2.885  -3.727
  109    HG2  LYS  14           1HG      LYS  14   0.463   1.973  -1.798
  110    HG3  LYS  14           2HG      LYS  14   0.652   3.511  -0.954
  111    HD2  LYS  14           1HD      LYS  14  -1.555   3.427  -1.872
  112    HD3  LYS  14           2HD      LYS  14  -0.618   4.603  -2.796
  113    HE2  LYS  14           1HE      LYS  14  -0.262   2.946  -4.552
  114    HE3  LYS  14           2HE      LYS  14  -1.159   1.749  -3.619
  115    HZ1  LYS  14           3HZ      LYS  14  -3.126   3.133  -3.788
  116    HZ2  LYS  14           1HZ      LYS  14  -2.532   2.753  -5.329
  117    HZ3  LYS  14           2HZ      LYS  14  -2.265   4.290  -4.678
  118    H    ASN  15           H        ASN  15   3.336   5.335  -1.553
  119    HA   ASN  15           HA       ASN  15   4.223   4.823   1.159
  120    HB2  ASN  15           1HB      ASN  15   4.053   7.335  -0.498
  121    HB3  ASN  15           2HB      ASN  15   4.592   7.311   1.171
  122   HD21  ASN  15          1HD2      ASN  15   6.587   6.373   1.673
  123   HD22  ASN  15          2HD2      ASN  15   7.772   6.055   0.450
  124    H    ASN  16           H        ASN  16   1.697   6.784  -0.447
  125    HA   ASN  16           HA       ASN  16   0.235   6.739   2.114
  126    HB2  ASN  16           1HB      ASN  16  -0.853   8.800   1.480
  127    HB3  ASN  16           2HB      ASN  16   0.884   9.011   1.311
  128   HD21  ASN  16          1HD2      ASN  16   1.780   9.099  -0.784
  129   HD22  ASN  16          2HD2      ASN  16   0.806   9.509  -2.155
  130    H    CYS  17           H        CYS  17  -1.699   5.802   2.206
  131    HA   CYS  17           HA       CYS  17  -2.513   4.133   0.048
  132    HB2  CYS  17           1HB      CYS  17  -4.002   4.760   2.603
  133    HB3  CYS  17           2HB      CYS  17  -4.270   3.383   1.545
  134    HG   CYS  17           HG       CYS  17  -1.449   2.595   2.038
  135    H    GLY  18           H        GLY  18  -4.110   4.364  -1.400
  136    HA2  GLY  18           1HA      GLY  18  -5.316   7.000  -1.642
  137    HA3  GLY  18           2HA      GLY  18  -5.342   5.722  -2.846
  138    H    LYS  19           H        LYS  19  -7.586   6.156  -3.123
  139    HA   LYS  19           HA       LYS  19  -9.492   6.216  -1.130
  140    HB2  LYS  19           1HB      LYS  19 -11.038   5.307  -3.069
  141    HB3  LYS  19           2HB      LYS  19 -10.399   6.939  -3.078
  142    HG2  LYS  19           1HG      LYS  19 -10.133   6.143  -5.263
  143    HG3  LYS  19           2HG      LYS  19  -8.531   6.055  -4.543
  144    HD2  LYS  19           1HD      LYS  19  -8.743   3.684  -4.222
  145    HD3  LYS  19           2HD      LYS  19 -10.429   3.725  -4.738
  146    HE2  LYS  19           1HE      LYS  19  -8.999   2.895  -6.522
  147    HE3  LYS  19           2HE      LYS  19  -9.733   4.434  -6.969
  148    HZ1  LYS  19           3HZ      LYS  19  -6.965   4.071  -5.964
  149    HZ2  LYS  19           1HZ      LYS  19  -7.664   5.545  -6.409
  150    HZ3  LYS  19           2HZ      LYS  19  -7.398   4.347  -7.571
  151    H    ASN  20           H        ASN  20  -9.880   4.849   0.374
  152    HA   ASN  20           HA       ASN  20 -10.307   2.960   1.545
  153    HB2  ASN  20           1HB      ASN  20 -12.194   2.999  -0.197
  154    HB3  ASN  20           2HB      ASN  20 -11.295   1.733  -1.025
  155   HD21  ASN  20          1HD2      ASN  20 -12.928   0.231  -0.718
  156   HD22  ASN  20          2HD2      ASN  20 -13.262  -0.472   0.826
  157    H    GLU  21           H        GLU  21  -7.730   3.084   1.030
  158    HA   GLU  21           HA       GLU  21  -6.998   0.318   0.319
  159    HB2  GLU  21           1HB      GLU  21  -5.603   2.918  -0.211
  160    HB3  GLU  21           2HB      GLU  21  -4.637   1.470   0.030
  161    HG2  GLU  21           1HG      GLU  21  -5.932   0.383  -1.773
  162    HG3  GLU  21           2HG      GLU  21  -6.743   1.918  -2.072
  163    H    GLU  22           H        GLU  22  -5.628  -0.778   1.679
  164    HA   GLU  22           HA       GLU  22  -5.091   0.559   4.257
  165    HB2  GLU  22           1HB      GLU  22  -5.333  -1.687   5.297
  166    HB3  GLU  22           2HB      GLU  22  -6.813  -1.083   4.566
  167    HG2  GLU  22           1HG      GLU  22  -6.480  -2.511   2.644
  168    HG3  GLU  22           2HG      GLU  22  -4.939  -3.056   3.292
  169    H    LEU  23           H        LEU  23  -3.217  -0.128   5.435
  170    HA   LEU  23           HA       LEU  23  -1.012  -0.854   3.677
  171    HB2  LEU  23           1HB      LEU  23  -1.314   0.912   5.831
  172    HB3  LEU  23           2HB      LEU  23  -0.311  -0.384   6.444
  173    HG   LEU  23           HG       LEU  23   1.475   0.152   5.056
  174   HD11  LEU  23          1HD1      LEU  23   1.129   1.583   2.995
  175   HD12  LEU  23          2HD1      LEU  23  -0.598   1.289   3.205
  176   HD13  LEU  23          3HD1      LEU  23   0.506  -0.067   2.936
  177   HD21  LEU  23          3HD2      LEU  23   1.801   2.521   5.126
  178   HD22  LEU  23          1HD2      LEU  23   0.959   2.019   6.593
  179   HD23  LEU  23          2HD2      LEU  23   0.066   2.803   5.289
  180    H    ILE  24           H        ILE  24  -0.570  -2.921   3.465
  181    HA   ILE  24           HA       ILE  24  -1.544  -4.762   5.545
  182    HB   ILE  24           HB       ILE  24  -2.219  -6.261   3.845
  183   HG12  ILE  24          1HG1      ILE  24  -1.440  -5.394   1.370
  184   HG13  ILE  24          2HG1      ILE  24  -0.019  -5.013   2.329
  185   HG21  ILE  24          1HG2      ILE  24  -3.435  -4.074   3.966
  186   HG22  ILE  24          2HG2      ILE  24  -3.608  -4.952   2.450
  187   HG23  ILE  24          3HG2      ILE  24  -2.515  -3.570   2.546
  188   HD11  ILE  24          3HD1      ILE  24  -1.313  -7.717   2.099
  189   HD12  ILE  24          1HD1      ILE  24   0.110  -7.334   3.068
  190   HD13  ILE  24          2HD1      ILE  24   0.178  -7.202   1.311
  191    H    ALA  25           H        ALA  25   1.275  -3.768   3.817
  192    HA   ALA  25           HA       ALA  25   2.900  -5.572   5.386
  193    HB1  ALA  25           3HB      ALA  25   2.944  -5.860   2.381
  194    HB2  ALA  25           1HB      ALA  25   2.271  -7.036   3.510
  195    HB3  ALA  25           2HB      ALA  25   3.999  -6.686   3.528
  196    H    LEU  26           H        LEU  26   5.226  -5.229   4.963
  197    HA   LEU  26           HA       LEU  26   5.665  -2.432   4.177
  198    HB2  LEU  26           1HB      LEU  26   5.852  -2.695   6.520
  199    HB3  LEU  26           2HB      LEU  26   6.894  -4.082   6.374
  200    HG   LEU  26           HG       LEU  26   7.965  -1.951   7.183
  201   HD11  LEU  26          1HD1      LEU  26   9.992  -2.173   5.871
  202   HD12  LEU  26          2HD1      LEU  26   9.113  -3.089   4.646
  203   HD13  LEU  26          3HD1      LEU  26   9.314  -3.751   6.268
  204   HD21  LEU  26          3HD2      LEU  26   6.736  -0.400   5.702
  205   HD22  LEU  26          1HD2      LEU  26   7.639  -1.044   4.331
  206   HD23  LEU  26          2HD2      LEU  26   8.489  -0.194   5.617
  207    H    CYS  27           H        CYS  27   7.197  -1.977   2.822
  208    HA   CYS  27           HA       CYS  27   8.773  -4.199   1.701
  209    HB2  CYS  27           1HB      CYS  27   7.330  -1.938   0.332
  210    HB3  CYS  27           2HB      CYS  27   8.593  -2.854  -0.477
  211    HG   CYS  27           HG       CYS  27   6.285  -4.810   0.915
  212    H    GLN  28           H        GLN  28  10.541  -3.095   0.156
  213    HA   GLN  28           HA       GLN  28  12.261  -1.680   1.954
  214    HB2  GLN  28           1HB      GLN  28  12.681  -2.234  -0.977
  215    HB3  GLN  28           2HB      GLN  28  13.914  -1.818   0.198
  216    HG2  GLN  28           1HG      GLN  28  13.609  -3.896   1.350
  217    HG3  GLN  28           2HG      GLN  28  12.234  -4.307   0.331
  218   HE21  GLN  28          1HE2      GLN  28  13.546  -3.296  -2.088
  219   HE22  GLN  28          2HE2      GLN  28  14.729  -4.486  -2.505
  220    H    LYS  29           H        LYS  29  13.492   0.280   1.054
  221    HA   LYS  29           HA       LYS  29  13.480   2.503   0.557
  222    HB2  LYS  29           1HB      LYS  29  11.167   1.797  -1.242
  223    HB3  LYS  29           2HB      LYS  29  12.062   3.307  -1.281
  224    HG2  LYS  29           1HG      LYS  29  14.056   2.138  -1.996
  225    HG3  LYS  29           2HG      LYS  29  13.223   0.588  -1.855
  226    HD2  LYS  29           1HD      LYS  29  12.501   2.831  -3.744
  227    HD3  LYS  29           2HD      LYS  29  13.308   1.324  -4.180
  228    HE2  LYS  29           1HE      LYS  29  10.521   1.578  -3.039
  229    HE3  LYS  29           2HE      LYS  29  10.922   1.256  -4.724
  230    HZ1  LYS  29           3HZ      LYS  29  11.942  -0.821  -4.058
  231    HZ2  LYS  29           1HZ      LYS  29  10.339  -0.765  -3.530
  232    HZ3  LYS  29           2HZ      LYS  29  11.597  -0.511  -2.435
  233    H    SER  30           H        SER  30  11.468   1.099   2.445
  234    HA   SER  30           HA       SER  30  10.119   1.771   4.138
  235    HB2  SER  30           1HB      SER  30  10.279   4.565   2.992
  236    HB3  SER  30           2HB      SER  30   9.737   4.116   4.608
  237    HG   SER  30           HG       SER  30  12.344   3.678   3.560
  238    H    LEU  31           H        LEU  31   9.291   1.370   1.117
  239    HA   LEU  31           HA       LEU  31   6.675   2.500   0.987
  240    HB2  LEU  31           1HB      LEU  31   8.169   0.394  -0.549
  241    HB3  LEU  31           2HB      LEU  31   6.454   0.600  -0.797
  242    HG   LEU  31           HG       LEU  31   7.996   1.765  -2.428
  243   HD11  LEU  31          1HD1      LEU  31   6.004   3.442  -0.917
  244   HD12  LEU  31          2HD1      LEU  31   5.638   2.324  -2.231
  245   HD13  LEU  31          3HD1      LEU  31   6.599   3.769  -2.542
  246   HD21  LEU  31          3HD2      LEU  31   9.578   2.607  -0.708
  247   HD22  LEU  31          1HD2      LEU  31   8.335   3.744  -0.198
  248   HD23  LEU  31          2HD2      LEU  31   9.000   3.837  -1.829
  249    H    LYS  32           H        LYS  32   4.663   1.372   1.184
  250    HA   LYS  32           HA       LYS  32   4.811  -1.261   2.485
  251    HB2  LYS  32           1HB      LYS  32   3.112   1.083   3.316
  252    HB3  LYS  32           2HB      LYS  32   2.672  -0.567   3.719
  253    HG2  LYS  32           1HG      LYS  32   5.351  -0.233   4.505
  254    HG3  LYS  32           2HG      LYS  32   4.468   1.188   5.040
  255    HD2  LYS  32           1HD      LYS  32   2.796  -0.270   6.108
  256    HD3  LYS  32           2HD      LYS  32   3.759  -1.670   5.647
  257    HE2  LYS  32           1HE      LYS  32   4.123  -0.983   7.980
  258    HE3  LYS  32           2HE      LYS  32   5.591  -0.893   7.020
  259    HZ1  LYS  32           3HZ      LYS  32   5.222   1.507   6.796
  260    HZ2  LYS  32           1HZ      LYS  32   5.384   1.040   8.413
  261    HZ3  LYS  32           2HZ      LYS  32   3.855   1.390   7.784
  262    H    CYS  33           H        CYS  33   2.975  -2.607   2.122
  263    HA   CYS  33           HA       CYS  33   2.003  -2.313  -0.571
  264    HB2  CYS  33           1HB      CYS  33   1.499  -4.452   1.499
  265    HB3  CYS  33           2HB      CYS  33   1.090  -4.556  -0.204
  266    HG   CYS  33           HG       CYS  33   3.513  -4.979  -1.161
  267    H    CYS  34           H        CYS  34   0.222  -1.221  -1.034
  268    HA   CYS  34           HA       CYS  34  -1.940  -1.137   0.946
  269    HB2  CYS  34           1HB      CYS  34  -1.437   0.536  -1.522
  270    HB3  CYS  34           2HB      CYS  34  -2.875   0.666  -0.517
  271    HG   CYS  34           HG       CYS  34   0.176   1.054   0.918
  272    H    ARG  35           H        ARG  35  -3.719  -2.296   0.647
  273    HA   ARG  35           HA       ARG  35  -4.153  -3.526  -1.982
  274    HB2  ARG  35           1HB      ARG  35  -5.483  -4.174   0.661
  275    HB3  ARG  35           2HB      ARG  35  -5.691  -5.058  -0.845
  276    HG2  ARG  35           1HG      ARG  35  -3.369  -5.720  -0.818
  277    HG3  ARG  35           2HG      ARG  35  -3.088  -4.763   0.631
  278    HD2  ARG  35           1HD      ARG  35  -4.493  -7.368   0.325
  279    HD3  ARG  35           2HD      ARG  35  -3.315  -6.874   1.509
  280    HE   ARG  35           HE       ARG  35  -5.283  -5.402   2.335
  281   HH11  ARG  35          1HH1      ARG  35  -5.549  -8.625   0.997
  282   HH12  ARG  35          2HH1      ARG  35  -6.892  -9.067   1.998
  283   HH21  ARG  35          1HH2      ARG  35  -7.049  -5.990   3.659
  284   HH22  ARG  35          2HH2      ARG  35  -7.747  -7.576   3.500
  285    H    THR  36           H        THR  36  -5.633  -2.750  -3.265
  286    HA   THR  36           HA       THR  36  -7.255  -0.515  -2.468
  287    HB   THR  36           HB       THR  36  -7.382  -1.956  -5.113
  288    HG1  THR  36           HG1      THR  36  -5.418  -0.134  -4.122
  289   HG21  THR  36          1HG2      THR  36  -9.063  -0.228  -4.746
  290   HG22  THR  36          2HG2      THR  36  -7.902   0.295  -5.964
  291   HG23  THR  36          3HG2      THR  36  -7.805   0.930  -4.320
  292    H    ILE  37           H        ILE  37  -8.756  -1.211  -1.038
  293    HA   ILE  37           HA       ILE  37 -10.159  -3.645  -1.266
  294    HB   ILE  37           HB       ILE  37 -10.816  -1.194   0.357
  295   HG12  ILE  37          1HG1      ILE  37  -8.593  -1.872   0.888
  296   HG13  ILE  37          2HG1      ILE  37  -9.616  -2.482   2.173
  297   HG21  ILE  37          1HG2      ILE  37 -11.950  -2.842   1.851
  298   HG22  ILE  37          2HG2      ILE  37 -11.745  -4.044   0.575
  299   HG23  ILE  37          3HG2      ILE  37 -12.723  -2.609   0.284
  300   HD11  ILE  37          3HD1      ILE  37  -8.029  -4.166   1.628
  301   HD12  ILE  37          1HD1      ILE  37  -8.403  -4.040  -0.091
  302   HD13  ILE  37          2HD1      ILE  37  -9.595  -4.701   1.022
  303    H    GLN  38           H        GLN  38 -11.808  -4.151  -2.479
  304    HA   GLN  38           HA       GLN  38 -13.239  -2.140  -3.991
  305    HB2  GLN  38           1HB      GLN  38 -13.537  -5.149  -3.947
  306    HB3  GLN  38           2HB      GLN  38 -14.295  -4.060  -5.099
  307    HG2  GLN  38           1HG      GLN  38 -12.113  -3.421  -5.954
  308    HG3  GLN  38           2HG      GLN  38 -11.334  -4.480  -4.778
  309   HE21  GLN  38          1HE2      GLN  38 -13.199  -4.317  -7.700
  310   HE22  GLN  38          2HE2      GLN  38 -12.978  -5.968  -8.170
  311    HA   PRO  39           HA       PRO  39 -16.645  -1.907  -1.114
  312    HB2  PRO  39           1HB      PRO  39 -18.267  -1.157  -3.452
  313    HB3  PRO  39           2HB      PRO  39 -17.926  -0.237  -1.987
  314    HG2  PRO  39           1HG      PRO  39 -16.849   0.407  -4.371
  315    HG3  PRO  39           2HG      PRO  39 -15.994   0.664  -2.842
  316    HD2  PRO  39           1HD      PRO  39 -15.615  -1.467  -4.894
  317    HD3  PRO  39           2HD      PRO  39 -14.411  -0.631  -3.892
  318    H    SER  40           H        SER  40 -17.702  -3.638  -0.434
  319    HA   SER  40           HA       SER  40 -19.053  -5.458  -0.343
  320    HB2  SER  40           1HB      SER  40 -20.556  -4.219  -1.884
  321    HB3  SER  40           2HB      SER  40 -19.672  -4.911  -3.244
  322    HG   SER  40           HG       SER  40 -20.267  -7.010  -2.271
  323    H    GLY  41           H        GLY  41 -16.312  -5.192  -2.009
  324    HA2  GLY  41           1HA      GLY  41 -16.138  -7.640  -3.435
  325    HA3  GLY  41           2HA      GLY  41 -14.781  -6.666  -2.889
  326    H    SER  42           H        SER  42 -15.050  -9.561  -2.886
  327    HA   SER  42           HA       SER  42 -15.549 -10.384  -0.182
  328    HB2  SER  42           1HB      SER  42 -14.261 -11.892  -2.467
  329    HB3  SER  42           2HB      SER  42 -14.861 -12.597  -0.966
  330    HG   SER  42           HG       SER  42 -16.784 -11.097  -2.104
  331    H    ILE  43           H        ILE  43 -13.830 -11.781   0.922
  332    HA   ILE  43           HA       ILE  43 -11.740 -12.201   1.731
  333    HB   ILE  43           HB       ILE  43 -10.727 -10.334  -0.426
  334   HG12  ILE  43          1HG1      ILE  43 -10.792 -13.361  -0.344
  335   HG13  ILE  43          2HG1      ILE  43 -11.881 -12.351  -1.290
  336   HG21  ILE  43          1HG2      ILE  43  -9.129 -10.527   1.397
  337   HG22  ILE  43          2HG2      ILE  43  -8.539 -11.365  -0.037
  338   HG23  ILE  43          3HG2      ILE  43  -9.216 -12.285   1.306
  339   HD11  ILE  43          3HD1      ILE  43  -9.976 -11.512  -2.572
  340   HD12  ILE  43          1HD1      ILE  43 -10.119 -13.265  -2.675
  341   HD13  ILE  43          2HD1      ILE  43  -8.896 -12.542  -1.631
  342    H    ILE  44           H        ILE  44 -13.186  -9.140   1.582
  343    HA   ILE  44           HA       ILE  44 -11.567  -8.210   3.813
  344    HB   ILE  44           HB       ILE  44 -10.328  -7.221   2.092
  345   HG12  ILE  44          1HG1      ILE  44 -11.052  -4.734   2.215
  346   HG13  ILE  44          2HG1      ILE  44 -12.302  -5.311   3.305
  347   HG21  ILE  44          1HG2      ILE  44 -11.258  -6.001   0.212
  348   HG22  ILE  44          2HG2      ILE  44 -12.892  -6.301   0.805
  349   HG23  ILE  44          3HG2      ILE  44 -11.890  -7.649   0.262
  350   HD11  ILE  44          3HD1      ILE  44 -10.170  -4.414   4.320
  351   HD12  ILE  44          1HD1      ILE  44  -9.402  -5.896   3.755
  352   HD13  ILE  44          2HD1      ILE  44 -10.739  -5.981   4.906
  353    H    ASP  45           H        ASP  45 -14.259  -7.334   1.673
  354    HA   ASP  45           HA       ASP  45 -15.366  -5.526   3.604
  355    HB2  ASP  45           1HB      ASP  45 -15.608  -5.204   1.146
  356    HB3  ASP  45           2HB      ASP  45 -16.650  -6.622   1.093
  Start of MODEL    3
    1    H    PHE   1           1H       PHE   1  10.702 -11.300  -2.113
    2    HA   PHE   1           HA       PHE   1   8.886 -11.845  -4.378
    3    HB2  PHE   1           1HB      PHE   1  10.205 -13.718  -2.401
    4    HB3  PHE   1           2HB      PHE   1   9.058 -14.190  -3.648
    5    HD1  PHE   1           HD1      PHE   1   9.740 -13.479  -6.092
    6    HD2  PHE   1           HD2      PHE   1  12.449 -13.906  -2.839
    7    HE1  PHE   1           HE1      PHE   1  11.594 -13.783  -7.680
    8    HE2  PHE   1           HE2      PHE   1  14.307 -14.210  -4.422
    9    HZ   PHE   1           HZ       PHE   1  13.882 -14.146  -6.846
   10    H    PHE   2           H        PHE   2   9.258 -11.333  -0.940
   11    HA   PHE   2           HA       PHE   2   6.905 -12.506  -0.010
   12    HB2  PHE   2           1HB      PHE   2   8.310 -10.033   1.012
   13    HB3  PHE   2           2HB      PHE   2   7.057 -10.908   1.882
   14    HD1  PHE   2           HD1      PHE   2   7.637 -13.601   1.887
   15    HD2  PHE   2           HD2      PHE   2  10.417 -10.384   1.805
   16    HE1  PHE   2           HE1      PHE   2   9.340 -15.053   2.903
   17    HE2  PHE   2           HE2      PHE   2  12.129 -11.834   2.817
   18    HZ   PHE   2           HZ       PHE   2  11.591 -14.171   3.368
   19    H    ASP   3           H        ASP   3   7.423  -9.048  -0.784
   20    HA   ASP   3           HA       ASP   3   4.574  -8.653  -0.745
   21    HB2  ASP   3           1HB      ASP   3   5.054  -6.306  -1.230
   22    HB3  ASP   3           2HB      ASP   3   5.910  -6.896   0.186
   23    H    GLU   4           H        GLU   4   6.648  -9.770  -2.993
   24    HA   GLU   4           HA       GLU   4   5.434  -8.752  -5.353
   25    HB2  GLU   4           1HB      GLU   4   7.595  -9.928  -5.390
   26    HB3  GLU   4           2HB      GLU   4   6.808 -11.401  -4.842
   27    HG2  GLU   4           1HG      GLU   4   5.549 -11.529  -6.898
   28    HG3  GLU   4           2HG      GLU   4   6.246 -10.002  -7.441
   29    H    LYS   5           H        LYS   5   4.912 -11.538  -3.257
   30    HA   LYS   5           HA       LYS   5   2.540 -12.389  -4.577
   31    HB2  LYS   5           1HB      LYS   5   3.979 -13.848  -3.131
   32    HB3  LYS   5           2HB      LYS   5   3.383 -12.963  -1.737
   33    HG2  LYS   5           1HG      LYS   5   2.203 -15.069  -2.020
   34    HG3  LYS   5           2HG      LYS   5   1.112 -13.697  -2.220
   35    HD2  LYS   5           1HD      LYS   5   0.640 -15.344  -3.919
   36    HD3  LYS   5           2HD      LYS   5   1.349 -13.919  -4.676
   37    HE2  LYS   5           1HE      LYS   5   2.320 -15.894  -5.649
   38    HE3  LYS   5           2HE      LYS   5   3.543 -15.068  -4.688
   39    HZ1  LYS   5           3HZ      LYS   5   3.228 -16.651  -2.929
   40    HZ2  LYS   5           1HZ      LYS   5   3.533 -17.487  -4.365
   41    HZ3  LYS   5           2HZ      LYS   5   1.959 -17.400  -3.756
   42    H    CYS   6           H        CYS   6   3.301 -10.071  -2.049
   43    HA   CYS   6           HA       CYS   6   0.665  -9.631  -1.145
   44    HB2  CYS   6           1HB      CYS   6   2.866  -8.694  -0.155
   45    HB3  CYS   6           2HB      CYS   6   2.728  -7.436  -1.376
   46    HG   CYS   6           HG       CYS   6   1.860  -6.475   1.107
   47    H    ASN   7           H        ASN   7   2.546  -8.257  -3.804
   48    HA   ASN   7           HA       ASN   7   0.637  -6.456  -4.768
   49    HB2  ASN   7           1HB      ASN   7   2.997  -6.478  -5.478
   50    HB3  ASN   7           2HB      ASN   7   2.692  -7.973  -6.340
   51   HD21  ASN   7          1HD2      ASN   7   1.693  -7.924  -8.314
   52   HD22  ASN   7          2HD2      ASN   7   1.293  -6.455  -9.137
   53    H    LYS   8           H        LYS   8   1.040  -9.907  -5.263
   54    HA   LYS   8           HA       LYS   8  -1.000 -10.191  -7.214
   55    HB2  LYS   8           1HB      LYS   8   0.713 -11.920  -6.773
   56    HB3  LYS   8           2HB      LYS   8  -0.012 -12.221  -5.201
   57    HG2  LYS   8           1HG      LYS   8  -0.674 -13.906  -6.830
   58    HG3  LYS   8           2HG      LYS   8  -2.062 -12.973  -6.267
   59    HD2  LYS   8           1HD      LYS   8  -2.006 -11.628  -8.295
   60    HD3  LYS   8           2HD      LYS   8  -0.571 -12.492  -8.849
   61    HE2  LYS   8           1HE      LYS   8  -3.256 -13.762  -8.327
   62    HE3  LYS   8           2HE      LYS   8  -2.666 -13.275  -9.914
   63    HZ1  LYS   8           3HZ      LYS   8  -1.423 -15.305  -8.140
   64    HZ2  LYS   8           1HZ      LYS   8  -0.816 -14.820  -9.642
   65    HZ3  LYS   8           2HZ      LYS   8  -2.300 -15.619  -9.549
   66    H    LEU   9           H        LEU   9  -0.983 -10.294  -3.677
   67    HA   LEU   9           HA       LEU   9  -3.846 -10.643  -3.514
   68    HB2  LEU   9           1HB      LEU   9  -1.652 -10.221  -1.527
   69    HB3  LEU   9           2HB      LEU   9  -3.303  -9.903  -1.042
   70    HG   LEU   9           HG       LEU   9  -2.631 -12.133  -0.357
   71   HD11  LEU   9          1HD1      LEU   9  -4.597 -12.268  -2.636
   72   HD12  LEU   9          2HD1      LEU   9  -4.968 -11.749  -0.992
   73   HD13  LEU   9          3HD1      LEU   9  -4.456 -13.408  -1.299
   74   HD21  LEU   9          3HD2      LEU   9  -2.189 -12.697  -3.287
   75   HD22  LEU   9          1HD2      LEU   9  -2.100 -13.875  -1.976
   76   HD23  LEU   9          2HD2      LEU   9  -0.931 -12.558  -2.059
   77    H    LYS  10           H        LYS  10  -2.160  -8.255  -4.660
   78    HA   LYS  10           HA       LYS  10  -2.870  -6.266  -5.461
   79    HB2  LYS  10           1HB      LYS  10  -5.336  -6.650  -3.759
   80    HB3  LYS  10           2HB      LYS  10  -5.131  -5.452  -5.032
   81    HG2  LYS  10           1HG      LYS  10  -5.113  -8.439  -5.407
   82    HG3  LYS  10           2HG      LYS  10  -6.454  -7.359  -5.793
   83    HD2  LYS  10           1HD      LYS  10  -5.122  -6.249  -7.472
   84    HD3  LYS  10           2HD      LYS  10  -3.702  -7.193  -7.025
   85    HE2  LYS  10           1HE      LYS  10  -4.742  -8.059  -9.055
   86    HE3  LYS  10           2HE      LYS  10  -4.823  -9.233  -7.742
   87    HZ1  LYS  10           3HZ      LYS  10  -7.042  -7.433  -8.539
   88    HZ2  LYS  10           1HZ      LYS  10  -7.111  -8.651  -7.366
   89    HZ3  LYS  10           2HZ      LYS  10  -6.904  -9.054  -8.996
   90    H    GLY  11           H        GLY  11  -1.353  -6.682  -2.978
   91    HA2  GLY  11           1HA      GLY  11  -1.844  -4.080  -1.697
   92    HA3  GLY  11           2HA      GLY  11  -0.807  -5.345  -1.070
   93    H    THR  12           H        THR  12  -1.144  -2.863  -3.414
   94    HA   THR  12           HA       THR  12   1.407  -3.160  -4.642
   95    HB   THR  12           HB       THR  12   0.909  -0.782  -5.460
   96    HG1  THR  12           HG1      THR  12  -0.938  -0.983  -3.567
   97   HG21  THR  12          1HG2      THR  12  -0.773  -1.582  -7.051
   98   HG22  THR  12          2HG2      THR  12  -1.087  -2.979  -6.022
   99   HG23  THR  12          3HG2      THR  12   0.487  -2.790  -6.796
  100    H    CYS  13           H        CYS  13   3.284  -1.946  -4.365
  101    HA   CYS  13           HA       CYS  13   3.666  -0.998  -1.667
  102    HB2  CYS  13           1HB      CYS  13   5.763  -0.751  -3.796
  103    HB3  CYS  13           2HB      CYS  13   5.948  -1.046  -2.076
  104    HG   CYS  13           HG       CYS  13   4.443  -3.639  -2.696
  105    H    LYS  14           H        LYS  14   2.636   0.861  -1.360
  106    HA   LYS  14           HA       LYS  14   3.802   3.176  -2.716
  107    HB2  LYS  14           1HB      LYS  14   1.630   4.340  -2.639
  108    HB3  LYS  14           2HB      LYS  14   1.612   2.942  -3.701
  109    HG2  LYS  14           1HG      LYS  14   0.457   1.646  -2.006
  110    HG3  LYS  14           2HG      LYS  14   0.507   3.026  -0.904
  111    HD2  LYS  14           1HD      LYS  14  -1.666   2.904  -1.957
  112    HD3  LYS  14           2HD      LYS  14  -0.798   4.336  -2.527
  113    HE2  LYS  14           1HE      LYS  14  -0.205   3.184  -4.583
  114    HE3  LYS  14           2HE      LYS  14  -0.969   1.704  -4.005
  115    HZ1  LYS  14           3HZ      LYS  14  -3.091   2.962  -3.927
  116    HZ2  LYS  14           1HZ      LYS  14  -2.454   2.787  -5.490
  117    HZ3  LYS  14           2HZ      LYS  14  -2.305   4.262  -4.680
  118    H    ASN  15           H        ASN  15   3.479   5.176  -1.364
  119    HA   ASN  15           HA       ASN  15   4.419   4.491   1.274
  120    HB2  ASN  15           1HB      ASN  15   5.377   6.286  -0.229
  121    HB3  ASN  15           2HB      ASN  15   3.964   7.242   0.143
  122   HD21  ASN  15          1HD2      ASN  15   5.211   8.839   1.120
  123   HD22  ASN  15          2HD2      ASN  15   5.942   8.614   2.670
  124    H    ASN  16           H        ASN  16   1.749   6.333  -0.122
  125    HA   ASN  16           HA       ASN  16   0.405   6.189   2.506
  126    HB2  ASN  16           1HB      ASN  16  -0.701   8.259   2.054
  127    HB3  ASN  16           2HB      ASN  16   1.006   8.508   1.717
  128   HD21  ASN  16          1HD2      ASN  16   1.688   8.670  -0.445
  129   HD22  ASN  16          2HD2      ASN  16   0.577   9.098  -1.700
  130    H    CYS  17           H        CYS  17  -1.715   5.541   2.578
  131    HA   CYS  17           HA       CYS  17  -2.538   3.854   0.407
  132    HB2  CYS  17           1HB      CYS  17  -4.079   4.518   2.918
  133    HB3  CYS  17           2HB      CYS  17  -4.293   3.121   1.874
  134    HG   CYS  17           HG       CYS  17  -1.493   2.354   2.499
  135    H    GLY  18           H        GLY  18  -4.017   4.234  -1.098
  136    HA2  GLY  18           1HA      GLY  18  -5.234   6.888  -1.211
  137    HA3  GLY  18           2HA      GLY  18  -5.083   5.752  -2.544
  138    H    LYS  19           H        LYS  19  -7.293   6.106  -3.020
  139    HA   LYS  19           HA       LYS  19  -9.438   5.845  -1.305
  140    HB2  LYS  19           1HB      LYS  19 -10.813   5.713  -3.188
  141    HB3  LYS  19           2HB      LYS  19  -9.405   6.586  -3.760
  142    HG2  LYS  19           1HG      LYS  19 -10.038   3.681  -4.262
  143    HG3  LYS  19           2HG      LYS  19 -10.162   4.999  -5.420
  144    HD2  LYS  19           1HD      LYS  19  -7.681   5.347  -5.128
  145    HD3  LYS  19           2HD      LYS  19  -7.663   3.848  -4.193
  146    HE2  LYS  19           1HE      LYS  19  -7.028   3.416  -6.493
  147    HE3  LYS  19           2HE      LYS  19  -8.567   2.640  -6.118
  148    HZ1  LYS  19           3HZ      LYS  19  -9.708   4.467  -7.217
  149    HZ2  LYS  19           1HZ      LYS  19  -8.626   3.714  -8.275
  150    HZ3  LYS  19           2HZ      LYS  19  -8.231   5.205  -7.580
  151    H    ASN  20           H        ASN  20 -10.335   4.249  -0.233
  152    HA   ASN  20           HA       ASN  20 -10.833   2.181   0.567
  153    HB2  ASN  20           1HB      ASN  20 -10.556   1.523  -2.365
  154    HB3  ASN  20           2HB      ASN  20 -11.092   0.351  -1.170
  155   HD21  ASN  20          1HD2      ASN  20 -13.077   0.084  -2.078
  156   HD22  ASN  20          2HD2      ASN  20 -14.310   1.299  -2.020
  157    H    GLU  21           H        GLU  21  -7.945   2.946   0.512
  158    HA   GLU  21           HA       GLU  21  -6.828   0.237   0.248
  159    HB2  GLU  21           1HB      GLU  21  -5.526   2.928  -0.140
  160    HB3  GLU  21           2HB      GLU  21  -4.595   1.446   0.031
  161    HG2  GLU  21           1HG      GLU  21  -5.808   0.517  -1.916
  162    HG3  GLU  21           2HG      GLU  21  -6.618   2.069  -2.113
  163    H    GLU  22           H        GLU  22  -5.605  -0.645   1.798
  164    HA   GLU  22           HA       GLU  22  -5.350   0.847   4.328
  165    HB2  GLU  22           1HB      GLU  22  -5.734  -1.256   5.535
  166    HB3  GLU  22           2HB      GLU  22  -7.114  -0.841   4.525
  167    HG2  GLU  22           1HG      GLU  22  -6.516  -2.481   2.905
  168    HG3  GLU  22           2HG      GLU  22  -4.971  -2.775   3.694
  169    H    LEU  23           H        LEU  23  -3.553   0.254   5.661
  170    HA   LEU  23           HA       LEU  23  -1.230  -0.609   4.135
  171    HB2  LEU  23           1HB      LEU  23  -1.554   1.299   6.048
  172    HB3  LEU  23           2HB      LEU  23  -0.977  -0.040   7.018
  173    HG   LEU  23           HG       LEU  23   1.096  -0.140   5.804
  174   HD11  LEU  23          1HD1      LEU  23  -0.274   1.766   3.934
  175   HD12  LEU  23          2HD1      LEU  23   0.448   0.192   3.575
  176   HD13  LEU  23          3HD1      LEU  23   1.476   1.568   3.975
  177   HD21  LEU  23          3HD2      LEU  23   2.001   2.078   6.222
  178   HD22  LEU  23          1HD2      LEU  23   0.938   1.578   7.537
  179   HD23  LEU  23          2HD2      LEU  23   0.370   2.735   6.336
  180    H    ILE  24           H        ILE  24  -0.692  -2.694   4.082
  181    HA   ILE  24           HA       ILE  24  -1.768  -4.406   6.226
  182    HB   ILE  24           HB       ILE  24  -2.368  -6.047   4.708
  183   HG12  ILE  24          1HG1      ILE  24  -1.401  -5.506   2.177
  184   HG13  ILE  24          2HG1      ILE  24  -0.034  -5.116   3.214
  185   HG21  ILE  24          1HG2      ILE  24  -3.691  -4.024   4.384
  186   HG22  ILE  24          2HG2      ILE  24  -3.560  -4.962   2.899
  187   HG23  ILE  24          3HG2      ILE  24  -2.584  -3.510   3.108
  188   HD11  ILE  24          3HD1      ILE  24   0.070  -7.416   2.454
  189   HD12  ILE  24          1HD1      ILE  24  -1.515  -7.734   3.162
  190   HD13  ILE  24          2HD1      ILE  24  -0.146  -7.344   4.202
  191    H    ALA  25           H        ALA  25   1.090  -3.452   4.568
  192    HA   ALA  25           HA       ALA  25   2.733  -5.024   6.305
  193    HB1  ALA  25           3HB      ALA  25   3.818  -6.418   4.638
  194    HB2  ALA  25           1HB      ALA  25   2.737  -5.800   3.389
  195    HB3  ALA  25           2HB      ALA  25   2.093  -6.778   4.708
  196    H    LEU  26           H        LEU  26   5.023  -4.782   5.796
  197    HA   LEU  26           HA       LEU  26   5.524  -2.080   4.786
  198    HB2  LEU  26           1HB      LEU  26   6.932  -3.877   6.736
  199    HB3  LEU  26           2HB      LEU  26   7.755  -2.497   6.036
  200    HG   LEU  26           HG       LEU  26   6.978  -1.881   8.204
  201   HD11  LEU  26          1HD1      LEU  26   6.761  -0.191   6.433
  202   HD12  LEU  26          2HD1      LEU  26   5.592   0.022   7.734
  203   HD13  LEU  26          3HD1      LEU  26   5.083  -0.682   6.201
  204   HD21  LEU  26          3HD2      LEU  26   4.612  -1.971   8.848
  205   HD22  LEU  26          1HD2      LEU  26   5.284  -3.573   8.541
  206   HD23  LEU  26          2HD2      LEU  26   4.246  -2.807   7.340
  207    H    CYS  27           H        CYS  27   6.962  -1.723   3.162
  208    HA   CYS  27           HA       CYS  27   8.208  -4.093   1.938
  209    HB2  CYS  27           1HB      CYS  27   7.275  -1.496   0.696
  210    HB3  CYS  27           2HB      CYS  27   8.233  -2.692  -0.165
  211    HG   CYS  27           HG       CYS  27   6.294  -4.243  -0.844
  212    H    GLN  28           H        GLN  28  10.207  -3.357   0.585
  213    HA   GLN  28           HA       GLN  28  11.938  -1.797   2.300
  214    HB2  GLN  28           1HB      GLN  28  12.500  -3.129  -0.344
  215    HB3  GLN  28           2HB      GLN  28  13.701  -2.347   0.666
  216    HG2  GLN  28           1HG      GLN  28  13.198  -3.965   2.459
  217    HG3  GLN  28           2HG      GLN  28  12.089  -4.788   1.365
  218   HE21  GLN  28          1HE2      GLN  28  15.415  -4.064   2.070
  219   HE22  GLN  28          2HE2      GLN  28  16.102  -5.266   1.035
  220    H    LYS  29           H        LYS  29  13.447  -0.228   1.017
  221    HA   LYS  29           HA       LYS  29  13.687   1.771   0.009
  222    HB2  LYS  29           1HB      LYS  29  12.656   0.221  -1.894
  223    HB3  LYS  29           2HB      LYS  29  11.325   1.355  -1.736
  224    HG2  LYS  29           1HG      LYS  29  13.724   2.829  -1.830
  225    HG3  LYS  29           2HG      LYS  29  13.758   1.663  -3.148
  226    HD2  LYS  29           1HD      LYS  29  11.614   3.713  -2.584
  227    HD3  LYS  29           2HD      LYS  29  12.756   3.714  -3.930
  228    HE2  LYS  29           1HE      LYS  29  11.762   1.544  -4.669
  229    HE3  LYS  29           2HE      LYS  29  10.539   1.741  -3.411
  230    HZ1  LYS  29           3HZ      LYS  29   9.896   3.847  -4.476
  231    HZ2  LYS  29           1HZ      LYS  29   9.693   2.522  -5.506
  232    HZ3  LYS  29           2HZ      LYS  29  11.009   3.557  -5.712
  233    H    SER  30           H        SER  30  11.478   1.077   2.063
  234    HA   SER  30           HA       SER  30  10.314   2.344   3.543
  235    HB2  SER  30           1HB      SER  30  10.744   4.690   1.687
  236    HB3  SER  30           2HB      SER  30  10.200   4.759   3.362
  237    HG   SER  30           HG       SER  30  12.428   3.378   3.389
  238    H    LEU  31           H        LEU  31   9.322   1.365   0.646
  239    HA   LEU  31           HA       LEU  31   6.748   2.654   0.609
  240    HB2  LEU  31           1HB      LEU  31   8.054   0.460  -0.981
  241    HB3  LEU  31           2HB      LEU  31   6.335   0.758  -1.114
  242    HG   LEU  31           HG       LEU  31   7.739   1.819  -2.873
  243   HD11  LEU  31          1HD1      LEU  31   6.560   3.945  -2.852
  244   HD12  LEU  31          2HD1      LEU  31   6.176   3.728  -1.144
  245   HD13  LEU  31          3HD1      LEU  31   5.504   2.630  -2.349
  246   HD21  LEU  31          3HD2      LEU  31   8.961   3.852  -2.371
  247   HD22  LEU  31          1HD2      LEU  31   9.651   2.469  -1.523
  248   HD23  LEU  31          2HD2      LEU  31   8.643   3.624  -0.651
  249    H    LYS  32           H        LYS  32   4.733   1.236   0.622
  250    HA   LYS  32           HA       LYS  32   4.952  -0.974   2.556
  251    HB2  LYS  32           1HB      LYS  32   2.986   1.315   2.655
  252    HB3  LYS  32           2HB      LYS  32   2.792  -0.168   3.569
  253    HG2  LYS  32           1HG      LYS  32   3.684   1.226   5.134
  254    HG3  LYS  32           2HG      LYS  32   5.138   0.433   4.513
  255    HD2  LYS  32           1HD      LYS  32   5.543   2.339   3.025
  256    HD3  LYS  32           2HD      LYS  32   4.101   3.137   3.656
  257    HE2  LYS  32           1HE      LYS  32   5.097   3.187   5.881
  258    HE3  LYS  32           2HE      LYS  32   6.529   2.362   5.267
  259    HZ1  LYS  32           3HZ      LYS  32   6.867   4.749   5.445
  260    HZ2  LYS  32           1HZ      LYS  32   5.578   5.036   4.387
  261    HZ3  LYS  32           2HZ      LYS  32   6.970   4.245   3.836
  262    H    CYS  33           H        CYS  33   2.986  -2.361   2.570
  263    HA   CYS  33           HA       CYS  33   1.966  -2.689  -0.129
  264    HB2  CYS  33           1HB      CYS  33   1.479  -4.343   2.349
  265    HB3  CYS  33           2HB      CYS  33   1.064  -4.789   0.703
  266    HG   CYS  33           HG       CYS  33   4.259  -4.127   0.776
  267    H    CYS  34           H        CYS  34   0.369  -1.271  -0.563
  268    HA   CYS  34           HA       CYS  34  -1.852  -1.074   1.357
  269    HB2  CYS  34           1HB      CYS  34  -1.172   0.682  -1.013
  270    HB3  CYS  34           2HB      CYS  34  -2.570   0.898   0.032
  271    HG   CYS  34           HG       CYS  34   0.719   1.358   0.837
  272    H    ARG  35           H        ARG  35  -3.532  -2.327   0.966
  273    HA   ARG  35           HA       ARG  35  -3.903  -3.457  -1.700
  274    HB2  ARG  35           1HB      ARG  35  -5.351  -4.085   0.881
  275    HB3  ARG  35           2HB      ARG  35  -5.527  -4.959  -0.632
  276    HG2  ARG  35           1HG      ARG  35  -3.237  -5.713  -0.508
  277    HG3  ARG  35           2HG      ARG  35  -2.976  -4.758   0.952
  278    HD2  ARG  35           1HD      ARG  35  -3.365  -6.894   1.792
  279    HD3  ARG  35           2HD      ARG  35  -4.941  -6.115   1.922
  280    HE   ARG  35           HE       ARG  35  -4.790  -7.430  -0.556
  281   HH11  ARG  35          1HH1      ARG  35  -4.961  -8.165   2.868
  282   HH12  ARG  35          2HH1      ARG  35  -5.755  -9.691   2.629
  283   HH21  ARG  35          1HH2      ARG  35  -5.851  -9.440  -0.867
  284   HH22  ARG  35          2HH2      ARG  35  -6.260 -10.413   0.514
  285    H    THR  36           H        THR  36  -5.391  -2.739  -3.069
  286    HA   THR  36           HA       THR  36  -7.232  -0.664  -2.263
  287    HB   THR  36           HB       THR  36  -7.242  -2.027  -4.952
  288    HG1  THR  36           HG1      THR  36  -5.312  -0.350  -3.813
  289   HG21  THR  36          1HG2      THR  36  -8.032   0.122  -5.740
  290   HG22  THR  36          2HG2      THR  36  -7.800   0.838  -4.144
  291   HG23  THR  36          3HG2      THR  36  -9.041  -0.396  -4.388
  292    H    ILE  37           H        ILE  37  -8.867  -1.282  -1.087
  293    HA   ILE  37           HA       ILE  37  -9.998  -3.889  -1.106
  294    HB   ILE  37           HB       ILE  37 -11.045  -1.350   0.148
  295   HG12  ILE  37          1HG1      ILE  37  -8.741  -1.756   0.802
  296   HG13  ILE  37          2HG1      ILE  37  -9.798  -2.113   2.152
  297   HG21  ILE  37          1HG2      ILE  37 -12.709  -3.120   0.082
  298   HG22  ILE  37          2HG2      ILE  37 -12.148  -2.859   1.734
  299   HG23  ILE  37          3HG2      ILE  37 -11.564  -4.243   0.812
  300   HD11  ILE  37          3HD1      ILE  37  -8.004  -3.751   1.923
  301   HD12  ILE  37          1HD1      ILE  37  -8.574  -4.144   0.301
  302   HD13  ILE  37          2HD1      ILE  37  -9.586  -4.492   1.701
  303    H    GLN  38           H        GLN  38 -11.171  -4.590  -2.721
  304    HA   GLN  38           HA       GLN  38 -13.013  -2.754  -4.090
  305    HB2  GLN  38           1HB      GLN  38 -11.902  -5.412  -5.008
  306    HB3  GLN  38           2HB      GLN  38 -12.941  -4.350  -5.950
  307    HG2  GLN  38           1HG      GLN  38 -11.221  -2.649  -5.987
  308    HG3  GLN  38           2HG      GLN  38 -10.187  -3.644  -4.962
  309   HE21  GLN  38          1HE2      GLN  38  -9.695  -2.587  -7.627
  310   HE22  GLN  38          2HE2      GLN  38  -9.367  -3.958  -8.630
  311    HA   PRO  39           HA       PRO  39 -16.506  -4.779  -2.182
  312    HB2  PRO  39           1HB      PRO  39 -17.777  -4.071  -4.782
  313    HB3  PRO  39           2HB      PRO  39 -18.328  -3.745  -3.135
  314    HG2  PRO  39           1HG      PRO  39 -17.279  -1.804  -4.620
  315    HG3  PRO  39           2HG      PRO  39 -16.925  -1.914  -2.886
  316    HD2  PRO  39           1HD      PRO  39 -15.212  -2.637  -5.222
  317    HD3  PRO  39           2HD      PRO  39 -14.755  -1.927  -3.660
  318    H    SER  40           H        SER  40 -16.635  -6.921  -2.109
  319    HA   SER  40           HA       SER  40 -17.484  -8.527  -4.264
  320    HB2  SER  40           1HB      SER  40 -15.378  -9.903  -4.435
  321    HB3  SER  40           2HB      SER  40 -15.251  -8.291  -5.133
  322    HG   SER  40           HG       SER  40 -14.176  -7.622  -3.246
  323    H    GLY  41           H        GLY  41 -17.274 -10.930  -3.627
  324    HA2  GLY  41           1HA      GLY  41 -18.011 -11.167  -0.832
  325    HA3  GLY  41           2HA      GLY  41 -18.099 -12.433  -2.049
  326    H    SER  42           H        SER  42 -16.868 -12.100   0.748
  327    HA   SER  42           HA       SER  42 -15.127 -12.956   1.909
  328    HB2  SER  42           1HB      SER  42 -14.234 -14.103  -0.746
  329    HB3  SER  42           2HB      SER  42 -13.583 -14.544   0.832
  330    HG   SER  42           HG       SER  42 -16.326 -14.710   0.639
  331    H    ILE  43           H        ILE  43 -12.509 -13.062   1.678
  332    HA   ILE  43           HA       ILE  43 -10.558 -11.908   1.555
  333    HB   ILE  43           HB       ILE  43 -11.961 -10.093  -0.417
  334   HG12  ILE  43          1HG1      ILE  43 -11.781 -12.413  -1.217
  335   HG13  ILE  43          2HG1      ILE  43 -10.737 -11.338  -2.139
  336   HG21  ILE  43          1HG2      ILE  43  -9.718  -9.345  -1.042
  337   HG22  ILE  43          2HG2      ILE  43  -9.025 -10.352   0.228
  338   HG23  ILE  43          3HG2      ILE  43 -10.065  -8.992   0.650
  339   HD11  ILE  43          3HD1      ILE  43  -8.814 -12.106  -0.836
  340   HD12  ILE  43          1HD1      ILE  43  -9.626 -13.431  -1.668
  341   HD13  ILE  43          2HD1      ILE  43  -9.869 -13.198   0.062
  342    H    ILE  44           H        ILE  44 -13.176  -9.484   1.333
  343    HA   ILE  44           HA       ILE  44 -12.875  -8.634   4.017
  344    HB   ILE  44           HB       ILE  44 -10.789  -7.652   3.183
  345   HG12  ILE  44          1HG1      ILE  44 -12.929  -5.579   3.721
  346   HG13  ILE  44          2HG1      ILE  44 -12.069  -6.500   4.947
  347   HG21  ILE  44          1HG2      ILE  44 -12.516  -6.070   1.282
  348   HG22  ILE  44          2HG2      ILE  44 -11.482  -7.422   0.827
  349   HG23  ILE  44          3HG2      ILE  44 -10.767  -5.944   1.466
  350   HD11  ILE  44          3HD1      ILE  44 -11.141  -4.311   4.828
  351   HD12  ILE  44          1HD1      ILE  44 -10.921  -4.447   3.084
  352   HD13  ILE  44          2HD1      ILE  44  -9.967  -5.450   4.175
  353    H    ASP  45           H        ASP  45 -14.467  -7.154   4.618
  354    HA   ASP  45           HA       ASP  45 -16.430  -6.519   2.527
  355    HB2  ASP  45           1HB      ASP  45 -18.105  -6.418   4.365
  356    HB3  ASP  45           2HB      ASP  45 -17.378  -8.007   4.184
  Start of MODEL    4
    1    H    PHE   1           1H       PHE   1   9.788 -10.850   0.248
    2    HA   PHE   1           HA       PHE   1   7.859 -13.087   0.299
    3    HB2  PHE   1           1HB      PHE   1   9.380 -11.764   2.557
    4    HB3  PHE   1           2HB      PHE   1   8.065 -12.915   2.772
    5    HD1  PHE   1           HD1      PHE   1   8.387 -15.217   1.578
    6    HD2  PHE   1           HD2      PHE   1  11.551 -12.533   2.523
    7    HE1  PHE   1           HE1      PHE   1   9.992 -17.078   1.477
    8    HE2  PHE   1           HE2      PHE   1  13.161 -14.389   2.421
    9    HZ   PHE   1           HZ       PHE   1  12.383 -16.665   1.898
   10    H    PHE   2           H        PHE   2   8.592  -9.727   1.220
   11    HA   PHE   2           HA       PHE   2   6.108  -9.100   2.335
   12    HB2  PHE   2           1HB      PHE   2   7.967  -7.231   0.858
   13    HB3  PHE   2           2HB      PHE   2   6.708  -6.758   1.989
   14    HD1  PHE   2           HD1      PHE   2   6.934  -7.998   4.361
   15    HD2  PHE   2           HD2      PHE   2  10.111  -7.237   1.635
   16    HE1  PHE   2           HE1      PHE   2   8.549  -8.128   6.213
   17    HE2  PHE   2           HE2      PHE   2  11.731  -7.368   3.480
   18    HZ   PHE   2           HZ       PHE   2  10.951  -7.816   5.772
   19    H    ASP   3           H        ASP   3   7.291  -8.568  -0.989
   20    HA   ASP   3           HA       ASP   3   4.649  -7.689  -1.749
   21    HB2  ASP   3           1HB      ASP   3   5.571  -7.253  -3.954
   22    HB3  ASP   3           2HB      ASP   3   6.518  -6.476  -2.694
   23    H    GLU   4           H        GLU   4   6.065 -10.614  -1.414
   24    HA   GLU   4           HA       GLU   4   4.771 -12.033  -3.514
   25    HB2  GLU   4           1HB      GLU   4   6.526 -13.108  -2.193
   26    HB3  GLU   4           2HB      GLU   4   5.572 -12.923  -0.728
   27    HG2  GLU   4           1HG      GLU   4   3.837 -14.381  -1.782
   28    HG3  GLU   4           2HG      GLU   4   4.980 -14.682  -3.090
   29    H    LYS   5           H        LYS   5   3.957 -11.113  -0.217
   30    HA   LYS   5           HA       LYS   5   1.273 -12.020  -0.286
   31    HB2  LYS   5           1HB      LYS   5   2.613 -11.416   1.778
   32    HB3  LYS   5           2HB      LYS   5   2.376  -9.731   1.345
   33    HG2  LYS   5           1HG      LYS   5   0.781 -10.371   3.029
   34    HG3  LYS   5           2HG      LYS   5  -0.062 -10.057   1.510
   35    HD2  LYS   5           1HD      LYS   5  -0.150 -12.458   1.061
   36    HD3  LYS   5           2HD      LYS   5   0.708 -12.775   2.569
   37    HE2  LYS   5           1HE      LYS   5  -1.137 -11.788   3.828
   38    HE3  LYS   5           2HE      LYS   5  -1.990 -11.448   2.324
   39    HZ1  LYS   5           3HZ      LYS   5  -1.277 -14.143   3.339
   40    HZ2  LYS   5           1HZ      LYS   5  -2.082 -13.827   1.887
   41    HZ3  LYS   5           2HZ      LYS   5  -2.817 -13.455   3.362
   42    H    CYS   6           H        CYS   6   2.901  -9.024  -1.194
   43    HA   CYS   6           HA       CYS   6   0.661  -7.418  -1.675
   44    HB2  CYS   6           1HB      CYS   6   3.084  -6.677  -1.680
   45    HB3  CYS   6           2HB      CYS   6   3.246  -7.420  -3.260
   46    HG   CYS   6           HG       CYS   6   2.592  -5.319  -4.548
   47    H    ASN   7           H        ASN   7   2.334  -9.753  -3.708
   48    HA   ASN   7           HA       ASN   7   0.962  -9.341  -6.115
   49    HB2  ASN   7           1HB      ASN   7   3.035 -10.689  -5.851
   50    HB3  ASN   7           2HB      ASN   7   2.098 -11.931  -5.036
   51   HD21  ASN   7          1HD2      ASN   7   2.590 -13.478  -6.563
   52   HD22  ASN   7          2HD2      ASN   7   1.904 -13.465  -8.150
   53    H    LYS   8           H        LYS   8   0.352 -11.556  -3.441
   54    HA   LYS   8           HA       LYS   8  -1.847 -12.930  -4.401
   55    HB2  LYS   8           1HB      LYS   8  -0.742 -13.547  -2.342
   56    HB3  LYS   8           2HB      LYS   8  -1.226 -12.040  -1.583
   57    HG2  LYS   8           1HG      LYS   8  -2.607 -13.823  -0.771
   58    HG3  LYS   8           2HG      LYS   8  -3.581 -12.740  -1.764
   59    HD2  LYS   8           1HD      LYS   8  -3.453 -14.280  -3.629
   60    HD3  LYS   8           2HD      LYS   8  -2.379 -15.339  -2.714
   61    HE2  LYS   8           1HE      LYS   8  -5.230 -14.664  -1.997
   62    HE3  LYS   8           2HE      LYS   8  -4.682 -16.175  -2.719
   63    HZ1  LYS   8           3HZ      LYS   8  -3.920 -15.137  -0.041
   64    HZ2  LYS   8           1HZ      LYS   8  -3.329 -16.561  -0.738
   65    HZ3  LYS   8           2HZ      LYS   8  -4.966 -16.426  -0.355
   66    H    LEU   9           H        LEU   9  -1.792  -9.807  -2.716
   67    HA   LEU   9           HA       LEU   9  -4.678  -9.587  -2.874
   68    HB2  LEU   9           1HB      LEU   9  -2.539  -7.814  -1.718
   69    HB3  LEU   9           2HB      LEU   9  -4.212  -7.306  -1.824
   70    HG   LEU   9           HG       LEU   9  -3.840  -8.060   0.395
   71   HD11  LEU   9          1HD1      LEU   9  -5.428  -9.861   0.631
   72   HD12  LEU   9          2HD1      LEU   9  -5.253 -10.273  -1.073
   73   HD13  LEU   9          3HD1      LEU   9  -5.969  -8.730  -0.610
   74   HD21  LEU   9          3HD2      LEU   9  -2.803 -10.652  -0.723
   75   HD22  LEU   9          1HD2      LEU   9  -2.958 -10.223   0.980
   76   HD23  LEU   9          2HD2      LEU   9  -1.805  -9.364  -0.045
   77    H    LYS  10           H        LYS  10  -2.142  -8.965  -4.907
   78    HA   LYS  10           HA       LYS  10  -1.735  -7.667  -6.712
   79    HB2  LYS  10           1HB      LYS  10  -4.752  -7.519  -6.744
   80    HB3  LYS  10           2HB      LYS  10  -3.741  -6.849  -8.013
   81    HG2  LYS  10           1HG      LYS  10  -4.384  -8.907  -8.855
   82    HG3  LYS  10           2HG      LYS  10  -2.772  -9.221  -8.212
   83    HD2  LYS  10           1HD      LYS  10  -3.825 -10.084  -6.137
   84    HD3  LYS  10           2HD      LYS  10  -5.406  -9.870  -6.891
   85    HE2  LYS  10           1HE      LYS  10  -4.706 -11.404  -8.699
   86    HE3  LYS  10           2HE      LYS  10  -3.184 -11.667  -7.848
   87    HZ1  LYS  10           3HZ      LYS  10  -4.708 -13.432  -7.346
   88    HZ2  LYS  10           1HZ      LYS  10  -5.896 -12.335  -6.849
   89    HZ3  LYS  10           2HZ      LYS  10  -4.474 -12.505  -5.951
   90    H    GLY  11           H        GLY  11  -1.264  -6.419  -4.407
   91    HA2  GLY  11           1HA      GLY  11  -2.551  -3.785  -4.538
   92    HA3  GLY  11           2HA      GLY  11  -1.568  -4.389  -3.211
   93    H    THR  12           H        THR  12  -0.949  -1.958  -3.904
   94    HA   THR  12           HA       THR  12   1.506  -2.259  -5.484
   95    HB   THR  12           HB       THR  12   1.081   0.309  -5.913
   96    HG1  THR  12           HG1      THR  12  -1.569  -0.283  -6.249
   97   HG21  THR  12          1HG2      THR  12  -0.006  -0.274  -8.044
   98   HG22  THR  12          2HG2      THR  12  -0.337  -1.888  -7.417
   99   HG23  THR  12          3HG2      THR  12   1.327  -1.362  -7.662
  100    H    CYS  13           H        CYS  13   3.317  -1.634  -4.499
  101    HA   CYS  13           HA       CYS  13   3.210  -0.710  -1.789
  102    HB2  CYS  13           1HB      CYS  13   5.717  -0.764  -3.456
  103    HB3  CYS  13           2HB      CYS  13   5.534  -1.023  -1.729
  104    HG   CYS  13           HG       CYS  13   5.860  -3.271  -3.975
  105    H    LYS  14           H        LYS  14   2.658   1.309  -1.396
  106    HA   LYS  14           HA       LYS  14   4.049   3.442  -2.843
  107    HB2  LYS  14           1HB      LYS  14   1.997   4.792  -2.863
  108    HB3  LYS  14           2HB      LYS  14   1.811   3.317  -3.797
  109    HG2  LYS  14           1HG      LYS  14   0.599   2.296  -1.929
  110    HG3  LYS  14           2HG      LYS  14   0.773   3.793  -1.012
  111    HD2  LYS  14           1HD      LYS  14  -1.392   3.850  -1.962
  112    HD3  LYS  14           2HD      LYS  14  -0.403   4.956  -2.916
  113    HE2  LYS  14           1HE      LYS  14  -1.745   3.668  -4.422
  114    HE3  LYS  14           2HE      LYS  14  -0.077   3.111  -4.570
  115    HZ1  LYS  14           3HZ      LYS  14  -2.259   1.786  -3.043
  116    HZ2  LYS  14           1HZ      LYS  14  -0.643   1.269  -3.069
  117    HZ3  LYS  14           2HZ      LYS  14  -1.557   1.237  -4.490
  118    H    ASN  15           H        ASN  15   3.580   5.613  -1.530
  119    HA   ASN  15           HA       ASN  15   4.597   5.004   1.095
  120    HB2  ASN  15           1HB      ASN  15   4.289   7.478  -0.541
  121    HB3  ASN  15           2HB      ASN  15   4.523   7.631   1.194
  122   HD21  ASN  15          1HD2      ASN  15   6.264   8.429  -0.994
  123   HD22  ASN  15          2HD2      ASN  15   7.758   7.592  -0.753
  124    H    ASN  16           H        ASN  16   1.800   6.817  -0.168
  125    HA   ASN  16           HA       ASN  16   0.455   6.280   2.402
  126    HB2  ASN  16           1HB      ASN  16  -0.872   8.334   2.014
  127    HB3  ASN  16           2HB      ASN  16   0.848   8.675   2.147
  128   HD21  ASN  16          1HD2      ASN  16   2.019   9.139   0.233
  129   HD22  ASN  16          2HD2      ASN  16   1.214   9.787  -1.154
  130    H    CYS  17           H        CYS  17  -1.610   5.452   2.325
  131    HA   CYS  17           HA       CYS  17  -2.069   3.794   0.069
  132    HB2  CYS  17           1HB      CYS  17  -3.937   4.317   2.387
  133    HB3  CYS  17           2HB      CYS  17  -3.932   2.915   1.328
  134    HG   CYS  17           HG       CYS  17  -1.162   2.365   2.249
  135    H    GLY  18           H        GLY  18  -3.644   3.835  -1.466
  136    HA2  GLY  18           1HA      GLY  18  -4.683   6.468  -2.097
  137    HA3  GLY  18           2HA      GLY  18  -4.757   5.037  -3.113
  138    H    LYS  19           H        LYS  19  -6.958   5.646  -3.555
  139    HA   LYS  19           HA       LYS  19  -8.886   5.968  -1.553
  140    HB2  LYS  19           1HB      LYS  19 -10.549   5.588  -3.360
  141    HB3  LYS  19           2HB      LYS  19  -9.336   6.790  -3.756
  142    HG2  LYS  19           1HG      LYS  19  -9.287   5.685  -5.711
  143    HG3  LYS  19           2HG      LYS  19  -8.191   4.613  -4.837
  144    HD2  LYS  19           1HD      LYS  19 -10.063   3.136  -4.292
  145    HD3  LYS  19           2HD      LYS  19 -11.169   4.215  -5.144
  146    HE2  LYS  19           1HE      LYS  19  -9.897   3.822  -7.219
  147    HE3  LYS  19           2HE      LYS  19  -8.867   2.690  -6.348
  148    HZ1  LYS  19           3HZ      LYS  19 -11.786   2.415  -6.810
  149    HZ2  LYS  19           1HZ      LYS  19 -10.856   1.352  -5.880
  150    HZ3  LYS  19           2HZ      LYS  19 -10.563   1.503  -7.537
  151    H    ASN  20           H        ASN  20  -9.608   4.615  -0.152
  152    HA   ASN  20           HA       ASN  20 -10.315   2.742   0.898
  153    HB2  ASN  20           1HB      ASN  20 -11.023   2.065  -1.947
  154    HB3  ASN  20           2HB      ASN  20 -11.354   0.946  -0.630
  155   HD21  ASN  20          1HD2      ASN  20 -11.516   4.416  -0.233
  156   HD22  ASN  20          2HD2      ASN  20 -13.232   4.506  -0.056
  157    H    GLU  21           H        GLU  21  -7.689   2.807   0.844
  158    HA   GLU  21           HA       GLU  21  -6.957   0.005   0.329
  159    HB2  GLU  21           1HB      GLU  21  -5.250   2.476   0.018
  160    HB3  GLU  21           2HB      GLU  21  -4.579   0.855   0.090
  161    HG2  GLU  21           1HG      GLU  21  -5.998   0.286  -1.887
  162    HG3  GLU  21           2HG      GLU  21  -6.412   1.994  -2.000
  163    H    GLU  22           H        GLU  22  -5.523  -0.955   1.820
  164    HA   GLU  22           HA       GLU  22  -5.197   0.502   4.358
  165    HB2  GLU  22           1HB      GLU  22  -5.755  -1.441   5.619
  166    HB3  GLU  22           2HB      GLU  22  -7.028  -1.243   4.424
  167    HG2  GLU  22           1HG      GLU  22  -5.993  -2.970   3.034
  168    HG3  GLU  22           2HG      GLU  22  -4.716  -3.162   4.233
  169    H    LEU  23           H        LEU  23  -3.429  -0.384   5.706
  170    HA   LEU  23           HA       LEU  23  -1.129  -0.977   4.063
  171    HB2  LEU  23           1HB      LEU  23  -1.565   0.371   6.474
  172    HB3  LEU  23           2HB      LEU  23  -0.685  -1.074   6.925
  173    HG   LEU  23           HG       LEU  23   1.226  -0.453   5.693
  174   HD11  LEU  23          1HD1      LEU  23  -0.723   1.198   4.154
  175   HD12  LEU  23          2HD1      LEU  23   0.488   0.039   3.581
  176   HD13  LEU  23          3HD1      LEU  23   0.984   1.635   4.162
  177   HD21  LEU  23          3HD2      LEU  23   1.716   1.829   6.382
  178   HD22  LEU  23          1HD2      LEU  23   0.885   0.960   7.668
  179   HD23  LEU  23          2HD2      LEU  23   0.005   2.127   6.682
  180    H    ILE  24           H        ILE  24  -0.712  -2.981   3.503
  181    HA   ILE  24           HA       ILE  24  -1.723  -5.160   5.176
  182    HB   ILE  24           HB       ILE  24  -2.130  -6.314   3.299
  183   HG12  ILE  24          1HG1      ILE  24   0.347  -5.330   1.914
  184   HG13  ILE  24          2HG1      ILE  24   0.442  -6.581   3.148
  185   HG21  ILE  24          1HG2      ILE  24  -2.981  -4.143   2.648
  186   HG22  ILE  24          2HG2      ILE  24  -2.334  -4.991   1.242
  187   HG23  ILE  24          3HG2      ILE  24  -1.404  -3.697   1.994
  188   HD11  ILE  24          3HD1      ILE  24  -1.134  -7.921   1.844
  189   HD12  ILE  24          1HD1      ILE  24   0.382  -7.589   1.006
  190   HD13  ILE  24          2HD1      ILE  24  -1.079  -6.695   0.577
  191    H    ALA  25           H        ALA  25   1.236  -3.794   3.865
  192    HA   ALA  25           HA       ALA  25   2.844  -5.442   5.617
  193    HB1  ALA  25           3HB      ALA  25   2.404  -6.975   3.726
  194    HB2  ALA  25           1HB      ALA  25   4.114  -6.562   3.882
  195    HB3  ALA  25           2HB      ALA  25   3.130  -5.799   2.631
  196    H    LEU  26           H        LEU  26   5.064  -4.905   5.579
  197    HA   LEU  26           HA       LEU  26   5.547  -2.161   4.685
  198    HB2  LEU  26           1HB      LEU  26   6.770  -3.917   6.789
  199    HB3  LEU  26           2HB      LEU  26   7.598  -2.474   6.234
  200    HG   LEU  26           HG       LEU  26   6.470  -1.935   8.263
  201   HD11  LEU  26          1HD1      LEU  26   6.397  -0.239   6.493
  202   HD12  LEU  26          2HD1      LEU  26   5.021  -0.133   7.591
  203   HD13  LEU  26          3HD1      LEU  26   4.820  -0.851   5.994
  204   HD21  LEU  26          3HD2      LEU  26   4.055  -2.204   8.565
  205   HD22  LEU  26          1HD2      LEU  26   4.862  -3.753   8.329
  206   HD23  LEU  26          2HD2      LEU  26   3.956  -3.022   7.005
  207    H    CYS  27           H        CYS  27   6.670  -1.903   2.884
  208    HA   CYS  27           HA       CYS  27   8.078  -4.222   1.794
  209    HB2  CYS  27           1HB      CYS  27   7.030  -1.691   0.519
  210    HB3  CYS  27           2HB      CYS  27   7.933  -2.920  -0.356
  211    HG   CYS  27           HG       CYS  27   5.476  -3.577  -1.135
  212    H    GLN  28           H        GLN  28   9.948  -3.526   0.249
  213    HA   GLN  28           HA       GLN  28  11.943  -2.276   1.868
  214    HB2  GLN  28           1HB      GLN  28  12.059  -3.114  -1.022
  215    HB3  GLN  28           2HB      GLN  28  13.438  -2.637  -0.048
  216    HG2  GLN  28           1HG      GLN  28  11.674  -5.025   0.433
  217    HG3  GLN  28           2HG      GLN  28  13.305  -5.048  -0.235
  218   HE21  GLN  28          1HE2      GLN  28  15.054  -4.600   1.108
  219   HE22  GLN  28          2HE2      GLN  28  14.930  -4.688   2.830
  220    H    LYS  29           H        LYS  29  13.412  -0.595   0.744
  221    HA   LYS  29           HA       LYS  29  13.670   1.609   0.204
  222    HB2  LYS  29           1HB      LYS  29  11.282   1.042  -1.546
  223    HB3  LYS  29           2HB      LYS  29  12.292   2.473  -1.663
  224    HG2  LYS  29           1HG      LYS  29  14.155   1.206  -2.393
  225    HG3  LYS  29           2HG      LYS  29  13.354  -0.316  -1.997
  226    HD2  LYS  29           1HD      LYS  29  12.447   1.630  -4.121
  227    HD3  LYS  29           2HD      LYS  29  13.360   0.150  -4.420
  228    HE2  LYS  29           1HE      LYS  29  11.515  -1.142  -3.392
  229    HE3  LYS  29           2HE      LYS  29  10.598   0.354  -3.226
  230    HZ1  LYS  29           3HZ      LYS  29  11.522  -0.826  -5.786
  231    HZ2  LYS  29           1HZ      LYS  29  10.643   0.609  -5.623
  232    HZ3  LYS  29           2HZ      LYS  29   9.943  -0.865  -5.192
  233    H    SER  30           H        SER  30  11.745   0.614   2.249
  234    HA   SER  30           HA       SER  30  10.305   1.277   3.809
  235    HB2  SER  30           1HB      SER  30  10.232   3.675   4.439
  236    HB3  SER  30           2HB      SER  30  11.863   3.032   4.307
  237    HG   SER  30           HG       SER  30  11.072   4.064   1.945
  238    H    LEU  31           H        LEU  31   9.396   1.091   0.893
  239    HA   LEU  31           HA       LEU  31   7.036   2.690   0.806
  240    HB2  LEU  31           1HB      LEU  31   8.075   0.331  -0.718
  241    HB3  LEU  31           2HB      LEU  31   6.398   0.787  -0.883
  242    HG   LEU  31           HG       LEU  31   7.960   1.667  -2.637
  243   HD11  LEU  31          1HD1      LEU  31   6.442   3.723  -1.040
  244   HD12  LEU  31          2HD1      LEU  31   5.743   2.620  -2.225
  245   HD13  LEU  31          3HD1      LEU  31   6.898   3.847  -2.740
  246   HD21  LEU  31          3HD2      LEU  31   8.853   3.498  -0.432
  247   HD22  LEU  31          1HD2      LEU  31   9.278   3.633  -2.138
  248   HD23  LEU  31          2HD2      LEU  31   9.834   2.250  -1.198
  249    H    LYS  32           H        LYS  32   4.858   1.844   0.894
  250    HA   LYS  32           HA       LYS  32   4.573  -0.355   2.839
  251    HB2  LYS  32           1HB      LYS  32   3.056   2.205   2.458
  252    HB3  LYS  32           2HB      LYS  32   2.266   0.814   3.172
  253    HG2  LYS  32           1HG      LYS  32   3.064   2.316   4.881
  254    HG3  LYS  32           2HG      LYS  32   3.927   0.779   4.964
  255    HD2  LYS  32           1HD      LYS  32   5.812   1.794   3.760
  256    HD3  LYS  32           2HD      LYS  32   4.931   3.318   3.658
  257    HE2  LYS  32           1HE      LYS  32   4.880   3.341   6.164
  258    HE3  LYS  32           2HE      LYS  32   5.968   1.954   6.135
  259    HZ1  LYS  32           3HZ      LYS  32   6.497   4.689   5.126
  260    HZ2  LYS  32           1HZ      LYS  32   7.495   3.370   4.767
  261    HZ3  LYS  32           2HZ      LYS  32   7.301   3.873   6.368
  262    H    CYS  33           H        CYS  33   3.269  -2.054   2.285
  263    HA   CYS  33           HA       CYS  33   2.272  -2.085  -0.427
  264    HB2  CYS  33           1HB      CYS  33   3.329  -4.097   0.554
  265    HB3  CYS  33           2HB      CYS  33   2.024  -4.186   1.733
  266    HG   CYS  33           HG       CYS  33   1.811  -4.691  -1.637
  267    H    CYS  34           H        CYS  34   0.391  -1.237  -0.913
  268    HA   CYS  34           HA       CYS  34  -1.720  -1.213   1.137
  269    HB2  CYS  34           1HB      CYS  34  -1.380   0.708  -1.176
  270    HB3  CYS  34           2HB      CYS  34  -2.539   0.834   0.145
  271    HG   CYS  34           HG       CYS  34   0.820   0.899   0.744
  272    H    ARG  35           H        ARG  35  -3.463  -2.386   0.698
  273    HA   ARG  35           HA       ARG  35  -3.868  -3.251  -2.085
  274    HB2  ARG  35           1HB      ARG  35  -5.074  -5.169  -1.232
  275    HB3  ARG  35           2HB      ARG  35  -3.501  -5.077  -0.461
  276    HG2  ARG  35           1HG      ARG  35  -4.695  -3.943   1.481
  277    HG3  ARG  35           2HG      ARG  35  -6.194  -4.477   0.719
  278    HD2  ARG  35           1HD      ARG  35  -5.362  -6.799   0.782
  279    HD3  ARG  35           2HD      ARG  35  -3.909  -6.242   1.591
  280    HE   ARG  35           HE       ARG  35  -6.273  -5.482   3.004
  281   HH11  ARG  35          1HH1      ARG  35  -4.092  -8.159   2.410
  282   HH12  ARG  35          2HH1      ARG  35  -4.422  -8.933   3.925
  283   HH21  ARG  35          1HH2      ARG  35  -6.705  -6.504   5.006
  284   HH22  ARG  35          2HH2      ARG  35  -5.916  -8.004   5.391
  285    H    THR  36           H        THR  36  -5.658  -2.726  -3.147
  286    HA   THR  36           HA       THR  36  -7.467  -0.830  -1.970
  287    HB   THR  36           HB       THR  36  -7.843  -2.143  -4.654
  288    HG1  THR  36           HG1      THR  36  -5.822  -0.410  -3.802
  289   HG21  THR  36          1HG2      THR  36  -9.628  -0.673  -3.840
  290   HG22  THR  36          2HG2      THR  36  -8.807   0.035  -5.230
  291   HG23  THR  36          3HG2      THR  36  -8.456   0.624  -3.606
  292    H    ILE  37           H        ILE  37  -9.302  -1.268  -0.979
  293    HA   ILE  37           HA       ILE  37  -9.963  -3.967  -0.416
  294    HB   ILE  37           HB       ILE  37 -11.620  -1.531   0.208
  295   HG12  ILE  37          1HG1      ILE  37  -9.288  -1.229   0.944
  296   HG13  ILE  37          2HG1      ILE  37 -10.361  -1.433   2.318
  297   HG21  ILE  37          1HG2      ILE  37 -12.341  -2.927   2.131
  298   HG22  ILE  37          2HG2      ILE  37 -11.427  -4.273   1.456
  299   HG23  ILE  37          3HG2      ILE  37 -12.799  -3.606   0.569
  300   HD11  ILE  37          3HD1      ILE  37  -8.600  -3.561   1.128
  301   HD12  ILE  37          1HD1      ILE  37  -9.663  -3.760   2.522
  302   HD13  ILE  37          2HD1      ILE  37  -8.286  -2.661   2.614
  303    H    GLN  38           H        GLN  38 -11.035  -5.274  -1.605
  304    HA   GLN  38           HA       GLN  38 -12.715  -4.455  -3.785
  305    HB2  GLN  38           1HB      GLN  38 -13.107  -6.932  -3.999
  306    HB3  GLN  38           2HB      GLN  38 -11.417  -6.453  -4.066
  307    HG2  GLN  38           1HG      GLN  38 -11.164  -7.087  -1.702
  308    HG3  GLN  38           2HG      GLN  38 -12.843  -7.622  -1.685
  309   HE21  GLN  38          1HE2      GLN  38 -12.714  -8.719  -4.374
  310   HE22  GLN  38          2HE2      GLN  38 -11.795 -10.177  -4.261
  311    HA   PRO  39           HA       PRO  39 -16.610  -4.129  -1.646
  312    HB2  PRO  39           1HB      PRO  39 -17.676  -5.586  -4.018
  313    HB3  PRO  39           2HB      PRO  39 -18.219  -4.067  -3.294
  314    HG2  PRO  39           1HG      PRO  39 -16.832  -4.078  -5.572
  315    HG3  PRO  39           2HG      PRO  39 -16.573  -2.823  -4.347
  316    HD2  PRO  39           1HD      PRO  39 -14.883  -5.182  -5.030
  317    HD3  PRO  39           2HD      PRO  39 -14.399  -3.561  -4.494
  318    H    SER  40           H        SER  40 -17.078  -5.439  -0.012
  319    HA   SER  40           HA       SER  40 -17.026  -8.347  -0.484
  320    HB2  SER  40           1HB      SER  40 -16.066  -6.845   1.966
  321    HB3  SER  40           2HB      SER  40 -16.040  -8.595   1.753
  322    HG   SER  40           HG       SER  40 -14.677  -6.742   0.075
  323    H    GLY  41           H        GLY  41 -18.257  -9.594   1.152
  324    HA2  GLY  41           1HA      GLY  41 -20.847  -8.489   1.617
  325    HA3  GLY  41           2HA      GLY  41 -20.257 -10.038   2.211
  326    H    SER  42           H        SER  42 -21.431  -7.187   3.188
  327    HA   SER  42           HA       SER  42 -21.498  -6.017   5.121
  328    HB2  SER  42           1HB      SER  42 -19.697  -8.146   6.296
  329    HB3  SER  42           2HB      SER  42 -20.656  -6.969   7.188
  330    HG   SER  42           HG       SER  42 -21.751  -8.917   5.431
  331    H    ILE  43           H        ILE  43 -20.534  -4.145   5.301
  332    HA   ILE  43           HA       ILE  43 -18.964  -2.571   5.775
  333    HB   ILE  43           HB       ILE  43 -16.872  -4.746   5.856
  334   HG12  ILE  43          1HG1      ILE  43 -18.517  -3.595   8.129
  335   HG13  ILE  43          2HG1      ILE  43 -18.685  -5.220   7.468
  336   HG21  ILE  43          1HG2      ILE  43 -15.992  -2.478   5.626
  337   HG22  ILE  43          2HG2      ILE  43 -15.619  -3.146   7.214
  338   HG23  ILE  43          3HG2      ILE  43 -16.919  -1.969   7.035
  339   HD11  ILE  43          3HD1      ILE  43 -16.238  -4.127   8.839
  340   HD12  ILE  43          1HD1      ILE  43 -16.435  -5.761   8.207
  341   HD13  ILE  43          2HD1      ILE  43 -17.430  -5.212   9.554
  342    H    ILE  44           H        ILE  44 -18.173  -1.198   4.418
  343    HA   ILE  44           HA       ILE  44 -17.454  -0.213   2.535
  344    HB   ILE  44           HB       ILE  44 -15.384  -0.566   3.724
  345   HG12  ILE  44          1HG1      ILE  44 -14.962  -1.006   0.768
  346   HG13  ILE  44          2HG1      ILE  44 -15.433   0.532   1.482
  347   HG21  ILE  44          1HG2      ILE  44 -13.871  -2.377   3.294
  348   HG22  ILE  44          2HG2      ILE  44 -14.961  -3.061   2.091
  349   HG23  ILE  44          3HG2      ILE  44 -15.428  -3.044   3.793
  350   HD11  ILE  44          3HD1      ILE  44 -13.047   0.439   1.007
  351   HD12  ILE  44          1HD1      ILE  44 -12.889  -0.962   2.065
  352   HD13  ILE  44          2HD1      ILE  44 -13.355   0.599   2.737
  353    H    ASP  45           H        ASP  45 -18.807  -0.505   0.922
  354    HA   ASP  45           HA       ASP  45 -18.393  -2.765  -0.898
  355    HB2  ASP  45           1HB      ASP  45 -20.627  -0.759  -0.613
  356    HB3  ASP  45           2HB      ASP  45 -20.487  -1.807  -2.017
  Start of MODEL    5
    1    H    PHE   1           1H       PHE   1   9.051 -11.218   1.049
    2    HA   PHE   1           HA       PHE   1   7.497 -13.001   0.574
    3    HB2  PHE   1           1HB      PHE   1   8.062 -14.399   2.533
    4    HB3  PHE   1           2HB      PHE   1   7.314 -13.203   3.587
    5    HD1  PHE   1           HD1      PHE   1   6.572 -15.481   0.745
    6    HD2  PHE   1           HD2      PHE   1   5.052 -13.354   4.104
    7    HE1  PHE   1           HE1      PHE   1   4.399 -16.599   0.466
    8    HE2  PHE   1           HE2      PHE   1   2.876 -14.471   3.830
    9    HZ   PHE   1           HZ       PHE   1   2.549 -16.096   2.010
   10    H    PHE   2           H        PHE   2   7.714 -10.248   2.627
   11    HA   PHE   2           HA       PHE   2   5.121  -9.585   3.196
   12    HB2  PHE   2           1HB      PHE   2   7.470  -7.858   2.475
   13    HB3  PHE   2           2HB      PHE   2   5.905  -7.150   2.855
   14    HD1  PHE   2           HD2      PHE   2   4.827  -7.993   5.090
   15    HD2  PHE   2           HD1      PHE   2   8.977  -8.188   4.179
   16    HE1  PHE   2           HE2      PHE   2   5.344  -8.111   7.491
   17    HE2  PHE   2           HE1      PHE   2   9.501  -8.307   6.577
   18    HZ   PHE   2           HZ       PHE   2   7.684  -8.267   8.237
   19    H    ASP   3           H        ASP   3   6.830  -8.661   0.177
   20    HA   ASP   3           HA       ASP   3   4.243  -7.832  -0.857
   21    HB2  ASP   3           1HB      ASP   3   5.376  -6.738  -2.647
   22    HB3  ASP   3           2HB      ASP   3   6.140  -6.287  -1.132
   23    H    GLU   4           H        GLU   4   5.894 -10.607  -0.758
   24    HA   GLU   4           HA       GLU   4   5.155 -11.660  -3.320
   25    HB2  GLU   4           1HB      GLU   4   6.791 -12.588  -1.425
   26    HB3  GLU   4           2HB      GLU   4   5.328 -13.389  -0.882
   27    HG2  GLU   4           1HG      GLU   4   6.414 -13.636  -3.673
   28    HG3  GLU   4           2HG      GLU   4   6.820 -14.741  -2.366
   29    H    LYS   5           H        LYS   5   3.782 -11.453  -0.093
   30    HA   LYS   5           HA       LYS   5   1.254 -12.596  -0.762
   31    HB2  LYS   5           1HB      LYS   5   2.269 -12.349   1.567
   32    HB3  LYS   5           2HB      LYS   5   1.825 -10.655   1.476
   33    HG2  LYS   5           1HG      LYS   5   0.177 -11.897   2.738
   34    HG3  LYS   5           2HG      LYS   5  -0.532 -11.285   1.242
   35    HD2  LYS   5           1HD      LYS   5  -0.468 -13.423   0.226
   36    HD3  LYS   5           2HD      LYS   5   0.588 -14.069   1.483
   37    HE2  LYS   5           1HE      LYS   5  -1.696 -14.873   1.757
   38    HE3  LYS   5           2HE      LYS   5  -1.216 -13.859   3.114
   39    HZ1  LYS   5           3HZ      LYS   5  -2.877 -12.965   0.819
   40    HZ2  LYS   5           1HZ      LYS   5  -2.460 -12.036   2.170
   41    HZ3  LYS   5           2HZ      LYS   5  -3.467 -13.378   2.346
   42    H    CYS   6           H        CYS   6   2.654  -9.362  -0.794
   43    HA   CYS   6           HA       CYS   6   0.327  -7.879  -1.341
   44    HB2  CYS   6           1HB      CYS   6   2.597  -6.939  -0.761
   45    HB3  CYS   6           2HB      CYS   6   3.116  -7.347  -2.388
   46    HG   CYS   6           HG       CYS   6   1.691  -5.490  -3.697
   47    H    ASN   7           H        ASN   7   2.671  -9.454  -3.453
   48    HA   ASN   7           HA       ASN   7   1.603  -8.793  -5.940
   49    HB2  ASN   7           1HB      ASN   7   3.809  -9.862  -5.548
   50    HB3  ASN   7           2HB      ASN   7   2.990 -11.356  -5.131
   51   HD21  ASN   7          1HD2      ASN   7   2.062  -9.150  -7.711
   52   HD22  ASN   7          2HD2      ASN   7   2.404 -10.245  -9.006
   53    H    LYS   8           H        LYS   8   0.976 -11.534  -3.828
   54    HA   LYS   8           HA       LYS   8  -0.829 -12.928  -5.437
   55    HB2  LYS   8           1HB      LYS   8   0.249 -13.799  -3.376
   56    HB3  LYS   8           2HB      LYS   8  -0.806 -12.772  -2.419
   57    HG2  LYS   8           1HG      LYS   8  -1.630 -15.046  -2.448
   58    HG3  LYS   8           2HG      LYS   8  -2.755 -13.976  -3.288
   59    HD2  LYS   8           1HD      LYS   8  -1.883 -14.697  -5.430
   60    HD3  LYS   8           2HD      LYS   8  -0.679 -15.704  -4.627
   61    HE2  LYS   8           1HE      LYS   8  -2.457 -17.063  -3.657
   62    HE3  LYS   8           2HE      LYS   8  -3.667 -16.045  -4.434
   63    HZ1  LYS   8           3HZ      LYS   8  -1.628 -17.660  -5.860
   64    HZ2  LYS   8           1HZ      LYS   8  -2.839 -16.726  -6.580
   65    HZ3  LYS   8           2HZ      LYS   8  -3.253 -18.089  -5.673
   66    H    LEU   9           H        LEU   9  -1.347 -10.277  -3.172
   67    HA   LEU   9           HA       LEU   9  -4.225 -10.358  -3.571
   68    HB2  LEU   9           1HB      LEU   9  -2.522  -8.449  -1.973
   69    HB3  LEU   9           2HB      LEU   9  -4.271  -8.521  -1.951
   70    HG   LEU   9           HG       LEU   9  -2.420 -10.711  -1.006
   71   HD11  LEU   9          1HD1      LEU   9  -4.142  -8.774   0.532
   72   HD12  LEU   9          2HD1      LEU   9  -2.379  -8.792   0.476
   73   HD13  LEU   9          3HD1      LEU   9  -3.251 -10.131   1.225
   74   HD21  LEU   9          3HD2      LEU   9  -4.449 -11.766  -0.157
   75   HD22  LEU   9          1HD2      LEU   9  -4.510 -11.585  -1.908
   76   HD23  LEU   9          2HD2      LEU   9  -5.423 -10.487  -0.876
   77    H    LYS  10           H        LYS  10  -1.703  -9.210  -5.270
   78    HA   LYS  10           HA       LYS  10  -1.430  -7.768  -6.983
   79    HB2  LYS  10           1HB      LYS  10  -4.448  -7.717  -6.893
   80    HB3  LYS  10           2HB      LYS  10  -3.509  -6.874  -8.114
   81    HG2  LYS  10           1HG      LYS  10  -4.127  -8.853  -9.153
   82    HG3  LYS  10           2HG      LYS  10  -2.474  -9.163  -8.624
   83    HD2  LYS  10           1HD      LYS  10  -3.360 -10.319  -6.634
   84    HD3  LYS  10           2HD      LYS  10  -4.997 -10.055  -7.235
   85    HE2  LYS  10           1HE      LYS  10  -4.427 -11.343  -9.261
   86    HE3  LYS  10           2HE      LYS  10  -2.827 -11.656  -8.587
   87    HZ1  LYS  10           3HZ      LYS  10  -5.424 -12.535  -7.451
   88    HZ2  LYS  10           1HZ      LYS  10  -3.925 -12.757  -6.700
   89    HZ3  LYS  10           2HZ      LYS  10  -4.256 -13.522  -8.173
   90    H    GLY  11           H        GLY  11  -1.146  -6.778  -4.390
   91    HA2  GLY  11           1HA      GLY  11  -2.276  -4.075  -4.464
   92    HA3  GLY  11           2HA      GLY  11  -1.392  -4.795  -3.124
   93    H    THR  12           H        THR  12  -0.755  -2.253  -3.944
   94    HA   THR  12           HA       THR  12   1.763  -2.643  -5.440
   95    HB   THR  12           HB       THR  12   0.393   0.019  -5.207
   96    HG1  THR  12           HG1      THR  12  -1.166  -1.377  -6.103
   97   HG21  THR  12          1HG2      THR  12   1.548   0.429  -7.339
   98   HG22  THR  12          2HG2      THR  12   2.211  -1.204  -7.285
   99   HG23  THR  12          3HG2      THR  12   2.677  -0.023  -6.061
  100    H    CYS  13           H        CYS  13   3.634  -1.618  -4.642
  101    HA   CYS  13           HA       CYS  13   3.512  -0.869  -1.838
  102    HB2  CYS  13           1HB      CYS  13   6.007  -0.878  -3.541
  103    HB3  CYS  13           2HB      CYS  13   5.873  -1.024  -1.797
  104    HG   CYS  13           HG       CYS  13   5.818  -3.579  -1.693
  105    H    LYS  14           H        LYS  14   2.863   1.106  -1.455
  106    HA   LYS  14           HA       LYS  14   4.017   3.310  -3.012
  107    HB2  LYS  14           1HB      LYS  14   1.809   4.486  -2.790
  108    HB3  LYS  14           2HB      LYS  14   1.792   3.090  -3.859
  109    HG2  LYS  14           1HG      LYS  14   0.720   1.750  -2.185
  110    HG3  LYS  14           2HG      LYS  14   0.883   3.037  -0.991
  111    HD2  LYS  14           1HD      LYS  14  -1.378   3.006  -1.818
  112    HD3  LYS  14           2HD      LYS  14  -0.570   4.466  -2.390
  113    HE2  LYS  14           1HE      LYS  14  -0.203   3.417  -4.562
  114    HE3  LYS  14           2HE      LYS  14  -0.972   1.938  -3.990
  115    HZ1  LYS  14           3HZ      LYS  14  -2.510   3.254  -5.279
  116    HZ2  LYS  14           1HZ      LYS  14  -2.279   4.590  -4.268
  117    HZ3  LYS  14           2HZ      LYS  14  -3.029   3.191  -3.668
  118    H    ASN  15           H        ASN  15   3.454   5.460  -1.802
  119    HA   ASN  15           HA       ASN  15   4.629   5.265   0.790
  120    HB2  ASN  15           1HB      ASN  15   5.086   7.162  -0.661
  121    HB3  ASN  15           2HB      ASN  15   3.400   7.591  -0.634
  122   HD21  ASN  15          1HD2      ASN  15   6.328   7.438   1.257
  123   HD22  ASN  15          2HD2      ASN  15   5.810   8.538   2.491
  124    H    ASN  16           H        ASN  16   1.684   6.874  -0.212
  125    HA   ASN  16           HA       ASN  16   0.429   6.103   2.342
  126    HB2  ASN  16           1HB      ASN  16  -1.008   8.126   2.010
  127    HB3  ASN  16           2HB      ASN  16   0.701   8.492   2.217
  128   HD21  ASN  16          1HD2      ASN  16   1.915   9.137   0.423
  129   HD22  ASN  16          2HD2      ASN  16   1.152   9.812  -0.978
  130    H    CYS  17           H        CYS  17  -1.671   5.367   2.355
  131    HA   CYS  17           HA       CYS  17  -2.441   3.844   0.075
  132    HB2  CYS  17           1HB      CYS  17  -4.071   4.413   2.554
  133    HB3  CYS  17           2HB      CYS  17  -4.249   3.052   1.456
  134    HG   CYS  17           HG       CYS  17  -1.630   2.058   2.140
  135    H    GLY  18           H        GLY  18  -3.956   4.251  -1.443
  136    HA2  GLY  18           1HA      GLY  18  -5.068   6.942  -1.539
  137    HA3  GLY  18           2HA      GLY  18  -5.078   5.756  -2.838
  138    H    LYS  19           H        LYS  19  -7.321   6.320  -3.137
  139    HA   LYS  19           HA       LYS  19  -9.296   6.084  -1.197
  140    HB2  LYS  19           1HB      LYS  19 -10.852   5.669  -3.146
  141    HB3  LYS  19           2HB      LYS  19  -9.882   7.129  -3.234
  142    HG2  LYS  19           1HG      LYS  19  -9.690   6.357  -5.372
  143    HG3  LYS  19           2HG      LYS  19  -8.270   5.619  -4.636
  144    HD2  LYS  19           1HD      LYS  19  -9.523   3.522  -4.342
  145    HD3  LYS  19           2HD      LYS  19 -10.933   4.271  -5.099
  146    HE2  LYS  19           1HE      LYS  19  -9.636   4.615  -7.149
  147    HE3  LYS  19           2HE      LYS  19  -8.241   3.849  -6.390
  148    HZ1  LYS  19           3HZ      LYS  19 -10.851   2.547  -6.947
  149    HZ2  LYS  19           1HZ      LYS  19  -9.529   1.809  -6.193
  150    HZ3  LYS  19           2HZ      LYS  19  -9.414   2.301  -7.803
  151    H    ASN  20           H        ASN  20 -10.235   4.483  -0.188
  152    HA   ASN  20           HA       ASN  20 -10.719   2.404   0.576
  153    HB2  ASN  20           1HB      ASN  20 -10.800   1.759  -2.382
  154    HB3  ASN  20           2HB      ASN  20 -11.472   0.755  -1.104
  155   HD21  ASN  20          1HD2      ASN  20 -13.356   1.427  -0.050
  156   HD22  ASN  20          2HD2      ASN  20 -14.387   2.640  -0.727
  157    H    GLU  21           H        GLU  21  -8.107   2.742   0.950
  158    HA   GLU  21           HA       GLU  21  -7.069   0.083   0.280
  159    HB2  GLU  21           1HB      GLU  21  -5.606   2.689  -0.080
  160    HB3  GLU  21           2HB      GLU  21  -4.749   1.169   0.124
  161    HG2  GLU  21           1HG      GLU  21  -5.994   0.295  -1.854
  162    HG3  GLU  21           2HG      GLU  21  -6.631   1.921  -2.097
  163    H    GLU  22           H        GLU  22  -5.608  -0.801   1.749
  164    HA   GLU  22           HA       GLU  22  -5.252   0.675   4.271
  165    HB2  GLU  22           1HB      GLU  22  -5.668  -1.325   5.558
  166    HB3  GLU  22           2HB      GLU  22  -7.048  -1.025   4.515
  167    HG2  GLU  22           1HG      GLU  22  -6.262  -2.735   2.966
  168    HG3  GLU  22           2HG      GLU  22  -4.859  -3.017   3.993
  169    H    LEU  23           H        LEU  23  -3.480  -0.296   5.612
  170    HA   LEU  23           HA       LEU  23  -1.215  -0.819   3.865
  171    HB2  LEU  23           1HB      LEU  23  -1.507   0.729   6.112
  172    HB3  LEU  23           2HB      LEU  23  -0.759  -0.715   6.762
  173    HG   LEU  23           HG       LEU  23   1.210  -0.417   5.483
  174   HD11  LEU  23          1HD1      LEU  23   0.436   0.020   3.331
  175   HD12  LEU  23          2HD1      LEU  23   1.284   1.499   3.796
  176   HD13  LEU  23          3HD1      LEU  23  -0.479   1.440   3.846
  177   HD21  LEU  23          3HD2      LEU  23   1.063   1.117   7.357
  178   HD22  LEU  23          1HD2      LEU  23   0.226   2.298   6.351
  179   HD23  LEU  23          2HD2      LEU  23   1.904   1.880   6.007
  180    H    ILE  24           H        ILE  24  -0.760  -2.812   3.393
  181    HA   ILE  24           HA       ILE  24  -1.811  -4.954   5.086
  182    HB   ILE  24           HB       ILE  24  -2.222  -6.153   3.210
  183   HG12  ILE  24          1HG1      ILE  24  -0.023  -5.003   1.550
  184   HG13  ILE  24          2HG1      ILE  24   0.418  -6.103   2.851
  185   HG21  ILE  24          1HG2      ILE  24  -2.637  -4.737   1.241
  186   HG22  ILE  24          2HG2      ILE  24  -1.740  -3.431   2.012
  187   HG23  ILE  24          3HG2      ILE  24  -3.241  -4.016   2.733
  188   HD11  ILE  24          3HD1      ILE  24  -1.120  -7.757   1.900
  189   HD12  ILE  24          1HD1      ILE  24   0.216  -7.325   0.834
  190   HD13  ILE  24          2HD1      ILE  24  -1.396  -6.667   0.541
  191    H    ALA  25           H        ALA  25   1.197  -3.716   3.761
  192    HA   ALA  25           HA       ALA  25   2.732  -5.463   5.476
  193    HB1  ALA  25           3HB      ALA  25   2.238  -6.941   3.560
  194    HB2  ALA  25           1HB      ALA  25   3.960  -6.594   3.721
  195    HB3  ALA  25           2HB      ALA  25   3.007  -5.775   2.486
  196    H    LEU  26           H        LEU  26   5.055  -5.133   5.195
  197    HA   LEU  26           HA       LEU  26   5.588  -2.317   4.557
  198    HB2  LEU  26           1HB      LEU  26   6.779  -4.172   6.605
  199    HB3  LEU  26           2HB      LEU  26   7.437  -2.582   6.251
  200    HG   LEU  26           HG       LEU  26   4.699  -3.176   7.387
  201   HD11  LEU  26          1HD1      LEU  26   6.504  -3.528   8.985
  202   HD12  LEU  26          2HD1      LEU  26   5.557  -2.100   9.401
  203   HD13  LEU  26          3HD1      LEU  26   7.137  -1.919   8.637
  204   HD21  LEU  26          3HD2      LEU  26   6.026  -0.539   6.766
  205   HD22  LEU  26          1HD2      LEU  26   4.517  -0.739   7.655
  206   HD23  LEU  26          2HD2      LEU  26   4.611  -1.216   5.961
  207    H    CYS  27           H        CYS  27   6.990  -1.936   2.973
  208    HA   CYS  27           HA       CYS  27   8.672  -4.162   2.042
  209    HB2  CYS  27           1HB      CYS  27   7.288  -1.929   0.594
  210    HB3  CYS  27           2HB      CYS  27   8.675  -2.727  -0.131
  211    HG   CYS  27           HG       CYS  27   5.971  -4.509   0.935
  212    H    GLN  28           H        GLN  28  10.700  -3.511   0.974
  213    HA   GLN  28           HA       GLN  28  12.196  -1.691   2.569
  214    HB2  GLN  28           1HB      GLN  28  12.919  -3.042  -0.025
  215    HB3  GLN  28           2HB      GLN  28  14.040  -2.188   1.018
  216    HG2  GLN  28           1HG      GLN  28  13.625  -3.783   2.805
  217    HG3  GLN  28           2HG      GLN  28  12.472  -4.639   1.785
  218   HE21  GLN  28          1HE2      GLN  28  13.650  -6.550   1.918
  219   HE22  GLN  28          2HE2      GLN  28  15.148  -6.766   1.079
  220    H    LYS  29           H        LYS  29  13.670  -0.076   1.283
  221    HA   LYS  29           HA       LYS  29  13.765   2.009   0.379
  222    HB2  LYS  29           1HB      LYS  29  11.499   1.012  -1.344
  223    HB3  LYS  29           2HB      LYS  29  12.315   2.548  -1.577
  224    HG2  LYS  29           1HG      LYS  29  14.442   1.247  -1.889
  225    HG3  LYS  29           2HG      LYS  29  13.454  -0.214  -1.908
  226    HD2  LYS  29           1HD      LYS  29  13.131   2.133  -3.779
  227    HD3  LYS  29           2HD      LYS  29  13.956   0.628  -4.176
  228    HE2  LYS  29           1HE      LYS  29  11.098   0.694  -3.250
  229    HE3  LYS  29           2HE      LYS  29  11.537   0.877  -4.948
  230    HZ1  LYS  29           3HZ      LYS  29  11.010  -1.411  -4.443
  231    HZ2  LYS  29           1HZ      LYS  29  12.181  -1.454  -3.223
  232    HZ3  LYS  29           2HZ      LYS  29  12.648  -1.277  -4.836
  233    H    SER  30           H        SER  30  11.611   0.981   2.382
  234    HA   SER  30           HA       SER  30  10.293   1.969   3.928
  235    HB2  SER  30           1HB      SER  30  10.734   4.534   2.388
  236    HB3  SER  30           2HB      SER  30   9.991   4.405   3.983
  237    HG   SER  30           HG       SER  30  12.591   3.420   3.429
  238    H    LEU  31           H        LEU  31   9.526   1.505   0.767
  239    HA   LEU  31           HA       LEU  31   6.936   2.628   0.612
  240    HB2  LEU  31           1HB      LEU  31   8.366   0.419  -0.839
  241    HB3  LEU  31           2HB      LEU  31   6.665   0.689  -1.107
  242    HG   LEU  31           HG       LEU  31   8.122   1.736  -2.797
  243   HD11  LEU  31          1HD1      LEU  31   5.894   2.618  -2.393
  244   HD12  LEU  31          2HD1      LEU  31   7.015   3.909  -2.819
  245   HD13  LEU  31          3HD1      LEU  31   6.532   3.680  -1.138
  246   HD21  LEU  31          3HD2      LEU  31   9.371   3.752  -2.257
  247   HD22  LEU  31          1HD2      LEU  31  10.008   2.345  -1.407
  248   HD23  LEU  31          2HD2      LEU  31   9.009   3.515  -0.547
  249    H    LYS  32           H        LYS  32   4.895   1.647   0.908
  250    HA   LYS  32           HA       LYS  32   4.929  -0.825   2.525
  251    HB2  LYS  32           1HB      LYS  32   2.989   1.483   2.681
  252    HB3  LYS  32           2HB      LYS  32   2.808  -0.034   3.542
  253    HG2  LYS  32           1HG      LYS  32   3.699   1.203   5.192
  254    HG3  LYS  32           2HG      LYS  32   5.202   0.637   4.453
  255    HD2  LYS  32           1HD      LYS  32   5.395   2.698   3.186
  256    HD3  LYS  32           2HD      LYS  32   3.852   3.263   3.827
  257    HE2  LYS  32           1HE      LYS  32   5.658   4.323   5.023
  258    HE3  LYS  32           2HE      LYS  32   4.811   3.212   6.098
  259    HZ1  LYS  32           3HZ      LYS  32   7.220   3.049   6.319
  260    HZ2  LYS  32           1HZ      LYS  32   7.357   2.626   4.686
  261    HZ3  LYS  32           2HZ      LYS  32   6.562   1.594   5.766
  262    H    CYS  33           H        CYS  33   3.163  -2.285   2.188
  263    HA   CYS  33           HA       CYS  33   2.200  -2.207  -0.546
  264    HB2  CYS  33           1HB      CYS  33   1.976  -4.276   1.638
  265    HB3  CYS  33           2HB      CYS  33   1.306  -4.470   0.026
  266    HG   CYS  33           HG       CYS  33   3.591  -4.786  -1.294
  267    H    CYS  34           H        CYS  34   0.324  -1.331  -1.056
  268    HA   CYS  34           HA       CYS  34  -1.788  -1.258   0.996
  269    HB2  CYS  34           1HB      CYS  34  -1.366   0.607  -1.351
  270    HB3  CYS  34           2HB      CYS  34  -2.690   0.703  -0.195
  271    HG   CYS  34           HG       CYS  34   0.592   1.022   0.710
  272    H    ARG  35           H        ARG  35  -3.663  -2.247   0.562
  273    HA   ARG  35           HA       ARG  35  -4.041  -3.232  -2.192
  274    HB2  ARG  35           1HB      ARG  35  -5.259  -5.134  -1.310
  275    HB3  ARG  35           2HB      ARG  35  -3.666  -5.058  -0.580
  276    HG2  ARG  35           1HG      ARG  35  -4.816  -3.891   1.381
  277    HG3  ARG  35           2HG      ARG  35  -6.326  -4.448   0.660
  278    HD2  ARG  35           1HD      ARG  35  -5.564  -6.754   0.798
  279    HD3  ARG  35           2HD      ARG  35  -4.010  -6.229   1.413
  280    HE   ARG  35           HE       ARG  35  -5.774  -5.210   3.201
  281   HH11  ARG  35          1HH1      ARG  35  -5.270  -8.422   1.911
  282   HH12  ARG  35          2HH1      ARG  35  -5.719  -9.222   3.379
  283   HH21  ARG  35          1HH2      ARG  35  -6.367  -6.244   5.133
  284   HH22  ARG  35          2HH2      ARG  35  -6.351  -7.985   5.215
  285    H    THR  36           H        THR  36  -5.885  -2.786  -3.226
  286    HA   THR  36           HA       THR  36  -7.576  -0.767  -2.061
  287    HB   THR  36           HB       THR  36  -7.891  -2.075  -4.767
  288    HG1  THR  36           HG1      THR  36  -5.930  -0.444  -3.804
  289   HG21  THR  36          1HG2      THR  36  -9.798  -0.714  -3.977
  290   HG22  THR  36          2HG2      THR  36  -8.994   0.016  -5.365
  291   HG23  THR  36          3HG2      THR  36  -8.710   0.657  -3.748
  292    H    ILE  37           H        ILE  37  -9.308  -1.119  -0.978
  293    HA   ILE  37           HA       ILE  37 -10.347  -3.714  -0.494
  294    HB   ILE  37           HB       ILE  37 -11.528  -1.034   0.233
  295   HG12  ILE  37          1HG1      ILE  37  -9.263  -1.089   1.030
  296   HG13  ILE  37          2HG1      ILE  37 -10.323  -1.386   2.398
  297   HG21  ILE  37          1HG2      ILE  37 -12.560  -2.268   2.091
  298   HG22  ILE  37          2HG2      ILE  37 -11.896  -3.768   1.445
  299   HG23  ILE  37          3HG2      ILE  37 -13.092  -2.862   0.518
  300   HD11  ILE  37          3HD1      ILE  37  -9.870  -3.794   2.187
  301   HD12  ILE  37          1HD1      ILE  37  -8.421  -2.844   2.513
  302   HD13  ILE  37          2HD1      ILE  37  -8.738  -3.437   0.884
  303    H    GLN  38           H        GLN  38 -11.972  -4.739  -1.414
  304    HA   GLN  38           HA       GLN  38 -13.601  -3.376  -3.416
  305    HB2  GLN  38           1HB      GLN  38 -13.390  -6.297  -2.652
  306    HB3  GLN  38           2HB      GLN  38 -14.419  -5.670  -3.932
  307    HG2  GLN  38           1HG      GLN  38 -11.415  -5.519  -3.839
  308    HG3  GLN  38           2HG      GLN  38 -12.375  -6.615  -4.832
  309   HE21  GLN  38          1HE2      GLN  38 -13.504  -5.798  -6.597
  310   HE22  GLN  38          2HE2      GLN  38 -13.142  -4.254  -7.282
  311    HA   PRO  39           HA       PRO  39 -16.894  -2.608  -0.491
  312    HB2  PRO  39           1HB      PRO  39 -18.509  -3.043  -2.966
  313    HB3  PRO  39           2HB      PRO  39 -18.603  -1.738  -1.780
  314    HG2  PRO  39           1HG      PRO  39 -17.438  -1.333  -4.133
  315    HG3  PRO  39           2HG      PRO  39 -16.759  -0.631  -2.653
  316    HD2  PRO  39           1HD      PRO  39 -15.811  -2.957  -4.253
  317    HD3  PRO  39           2HD      PRO  39 -14.878  -1.763  -3.332
  318    H    SER  40           H        SER  40 -17.924  -3.974   0.799
  319    HA   SER  40           HA       SER  40 -19.072  -5.765   1.602
  320    HB2  SER  40           1HB      SER  40 -20.498  -5.647  -0.406
  321    HB3  SER  40           2HB      SER  40 -19.324  -6.625  -1.286
  322    HG   SER  40           HG       SER  40 -19.821  -8.036   0.812
  323    H    GLY  41           H        GLY  41 -16.180  -5.828   0.053
  324    HA2  GLY  41           1HA      GLY  41 -15.539  -8.600   0.118
  325    HA3  GLY  41           2HA      GLY  41 -14.391  -7.271   0.035
  326    H    SER  42           H        SER  42 -14.668  -9.837   1.673
  327    HA   SER  42           HA       SER  42 -14.673  -8.726   4.376
  328    HB2  SER  42           1HB      SER  42 -14.529 -11.612   3.471
  329    HB3  SER  42           2HB      SER  42 -14.816 -11.039   5.114
  330    HG   SER  42           HG       SER  42 -16.713  -9.929   4.126
  331    H    ILE  43           H        ILE  43 -12.990 -10.348   5.733
  332    HA   ILE  43           HA       ILE  43 -10.856 -11.027   6.165
  333    HB   ILE  43           HB       ILE  43 -10.280 -10.434   3.256
  334   HG12  ILE  43          1HG1      ILE  43 -10.807 -13.077   4.645
  335   HG13  ILE  43          2HG1      ILE  43 -11.973 -12.219   3.643
  336   HG21  ILE  43          1HG2      ILE  43  -8.256 -10.377   4.612
  337   HG22  ILE  43          2HG2      ILE  43  -8.276 -11.805   3.578
  338   HG23  ILE  43          3HG2      ILE  43  -8.653 -11.955   5.294
  339   HD11  ILE  43          3HD1      ILE  43 -10.913 -14.042   2.432
  340   HD12  ILE  43          1HD1      ILE  43  -9.330 -13.320   2.714
  341   HD13  ILE  43          2HD1      ILE  43 -10.516 -12.484   1.711
  342    H    ILE  44           H        ILE  44 -11.147  -8.109   4.209
  343    HA   ILE  44           HA       ILE  44  -8.709  -6.942   5.118
  344    HB   ILE  44           HB       ILE  44  -9.482  -4.924   3.959
  345   HG12  ILE  44          1HG1      ILE  44 -11.724  -5.445   2.583
  346   HG13  ILE  44          2HG1      ILE  44 -12.089  -6.365   4.037
  347   HG21  ILE  44          1HG2      ILE  44  -9.714  -5.928   1.700
  348   HG22  ILE  44          2HG2      ILE  44  -9.911  -7.508   2.467
  349   HG23  ILE  44          3HG2      ILE  44  -8.398  -6.619   2.651
  350   HD11  ILE  44          3HD1      ILE  44 -13.033  -4.150   4.181
  351   HD12  ILE  44          1HD1      ILE  44 -11.448  -3.425   3.895
  352   HD13  ILE  44          2HD1      ILE  44 -11.751  -4.335   5.378
  353    H    ASP  45           H        ASP  45  -8.857  -4.574   6.033
  354    HA   ASP  45           HA       ASP  45 -10.942  -4.212   7.997
  355    HB2  ASP  45           1HB      ASP  45  -9.433  -5.820   9.134
  356    HB3  ASP  45           2HB      ASP  45  -8.107  -4.676   8.948
  Start of MODEL    6
    1    H    PHE   1           1H       PHE   1   8.617 -12.131   2.011
    2    HA   PHE   1           HA       PHE   1   6.452 -14.075   1.479
    3    HB2  PHE   1           1HB      PHE   1   7.509 -12.937   4.080
    4    HB3  PHE   1           2HB      PHE   1   6.127 -14.011   3.926
    5    HD1  PHE   1           HD2      PHE   1   6.442 -16.360   3.318
    6    HD2  PHE   1           HD1      PHE   1   9.748 -13.764   3.977
    7    HE1  PHE   1           HE2      PHE   1   7.926 -18.309   3.535
    8    HE2  PHE   1           HE1      PHE   1  11.235 -15.708   4.201
    9    HZ   PHE   1           HZ       PHE   1  10.327 -17.982   3.979
   10    H    PHE   2           H        PHE   2   7.267 -10.873   2.831
   11    HA   PHE   2           HA       PHE   2   4.672 -10.045   3.381
   12    HB2  PHE   2           1HB      PHE   2   7.206  -8.551   2.810
   13    HB3  PHE   2           2HB      PHE   2   5.693  -7.680   3.031
   14    HD1  PHE   2           HD1      PHE   2   4.405  -8.047   5.178
   15    HD2  PHE   2           HD2      PHE   2   8.439  -9.289   4.650
   16    HE1  PHE   2           HE1      PHE   2   4.683  -8.160   7.618
   17    HE2  PHE   2           HE2      PHE   2   8.723  -9.410   7.090
   18    HZ   PHE   2           HZ       PHE   2   6.843  -8.846   8.576
   19    H    ASP   3           H        ASP   3   6.574  -9.274   0.429
   20    HA   ASP   3           HA       ASP   3   4.108  -8.239  -0.701
   21    HB2  ASP   3           1HB      ASP   3   5.421  -7.378  -2.538
   22    HB3  ASP   3           2HB      ASP   3   6.093  -6.869  -0.998
   23    H    GLU   4           H        GLU   4   5.293 -11.201  -0.432
   24    HA   GLU   4           HA       GLU   4   4.407 -12.201  -2.990
   25    HB2  GLU   4           1HB      GLU   4   5.946 -13.504  -1.497
   26    HB3  GLU   4           2HB      GLU   4   4.632 -13.660  -0.340
   27    HG2  GLU   4           1HG      GLU   4   4.769 -15.685  -1.573
   28    HG3  GLU   4           2HG      GLU   4   3.317 -14.834  -2.092
   29    H    LYS   5           H        LYS   5   3.159 -11.630   0.224
   30    HA   LYS   5           HA       LYS   5   0.479 -12.405  -0.222
   31    HB2  LYS   5           1HB      LYS   5   1.629 -11.908   1.998
   32    HB3  LYS   5           2HB      LYS   5   1.442 -10.208   1.609
   33    HG2  LYS   5           1HG      LYS   5  -0.310 -10.837   3.090
   34    HG3  LYS   5           2HG      LYS   5  -1.015 -10.567   1.495
   35    HD2  LYS   5           1HD      LYS   5  -1.230 -12.888   1.095
   36    HD3  LYS   5           2HD      LYS   5  -0.202 -13.293   2.471
   37    HE2  LYS   5           1HE      LYS   5  -2.542 -13.709   2.987
   38    HE3  LYS   5           2HE      LYS   5  -1.896 -12.420   3.997
   39    HZ1  LYS   5           3HZ      LYS   5  -4.098 -11.893   3.159
   40    HZ2  LYS   5           1HZ      LYS   5  -3.552 -12.033   1.566
   41    HZ3  LYS   5           2HZ      LYS   5  -2.955 -10.803   2.561
   42    H    CYS   6           H        CYS   6   2.274  -9.394  -0.636
   43    HA   CYS   6           HA       CYS   6   0.167  -7.738  -1.469
   44    HB2  CYS   6           1HB      CYS   6   2.535  -7.039  -0.866
   45    HB3  CYS   6           2HB      CYS   6   3.035  -7.623  -2.446
   46    HG   CYS   6           HG       CYS   6   1.420  -5.780  -3.848
   47    H    ASN   7           H        ASN   7   2.347  -9.863  -3.243
   48    HA   ASN   7           HA       ASN   7   1.409  -9.396  -5.848
   49    HB2  ASN   7           1HB      ASN   7   3.499 -10.556  -5.398
   50    HB3  ASN   7           2HB      ASN   7   2.641 -11.864  -4.608
   51   HD21  ASN   7          1HD2      ASN   7   3.477 -13.392  -5.976
   52   HD22  ASN   7          2HD2      ASN   7   2.969 -13.544  -7.625
   53    H    LYS   8           H        LYS   8   0.588 -11.919  -3.516
   54    HA   LYS   8           HA       LYS   8  -1.308 -13.328  -4.947
   55    HB2  LYS   8           1HB      LYS   8  -0.399 -13.996  -2.749
   56    HB3  LYS   8           2HB      LYS   8  -1.340 -12.726  -1.983
   57    HG2  LYS   8           1HG      LYS   8  -2.422 -14.863  -1.688
   58    HG3  LYS   8           2HG      LYS   8  -3.406 -13.826  -2.721
   59    HD2  LYS   8           1HD      LYS   8  -2.620 -14.987  -4.694
   60    HD3  LYS   8           2HD      LYS   8  -1.523 -15.963  -3.716
   61    HE2  LYS   8           1HE      LYS   8  -3.515 -17.231  -4.288
   62    HE3  LYS   8           2HE      LYS   8  -3.443 -16.942  -2.552
   63    HZ1  LYS   8           3HZ      LYS   8  -5.665 -16.585  -3.430
   64    HZ2  LYS   8           1HZ      LYS   8  -5.086 -15.401  -4.486
   65    HZ3  LYS   8           2HZ      LYS   8  -5.030 -15.145  -2.818
   66    H    LEU   9           H        LEU   9  -1.798 -10.459  -2.917
   67    HA   LEU   9           HA       LEU   9  -4.628 -10.402  -3.471
   68    HB2  LEU   9           1HB      LEU   9  -2.860  -8.374  -2.104
   69    HB3  LEU   9           2HB      LEU   9  -4.611  -8.348  -2.130
   70    HG   LEU   9           HG       LEU   9  -2.945 -10.513  -0.850
   71   HD11  LEU   9          1HD1      LEU   9  -2.712  -8.415   0.339
   72   HD12  LEU   9          2HD1      LEU   9  -3.704  -9.540   1.265
   73   HD13  LEU   9          3HD1      LEU   9  -4.464  -8.221   0.376
   74   HD21  LEU   9          3HD2      LEU   9  -5.092 -11.340  -1.604
   75   HD22  LEU   9          1HD2      LEU   9  -5.909  -9.983  -0.830
   76   HD23  LEU   9          2HD2      LEU   9  -5.088 -11.192   0.153
   77    H    LYS  10           H        LYS  10  -1.878  -9.410  -5.059
   78    HA   LYS  10           HA       LYS  10  -1.403  -8.116  -6.831
   79    HB2  LYS  10           1HB      LYS  10  -4.385  -8.312  -7.172
   80    HB3  LYS  10           2HB      LYS  10  -3.379  -7.419  -8.302
   81    HG2  LYS  10           1HG      LYS  10  -3.004 -10.328  -7.620
   82    HG3  LYS  10           2HG      LYS  10  -3.875  -9.729  -9.035
   83    HD2  LYS  10           1HD      LYS  10  -1.866  -8.653  -9.854
   84    HD3  LYS  10           2HD      LYS  10  -0.983  -9.129  -8.407
   85    HE2  LYS  10           1HE      LYS  10  -2.216 -11.067 -10.353
   86    HE3  LYS  10           2HE      LYS  10  -0.531 -10.549 -10.405
   87    HZ1  LYS  10           3HZ      LYS  10  -0.243 -11.454  -8.169
   88    HZ2  LYS  10           1HZ      LYS  10  -0.750 -12.646  -9.256
   89    HZ3  LYS  10           2HZ      LYS  10  -1.848 -11.980  -8.161
   90    H    GLY  11           H        GLY  11  -1.446  -6.918  -4.388
   91    HA2  GLY  11           1HA      GLY  11  -2.478  -4.216  -4.914
   92    HA3  GLY  11           2HA      GLY  11  -1.858  -4.801  -3.371
   93    H    THR  12           H        THR  12  -0.794  -2.504  -3.961
   94    HA   THR  12           HA       THR  12   1.820  -3.168  -5.123
   95    HB   THR  12           HB       THR  12   0.646  -1.946  -6.839
   96    HG1  THR  12           HG1      THR  12   2.689  -1.293  -6.971
   97   HG21  THR  12          1HG2      THR  12  -0.122   0.359  -6.465
   98   HG22  THR  12          2HG2      THR  12   0.269   0.189  -4.754
   99   HG23  THR  12          3HG2      THR  12  -1.000  -0.803  -5.472
  100    H    CYS  13           H        CYS  13   3.544  -1.857  -4.439
  101    HA   CYS  13           HA       CYS  13   3.232  -1.034  -1.660
  102    HB2  CYS  13           1HB      CYS  13   5.852  -1.039  -3.146
  103    HB3  CYS  13           2HB      CYS  13   5.550  -1.261  -1.428
  104    HG   CYS  13           HG       CYS  13   4.778  -3.560  -3.844
  105    H    LYS  14           H        LYS  14   2.643   0.974  -1.344
  106    HA   LYS  14           HA       LYS  14   3.894   3.082  -2.963
  107    HB2  LYS  14           1HB      LYS  14   1.775   4.356  -2.827
  108    HB3  LYS  14           2HB      LYS  14   1.616   2.860  -3.738
  109    HG2  LYS  14           1HG      LYS  14   0.602   1.782  -1.798
  110    HG3  LYS  14           2HG      LYS  14   0.761   3.282  -0.883
  111    HD2  LYS  14           1HD      LYS  14  -1.495   3.076  -1.717
  112    HD3  LYS  14           2HD      LYS  14  -0.678   4.409  -2.539
  113    HE2  LYS  14           1HE      LYS  14  -0.282   2.993  -4.475
  114    HE3  LYS  14           2HE      LYS  14  -1.013   1.620  -3.645
  115    HZ1  LYS  14           3HZ      LYS  14  -2.567   2.633  -5.170
  116    HZ2  LYS  14           1HZ      LYS  14  -2.398   4.131  -4.405
  117    HZ3  LYS  14           2HZ      LYS  14  -3.109   2.834  -3.577
  118    H    ASN  15           H        ASN  15   3.690   5.257  -1.822
  119    HA   ASN  15           HA       ASN  15   4.811   4.901   0.785
  120    HB2  ASN  15           1HB      ASN  15   4.194   7.348  -0.864
  121    HB3  ASN  15           2HB      ASN  15   4.996   7.405   0.696
  122   HD21  ASN  15          1HD2      ASN  15   7.090   6.572   0.887
  123   HD22  ASN  15          2HD2      ASN  15   8.092   6.318  -0.499
  124    H    ASN  16           H        ASN  16   1.942   6.574  -0.487
  125    HA   ASN  16           HA       ASN  16   0.731   6.393   2.201
  126    HB2  ASN  16           1HB      ASN  16   0.208   8.461   0.049
  127    HB3  ASN  16           2HB      ASN  16  -0.550   8.411   1.636
  128   HD21  ASN  16          1HD2      ASN  16   2.454   8.895  -0.079
  129   HD22  ASN  16          2HD2      ASN  16   3.241   9.806   1.164
  130    H    CYS  17           H        CYS  17  -1.271   5.453   2.335
  131    HA   CYS  17           HA       CYS  17  -2.112   3.836   0.153
  132    HB2  CYS  17           1HB      CYS  17  -3.660   4.457   2.675
  133    HB3  CYS  17           2HB      CYS  17  -3.859   3.061   1.625
  134    HG   CYS  17           HG       CYS  17  -1.044   2.339   2.229
  135    H    GLY  18           H        GLY  18  -3.719   4.090  -1.282
  136    HA2  GLY  18           1HA      GLY  18  -4.726   6.806  -1.612
  137    HA3  GLY  18           2HA      GLY  18  -4.816   5.504  -2.788
  138    H    LYS  19           H        LYS  19  -7.029   6.140  -3.123
  139    HA   LYS  19           HA       LYS  19  -8.941   6.190  -1.076
  140    HB2  LYS  19           1HB      LYS  19 -10.621   6.025  -2.875
  141    HB3  LYS  19           2HB      LYS  19  -9.398   7.237  -3.204
  142    HG2  LYS  19           1HG      LYS  19  -9.569   6.262  -5.256
  143    HG3  LYS  19           2HG      LYS  19  -8.280   5.282  -4.562
  144    HD2  LYS  19           1HD      LYS  19  -9.896   3.554  -3.961
  145    HD3  LYS  19           2HD      LYS  19 -11.208   4.549  -4.602
  146    HE2  LYS  19           1HE      LYS  19 -10.167   4.444  -6.829
  147    HE3  LYS  19           2HE      LYS  19  -8.902   3.407  -6.174
  148    HZ1  LYS  19           3HZ      LYS  19 -11.797   2.782  -6.346
  149    HZ2  LYS  19           1HZ      LYS  19 -10.659   1.809  -5.560
  150    HZ3  LYS  19           2HZ      LYS  19 -10.548   2.059  -7.227
  151    H    ASN  20           H        ASN  20 -10.077   4.705  -0.064
  152    HA   ASN  20           HA       ASN  20 -10.708   2.682   0.752
  153    HB2  ASN  20           1HB      ASN  20 -10.919   2.115  -2.209
  154    HB3  ASN  20           2HB      ASN  20 -11.539   1.044  -0.958
  155   HD21  ASN  20          1HD2      ASN  20 -13.331   1.664   0.237
  156   HD22  ASN  20          2HD2      ASN  20 -14.375   2.945  -0.274
  157    H    GLU  21           H        GLU  21  -8.088   2.859   1.053
  158    HA   GLU  21           HA       GLU  21  -7.157   0.172   0.344
  159    HB2  GLU  21           1HB      GLU  21  -5.669   2.766   0.019
  160    HB3  GLU  21           2HB      GLU  21  -4.808   1.247   0.218
  161    HG2  GLU  21           1HG      GLU  21  -5.931   0.356  -1.752
  162    HG3  GLU  21           2HG      GLU  21  -6.795   1.876  -1.952
  163    H    GLU  22           H        GLU  22  -5.441  -0.633   1.705
  164    HA   GLU  22           HA       GLU  22  -5.124   0.721   4.276
  165    HB2  GLU  22           1HB      GLU  22  -5.729  -1.199   5.568
  166    HB3  GLU  22           2HB      GLU  22  -7.052  -0.875   4.458
  167    HG2  GLU  22           1HG      GLU  22  -6.253  -2.656   2.988
  168    HG3  GLU  22           2HG      GLU  22  -4.927  -2.974   4.104
  169    H    LEU  23           H        LEU  23  -3.364  -0.158   5.543
  170    HA   LEU  23           HA       LEU  23  -1.124  -0.901   3.884
  171    HB2  LEU  23           1HB      LEU  23  -1.284   0.639   6.044
  172    HB3  LEU  23           2HB      LEU  23  -1.016  -0.875   6.860
  173    HG   LEU  23           HG       LEU  23   0.856   0.268   4.796
  174   HD11  LEU  23          1HD1      LEU  23   0.947   0.402   7.808
  175   HD12  LEU  23          2HD1      LEU  23   0.772   1.760   6.696
  176   HD13  LEU  23          3HD1      LEU  23   2.275   0.841   6.736
  177   HD21  LEU  23          3HD2      LEU  23   0.982  -2.140   5.065
  178   HD22  LEU  23          1HD2      LEU  23   1.145  -1.945   6.808
  179   HD23  LEU  23          2HD2      LEU  23   2.415  -1.358   5.734
  180    H    ILE  24           H        ILE  24  -0.602  -2.922   3.446
  181    HA   ILE  24           HA       ILE  24  -1.747  -5.066   5.103
  182    HB   ILE  24           HB       ILE  24  -2.171  -6.315   3.246
  183   HG12  ILE  24          1HG1      ILE  24  -0.169  -4.996   1.463
  184   HG13  ILE  24          2HG1      ILE  24   0.424  -6.101   2.699
  185   HG21  ILE  24          1HG2      ILE  24  -1.964  -3.539   2.102
  186   HG22  ILE  24          2HG2      ILE  24  -3.367  -4.262   2.890
  187   HG23  ILE  24          3HG2      ILE  24  -2.802  -4.887   1.339
  188   HD11  ILE  24          3HD1      ILE  24   0.147  -7.315   0.695
  189   HD12  ILE  24          1HD1      ILE  24  -1.495  -6.702   0.484
  190   HD13  ILE  24          2HD1      ILE  24  -1.129  -7.802   1.811
  191    H    ALA  25           H        ALA  25   1.215  -3.882   3.623
  192    HA   ALA  25           HA       ALA  25   2.822  -5.573   5.335
  193    HB1  ALA  25           3HB      ALA  25   3.991  -6.732   3.565
  194    HB2  ALA  25           1HB      ALA  25   3.019  -5.917   2.341
  195    HB3  ALA  25           2HB      ALA  25   2.265  -7.072   3.439
  196    H    LEU  26           H        LEU  26   5.166  -5.187   4.926
  197    HA   LEU  26           HA       LEU  26   5.540  -2.342   4.298
  198    HB2  LEU  26           1HB      LEU  26   6.893  -4.195   6.235
  199    HB3  LEU  26           2HB      LEU  26   7.576  -2.633   5.815
  200    HG   LEU  26           HG       LEU  26   4.890  -3.092   7.126
  201   HD11  LEU  26          1HD1      LEU  26   6.776  -3.591   8.599
  202   HD12  LEU  26          2HD1      LEU  26   5.921  -2.136   9.109
  203   HD13  LEU  26          3HD1      LEU  26   7.462  -2.002   8.261
  204   HD21  LEU  26          3HD2      LEU  26   4.842  -1.100   5.747
  205   HD22  LEU  26          1HD2      LEU  26   6.355  -0.540   6.460
  206   HD23  LEU  26          2HD2      LEU  26   4.901  -0.648   7.449
  207    H    CYS  27           H        CYS  27   7.526  -1.706   3.304
  208    HA   CYS  27           HA       CYS  27   9.127  -3.782   2.035
  209    HB2  CYS  27           1HB      CYS  27   7.445  -1.767   0.558
  210    HB3  CYS  27           2HB      CYS  27   8.853  -2.509  -0.187
  211    HG   CYS  27           HG       CYS  27   6.628  -4.635   1.179
  212    H    GLN  28           H        GLN  28  10.882  -2.620   0.613
  213    HA   GLN  28           HA       GLN  28  12.333  -0.879   2.334
  214    HB2  GLN  28           1HB      GLN  28  12.849  -1.542  -0.557
  215    HB3  GLN  28           2HB      GLN  28  13.989  -0.789   0.537
  216    HG2  GLN  28           1HG      GLN  28  12.851  -3.548   0.884
  217    HG3  GLN  28           2HG      GLN  28  14.416  -3.186   0.166
  218   HE21  GLN  28          1HE2      GLN  28  14.962  -1.005   2.027
  219   HE22  GLN  28          2HE2      GLN  28  15.349  -1.749   3.540
  220    H    LYS  29           H        LYS  29  13.358   1.150   1.376
  221    HA   LYS  29           HA       LYS  29  13.189   3.302   0.656
  222    HB2  LYS  29           1HB      LYS  29  11.059   2.199  -1.170
  223    HB3  LYS  29           2HB      LYS  29  11.797   3.785  -1.319
  224    HG2  LYS  29           1HG      LYS  29  13.936   2.772  -1.817
  225    HG3  LYS  29           2HG      LYS  29  13.261   1.163  -1.557
  226    HD2  LYS  29           1HD      LYS  29  12.399   3.119  -3.691
  227    HD3  LYS  29           2HD      LYS  29  13.413   1.697  -3.944
  228    HE2  LYS  29           1HE      LYS  29  11.562   0.266  -3.179
  229    HE3  LYS  29           2HE      LYS  29  10.553   1.696  -2.973
  230    HZ1  LYS  29           3HZ      LYS  29  11.718   0.773  -5.544
  231    HZ2  LYS  29           1HZ      LYS  29  10.731   2.131  -5.335
  232    HZ3  LYS  29           2HZ      LYS  29  10.107   0.584  -5.069
  233    H    SER  30           H        SER  30  11.168   1.919   2.570
  234    HA   SER  30           HA       SER  30   9.569   2.565   4.026
  235    HB2  SER  30           1HB      SER  30  10.800   4.795   3.942
  236    HB3  SER  30           2HB      SER  30   9.585   5.318   2.780
  237    HG   SER  30           HG       SER  30   8.949   4.299   5.354
  238    H    LEU  31           H        LEU  31   9.094   1.715   1.135
  239    HA   LEU  31           HA       LEU  31   6.434   2.699   0.613
  240    HB2  LEU  31           1HB      LEU  31   8.176   0.573  -0.613
  241    HB3  LEU  31           2HB      LEU  31   6.495   0.714  -1.049
  242    HG   LEU  31           HG       LEU  31   8.249   1.818  -2.562
  243   HD11  LEU  31          1HD1      LEU  31   6.747   3.612  -3.148
  244   HD12  LEU  31          2HD1      LEU  31   5.961   3.508  -1.573
  245   HD13  LEU  31          3HD1      LEU  31   5.817   2.174  -2.723
  246   HD21  LEU  31          3HD2      LEU  31   9.439   2.956  -0.684
  247   HD22  LEU  31          1HD2      LEU  31   8.051   4.028  -0.544
  248   HD23  LEU  31          2HD2      LEU  31   8.997   4.001  -2.033
  249    H    LYS  32           H        LYS  32   4.508   1.578   0.921
  250    HA   LYS  32           HA       LYS  32   4.700  -0.902   2.509
  251    HB2  LYS  32           1HB      LYS  32   2.583   1.243   2.796
  252    HB3  LYS  32           2HB      LYS  32   2.663  -0.257   3.702
  253    HG2  LYS  32           1HG      LYS  32   3.520   1.214   5.220
  254    HG3  LYS  32           2HG      LYS  32   4.998   0.659   4.435
  255    HD2  LYS  32           1HD      LYS  32   5.023   2.625   3.020
  256    HD3  LYS  32           2HD      LYS  32   3.491   3.168   3.707
  257    HE2  LYS  32           1HE      LYS  32   4.527   3.409   5.887
  258    HE3  LYS  32           2HE      LYS  32   6.052   2.790   5.252
  259    HZ1  LYS  32           3HZ      LYS  32   6.036   5.208   5.396
  260    HZ2  LYS  32           1HZ      LYS  32   4.707   5.279   4.352
  261    HZ3  LYS  32           2HZ      LYS  32   6.195   4.694   3.792
  262    H    CYS  33           H        CYS  33   3.332  -2.550   1.935
  263    HA   CYS  33           HA       CYS  33   2.176  -2.424  -0.675
  264    HB2  CYS  33           1HB      CYS  33   1.948  -4.539   1.472
  265    HB3  CYS  33           2HB      CYS  33   1.470  -4.731  -0.206
  266    HG   CYS  33           HG       CYS  33   4.206  -4.197  -1.061
  267    H    CYS  34           H        CYS  34   0.329  -1.422  -1.044
  268    HA   CYS  34           HA       CYS  34  -1.722  -1.471   1.062
  269    HB2  CYS  34           1HB      CYS  34  -1.349   0.565  -1.145
  270    HB3  CYS  34           2HB      CYS  34  -2.560   0.626   0.132
  271    HG   CYS  34           HG       CYS  34   0.802   0.706   0.756
  272    H    ARG  35           H        ARG  35  -3.602  -2.396   0.621
  273    HA   ARG  35           HA       ARG  35  -4.027  -3.329  -2.136
  274    HB2  ARG  35           1HB      ARG  35  -5.380  -5.109  -1.252
  275    HB3  ARG  35           2HB      ARG  35  -3.871  -5.080  -0.359
  276    HG2  ARG  35           1HG      ARG  35  -5.183  -3.669   1.364
  277    HG3  ARG  35           2HG      ARG  35  -6.613  -4.299   0.544
  278    HD2  ARG  35           1HD      ARG  35  -5.633  -6.612   0.915
  279    HD3  ARG  35           2HD      ARG  35  -4.451  -5.846   1.956
  280    HE   ARG  35           HE       ARG  35  -6.933  -5.013   2.858
  281   HH11  ARG  35          1HH1      ARG  35  -5.210  -8.043   2.518
  282   HH12  ARG  35          2HH1      ARG  35  -5.964  -8.770   3.895
  283   HH21  ARG  35          1HH2      ARG  35  -7.905  -5.947   4.673
  284   HH22  ARG  35          2HH2      ARG  35  -7.498  -7.574   5.134
  285    H    THR  36           H        THR  36  -5.787  -2.745  -3.245
  286    HA   THR  36           HA       THR  36  -7.455  -0.665  -2.103
  287    HB   THR  36           HB       THR  36  -7.676  -1.777  -4.897
  288    HG1  THR  36           HG1      THR  36  -5.902   0.247  -3.916
  289   HG21  THR  36          1HG2      THR  36  -8.524   0.446  -5.416
  290   HG22  THR  36          2HG2      THR  36  -8.237   0.969  -3.758
  291   HG23  THR  36          3HG2      THR  36  -9.455  -0.258  -4.097
  292    H    ILE  37           H        ILE  37  -9.280  -1.078  -1.164
  293    HA   ILE  37           HA       ILE  37 -10.233  -3.688  -0.792
  294    HB   ILE  37           HB       ILE  37 -11.627  -1.072  -0.239
  295   HG12  ILE  37          1HG1      ILE  37  -9.480  -1.048   0.816
  296   HG13  ILE  37          2HG1      ILE  37 -10.652  -1.442   2.059
  297   HG21  ILE  37          1HG2      ILE  37 -12.040  -3.806   0.957
  298   HG22  ILE  37          2HG2      ILE  37 -13.143  -2.982  -0.143
  299   HG23  ILE  37          3HG2      ILE  37 -12.849  -2.325   1.467
  300   HD11  ILE  37          3HD1      ILE  37  -8.828  -3.366   0.650
  301   HD12  ILE  37          1HD1      ILE  37 -10.060  -3.819   1.824
  302   HD13  ILE  37          2HD1      ILE  37  -8.700  -2.813   2.320
  303    H    GLN  38           H        GLN  38 -10.793  -4.716  -2.579
  304    HA   GLN  38           HA       GLN  38 -12.902  -3.808  -4.324
  305    HB2  GLN  38           1HB      GLN  38 -11.442  -6.439  -3.974
  306    HB3  GLN  38           2HB      GLN  38 -12.708  -6.210  -5.163
  307    HG2  GLN  38           1HG      GLN  38 -11.396  -4.464  -6.239
  308    HG3  GLN  38           2HG      GLN  38 -10.129  -4.671  -5.033
  309   HE21  GLN  38          1HE2      GLN  38 -10.103  -4.979  -7.957
  310   HE22  GLN  38          2HE2      GLN  38  -9.514  -6.577  -8.249
  311    HA   PRO  39           HA       PRO  39 -16.662  -5.522  -2.424
  312    HB2  PRO  39           1HB      PRO  39 -16.129  -8.025  -4.003
  313    HB3  PRO  39           2HB      PRO  39 -17.673  -7.237  -3.655
  314    HG2  PRO  39           1HG      PRO  39 -16.485  -6.847  -5.994
  315    HG3  PRO  39           2HG      PRO  39 -17.276  -5.501  -5.155
  316    HD2  PRO  39           1HD      PRO  39 -14.403  -6.040  -5.555
  317    HD3  PRO  39           2HD      PRO  39 -15.226  -4.499  -5.274
  318    H    SER  40           H        SER  40 -17.209  -6.795  -0.654
  319    HA   SER  40           HA       SER  40 -15.092  -7.251   1.074
  320    HB2  SER  40           1HB      SER  40 -17.372  -6.664   1.796
  321    HB3  SER  40           2HB      SER  40 -17.924  -8.274   1.336
  322    HG   SER  40           HG       SER  40 -15.747  -8.254   3.027
  323    H    GLY  41           H        GLY  41 -16.497  -9.457  -1.174
  324    HA2  GLY  41           1HA      GLY  41 -15.525 -11.824   0.149
  325    HA3  GLY  41           2HA      GLY  41 -16.163 -11.733  -1.487
  326    H    SER  42           H        SER  42 -13.489 -12.403   0.250
  327    HA   SER  42           HA       SER  42 -11.332 -12.842  -0.280
  328    HB2  SER  42           1HB      SER  42 -12.037 -11.903  -3.070
  329    HB3  SER  42           2HB      SER  42 -10.577 -12.777  -2.608
  330    HG   SER  42           HG       SER  42 -12.674 -14.141  -1.704
  331    H    ILE  43           H        ILE  43  -9.264 -11.728  -0.899
  332    HA   ILE  43           HA       ILE  43  -7.810 -10.000  -0.749
  333    HB   ILE  43           HB       ILE  43 -10.170  -8.255  -1.460
  334   HG12  ILE  43          1HG1      ILE  43  -9.565  -9.888  -3.203
  335   HG13  ILE  43          2HG1      ILE  43  -9.209  -8.240  -3.710
  336   HG21  ILE  43          1HG2      ILE  43  -8.453  -6.964  -0.313
  337   HG22  ILE  43          2HG2      ILE  43  -8.512  -6.539  -2.023
  338   HG23  ILE  43          3HG2      ILE  43  -7.229  -7.586  -1.418
  339   HD11  ILE  43          3HD1      ILE  43  -7.227 -10.273  -2.717
  340   HD12  ILE  43          1HD1      ILE  43  -6.847  -8.605  -3.141
  341   HD13  ILE  43          2HD1      ILE  43  -7.432  -9.718  -4.376
  342    H    ILE  44           H        ILE  44 -10.731  -8.389   0.474
  343    HA   ILE  44           HA       ILE  44  -9.282  -7.793   2.951
  344    HB   ILE  44           HB       ILE  44 -10.150  -5.821   1.954
  345   HG12  ILE  44          1HG1      ILE  44 -12.009  -6.672   4.184
  346   HG13  ILE  44          2HG1      ILE  44 -10.448  -5.881   4.368
  347   HG21  ILE  44          1HG2      ILE  44 -11.695  -6.599   0.377
  348   HG22  ILE  44          2HG2      ILE  44 -12.631  -5.593   1.484
  349   HG23  ILE  44          3HG2      ILE  44 -12.708  -7.350   1.613
  350   HD11  ILE  44          3HD1      ILE  44 -12.287  -4.328   4.705
  351   HD12  ILE  44          1HD1      ILE  44 -12.888  -4.677   3.085
  352   HD13  ILE  44          2HD1      ILE  44 -11.330  -3.876   3.293
  353    H    ASP  45           H        ASP  45 -10.200  -8.254   4.980
  354    HA   ASP  45           HA       ASP  45 -11.302  -9.467   6.538
  355    HB2  ASP  45           1HB      ASP  45 -13.386  -8.566   5.606
  356    HB3  ASP  45           2HB      ASP  45 -13.413  -9.849   4.400
  Start of MODEL    7
    1    H    PHE   1           1H       PHE   1   7.327 -13.336   0.952
    2    HA   PHE   1           HA       PHE   1   5.537 -14.875   1.276
    3    HB2  PHE   1           1HB      PHE   1   6.173 -15.768   3.443
    4    HB3  PHE   1           2HB      PHE   1   5.915 -14.202   4.200
    5    HD1  PHE   1           HD2      PHE   1   4.011 -16.601   2.064
    6    HD2  PHE   1           HD1      PHE   1   3.982 -13.952   5.393
    7    HE1  PHE   1           HE2      PHE   1   1.671 -17.209   2.520
    8    HE2  PHE   1           HE1      PHE   1   1.642 -14.555   5.856
    9    HZ   PHE   1           HZ       PHE   1   0.485 -16.184   4.421
   10    H    PHE   2           H        PHE   2   6.049 -11.860   3.087
   11    HA   PHE   2           HA       PHE   2   3.410 -10.992   3.135
   12    HB2  PHE   2           1HB      PHE   2   5.960  -9.380   3.072
   13    HB3  PHE   2           2HB      PHE   2   4.372  -8.690   3.383
   14    HD1  PHE   2           HD1      PHE   2   3.026  -9.918   5.305
   15    HD2  PHE   2           HD2      PHE   2   7.258  -9.961   4.870
   16    HE1  PHE   2           HE1      PHE   2   3.261 -10.438   7.698
   17    HE2  PHE   2           HE2      PHE   2   7.503 -10.486   7.260
   18    HZ   PHE   2           HZ       PHE   2   5.501 -10.726   8.678
   19    H    ASP   3           H        ASP   3   5.861 -10.531   0.591
   20    HA   ASP   3           HA       ASP   3   3.851  -9.063  -0.915
   21    HB2  ASP   3           1HB      ASP   3   5.559  -8.424  -2.471
   22    HB3  ASP   3           2HB      ASP   3   6.099  -8.092  -0.836
   23    H    GLU   4           H        GLU   4   4.537 -12.208  -0.530
   24    HA   GLU   4           HA       GLU   4   3.904 -13.065  -3.202
   25    HB2  GLU   4           1HB      GLU   4   3.448 -14.474  -0.551
   26    HB3  GLU   4           2HB      GLU   4   3.211 -15.204  -2.131
   27    HG2  GLU   4           1HG      GLU   4   5.789 -14.317  -0.882
   28    HG3  GLU   4           2HG      GLU   4   5.295 -15.955  -1.300
   29    H    LYS   5           H        LYS   5   2.219 -12.328  -0.228
   30    HA   LYS   5           HA       LYS   5  -0.418 -12.545  -1.149
   31    HB2  LYS   5           1HB      LYS   5   0.268 -12.306   1.236
   32    HB3  LYS   5           2HB      LYS   5   0.695 -10.635   0.912
   33    HG2  LYS   5           1HG      LYS   5  -1.451 -10.702   1.968
   34    HG3  LYS   5           2HG      LYS   5  -1.661 -10.199   0.289
   35    HD2  LYS   5           1HD      LYS   5  -2.312 -12.472  -0.318
   36    HD3  LYS   5           2HD      LYS   5  -2.082 -12.991   1.352
   37    HE2  LYS   5           1HE      LYS   5  -3.830 -11.415   2.064
   38    HE3  LYS   5           2HE      LYS   5  -4.077 -10.950   0.381
   39    HZ1  LYS   5           3HZ      LYS   5  -4.695 -13.246  -0.106
   40    HZ2  LYS   5           1HZ      LYS   5  -5.713 -12.566   1.061
   41    HZ3  LYS   5           2HZ      LYS   5  -4.506 -13.656   1.522
   42    H    CYS   6           H        CYS   6   1.881  -9.841  -1.108
   43    HA   CYS   6           HA       CYS   6   0.267  -7.827  -2.121
   44    HB2  CYS   6           1HB      CYS   6   2.585  -7.510  -1.268
   45    HB3  CYS   6           2HB      CYS   6   3.205  -8.292  -2.718
   46    HG   CYS   6           HG       CYS   6   2.478  -6.307  -4.463
   47    H    ASN   7           H        ASN   7   2.084 -10.321  -3.830
   48    HA   ASN   7           HA       ASN   7   1.667  -9.387  -6.449
   49    HB2  ASN   7           1HB      ASN   7   3.378 -11.046  -5.826
   50    HB3  ASN   7           2HB      ASN   7   2.116 -12.216  -5.485
   51   HD21  ASN   7          1HD2      ASN   7   2.958 -13.637  -6.997
   52   HD22  ASN   7          2HD2      ASN   7   2.775 -13.385  -8.699
   53    H    LYS   8           H        LYS   8   0.017 -12.000  -4.684
   54    HA   LYS   8           HA       LYS   8  -1.832 -12.521  -6.744
   55    HB2  LYS   8           1HB      LYS   8  -1.912 -13.214  -3.809
   56    HB3  LYS   8           2HB      LYS   8  -2.922 -13.921  -5.049
   57    HG2  LYS   8           1HG      LYS   8   0.066 -14.142  -4.861
   58    HG3  LYS   8           2HG      LYS   8  -1.107 -15.413  -4.514
   59    HD2  LYS   8           1HD      LYS   8  -1.854 -15.358  -6.844
   60    HD3  LYS   8           2HD      LYS   8  -0.684 -14.084  -7.190
   61    HE2  LYS   8           1HE      LYS   8   1.132 -15.616  -6.557
   62    HE3  LYS   8           2HE      LYS   8  -0.055 -16.890  -6.285
   63    HZ1  LYS   8           3HZ      LYS   8   0.393 -15.516  -8.879
   64    HZ2  LYS   8           1HZ      LYS   8  -0.662 -16.809  -8.597
   65    HZ3  LYS   8           2HZ      LYS   8   1.009 -17.036  -8.469
   66    H    LEU   9           H        LEU   9  -1.938 -10.472  -3.892
   67    HA   LEU   9           HA       LEU   9  -4.752  -9.933  -4.146
   68    HB2  LEU   9           1HB      LEU   9  -3.735 -10.104  -1.988
   69    HB3  LEU   9           2HB      LEU   9  -2.542  -8.895  -2.398
   70    HG   LEU   9           HG       LEU   9  -4.403  -7.218  -2.501
   71   HD11  LEU   9          1HD1      LEU   9  -6.494  -7.784  -1.380
   72   HD12  LEU   9          2HD1      LEU   9  -5.964  -9.458  -1.218
   73   HD13  LEU   9          3HD1      LEU   9  -6.262  -8.779  -2.817
   74   HD21  LEU   9          3HD2      LEU   9  -2.839  -7.576  -0.625
   75   HD22  LEU   9          1HD2      LEU   9  -4.021  -8.652   0.112
   76   HD23  LEU   9          2HD2      LEU   9  -4.410  -6.946  -0.120
   77    H    LYS  10           H        LYS  10  -1.984  -8.796  -5.653
   78    HA   LYS  10           HA       LYS  10  -1.610  -7.164  -7.181
   79    HB2  LYS  10           1HB      LYS  10  -4.552  -6.569  -6.869
   80    HB3  LYS  10           2HB      LYS  10  -3.505  -5.868  -8.095
   81    HG2  LYS  10           1HG      LYS  10  -3.025  -8.233  -8.847
   82    HG3  LYS  10           2HG      LYS  10  -4.361  -8.728  -7.804
   83    HD2  LYS  10           1HD      LYS  10  -5.849  -7.196  -9.025
   84    HD3  LYS  10           2HD      LYS  10  -4.503  -6.771 -10.084
   85    HE2  LYS  10           1HE      LYS  10  -5.705  -9.519  -9.765
   86    HE3  LYS  10           2HE      LYS  10  -5.972  -8.430 -11.122
   87    HZ1  LYS  10           3HZ      LYS  10  -3.363  -9.614 -10.340
   88    HZ2  LYS  10           1HZ      LYS  10  -3.615  -8.565 -11.642
   89    HZ3  LYS  10           2HZ      LYS  10  -4.318 -10.102 -11.644
   90    H    GLY  11           H        GLY  11  -1.224  -6.740  -4.386
   91    HA2  GLY  11           1HA      GLY  11  -1.976  -4.052  -3.731
   92    HA3  GLY  11           2HA      GLY  11  -0.815  -5.052  -2.866
   93    H    THR  12           H        THR  12  -0.483  -2.287  -3.438
   94    HA   THR  12           HA       THR  12   1.842  -2.443  -5.242
   95    HB   THR  12           HB       THR  12   0.244   0.072  -4.901
   96    HG1  THR  12           HG1      THR  12  -0.653  -2.156  -6.029
   97   HG21  THR  12          1HG2      THR  12   2.035  -0.931  -7.115
   98   HG22  THR  12          2HG2      THR  12   2.480   0.256  -5.887
   99   HG23  THR  12          3HG2      THR  12   1.228   0.637  -7.071
  100    H    CYS  13           H        CYS  13   3.673  -1.384  -4.582
  101    HA   CYS  13           HA       CYS  13   3.797  -0.747  -1.760
  102    HB2  CYS  13           1HB      CYS  13   6.122  -0.431  -3.634
  103    HB3  CYS  13           2HB      CYS  13   6.116  -0.899  -1.942
  104    HG   CYS  13           HG       CYS  13   5.799  -3.470  -2.247
  105    H    LYS  14           H        LYS  14   2.992   1.175  -1.269
  106    HA   LYS  14           HA       LYS  14   4.032   3.527  -2.687
  107    HB2  LYS  14           1HB      LYS  14   1.777   4.580  -2.458
  108    HB3  LYS  14           2HB      LYS  14   1.806   3.209  -3.560
  109    HG2  LYS  14           1HG      LYS  14   0.890   1.781  -1.792
  110    HG3  LYS  14           2HG      LYS  14   0.835   3.172  -0.710
  111    HD2  LYS  14           1HD      LYS  14  -1.360   2.785  -1.630
  112    HD3  LYS  14           2HD      LYS  14  -0.709   4.288  -2.285
  113    HE2  LYS  14           1HE      LYS  14  -0.237   1.797  -3.825
  114    HE3  LYS  14           2HE      LYS  14  -1.875   2.442  -3.810
  115    HZ1  LYS  14           3HZ      LYS  14  -1.078   4.505  -4.684
  116    HZ2  LYS  14           1HZ      LYS  14  -0.506   3.260  -5.671
  117    HZ3  LYS  14           2HZ      LYS  14   0.530   4.008  -4.566
  118    H    ASN  15           H        ASN  15   3.706   5.544  -1.337
  119    HA   ASN  15           HA       ASN  15   4.496   4.941   1.369
  120    HB2  ASN  15           1HB      ASN  15   4.314   7.475  -0.240
  121    HB3  ASN  15           2HB      ASN  15   4.625   7.508   1.485
  122   HD21  ASN  15          1HD2      ASN  15   6.584   6.716   2.273
  123   HD22  ASN  15          2HD2      ASN  15   7.942   6.440   1.236
  124    H    ASN  16           H        ASN  16   1.826   6.569  -0.274
  125    HA   ASN  16           HA       ASN  16   0.322   6.561   2.269
  126    HB2  ASN  16           1HB      ASN  16  -0.067   8.430  -0.080
  127    HB3  ASN  16           2HB      ASN  16  -0.861   8.526   1.488
  128   HD21  ASN  16          1HD2      ASN  16   2.140   8.919  -0.231
  129   HD22  ASN  16          2HD2      ASN  16   2.911   9.933   0.945
  130    H    CYS  17           H        CYS  17  -1.636   5.554   2.264
  131    HA   CYS  17           HA       CYS  17  -2.318   3.889   0.053
  132    HB2  CYS  17           1HB      CYS  17  -4.063   4.547   2.429
  133    HB3  CYS  17           2HB      CYS  17  -4.145   3.122   1.406
  134    HG   CYS  17           HG       CYS  17  -1.368   2.493   2.286
  135    H    GLY  18           H        GLY  18  -3.948   4.075  -1.423
  136    HA2  GLY  18           1HA      GLY  18  -4.995   6.777  -1.810
  137    HA3  GLY  18           2HA      GLY  18  -5.000   5.475  -2.992
  138    H    LYS  19           H        LYS  19  -7.211   6.024  -3.389
  139    HA   LYS  19           HA       LYS  19  -9.252   6.031  -1.521
  140    HB2  LYS  19           1HB      LYS  19 -10.737   5.404  -3.471
  141    HB3  LYS  19           2HB      LYS  19  -9.740   6.832  -3.692
  142    HG2  LYS  19           1HG      LYS  19  -9.406   5.834  -5.701
  143    HG3  LYS  19           2HG      LYS  19  -8.098   5.075  -4.798
  144    HD2  LYS  19           1HD      LYS  19  -9.608   3.147  -4.351
  145    HD3  LYS  19           2HD      LYS  19 -10.811   3.903  -5.400
  146    HE2  LYS  19           1HE      LYS  19  -8.034   3.046  -6.208
  147    HE3  LYS  19           2HE      LYS  19  -9.530   2.200  -6.596
  148    HZ1  LYS  19           3HZ      LYS  19  -8.809   4.939  -7.493
  149    HZ2  LYS  19           1HZ      LYS  19 -10.249   4.132  -7.860
  150    HZ3  LYS  19           2HZ      LYS  19  -8.778   3.546  -8.448
  151    H    ASN  20           H        ASN  20 -10.100   4.569  -0.264
  152    HA   ASN  20           HA       ASN  20 -10.707   2.596   0.679
  153    HB2  ASN  20           1HB      ASN  20 -10.903   1.806  -2.232
  154    HB3  ASN  20           2HB      ASN  20 -11.477   0.802  -0.907
  155   HD21  ASN  20          1HD2      ASN  20 -13.334   1.368   0.181
  156   HD22  ASN  20          2HD2      ASN  20 -14.413   2.592  -0.395
  157    H    GLU  21           H        GLU  21  -7.927   2.988   0.599
  158    HA   GLU  21           HA       GLU  21  -7.030   0.202   0.266
  159    HB2  GLU  21           1HB      GLU  21  -5.502   2.758  -0.230
  160    HB3  GLU  21           2HB      GLU  21  -4.715   1.194  -0.075
  161    HG2  GLU  21           1HG      GLU  21  -6.146   0.394  -1.966
  162    HG3  GLU  21           2HG      GLU  21  -6.685   2.058  -2.175
  163    H    GLU  22           H        GLU  22  -5.207  -0.418   1.656
  164    HA   GLU  22           HA       GLU  22  -4.792   1.211   4.029
  165    HB2  GLU  22           1HB      GLU  22  -5.482  -0.397   5.620
  166    HB3  GLU  22           2HB      GLU  22  -6.796  -0.290   4.459
  167    HG2  GLU  22           1HG      GLU  22  -5.975  -2.325   3.365
  168    HG3  GLU  22           2HG      GLU  22  -4.693  -2.437   4.569
  169    H    LEU  23           H        LEU  23  -3.061   0.374   5.388
  170    HA   LEU  23           HA       LEU  23  -0.867  -0.636   3.840
  171    HB2  LEU  23           1HB      LEU  23  -1.009   1.022   5.928
  172    HB3  LEU  23           2HB      LEU  23  -0.797  -0.461   6.814
  173    HG   LEU  23           HG       LEU  23   1.131   0.551   4.728
  174   HD11  LEU  23          1HD1      LEU  23   2.543   1.138   6.662
  175   HD12  LEU  23          2HD1      LEU  23   1.198   0.758   7.736
  176   HD13  LEU  23          3HD1      LEU  23   1.062   2.093   6.591
  177   HD21  LEU  23          3HD2      LEU  23   2.624  -1.102   5.707
  178   HD22  LEU  23          1HD2      LEU  23   1.163  -1.858   5.072
  179   HD23  LEU  23          2HD2      LEU  23   1.342  -1.610   6.806
  180    H    ILE  24           H        ILE  24  -0.407  -2.727   3.560
  181    HA   ILE  24           HA       ILE  24  -1.660  -4.691   5.363
  182    HB   ILE  24           HB       ILE  24  -2.171  -6.035   3.613
  183   HG12  ILE  24          1HG1      ILE  24  -0.051  -5.052   1.754
  184   HG13  ILE  24          2HG1      ILE  24   0.443  -6.065   3.107
  185   HG21  ILE  24          1HG2      ILE  24  -2.666  -4.764   1.570
  186   HG22  ILE  24          2HG2      ILE  24  -1.719  -3.417   2.198
  187   HG23  ILE  24          3HG2      ILE  24  -3.186  -3.931   3.034
  188   HD11  ILE  24          3HD1      ILE  24  -1.153  -7.762   2.377
  189   HD12  ILE  24          1HD1      ILE  24   0.089  -7.413   1.174
  190   HD13  ILE  24          2HD1      ILE  24  -1.541  -6.762   0.977
  191    H    ALA  25           H        ALA  25   1.315  -3.731   3.782
  192    HA   ALA  25           HA       ALA  25   2.890  -5.332   5.604
  193    HB1  ALA  25           3HB      ALA  25   2.989  -5.903   2.636
  194    HB2  ALA  25           1HB      ALA  25   2.307  -6.973   3.860
  195    HB3  ALA  25           2HB      ALA  25   4.033  -6.608   3.870
  196    H    LEU  26           H        LEU  26   5.199  -4.963   5.272
  197    HA   LEU  26           HA       LEU  26   5.631  -2.225   4.330
  198    HB2  LEU  26           1HB      LEU  26   7.009  -3.967   6.339
  199    HB3  LEU  26           2HB      LEU  26   7.764  -2.498   5.737
  200    HG   LEU  26           HG       LEU  26   5.146  -2.676   7.240
  201   HD11  LEU  26          1HD1      LEU  26   6.348  -1.521   9.018
  202   HD12  LEU  26          2HD1      LEU  26   7.831  -1.580   8.064
  203   HD13  LEU  26          3HD1      LEU  26   7.096  -3.074   8.645
  204   HD21  LEU  26          3HD2      LEU  26   5.029  -0.853   5.666
  205   HD22  LEU  26          1HD2      LEU  26   6.631  -0.290   6.143
  206   HD23  LEU  26          2HD2      LEU  26   5.289  -0.197   7.280
  207    H    CYS  27           H        CYS  27   7.167  -1.739   2.846
  208    HA   CYS  27           HA       CYS  27   8.355  -4.049   1.452
  209    HB2  CYS  27           1HB      CYS  27   7.411  -1.412   0.306
  210    HB3  CYS  27           2HB      CYS  27   8.108  -2.734  -0.617
  211    HG   CYS  27           HG       CYS  27   6.005  -4.493  -0.168
  212    H    GLN  28           H        GLN  28  10.261  -3.308   0.011
  213    HA   GLN  28           HA       GLN  28  12.226  -2.076   1.649
  214    HB2  GLN  28           1HB      GLN  28  12.290  -2.714  -1.295
  215    HB3  GLN  28           2HB      GLN  28  13.667  -2.148  -0.378
  216    HG2  GLN  28           1HG      GLN  28  13.881  -4.496  -0.621
  217    HG3  GLN  28           2HG      GLN  28  13.467  -4.168   1.059
  218   HE21  GLN  28          1HE2      GLN  28  12.698  -6.255   1.362
  219   HE22  GLN  28          2HE2      GLN  28  11.196  -6.789   0.692
  220    H    LYS  29           H        LYS  29  13.614  -0.255   0.600
  221    HA   LYS  29           HA       LYS  29  13.773   2.000   0.273
  222    HB2  LYS  29           1HB      LYS  29  11.307   1.548  -1.397
  223    HB3  LYS  29           2HB      LYS  29  12.266   3.018  -1.404
  224    HG2  LYS  29           1HG      LYS  29  14.154   1.827  -2.311
  225    HG3  LYS  29           2HG      LYS  29  13.281   0.298  -2.198
  226    HD2  LYS  29           1HD      LYS  29  12.453   2.658  -3.887
  227    HD3  LYS  29           2HD      LYS  29  13.285   1.223  -4.484
  228    HE2  LYS  29           1HE      LYS  29  11.393  -0.161  -3.735
  229    HE3  LYS  29           2HE      LYS  29  10.559   1.293  -3.192
  230    HZ1  LYS  29           3HZ      LYS  29  11.334   0.665  -5.987
  231    HZ2  LYS  29           1HZ      LYS  29  10.585   2.096  -5.483
  232    HZ3  LYS  29           2HZ      LYS  29   9.768   0.622  -5.350
  233    H    SER  30           H        SER  30  11.898   0.727   2.282
  234    HA   SER  30           HA       SER  30  10.403   1.184   3.877
  235    HB2  SER  30           1HB      SER  30  10.337   3.434   4.843
  236    HB3  SER  30           2HB      SER  30  11.990   2.918   4.531
  237    HG   SER  30           HG       SER  30  11.440   4.134   2.386
  238    H    LEU  31           H        LEU  31   9.496   1.139   1.061
  239    HA   LEU  31           HA       LEU  31   7.112   2.751   1.061
  240    HB2  LEU  31           1HB      LEU  31   8.203   0.532  -0.644
  241    HB3  LEU  31           2HB      LEU  31   6.524   0.992  -0.792
  242    HG   LEU  31           HG       LEU  31   8.221   2.006  -2.424
  243   HD11  LEU  31          1HD1      LEU  31   6.345   3.796  -0.886
  244   HD12  LEU  31          2HD1      LEU  31   5.920   2.760  -2.250
  245   HD13  LEU  31          3HD1      LEU  31   7.002   4.132  -2.489
  246   HD21  LEU  31          3HD2      LEU  31   8.716   3.846  -0.100
  247   HD22  LEU  31          1HD2      LEU  31   9.346   4.016  -1.739
  248   HD23  LEU  31          2HD2      LEU  31   9.875   2.675  -0.724
  249    H    LYS  32           H        LYS  32   4.923   1.626   0.915
  250    HA   LYS  32           HA       LYS  32   4.846  -0.749   2.655
  251    HB2  LYS  32           1HB      LYS  32   2.833   1.503   2.760
  252    HB3  LYS  32           2HB      LYS  32   2.885   0.086   3.790
  253    HG2  LYS  32           1HG      LYS  32   3.768   1.665   5.183
  254    HG3  LYS  32           2HG      LYS  32   5.236   1.017   4.454
  255    HD2  LYS  32           1HD      LYS  32   5.314   2.853   2.875
  256    HD3  LYS  32           2HD      LYS  32   3.788   3.486   3.492
  257    HE2  LYS  32           1HE      LYS  32   6.317   3.200   5.107
  258    HE3  LYS  32           2HE      LYS  32   5.781   4.693   4.341
  259    HZ1  LYS  32           3HZ      LYS  32   4.419   3.209   6.520
  260    HZ2  LYS  32           1HZ      LYS  32   3.720   4.510   5.690
  261    HZ3  LYS  32           2HZ      LYS  32   5.121   4.744   6.604
  262    H    CYS  33           H        CYS  33   3.402  -2.317   2.088
  263    HA   CYS  33           HA       CYS  33   2.303  -2.144  -0.570
  264    HB2  CYS  33           1HB      CYS  33   3.307  -4.247   0.255
  265    HB3  CYS  33           2HB      CYS  33   2.073  -4.337   1.505
  266    HG   CYS  33           HG       CYS  33   1.842  -5.027  -1.788
  267    H    CYS  34           H        CYS  34   0.430  -1.169  -0.926
  268    HA   CYS  34           HA       CYS  34  -1.607  -1.280   1.190
  269    HB2  CYS  34           1HB      CYS  34  -1.290   0.724  -1.053
  270    HB3  CYS  34           2HB      CYS  34  -2.570   0.741   0.156
  271    HG   CYS  34           HG       CYS  34   0.748   1.021   0.948
  272    H    ARG  35           H        ARG  35  -3.574  -2.095   0.775
  273    HA   ARG  35           HA       ARG  35  -3.942  -3.296  -1.890
  274    HB2  ARG  35           1HB      ARG  35  -5.263  -5.020  -0.848
  275    HB3  ARG  35           2HB      ARG  35  -3.738  -4.894   0.010
  276    HG2  ARG  35           1HG      ARG  35  -4.990  -3.407   1.667
  277    HG3  ARG  35           2HG      ARG  35  -6.460  -3.994   0.892
  278    HD2  ARG  35           1HD      ARG  35  -5.632  -6.333   1.370
  279    HD3  ARG  35           2HD      ARG  35  -4.370  -5.601   2.346
  280    HE   ARG  35           HE       ARG  35  -6.732  -4.533   3.275
  281   HH11  ARG  35          1HH1      ARG  35  -5.322  -7.729   3.016
  282   HH12  ARG  35          2HH1      ARG  35  -6.175  -8.355   4.391
  283   HH21  ARG  35          1HH2      ARG  35  -7.846  -5.330   5.059
  284   HH22  ARG  35          2HH2      ARG  35  -7.653  -7.001   5.539
  285    H    THR  36           H        THR  36  -5.741  -2.903  -3.029
  286    HA   THR  36           HA       THR  36  -7.539  -0.831  -2.138
  287    HB   THR  36           HB       THR  36  -7.836  -2.452  -4.662
  288    HG1  THR  36           HG1      THR  36  -5.956  -0.422  -4.025
  289   HG21  THR  36          1HG2      THR  36  -9.660  -0.917  -4.086
  290   HG22  THR  36          2HG2      THR  36  -8.800  -0.366  -5.523
  291   HG23  THR  36          3HG2      THR  36  -8.510   0.415  -3.969
  292    H    ILE  37           H        ILE  37  -9.185  -1.258  -0.891
  293    HA   ILE  37           HA       ILE  37 -10.004  -3.854  -0.205
  294    HB   ILE  37           HB       ILE  37 -11.309  -1.188   0.312
  295   HG12  ILE  37          1HG1      ILE  37  -9.117  -1.116   1.183
  296   HG13  ILE  37          2HG1      ILE  37 -10.141  -1.512   2.549
  297   HG21  ILE  37          1HG2      ILE  37 -12.868  -3.041   0.676
  298   HG22  ILE  37          2HG2      ILE  37 -12.427  -2.245   2.185
  299   HG23  ILE  37          3HG2      ILE  37 -11.706  -3.793   1.765
  300   HD11  ILE  37          3HD1      ILE  37  -9.527  -3.876   2.300
  301   HD12  ILE  37          1HD1      ILE  37  -8.138  -2.835   2.612
  302   HD13  ILE  37          2HD1      ILE  37  -8.447  -3.428   0.981
  303    H    GLN  38           H        GLN  38 -10.934  -5.115  -1.680
  304    HA   GLN  38           HA       GLN  38 -13.291  -4.106  -3.111
  305    HB2  GLN  38           1HB      GLN  38 -11.607  -6.574  -3.571
  306    HB3  GLN  38           2HB      GLN  38 -13.055  -6.175  -4.484
  307    HG2  GLN  38           1HG      GLN  38 -11.985  -4.125  -5.278
  308    HG3  GLN  38           2HG      GLN  38 -10.530  -4.539  -4.373
  309   HE21  GLN  38          1HE2      GLN  38  -9.277  -4.594  -6.237
  310   HE22  GLN  38          2HE2      GLN  38  -9.395  -5.876  -7.389
  311    HA   PRO  39           HA       PRO  39 -15.803  -6.285  -0.163
  312    HB2  PRO  39           1HB      PRO  39 -17.893  -6.278  -2.234
  313    HB3  PRO  39           2HB      PRO  39 -17.892  -5.522  -0.640
  314    HG2  PRO  39           1HG      PRO  39 -17.711  -4.076  -2.893
  315    HG3  PRO  39           2HG      PRO  39 -16.875  -3.603  -1.403
  316    HD2  PRO  39           1HD      PRO  39 -15.781  -4.940  -3.848
  317    HD3  PRO  39           2HD      PRO  39 -15.066  -3.663  -2.843
  318    H    SER  40           H        SER  40 -15.642  -8.374   0.243
  319    HA   SER  40           HA       SER  40 -16.381 -10.315  -1.834
  320    HB2  SER  40           1HB      SER  40 -13.994 -10.604   0.015
  321    HB3  SER  40           2HB      SER  40 -14.486 -11.725  -1.257
  322    HG   SER  40           HG       SER  40 -14.268  -9.350  -2.375
  323    H    GLY  41           H        GLY  41 -15.604 -12.493   0.112
  324    HA2  GLY  41           1HA      GLY  41 -17.930 -12.732   1.659
  325    HA3  GLY  41           2HA      GLY  41 -16.417 -13.577   1.976
  326    H    SER  42           H        SER  42 -18.575 -11.716   3.479
  327    HA   SER  42           HA       SER  42 -18.607 -10.142   5.122
  328    HB2  SER  42           1HB      SER  42 -15.696 -10.901   5.506
  329    HB3  SER  42           2HB      SER  42 -16.736 -10.102   6.681
  330    HG   SER  42           HG       SER  42 -16.533 -12.758   6.021
  331    H    ILE  43           H        ILE  43 -16.186  -8.508   5.831
  332    HA   ILE  43           HA       ILE  43 -16.244  -6.668   3.629
  333    HB   ILE  43           HB       ILE  43 -14.249  -5.663   5.080
  334   HG12  ILE  43          1HG1      ILE  43 -15.904  -7.062   7.184
  335   HG13  ILE  43          2HG1      ILE  43 -14.380  -7.722   6.610
  336   HG21  ILE  43          1HG2      ILE  43 -16.323  -4.525   4.579
  337   HG22  ILE  43          2HG2      ILE  43 -15.940  -4.343   6.291
  338   HG23  ILE  43          3HG2      ILE  43 -17.177  -5.492   5.782
  339   HD11  ILE  43          3HD1      ILE  43 -13.225  -5.714   7.371
  340   HD12  ILE  43          1HD1      ILE  43 -14.110  -6.481   8.689
  341   HD13  ILE  43          2HD1      ILE  43 -14.758  -5.034   7.915
  342    H    ILE  44           H        ILE  44 -13.316  -7.780   5.281
  343    HA   ILE  44           HA       ILE  44 -12.139  -8.655   2.774
  344    HB   ILE  44           HB       ILE  44 -10.122  -7.194   3.310
  345   HG12  ILE  44          1HG1      ILE  44 -12.221  -5.773   4.954
  346   HG13  ILE  44          2HG1      ILE  44 -10.737  -6.503   5.550
  347   HG21  ILE  44          1HG2      ILE  44 -12.579  -5.692   2.467
  348   HG22  ILE  44          2HG2      ILE  44 -11.766  -6.876   1.441
  349   HG23  ILE  44          3HG2      ILE  44 -10.909  -5.425   1.956
  350   HD11  ILE  44          3HD1      ILE  44  -9.445  -4.841   4.272
  351   HD12  ILE  44          1HD1      ILE  44 -10.507  -4.114   5.475
  352   HD13  ILE  44          2HD1      ILE  44 -10.957  -4.081   3.770
  353    H    ASP  45           H        ASP  45  -9.601  -8.931   3.413
  354    HA   ASP  45           HA       ASP  45  -9.456 -11.072   5.240
  355    HB2  ASP  45           1HB      ASP  45  -7.872 -11.125   3.521
  356    HB3  ASP  45           2HB      ASP  45  -7.434  -9.435   3.741
  Start of MODEL    8
    1    H    PHE   1           1H       PHE   1  11.812 -10.068  -2.580
    2    HA   PHE   1           HA       PHE   1   9.915 -11.805  -4.031
    3    HB2  PHE   1           1HB      PHE   1  11.385 -12.142  -1.411
    4    HB3  PHE   1           2HB      PHE   1  10.108 -13.213  -1.975
    5    HD1  PHE   1           HD1      PHE   1  10.465 -14.627  -3.957
    6    HD2  PHE   1           HD2      PHE   1  13.596 -12.283  -2.282
    7    HE1  PHE   1           HE1      PHE   1  12.118 -15.967  -5.187
    8    HE2  PHE   1           HE2      PHE   1  15.256 -13.619  -3.513
    9    HZ   PHE   1           HZ       PHE   1  14.519 -15.462  -4.966
   10    H    PHE   2           H        PHE   2  10.337  -9.243  -1.745
   11    HA   PHE   2           HA       PHE   2   8.090  -9.606  -0.126
   12    HB2  PHE   2           1HB      PHE   2   9.549  -7.110  -0.969
   13    HB3  PHE   2           2HB      PHE   2   8.185  -7.068   0.139
   14    HD1  PHE   2           HD1      PHE   2   8.382  -8.696   2.191
   15    HD2  PHE   2           HD2      PHE   2  11.673  -7.282  -0.104
   16    HE1  PHE   2           HE1      PHE   2   9.888  -9.143   4.084
   17    HE2  PHE   2           HE2      PHE   2  13.187  -7.730   1.783
   18    HZ   PHE   2           HZ       PHE   2  12.295  -8.662   3.879
   19    H    ASP   3           H        ASP   3   8.370  -7.558  -3.060
   20    HA   ASP   3           HA       ASP   3   5.498  -7.221  -2.972
   21    HB2  ASP   3           1HB      ASP   3   5.710  -5.549  -4.661
   22    HB3  ASP   3           2HB      ASP   3   6.919  -5.255  -3.420
   23    H    GLU   4           H        GLU   4   7.501  -9.456  -4.251
   24    HA   GLU   4           HA       GLU   4   6.031 -10.152  -6.581
   25    HB2  GLU   4           1HB      GLU   4   8.203 -11.185  -6.108
   26    HB3  GLU   4           2HB      GLU   4   7.575 -11.884  -4.624
   27    HG2  GLU   4           1HG      GLU   4   7.733 -13.548  -6.376
   28    HG3  GLU   4           2HG      GLU   4   6.053 -13.281  -5.914
   29    H    LYS   5           H        LYS   5   5.852 -11.052  -3.170
   30    HA   LYS   5           HA       LYS   5   3.402 -12.439  -3.339
   31    HB2  LYS   5           1HB      LYS   5   4.912 -12.658  -1.418
   32    HB3  LYS   5           2HB      LYS   5   4.638 -10.978  -1.003
   33    HG2  LYS   5           1HG      LYS   5   3.365 -12.485   0.431
   34    HG3  LYS   5           2HG      LYS   5   2.310 -11.442  -0.518
   35    HD2  LYS   5           1HD      LYS   5   1.311 -13.561  -0.625
   36    HD3  LYS   5           2HD      LYS   5   2.144 -13.383  -2.166
   37    HE2  LYS   5           1HE      LYS   5   3.283 -14.841   0.213
   38    HE3  LYS   5           2HE      LYS   5   2.385 -15.628  -1.078
   39    HZ1  LYS   5           3HZ      LYS   5   4.633 -15.900  -1.603
   40    HZ2  LYS   5           1HZ      LYS   5   5.026 -14.298  -1.240
   41    HZ3  LYS   5           2HZ      LYS   5   4.117 -14.654  -2.616
   42    H    CYS   6           H        CYS   6   4.239  -9.042  -2.860
   43    HA   CYS   6           HA       CYS   6   1.725  -8.046  -2.157
   44    HB2  CYS   6           1HB      CYS   6   3.883  -6.757  -2.125
   45    HB3  CYS   6           2HB      CYS   6   3.804  -6.669  -3.879
   46    HG   CYS   6           HG       CYS   6   1.801  -4.917  -4.067
   47    H    ASN   7           H        ASN   7   3.207  -8.434  -5.356
   48    HA   ASN   7           HA       ASN   7   1.138  -7.411  -6.919
   49    HB2  ASN   7           1HB      ASN   7   3.443  -7.970  -7.716
   50    HB3  ASN   7           2HB      ASN   7   3.010  -9.671  -7.648
   51   HD21  ASN   7          1HD2      ASN   7   2.497  -6.656  -9.305
   52   HD22  ASN   7          2HD2      ASN   7   1.729  -7.328 -10.698
   53    H    LYS   8           H        LYS   8   1.800 -10.764  -5.983
   54    HA   LYS   8           HA       LYS   8  -0.432 -11.849  -7.331
   55    HB2  LYS   8           1HB      LYS   8   1.300 -12.965  -5.126
   56    HB3  LYS   8           2HB      LYS   8   0.183 -13.892  -6.103
   57    HG2  LYS   8           1HG      LYS   8   2.508 -12.360  -7.223
   58    HG3  LYS   8           2HG      LYS   8   2.554 -14.075  -6.814
   59    HD2  LYS   8           1HD      LYS   8   0.926 -14.598  -8.463
   60    HD3  LYS   8           2HD      LYS   8   0.551 -12.895  -8.726
   61    HE2  LYS   8           1HE      LYS   8   1.960 -13.931 -10.503
   62    HE3  LYS   8           2HE      LYS   8   2.669 -12.508  -9.745
   63    HZ1  LYS   8           3HZ      LYS   8   4.158 -14.508 -10.111
   64    HZ2  LYS   8           1HZ      LYS   8   3.331 -15.238  -8.831
   65    HZ3  LYS   8           2HZ      LYS   8   4.197 -13.799  -8.574
   66    H    LEU   9           H        LEU   9  -0.002 -10.460  -4.171
   67    HA   LEU   9           HA       LEU   9  -2.479 -11.532  -3.147
   68    HB2  LEU   9           1HB      LEU   9  -0.378 -11.112  -1.841
   69    HB3  LEU   9           2HB      LEU   9  -0.676  -9.400  -2.039
   70    HG   LEU   9           HG       LEU   9  -2.754  -9.611  -0.754
   71   HD11  LEU   9          1HD1      LEU   9  -3.198 -11.701   0.463
   72   HD12  LEU   9          2HD1      LEU   9  -1.891 -12.487  -0.422
   73   HD13  LEU   9          3HD1      LEU   9  -3.324 -11.922  -1.281
   74   HD21  LEU   9          3HD2      LEU   9  -1.645  -9.975   1.382
   75   HD22  LEU   9          1HD2      LEU   9  -0.620  -9.057   0.275
   76   HD23  LEU   9          2HD2      LEU   9  -0.306 -10.768   0.547
   77    H    LYS  10           H        LYS  10  -1.599  -9.075  -5.199
   78    HA   LYS  10           HA       LYS  10  -2.728  -7.416  -6.222
   79    HB2  LYS  10           1HB      LYS  10  -5.018  -8.641  -4.719
   80    HB3  LYS  10           2HB      LYS  10  -5.236  -7.142  -5.607
   81    HG2  LYS  10           1HG      LYS  10  -5.926  -8.863  -7.056
   82    HG3  LYS  10           2HG      LYS  10  -4.343  -8.344  -7.631
   83    HD2  LYS  10           1HD      LYS  10  -4.412 -10.732  -7.707
   84    HD3  LYS  10           2HD      LYS  10  -3.337 -10.257  -6.392
   85    HE2  LYS  10           1HE      LYS  10  -4.724 -12.077  -5.657
   86    HE3  LYS  10           2HE      LYS  10  -5.197 -10.613  -4.798
   87    HZ1  LYS  10           3HZ      LYS  10  -6.600 -11.782  -7.141
   88    HZ2  LYS  10           1HZ      LYS  10  -7.054 -10.366  -6.336
   89    HZ3  LYS  10           2HZ      LYS  10  -7.124 -11.851  -5.535
   90    H    GLY  11           H        GLY  11  -1.176  -6.876  -4.015
   91    HA2  GLY  11           1HA      GLY  11  -2.573  -4.512  -2.925
   92    HA3  GLY  11           2HA      GLY  11  -1.247  -5.335  -2.110
   93    H    THR  12           H        THR  12  -1.006  -2.659  -2.495
   94    HA   THR  12           HA       THR  12   1.032  -2.553  -4.604
   95    HB   THR  12           HB       THR  12   0.344  -0.032  -4.689
   96    HG1  THR  12           HG1      THR  12  -1.650  -1.139  -3.191
   97   HG21  THR  12          1HG2      THR  12  -1.187  -0.528  -6.539
   98   HG22  THR  12          2HG2      THR  12  -1.301  -2.198  -5.987
   99   HG23  THR  12          3HG2      THR  12   0.237  -1.567  -6.574
  100    H    CYS  13           H        CYS  13   2.981  -1.858  -3.954
  101    HA   CYS  13           HA       CYS  13   3.276  -0.949  -1.212
  102    HB2  CYS  13           1HB      CYS  13   5.502  -1.130  -3.245
  103    HB3  CYS  13           2HB      CYS  13   5.617  -1.165  -1.496
  104    HG   CYS  13           HG       CYS  13   4.010  -3.660  -3.178
  105    H    LYS  14           H        LYS  14   2.524   1.066  -1.006
  106    HA   LYS  14           HA       LYS  14   3.713   3.097  -2.752
  107    HB2  LYS  14           1HB      LYS  14   1.575   4.422  -1.903
  108    HB3  LYS  14           2HB      LYS  14   1.579   3.440  -3.349
  109    HG2  LYS  14           1HG      LYS  14  -0.331   2.758  -2.386
  110    HG3  LYS  14           2HG      LYS  14   0.768   1.561  -1.724
  111    HD2  LYS  14           1HD      LYS  14  -0.010   4.094  -0.292
  112    HD3  LYS  14           2HD      LYS  14  -0.894   2.582  -0.118
  113    HE2  LYS  14           1HE      LYS  14   1.015   1.498   0.814
  114    HE3  LYS  14           2HE      LYS  14   2.038   2.884   0.439
  115    HZ1  LYS  14           3HZ      LYS  14  -0.255   2.951   2.332
  116    HZ2  LYS  14           1HZ      LYS  14   0.856   4.195   2.050
  117    HZ3  LYS  14           2HZ      LYS  14   1.359   2.769   2.797
  118    H    ASN  15           H        ASN  15   3.542   5.337  -1.698
  119    HA   ASN  15           HA       ASN  15   4.764   5.262   0.899
  120    HB2  ASN  15           1HB      ASN  15   5.111   6.960  -1.043
  121    HB3  ASN  15           2HB      ASN  15   3.678   7.711  -0.387
  122   HD21  ASN  15          1HD2      ASN  15   6.143   6.103   1.529
  123   HD22  ASN  15          2HD2      ASN  15   6.687   7.531   2.336
  124    H    ASN  16           H        ASN  16   1.781   6.537  -0.505
  125    HA   ASN  16           HA       ASN  16   0.565   6.570   2.194
  126    HB2  ASN  16           1HB      ASN  16  -0.587   8.621   1.662
  127    HB3  ASN  16           2HB      ASN  16   1.125   8.859   1.335
  128   HD21  ASN  16          1HD2      ASN  16   1.829   8.860  -0.858
  129   HD22  ASN  16          2HD2      ASN  16   0.731   9.281  -2.125
  130    H    CYS  17           H        CYS  17  -1.542   5.860   2.362
  131    HA   CYS  17           HA       CYS  17  -2.304   3.970   0.366
  132    HB2  CYS  17           1HB      CYS  17  -3.950   4.862   2.731
  133    HB3  CYS  17           2HB      CYS  17  -4.058   3.337   1.864
  134    HG   CYS  17           HG       CYS  17  -2.545   3.784   4.590
  135    H    GLY  18           H        GLY  18  -3.747   4.099  -1.203
  136    HA2  GLY  18           1HA      GLY  18  -4.912   6.719  -1.735
  137    HA3  GLY  18           2HA      GLY  18  -4.795   5.378  -2.863
  138    H    LYS  19           H        LYS  19  -6.974   5.827  -3.398
  139    HA   LYS  19           HA       LYS  19  -9.166   5.916  -1.769
  140    HB2  LYS  19           1HB      LYS  19 -10.334   4.771  -3.821
  141    HB3  LYS  19           2HB      LYS  19  -9.672   6.391  -3.952
  142    HG2  LYS  19           1HG      LYS  19  -8.983   5.338  -5.904
  143    HG3  LYS  19           2HG      LYS  19  -7.566   5.257  -4.867
  144    HD2  LYS  19           1HD      LYS  19  -8.314   2.939  -4.223
  145    HD3  LYS  19           2HD      LYS  19  -9.516   3.057  -5.508
  146    HE2  LYS  19           1HE      LYS  19  -7.581   1.889  -6.339
  147    HE3  LYS  19           2HE      LYS  19  -7.689   3.464  -7.124
  148    HZ1  LYS  19           3HZ      LYS  19  -5.906   2.793  -4.833
  149    HZ2  LYS  19           1HZ      LYS  19  -6.002   4.295  -5.612
  150    HZ3  LYS  19           2HZ      LYS  19  -5.426   2.949  -6.450
  151    H    ASN  20           H        ASN  20  -9.985   4.630  -0.318
  152    HA   ASN  20           HA       ASN  20 -10.596   2.790   0.871
  153    HB2  ASN  20           1HB      ASN  20 -10.907   1.649  -1.913
  154    HB3  ASN  20           2HB      ASN  20 -11.569   0.928  -0.451
  155   HD21  ASN  20          1HD2      ASN  20 -12.895   1.914  -2.856
  156   HD22  ASN  20          2HD2      ASN  20 -14.032   3.101  -2.319
  157    H    GLU  21           H        GLU  21  -7.898   2.984   0.910
  158    HA   GLU  21           HA       GLU  21  -6.980   0.223   0.455
  159    HB2  GLU  21           1HB      GLU  21  -5.604   2.852   0.011
  160    HB3  GLU  21           2HB      GLU  21  -4.652   1.415   0.348
  161    HG2  GLU  21           1HG      GLU  21  -5.505   0.315  -1.597
  162    HG3  GLU  21           2HG      GLU  21  -6.667   1.609  -1.876
  163    H    GLU  22           H        GLU  22  -6.022  -0.838   2.064
  164    HA   GLU  22           HA       GLU  22  -5.390   0.668   4.514
  165    HB2  GLU  22           1HB      GLU  22  -6.012  -1.339   5.789
  166    HB3  GLU  22           2HB      GLU  22  -7.368  -0.682   4.894
  167    HG2  GLU  22           1HG      GLU  22  -7.256  -2.427   3.292
  168    HG3  GLU  22           2HG      GLU  22  -5.705  -2.987   3.919
  169    H    LEU  23           H        LEU  23  -3.615  -0.092   5.751
  170    HA   LEU  23           HA       LEU  23  -1.452  -1.085   4.137
  171    HB2  LEU  23           1HB      LEU  23  -1.512   0.650   6.142
  172    HB3  LEU  23           2HB      LEU  23  -1.246  -0.782   7.097
  173    HG   LEU  23           HG       LEU  23   0.561   0.096   4.851
  174   HD11  LEU  23          1HD1      LEU  23   2.063   0.846   6.658
  175   HD12  LEU  23          2HD1      LEU  23   0.772   0.551   7.822
  176   HD13  LEU  23          3HD1      LEU  23   0.573   1.782   6.577
  177   HD21  LEU  23          3HD2      LEU  23   0.629  -2.283   5.421
  178   HD22  LEU  23          1HD2      LEU  23   0.948  -1.859   7.099
  179   HD23  LEU  23          2HD2      LEU  23   2.128  -1.454   5.849
  180    H    ILE  24           H        ILE  24  -0.745  -3.122   4.013
  181    HA   ILE  24           HA       ILE  24  -1.914  -5.086   5.870
  182    HB   ILE  24           HB       ILE  24  -2.379  -6.587   4.141
  183   HG12  ILE  24          1HG1      ILE  24  -1.417  -5.666   1.727
  184   HG13  ILE  24          2HG1      ILE  24  -0.093  -5.315   2.832
  185   HG21  ILE  24          1HG2      ILE  24  -2.711  -3.927   2.781
  186   HG22  ILE  24          2HG2      ILE  24  -3.770  -4.530   4.059
  187   HG23  ILE  24          3HG2      ILE  24  -3.665  -5.388   2.522
  188   HD11  ILE  24          3HD1      ILE  24  -0.062  -7.649   3.535
  189   HD12  ILE  24          1HD1      ILE  24   0.180  -7.487   1.796
  190   HD13  ILE  24          2HD1      ILE  24  -1.387  -7.997   2.424
  191    H    ALA  25           H        ALA  25   0.942  -3.956   4.245
  192    HA   ALA  25           HA       ALA  25   2.615  -5.626   5.898
  193    HB1  ALA  25           3HB      ALA  25   2.110  -7.162   4.049
  194    HB2  ALA  25           1HB      ALA  25   3.812  -6.701   4.065
  195    HB3  ALA  25           2HB      ALA  25   2.712  -5.969   2.899
  196    H    LEU  26           H        LEU  26   4.879  -5.110   5.642
  197    HA   LEU  26           HA       LEU  26   5.227  -2.337   4.734
  198    HB2  LEU  26           1HB      LEU  26   6.517  -3.921   6.935
  199    HB3  LEU  26           2HB      LEU  26   7.174  -2.392   6.378
  200    HG   LEU  26           HG       LEU  26   4.412  -2.769   7.551
  201   HD11  LEU  26          1HD1      LEU  26   6.155  -3.144   9.214
  202   HD12  LEU  26          2HD1      LEU  26   5.303  -1.630   9.516
  203   HD13  LEU  26          3HD1      LEU  26   6.907  -1.608   8.782
  204   HD21  LEU  26          3HD2      LEU  26   4.452  -0.288   7.695
  205   HD22  LEU  26          1HD2      LEU  26   4.443  -0.890   6.037
  206   HD23  LEU  26          2HD2      LEU  26   5.941  -0.294   6.753
  207    H    CYS  27           H        CYS  27   6.970  -1.813   3.466
  208    HA   CYS  27           HA       CYS  27   8.519  -4.069   2.390
  209    HB2  CYS  27           1HB      CYS  27   7.080  -1.880   0.883
  210    HB3  CYS  27           2HB      CYS  27   8.254  -2.949   0.134
  211    HG   CYS  27           HG       CYS  27   5.798  -3.887  -0.652
  212    H    GLN  28           H        GLN  28  10.205  -2.917   0.723
  213    HA   GLN  28           HA       GLN  28  11.776  -1.140   2.415
  214    HB2  GLN  28           1HB      GLN  28  12.501  -2.398  -0.224
  215    HB3  GLN  28           2HB      GLN  28  13.594  -1.554   0.855
  216    HG2  GLN  28           1HG      GLN  28  13.285  -3.272   2.543
  217    HG3  GLN  28           2HG      GLN  28  12.156  -4.120   1.485
  218   HE21  GLN  28          1HE2      GLN  28  14.677  -5.031   2.620
  219   HE22  GLN  28          2HE2      GLN  28  15.680  -5.464   1.278
  220    H    LYS  29           H        LYS  29  13.049   0.587   1.162
  221    HA   LYS  29           HA       LYS  29  13.123   2.529  -0.029
  222    HB2  LYS  29           1HB      LYS  29  11.001   1.275  -1.737
  223    HB3  LYS  29           2HB      LYS  29  11.974   2.670  -2.159
  224    HG2  LYS  29           1HG      LYS  29  13.972   1.292  -2.205
  225    HG3  LYS  29           2HG      LYS  29  13.027  -0.113  -1.714
  226    HD2  LYS  29           1HD      LYS  29  12.708   1.456  -4.272
  227    HD3  LYS  29           2HD      LYS  29  13.418  -0.150  -4.113
  228    HE2  LYS  29           1HE      LYS  29  10.559   0.559  -3.434
  229    HE3  LYS  29           2HE      LYS  29  11.087  -0.206  -4.933
  230    HZ1  LYS  29           3HZ      LYS  29  10.260  -1.837  -3.382
  231    HZ2  LYS  29           1HZ      LYS  29  11.371  -1.342  -2.208
  232    HZ3  LYS  29           2HZ      LYS  29  11.916  -2.072  -3.629
  233    H    SER  30           H        SER  30  11.470   2.332   2.184
  234    HA   SER  30           HA       SER  30   9.754   3.237   3.342
  235    HB2  SER  30           1HB      SER  30   9.160   5.606   2.748
  236    HB3  SER  30           2HB      SER  30  10.882   5.314   2.973
  237    HG   SER  30           HG       SER  30  10.193   4.920   0.398
  238    H    LEU  31           H        LEU  31   9.090   1.455   1.163
  239    HA   LEU  31           HA       LEU  31   6.390   2.404   0.506
  240    HB2  LEU  31           1HB      LEU  31   8.065   0.202  -0.734
  241    HB3  LEU  31           2HB      LEU  31   6.388   0.489  -1.123
  242    HG   LEU  31           HG       LEU  31   8.659   2.418  -1.597
  243   HD11  LEU  31          1HD1      LEU  31   8.617   0.430  -3.077
  244   HD12  LEU  31          2HD1      LEU  31   8.327   1.944  -3.931
  245   HD13  LEU  31          3HD1      LEU  31   6.979   0.868  -3.562
  246   HD21  LEU  31          3HD2      LEU  31   6.951   3.712  -2.827
  247   HD22  LEU  31          1HD2      LEU  31   6.620   3.613  -1.094
  248   HD23  LEU  31          2HD2      LEU  31   5.722   2.598  -2.224
  249    H    LYS  32           H        LYS  32   4.616   1.113   1.021
  250    HA   LYS  32           HA       LYS  32   5.087  -1.466   2.234
  251    HB2  LYS  32           1HB      LYS  32   3.734  -1.000   4.179
  252    HB3  LYS  32           2HB      LYS  32   5.077   0.115   4.079
  253    HG2  LYS  32           1HG      LYS  32   2.305   0.833   3.206
  254    HG3  LYS  32           2HG      LYS  32   2.906   1.071   4.848
  255    HD2  LYS  32           1HD      LYS  32   4.044   2.298   2.333
  256    HD3  LYS  32           2HD      LYS  32   3.077   3.129   3.549
  257    HE2  LYS  32           1HE      LYS  32   5.792   1.888   3.997
  258    HE3  LYS  32           2HE      LYS  32   5.468   3.606   3.797
  259    HZ1  LYS  32           3HZ      LYS  32   5.722   2.941   6.128
  260    HZ2  LYS  32           1HZ      LYS  32   4.371   1.936   5.991
  261    HZ3  LYS  32           2HZ      LYS  32   4.200   3.608   5.816
  262    H    CYS  33           H        CYS  33   3.175  -2.801   2.314
  263    HA   CYS  33           HA       CYS  33   1.790  -2.462  -0.185
  264    HB2  CYS  33           1HB      CYS  33   2.716  -4.659   0.644
  265    HB3  CYS  33           2HB      CYS  33   1.431  -4.658   1.851
  266    HG   CYS  33           HG       CYS  33   1.309  -5.499  -1.361
  267    H    CYS  34           H        CYS  34  -0.063  -1.460  -0.390
  268    HA   CYS  34           HA       CYS  34  -2.077  -1.868   1.707
  269    HB2  CYS  34           1HB      CYS  34  -1.617   0.605   0.033
  270    HB3  CYS  34           2HB      CYS  34  -3.050   0.336   1.022
  271    HG   CYS  34           HG       CYS  34  -2.057   1.137   3.250
  272    H    ARG  35           H        ARG  35  -4.043  -2.525   1.042
  273    HA   ARG  35           HA       ARG  35  -4.200  -3.297  -1.790
  274    HB2  ARG  35           1HB      ARG  35  -5.653  -4.461   0.597
  275    HB3  ARG  35           2HB      ARG  35  -5.716  -5.075  -1.048
  276    HG2  ARG  35           1HG      ARG  35  -3.398  -5.692  -0.971
  277    HG3  ARG  35           2HG      ARG  35  -3.209  -4.929   0.608
  278    HD2  ARG  35           1HD      ARG  35  -3.435  -7.187   1.135
  279    HD3  ARG  35           2HD      ARG  35  -5.059  -6.542   1.366
  280    HE   ARG  35           HE       ARG  35  -4.812  -7.486  -1.275
  281   HH11  ARG  35          1HH1      ARG  35  -5.057  -8.656   2.011
  282   HH12  ARG  35          2HH1      ARG  35  -5.751 -10.177   1.555
  283   HH21  ARG  35          1HH2      ARG  35  -5.747  -9.476  -1.884
  284   HH22  ARG  35          2HH2      ARG  35  -6.141 -10.648  -0.667
  285    H    THR  36           H        THR  36  -5.843  -2.635  -3.033
  286    HA   THR  36           HA       THR  36  -7.644  -0.625  -2.072
  287    HB   THR  36           HB       THR  36  -7.597  -2.031  -4.754
  288    HG1  THR  36           HG1      THR  36  -6.006  -0.106  -3.631
  289   HG21  THR  36          1HG2      THR  36  -8.845  -0.076  -5.548
  290   HG22  THR  36          2HG2      THR  36  -8.882   0.572  -3.909
  291   HG23  THR  36          3HG2      THR  36  -9.736  -0.924  -4.285
  292    H    ILE  37           H        ILE  37  -9.184  -1.251  -0.761
  293    HA   ILE  37           HA       ILE  37 -10.337  -3.879  -0.845
  294    HB   ILE  37           HB       ILE  37 -11.119  -1.501   0.838
  295   HG12  ILE  37          1HG1      ILE  37  -8.732  -1.940   1.052
  296   HG13  ILE  37          2HG1      ILE  37  -9.559  -2.453   2.510
  297   HG21  ILE  37          1HG2      ILE  37 -12.754  -3.318   0.826
  298   HG22  ILE  37          2HG2      ILE  37 -11.958  -3.184   2.394
  299   HG23  ILE  37          3HG2      ILE  37 -11.489  -4.461   1.274
  300   HD11  ILE  37          3HD1      ILE  37  -9.455  -4.763   1.770
  301   HD12  ILE  37          1HD1      ILE  37  -7.848  -4.045   1.830
  302   HD13  ILE  37          2HD1      ILE  37  -8.667  -4.258   0.280
  303    H    GLN  38           H        GLN  38 -11.856  -4.383  -2.230
  304    HA   GLN  38           HA       GLN  38 -13.742  -2.308  -3.099
  305    HB2  GLN  38           1HB      GLN  38 -14.138  -3.742  -5.072
  306    HB3  GLN  38           2HB      GLN  38 -12.460  -3.241  -4.925
  307    HG2  GLN  38           1HG      GLN  38 -11.912  -5.436  -3.967
  308    HG3  GLN  38           2HG      GLN  38 -13.591  -5.928  -4.187
  309   HE21  GLN  38          1HE2      GLN  38 -11.173  -7.067  -5.318
  310   HE22  GLN  38          2HE2      GLN  38 -11.370  -6.999  -7.035
  311    HA   PRO  39           HA       PRO  39 -16.937  -4.383  -0.774
  312    HB2  PRO  39           1HB      PRO  39 -18.713  -2.998  -2.701
  313    HB3  PRO  39           2HB      PRO  39 -18.705  -2.935  -0.936
  314    HG2  PRO  39           1HG      PRO  39 -17.830  -0.874  -2.388
  315    HG3  PRO  39           2HG      PRO  39 -17.042  -1.328  -0.866
  316    HD2  PRO  39           1HD      PRO  39 -16.174  -1.848  -3.681
  317    HD3  PRO  39           2HD      PRO  39 -15.202  -1.401  -2.264
  318    H    SER  40           H        SER  40 -18.032  -6.251  -1.056
  319    HA   SER  40           HA       SER  40 -18.922  -8.106  -2.010
  320    HB2  SER  40           1HB      SER  40 -18.940  -6.459  -4.538
  321    HB3  SER  40           2HB      SER  40 -19.711  -8.037  -4.356
  322    HG   SER  40           HG       SER  40 -20.302  -5.802  -2.708
  323    H    GLY  41           H        GLY  41 -15.978  -6.866  -2.639
  324    HA2  GLY  41           1HA      GLY  41 -14.963  -8.719  -4.550
  325    HA3  GLY  41           2HA      GLY  41 -14.010  -7.734  -3.452
  326    H    SER  42           H        SER  42 -13.012 -10.123  -3.850
  327    HA   SER  42           HA       SER  42 -14.048 -12.111  -2.072
  328    HB2  SER  42           1HB      SER  42 -12.764 -12.661  -4.131
  329    HB3  SER  42           2HB      SER  42 -11.324 -11.973  -3.388
  330    HG   SER  42           HG       SER  42 -12.831 -14.176  -2.406
  331    H    ILE  43           H        ILE  43 -13.113 -12.870  -0.185
  332    HA   ILE  43           HA       ILE  43 -12.048 -12.846   1.811
  333    HB   ILE  43           HB       ILE  43 -10.242 -10.758   0.584
  334   HG12  ILE  43          1HG1      ILE  43  -9.844 -13.731   0.995
  335   HG13  ILE  43          2HG1      ILE  43 -10.176 -12.953  -0.549
  336   HG21  ILE  43          1HG2      ILE  43  -8.706 -11.287   2.423
  337   HG22  ILE  43          2HG2      ILE  43  -9.923 -12.354   3.125
  338   HG23  ILE  43          3HG2      ILE  43 -10.227 -10.620   3.016
  339   HD11  ILE  43          3HD1      ILE  43  -7.824 -13.483  -0.322
  340   HD12  ILE  43          1HD1      ILE  43  -7.736 -12.528   1.158
  341   HD13  ILE  43          2HD1      ILE  43  -8.066 -11.736  -0.383
  342    H    ILE  44           H        ILE  44 -11.998  -9.428   0.748
  343    HA   ILE  44           HA       ILE  44 -13.371  -8.781   3.271
  344    HB   ILE  44           HB       ILE  44 -11.066  -8.107   3.481
  345   HG12  ILE  44          1HG1      ILE  44 -12.792  -5.680   2.939
  346   HG13  ILE  44          2HG1      ILE  44 -12.815  -6.624   4.424
  347   HG21  ILE  44          1HG2      ILE  44 -10.549  -7.987   1.081
  348   HG22  ILE  44          2HG2      ILE  44  -9.974  -6.579   1.969
  349   HG23  ILE  44          3HG2      ILE  44 -11.429  -6.461   0.981
  350   HD11  ILE  44          3HD1      ILE  44 -10.548  -4.959   3.360
  351   HD12  ILE  44          1HD1      ILE  44 -10.424  -6.033   4.755
  352   HD13  ILE  44          2HD1      ILE  44 -11.529  -4.660   4.794
  353    H    ASP  45           H        ASP  45 -15.007  -7.332   3.210
  354    HA   ASP  45           HA       ASP  45 -15.834  -6.389   0.545
  355    HB2  ASP  45           1HB      ASP  45 -17.513  -7.047   2.979
  356    HB3  ASP  45           2HB      ASP  45 -18.146  -6.367   1.487
  Start of MODEL    9
    1    H    PHE   1           1H       PHE   1  11.258 -12.195  -1.037
    2    HA   PHE   1           HA       PHE   1   8.974 -12.616  -1.514
    3    HB2  PHE   1           1HB      PHE   1  10.170 -14.075   0.104
    4    HB3  PHE   1           2HB      PHE   1   9.574 -13.066   1.418
    5    HD1  PHE   1           HD2      PHE   1   8.419 -15.198  -1.394
    6    HD2  PHE   1           HD1      PHE   1   7.535 -13.543   2.423
    7    HE1  PHE   1           HE2      PHE   1   6.379 -16.568  -1.277
    8    HE2  PHE   1           HE1      PHE   1   5.492 -14.909   2.547
    9    HZ   PHE   1           HZ       PHE   1   4.913 -16.424   0.696
   10    H    PHE   2           H        PHE   2   9.500 -10.029   0.714
   11    HA   PHE   2           HA       PHE   2   7.037  -9.655   1.882
   12    HB2  PHE   2           1HB      PHE   2   9.046  -7.646   0.885
   13    HB3  PHE   2           2HB      PHE   2   7.571  -7.154   1.711
   14    HD1  PHE   2           HD2      PHE   2   7.141  -8.303   4.012
   15    HD2  PHE   2           HD1      PHE   2  10.946  -8.048   2.126
   16    HE1  PHE   2           HE2      PHE   2   8.239  -8.634   6.189
   17    HE2  PHE   2           HE1      PHE   2  12.051  -8.375   4.300
   18    HZ   PHE   2           HZ       PHE   2  10.694  -8.669   6.335
   19    H    ASP   3           H        ASP   3   8.046  -8.166  -1.225
   20    HA   ASP   3           HA       ASP   3   5.271  -7.520  -1.710
   21    HB2  ASP   3           1HB      ASP   3   6.029  -6.321  -3.680
   22    HB3  ASP   3           2HB      ASP   3   6.920  -5.821  -2.251
   23    H    GLU   4           H        GLU   4   7.156 -10.150  -2.236
   24    HA   GLU   4           HA       GLU   4   5.942 -11.093  -4.645
   25    HB2  GLU   4           1HB      GLU   4   8.003 -12.101  -3.610
   26    HB3  GLU   4           2HB      GLU   4   6.988 -12.734  -2.323
   27    HG2  GLU   4           1HG      GLU   4   7.378 -14.490  -3.869
   28    HG3  GLU   4           2HG      GLU   4   5.699 -13.984  -4.051
   29    H    LYS   5           H        LYS   5   5.239 -11.162  -1.220
   30    HA   LYS   5           HA       LYS   5   2.752 -12.534  -1.463
   31    HB2  LYS   5           1HB      LYS   5   4.187 -12.302   0.634
   32    HB3  LYS   5           2HB      LYS   5   3.571 -10.661   0.754
   33    HG2  LYS   5           1HG      LYS   5   2.336 -12.164   2.203
   34    HG3  LYS   5           2HG      LYS   5   1.293 -11.523   0.933
   35    HD2  LYS   5           1HD      LYS   5   1.463 -13.578  -0.313
   36    HD3  LYS   5           2HD      LYS   5   2.656 -14.212   0.821
   37    HE2  LYS   5           1HE      LYS   5  -0.182 -13.494   1.536
   38    HE3  LYS   5           2HE      LYS   5   0.371 -15.124   1.157
   39    HZ1  LYS   5           3HZ      LYS   5   0.308 -14.811   3.523
   40    HZ2  LYS   5           1HZ      LYS   5   1.290 -13.437   3.421
   41    HZ3  LYS   5           2HZ      LYS   5   1.920 -14.955   3.035
   42    H    CYS   6           H        CYS   6   3.821  -9.181  -1.558
   43    HA   CYS   6           HA       CYS   6   1.354  -7.880  -1.498
   44    HB2  CYS   6           1HB      CYS   6   3.526  -6.692  -1.458
   45    HB3  CYS   6           2HB      CYS   6   3.821  -7.169  -3.122
   46    HG   CYS   6           HG       CYS   6   1.312  -5.739  -3.858
   47    H    ASN   7           H        ASN   7   3.122  -9.324  -4.191
   48    HA   ASN   7           HA       ASN   7   1.313  -8.716  -6.256
   49    HB2  ASN   7           1HB      ASN   7   3.622  -9.562  -6.592
   50    HB3  ASN   7           2HB      ASN   7   3.115 -11.133  -5.996
   51   HD21  ASN   7          1HD2      ASN   7   2.979  -8.891  -8.631
   52   HD22  ASN   7          2HD2      ASN   7   2.290  -9.978  -9.786
   53    H    LYS   8           H        LYS   8   1.583 -11.456  -4.081
   54    HA   LYS   8           HA       LYS   8  -0.399 -13.104  -5.150
   55    HB2  LYS   8           1HB      LYS   8   1.357 -13.504  -3.259
   56    HB3  LYS   8           2HB      LYS   8   0.079 -12.941  -2.199
   57    HG2  LYS   8           1HG      LYS   8  -0.301 -15.222  -4.113
   58    HG3  LYS   8           2HG      LYS   8   0.312 -15.441  -2.476
   59    HD2  LYS   8           1HD      LYS   8  -1.742 -14.427  -1.588
   60    HD3  LYS   8           2HD      LYS   8  -2.352 -14.240  -3.234
   61    HE2  LYS   8           1HE      LYS   8  -2.262 -16.671  -3.537
   62    HE3  LYS   8           2HE      LYS   8  -1.659 -16.849  -1.892
   63    HZ1  LYS   8           3HZ      LYS   8  -4.296 -15.704  -2.626
   64    HZ2  LYS   8           1HZ      LYS   8  -3.720 -15.942  -1.055
   65    HZ3  LYS   8           2HZ      LYS   8  -4.041 -17.270  -2.049
   66    H    LEU   9           H        LEU   9  -0.664 -10.509  -2.734
   67    HA   LEU   9           HA       LEU   9  -3.519 -10.844  -2.475
   68    HB2  LEU   9           1HB      LEU   9  -1.555  -8.832  -1.422
   69    HB3  LEU   9           2HB      LEU   9  -3.275  -8.541  -1.297
   70    HG   LEU   9           HG       LEU   9  -2.493  -9.414   0.789
   71   HD11  LEU   9          1HD1      LEU   9  -3.969 -11.572  -0.703
   72   HD12  LEU   9          2HD1      LEU   9  -4.695 -10.161   0.064
   73   HD13  LEU   9          3HD1      LEU   9  -3.890 -11.384   1.047
   74   HD21  LEU   9          3HD2      LEU   9  -1.437 -11.787  -0.736
   75   HD22  LEU   9          1HD2      LEU   9  -1.410 -11.572   1.014
   76   HD23  LEU   9          2HD2      LEU   9  -0.458 -10.504  -0.021
   77    H    LYS  10           H        LYS  10  -1.495  -9.413  -4.708
   78    HA   LYS  10           HA       LYS  10  -1.789  -8.124  -6.530
   79    HB2  LYS  10           1HB      LYS  10  -4.677  -8.646  -5.900
   80    HB3  LYS  10           2HB      LYS  10  -4.187  -7.626  -7.249
   81    HG2  LYS  10           1HG      LYS  10  -2.792  -9.555  -8.058
   82    HG3  LYS  10           2HG      LYS  10  -3.598 -10.541  -6.836
   83    HD2  LYS  10           1HD      LYS  10  -5.744 -10.099  -7.831
   84    HD3  LYS  10           2HD      LYS  10  -5.012  -8.964  -8.967
   85    HE2  LYS  10           1HE      LYS  10  -4.381 -11.908  -8.828
   86    HE3  LYS  10           2HE      LYS  10  -5.516 -11.179  -9.963
   87    HZ1  LYS  10           3HZ      LYS  10  -3.692  -9.857 -10.860
   88    HZ2  LYS  10           1HZ      LYS  10  -3.369 -11.512 -10.987
   89    HZ3  LYS  10           2HZ      LYS  10  -2.608 -10.594  -9.790
   90    H    GLY  11           H        GLY  11  -1.290  -6.975  -4.021
   91    HA2  GLY  11           1HA      GLY  11  -2.674  -4.384  -4.197
   92    HA3  GLY  11           2HA      GLY  11  -1.702  -4.938  -2.836
   93    H    THR  12           H        THR  12  -1.084  -2.499  -3.607
   94    HA   THR  12           HA       THR  12   1.307  -2.847  -5.285
   95    HB   THR  12           HB       THR  12  -0.316  -1.537  -6.513
   96    HG1  THR  12           HG1      THR  12   1.041   0.158  -7.006
   97   HG21  THR  12          1HG2      THR  12  -0.232   0.364  -4.180
   98   HG22  THR  12          2HG2      THR  12  -1.600  -0.650  -4.637
   99   HG23  THR  12          3HG2      THR  12  -1.069   0.649  -5.707
  100    H    CYS  13           H        CYS  13   3.064  -1.464  -4.822
  101    HA   CYS  13           HA       CYS  13   3.290  -0.986  -1.947
  102    HB2  CYS  13           1HB      CYS  13   5.532  -0.894  -3.964
  103    HB3  CYS  13           2HB      CYS  13   5.654  -1.064  -2.221
  104    HG   CYS  13           HG       CYS  13   4.051  -3.613  -2.623
  105    H    LYS  14           H        LYS  14   2.483   0.951  -1.515
  106    HA   LYS  14           HA       LYS  14   3.778   3.249  -2.793
  107    HB2  LYS  14           1HB      LYS  14   1.594   4.496  -2.503
  108    HB3  LYS  14           2HB      LYS  14   1.613   3.274  -3.767
  109    HG2  LYS  14           1HG      LYS  14   0.377   1.751  -2.407
  110    HG3  LYS  14           2HG      LYS  14   0.514   2.813  -1.008
  111    HD2  LYS  14           1HD      LYS  14  -1.701   2.983  -1.983
  112    HD3  LYS  14           2HD      LYS  14  -0.834   4.503  -2.171
  113    HE2  LYS  14           1HE      LYS  14  -0.818   2.470  -4.367
  114    HE3  LYS  14           2HE      LYS  14  -2.202   3.538  -4.159
  115    HZ1  LYS  14           3HZ      LYS  14  -0.648   4.452  -5.741
  116    HZ2  LYS  14           1HZ      LYS  14   0.607   4.398  -4.610
  117    HZ3  LYS  14           2HZ      LYS  14  -0.702   5.436  -4.369
  118    H    ASN  15           H        ASN  15   3.411   5.270  -1.351
  119    HA   ASN  15           HA       ASN  15   4.175   4.472   1.321
  120    HB2  ASN  15           1HB      ASN  15   4.154   7.123  -0.114
  121    HB3  ASN  15           2HB      ASN  15   4.567   6.963   1.584
  122   HD21  ASN  15          1HD2      ASN  15   6.467   5.881   2.165
  123   HD22  ASN  15          2HD2      ASN  15   7.745   5.625   1.025
  124    H    ASN  16           H        ASN  16   1.805   6.640  -0.185
  125    HA   ASN  16           HA       ASN  16   0.269   6.674   2.315
  126    HB2  ASN  16           1HB      ASN  16  -0.086   8.415  -0.137
  127    HB3  ASN  16           2HB      ASN  16  -0.846   8.640   1.433
  128   HD21  ASN  16          1HD2      ASN  16   2.079   8.934  -0.405
  129   HD22  ASN  16          2HD2      ASN  16   2.937   9.919   0.732
  130    H    CYS  17           H        CYS  17  -1.605   5.577   2.442
  131    HA   CYS  17           HA       CYS  17  -2.437   3.924   0.276
  132    HB2  CYS  17           1HB      CYS  17  -3.931   4.559   2.827
  133    HB3  CYS  17           2HB      CYS  17  -4.212   3.189   1.762
  134    HG   CYS  17           HG       CYS  17  -1.454   2.297   2.258
  135    H    GLY  18           H        GLY  18  -3.766   4.381  -1.336
  136    HA2  GLY  18           1HA      GLY  18  -4.961   7.016  -1.475
  137    HA3  GLY  18           2HA      GLY  18  -4.910   5.813  -2.756
  138    H    LYS  19           H        LYS  19  -7.131   6.349  -3.164
  139    HA   LYS  19           HA       LYS  19  -9.193   6.173  -1.319
  140    HB2  LYS  19           1HB      LYS  19 -10.650   5.636  -3.333
  141    HB3  LYS  19           2HB      LYS  19  -9.728   7.126  -3.403
  142    HG2  LYS  19           1HG      LYS  19  -9.424   6.300  -5.519
  143    HG3  LYS  19           2HG      LYS  19  -7.996   5.670  -4.700
  144    HD2  LYS  19           1HD      LYS  19  -9.142   3.515  -4.382
  145    HD3  LYS  19           2HD      LYS  19 -10.555   4.157  -5.228
  146    HE2  LYS  19           1HE      LYS  19  -9.244   4.449  -7.246
  147    HE3  LYS  19           2HE      LYS  19  -7.792   3.903  -6.409
  148    HZ1  LYS  19           3HZ      LYS  19  -8.724   2.130  -7.721
  149    HZ2  LYS  19           1HZ      LYS  19 -10.219   2.276  -6.942
  150    HZ3  LYS  19           2HZ      LYS  19  -8.864   1.748  -6.083
  151    H    ASN  20           H        ASN  20 -10.070   4.610  -0.213
  152    HA   ASN  20           HA       ASN  20 -10.578   2.563   0.611
  153    HB2  ASN  20           1HB      ASN  20 -10.782   2.050  -2.351
  154    HB3  ASN  20           2HB      ASN  20 -11.156   0.805  -1.166
  155   HD21  ASN  20          1HD2      ASN  20 -13.286   0.702  -1.834
  156   HD22  ASN  20          2HD2      ASN  20 -14.432   1.936  -1.447
  157    H    GLU  21           H        GLU  21  -7.914   2.940   0.877
  158    HA   GLU  21           HA       GLU  21  -6.900   0.245   0.300
  159    HB2  GLU  21           1HB      GLU  21  -5.472   2.858  -0.102
  160    HB3  GLU  21           2HB      GLU  21  -4.583   1.362   0.143
  161    HG2  GLU  21           1HG      GLU  21  -5.812   0.404  -1.799
  162    HG3  GLU  21           2HG      GLU  21  -6.504   1.999  -2.081
  163    H    GLU  22           H        GLU  22  -5.697  -0.733   1.835
  164    HA   GLU  22           HA       GLU  22  -5.328   0.723   4.376
  165    HB2  GLU  22           1HB      GLU  22  -5.828  -1.326   5.587
  166    HB3  GLU  22           2HB      GLU  22  -7.170  -0.926   4.525
  167    HG2  GLU  22           1HG      GLU  22  -6.508  -2.609   2.955
  168    HG3  GLU  22           2HG      GLU  22  -5.027  -2.922   3.851
  169    H    LEU  23           H        LEU  23  -3.551  -0.066   5.711
  170    HA   LEU  23           HA       LEU  23  -1.263  -0.834   4.101
  171    HB2  LEU  23           1HB      LEU  23  -1.534   0.842   6.218
  172    HB3  LEU  23           2HB      LEU  23  -0.997  -0.611   7.034
  173    HG   LEU  23           HG       LEU  23   1.046  -0.652   5.696
  174   HD11  LEU  23          1HD1      LEU  23  -0.287   1.642   4.309
  175   HD12  LEU  23          2HD1      LEU  23   0.424   0.180   3.616
  176   HD13  LEU  23          3HD1      LEU  23   1.462   1.438   4.288
  177   HD21  LEU  23          3HD2      LEU  23   0.497   2.067   6.881
  178   HD22  LEU  23          1HD2      LEU  23   2.087   1.372   6.566
  179   HD23  LEU  23          2HD2      LEU  23   1.027   0.641   7.772
  180    H    ILE  24           H        ILE  24  -0.656  -2.868   3.848
  181    HA   ILE  24           HA       ILE  24  -1.764  -4.869   5.711
  182    HB   ILE  24           HB       ILE  24  -2.348  -6.265   3.925
  183   HG12  ILE  24          1HG1      ILE  24  -1.331  -5.362   1.541
  184   HG13  ILE  24          2HG1      ILE  24   0.006  -5.053   2.638
  185   HG21  ILE  24          1HG2      ILE  24  -2.496  -3.575   2.605
  186   HG22  ILE  24          2HG2      ILE  24  -3.516  -4.040   3.966
  187   HG23  ILE  24          3HG2      ILE  24  -3.613  -4.933   2.451
  188   HD11  ILE  24          3HD1      ILE  24  -0.011  -7.397   3.319
  189   HD12  ILE  24          1HD1      ILE  24   0.226  -7.222   1.580
  190   HD13  ILE  24          2HD1      ILE  24  -1.348  -7.705   2.210
  191    H    ALA  25           H        ALA  25   1.053  -3.527   4.414
  192    HA   ALA  25           HA       ALA  25   2.761  -5.234   5.900
  193    HB1  ALA  25           3HB      ALA  25   2.240  -6.774   4.014
  194    HB2  ALA  25           1HB      ALA  25   3.951  -6.362   4.138
  195    HB3  ALA  25           2HB      ALA  25   2.947  -5.596   2.910
  196    H    LEU  26           H        LEU  26   4.988  -4.705   5.619
  197    HA   LEU  26           HA       LEU  26   5.315  -1.952   4.683
  198    HB2  LEU  26           1HB      LEU  26   5.628  -2.250   7.029
  199    HB3  LEU  26           2HB      LEU  26   6.757  -3.554   6.789
  200    HG   LEU  26           HG       LEU  26   7.733  -1.366   7.553
  201   HD11  LEU  26          1HD1      LEU  26   9.638  -1.382   6.039
  202   HD12  LEU  26          2HD1      LEU  26   8.731  -2.379   4.901
  203   HD13  LEU  26          3HD1      LEU  26   9.154  -3.014   6.492
  204   HD21  LEU  26          3HD2      LEU  26   7.931   0.467   6.036
  205   HD22  LEU  26          1HD2      LEU  26   6.223   0.052   6.193
  206   HD23  LEU  26          2HD2      LEU  26   7.124  -0.439   4.759
  207    H    CYS  27           H        CYS  27   6.831  -1.487   3.246
  208    HA   CYS  27           HA       CYS  27   7.985  -3.829   1.885
  209    HB2  CYS  27           1HB      CYS  27   6.735  -1.323   0.780
  210    HB3  CYS  27           2HB      CYS  27   7.722  -2.386  -0.214
  211    HG   CYS  27           HG       CYS  27   5.693  -4.425   1.119
  212    H    GLN  28           H        GLN  28   9.788  -3.291   0.397
  213    HA   GLN  28           HA       GLN  28  11.882  -1.964   1.761
  214    HB2  GLN  28           1HB      GLN  28  11.813  -2.762  -1.147
  215    HB3  GLN  28           2HB      GLN  28  13.241  -2.456  -0.179
  216    HG2  GLN  28           1HG      GLN  28  13.154  -4.767  -0.320
  217    HG3  GLN  28           2HG      GLN  28  12.465  -4.422   1.263
  218   HE21  GLN  28          1HE2      GLN  28  11.806  -5.487  -1.982
  219   HE22  GLN  28          2HE2      GLN  28  10.234  -6.143  -1.670
  220    H    LYS  29           H        LYS  29  13.240  -0.274   0.508
  221    HA   LYS  29           HA       LYS  29  13.454   1.854  -0.301
  222    HB2  LYS  29           1HB      LYS  29  10.727   1.400  -1.508
  223    HB3  LYS  29           2HB      LYS  29  11.824   2.707  -1.918
  224    HG2  LYS  29           1HG      LYS  29  13.331   1.239  -2.978
  225    HG3  LYS  29           2HG      LYS  29  12.542  -0.182  -2.290
  226    HD2  LYS  29           1HD      LYS  29  11.237   1.720  -4.233
  227    HD3  LYS  29           2HD      LYS  29  12.009   0.205  -4.692
  228    HE2  LYS  29           1HE      LYS  29  10.436  -0.994  -3.190
  229    HE3  LYS  29           2HE      LYS  29   9.613   0.535  -2.873
  230    HZ1  LYS  29           3HZ      LYS  29   9.900  -0.743  -5.541
  231    HZ2  LYS  29           1HZ      LYS  29   9.077   0.698  -5.216
  232    HZ3  LYS  29           2HZ      LYS  29   8.503  -0.765  -4.589
  233    H    SER  30           H        SER  30  11.680   0.946   2.077
  234    HA   SER  30           HA       SER  30  10.558   1.869   3.808
  235    HB2  SER  30           1HB      SER  30  12.213   3.750   3.518
  236    HB3  SER  30           2HB      SER  30  11.023   4.566   2.509
  237    HG   SER  30           HG       SER  30   9.840   5.014   4.225
  238    H    LEU  31           H        LEU  31   9.438   1.282   1.026
  239    HA   LEU  31           HA       LEU  31   7.001   2.793   0.912
  240    HB2  LEU  31           1HB      LEU  31   8.275   0.573  -0.579
  241    HB3  LEU  31           2HB      LEU  31   6.564   0.743  -0.746
  242    HG   LEU  31           HG       LEU  31   8.073   1.842  -2.489
  243   HD11  LEU  31          1HD1      LEU  31   5.698   2.242  -2.340
  244   HD12  LEU  31          2HD1      LEU  31   6.541   3.749  -2.700
  245   HD13  LEU  31          3HD1      LEU  31   5.954   3.433  -1.064
  246   HD21  LEU  31          3HD2      LEU  31   8.305   3.931  -0.335
  247   HD22  LEU  31          1HD2      LEU  31   8.871   4.068  -1.998
  248   HD23  LEU  31          2HD2      LEU  31   9.625   2.911  -0.902
  249    H    LYS  32           H        LYS  32   5.049   1.068   0.442
  250    HA   LYS  32           HA       LYS  32   4.851  -0.843   2.626
  251    HB2  LYS  32           1HB      LYS  32   3.433   1.783   2.563
  252    HB3  LYS  32           2HB      LYS  32   2.581   0.382   3.191
  253    HG2  LYS  32           1HG      LYS  32   3.810   0.299   5.075
  254    HG3  LYS  32           2HG      LYS  32   5.291   0.814   4.256
  255    HD2  LYS  32           1HD      LYS  32   4.469   3.116   4.203
  256    HD3  LYS  32           2HD      LYS  32   2.976   2.606   4.995
  257    HE2  LYS  32           1HE      LYS  32   4.173   1.979   6.976
  258    HE3  LYS  32           2HE      LYS  32   5.722   2.259   6.183
  259    HZ1  LYS  32           3HZ      LYS  32   3.690   4.343   6.774
  260    HZ2  LYS  32           1HZ      LYS  32   5.189   4.601   6.034
  261    HZ3  LYS  32           2HZ      LYS  32   5.116   4.086   7.642
  262    H    CYS  33           H        CYS  33   3.011  -2.230   2.454
  263    HA   CYS  33           HA       CYS  33   2.081  -2.432  -0.304
  264    HB2  CYS  33           1HB      CYS  33   3.035  -4.413   0.945
  265    HB3  CYS  33           2HB      CYS  33   1.600  -4.361   1.964
  266    HG   CYS  33           HG       CYS  33   1.421  -4.742  -1.426
  267    H    CYS  34           H        CYS  34   0.262  -1.464  -0.812
  268    HA   CYS  34           HA       CYS  34  -1.857  -1.311   1.221
  269    HB2  CYS  34           1HB      CYS  34  -1.390   0.457  -1.191
  270    HB3  CYS  34           2HB      CYS  34  -2.724   0.616  -0.055
  271    HG   CYS  34           HG       CYS  34   0.529   0.870   0.954
  272    H    ARG  35           H        ARG  35  -3.664  -2.401   0.866
  273    HA   ARG  35           HA       ARG  35  -4.077  -3.581  -1.795
  274    HB2  ARG  35           1HB      ARG  35  -5.374  -4.290   0.845
  275    HB3  ARG  35           2HB      ARG  35  -5.668  -5.107  -0.682
  276    HG2  ARG  35           1HG      ARG  35  -3.411  -5.907  -0.758
  277    HG3  ARG  35           2HG      ARG  35  -2.986  -4.963   0.666
  278    HD2  ARG  35           1HD      ARG  35  -4.553  -7.484   0.461
  279    HD3  ARG  35           2HD      ARG  35  -3.295  -7.046   1.588
  280    HE   ARG  35           HE       ARG  35  -5.510  -5.420   2.090
  281   HH11  ARG  35          1HH1      ARG  35  -4.577  -8.780   2.313
  282   HH12  ARG  35          2HH1      ARG  35  -5.668  -9.128   3.615
  283   HH21  ARG  35          1HH2      ARG  35  -6.960  -5.874   3.817
  284   HH22  ARG  35          2HH2      ARG  35  -7.011  -7.490   4.463
  285    H    THR  36           H        THR  36  -5.615  -2.823  -3.062
  286    HA   THR  36           HA       THR  36  -7.338  -0.705  -2.182
  287    HB   THR  36           HB       THR  36  -7.542  -2.170  -4.814
  288    HG1  THR  36           HG1      THR  36  -5.551  -0.452  -3.852
  289   HG21  THR  36          1HG2      THR  36  -9.326  -0.560  -4.267
  290   HG22  THR  36          2HG2      THR  36  -8.349  -0.015  -5.629
  291   HG23  THR  36          3HG2      THR  36  -8.112   0.699  -4.034
  292    H    ILE  37           H        ILE  37  -9.048  -1.104  -1.013
  293    HA   ILE  37           HA       ILE  37 -10.148  -3.693  -0.674
  294    HB   ILE  37           HB       ILE  37 -11.251  -1.032   0.221
  295   HG12  ILE  37          1HG1      ILE  37  -8.986  -1.258   0.990
  296   HG13  ILE  37          2HG1      ILE  37 -10.046  -1.603   2.347
  297   HG21  ILE  37          1HG2      ILE  37 -12.347  -2.356   1.975
  298   HG22  ILE  37          2HG2      ILE  37 -11.727  -3.834   1.239
  299   HG23  ILE  37          3HG2      ILE  37 -12.886  -2.831   0.365
  300   HD11  ILE  37          3HD1      ILE  37  -8.298  -3.201   2.391
  301   HD12  ILE  37          1HD1      ILE  37  -8.502  -3.560   0.676
  302   HD13  ILE  37          2HD1      ILE  37  -9.742  -4.038   1.830
  303    H    GLN  38           H        GLN  38 -11.065  -4.534  -2.393
  304    HA   GLN  38           HA       GLN  38 -13.347  -3.129  -3.608
  305    HB2  GLN  38           1HB      GLN  38 -11.792  -5.507  -4.662
  306    HB3  GLN  38           2HB      GLN  38 -13.077  -4.649  -5.503
  307    HG2  GLN  38           1HG      GLN  38 -11.725  -2.678  -5.685
  308    HG3  GLN  38           2HG      GLN  38 -10.469  -3.398  -4.680
  309   HE21  GLN  38          1HE2      GLN  38 -10.270  -2.344  -7.372
  310   HE22  GLN  38          2HE2      GLN  38  -9.712  -3.646  -8.368
  311    HA   PRO  39           HA       PRO  39 -15.998  -5.756  -1.187
  312    HB2  PRO  39           1HB      PRO  39 -17.673  -5.621  -3.661
  313    HB3  PRO  39           2HB      PRO  39 -18.133  -5.351  -1.975
  314    HG2  PRO  39           1HG      PRO  39 -17.785  -3.294  -3.620
  315    HG3  PRO  39           2HG      PRO  39 -17.241  -3.210  -1.935
  316    HD2  PRO  39           1HD      PRO  39 -15.644  -3.558  -4.426
  317    HD3  PRO  39           2HD      PRO  39 -15.223  -2.719  -2.921
  318    H    SER  40           H        SER  40 -15.541  -7.830  -0.934
  319    HA   SER  40           HA       SER  40 -15.622  -9.626  -3.262
  320    HB2  SER  40           1HB      SER  40 -13.492  -9.681  -1.106
  321    HB3  SER  40           2HB      SER  40 -13.573 -10.710  -2.535
  322    HG   SER  40           HG       SER  40 -13.361  -7.876  -2.636
  323    H    GLY  41           H        GLY  41 -15.792 -11.935  -2.595
  324    HA2  GLY  41           1HA      GLY  41 -17.486 -12.317  -0.296
  325    HA3  GLY  41           2HA      GLY  41 -16.869 -13.576  -1.365
  326    H    SER  42           H        SER  42 -16.783 -12.559   1.715
  327    HA   SER  42           HA       SER  42 -15.417 -12.789   3.504
  328    HB2  SER  42           1HB      SER  42 -15.126 -15.108   2.603
  329    HB3  SER  42           2HB      SER  42 -13.715 -14.546   1.712
  330    HG   SER  42           HG       SER  42 -12.847 -15.291   3.536
  331    H    ILE  43           H        ILE  43 -12.727 -12.785   3.858
  332    HA   ILE  43           HA       ILE  43 -10.871 -11.484   3.895
  333    HB   ILE  43           HB       ILE  43 -11.706 -10.409   1.194
  334   HG12  ILE  43          1HG1      ILE  43  -9.876 -12.736   1.854
  335   HG13  ILE  43          2HG1      ILE  43 -11.504 -12.887   1.200
  336   HG21  ILE  43          1HG2      ILE  43  -9.323  -9.890   0.947
  337   HG22  ILE  43          2HG2      ILE  43  -9.027 -10.480   2.582
  338   HG23  ILE  43          3HG2      ILE  43 -10.030  -9.053   2.328
  339   HD11  ILE  43          3HD1      ILE  43  -9.823 -13.172  -0.527
  340   HD12  ILE  43          1HD1      ILE  43  -9.167 -11.574  -0.169
  341   HD13  ILE  43          2HD1      ILE  43 -10.796 -11.732  -0.827
  342    H    ILE  44           H        ILE  44 -13.141  -9.365   2.128
  343    HA   ILE  44           HA       ILE  44 -13.706  -7.713   4.355
  344    HB   ILE  44           HB       ILE  44 -11.314  -7.088   4.007
  345   HG12  ILE  44          1HG1      ILE  44 -13.220  -4.834   3.343
  346   HG13  ILE  44          2HG1      ILE  44 -13.023  -5.513   4.953
  347   HG21  ILE  44          1HG2      ILE  44 -10.658  -5.817   2.043
  348   HG22  ILE  44          2HG2      ILE  44 -12.276  -5.991   1.367
  349   HG23  ILE  44          3HG2      ILE  44 -11.251  -7.413   1.576
  350   HD11  ILE  44          3HD1      ILE  44 -10.927  -4.080   3.341
  351   HD12  ILE  44          1HD1      ILE  44 -10.656  -4.833   4.912
  352   HD13  ILE  44          2HD1      ILE  44 -11.769  -3.477   4.764
  353    H    ASP  45           H        ASP  45 -15.073  -5.909   3.772
  354    HA   ASP  45           HA       ASP  45 -16.242  -6.168   1.082
  355    HB2  ASP  45           1HB      ASP  45 -17.567  -5.239   3.640
  356    HB3  ASP  45           2HB      ASP  45 -18.333  -5.289   2.059
  Start of MODEL   10
    1    H    PHE   1           1H       PHE   1   9.824 -13.032  -2.228
    2    HA   PHE   1           HA       PHE   1   7.575 -13.388  -1.481
    3    HB2  PHE   1           1HB      PHE   1   9.335 -14.080   0.019
    4    HB3  PHE   1           2HB      PHE   1   9.520 -12.443   0.634
    5    HD1  PHE   1           HD2      PHE   1   6.800 -14.975   0.236
    6    HD2  PHE   1           HD1      PHE   1   8.620 -12.014   2.692
    7    HE1  PHE   1           HE2      PHE   1   5.170 -15.455   2.017
    8    HE2  PHE   1           HE1      PHE   1   6.994 -12.486   4.476
    9    HZ   PHE   1           HZ       PHE   1   5.267 -14.210   4.139
   10    H    PHE   2           H        PHE   2   8.833 -10.234  -0.359
   11    HA   PHE   2           HA       PHE   2   6.588  -9.391   1.021
   12    HB2  PHE   2           1HB      PHE   2   8.631  -7.764  -0.487
   13    HB3  PHE   2           2HB      PHE   2   7.402  -7.053   0.551
   14    HD1  PHE   2           HD2      PHE   2   7.327  -8.723   2.872
   15    HD2  PHE   2           HD1      PHE   2  10.680  -7.561   0.522
   16    HE1  PHE   2           HE2      PHE   2   8.795  -9.041   4.819
   17    HE2  PHE   2           HE1      PHE   2  12.154  -7.877   2.465
   18    HZ   PHE   2           HZ       PHE   2  11.211  -8.617   4.617
   19    H    ASP   3           H        ASP   3   7.389  -8.482  -2.368
   20    HA   ASP   3           HA       ASP   3   4.669  -7.520  -2.594
   21    HB2  ASP   3           1HB      ASP   3   5.249  -6.594  -4.729
   22    HB3  ASP   3           2HB      ASP   3   6.435  -6.117  -3.526
   23    H    GLU   4           H        GLU   4   5.961 -10.453  -2.855
   24    HA   GLU   4           HA       GLU   4   4.354 -11.418  -5.035
   25    HB2  GLU   4           1HB      GLU   4   6.261 -12.744  -4.176
   26    HB3  GLU   4           2HB      GLU   4   5.435 -12.918  -2.633
   27    HG2  GLU   4           1HG      GLU   4   3.603 -14.098  -3.779
   28    HG3  GLU   4           2HG      GLU   4   4.504 -13.982  -5.290
   29    H    LYS   5           H        LYS   5   4.109 -11.191  -1.532
   30    HA   LYS   5           HA       LYS   5   1.427 -12.012  -1.277
   31    HB2  LYS   5           1HB      LYS   5   3.175 -11.654   0.562
   32    HB3  LYS   5           2HB      LYS   5   2.797  -9.944   0.440
   33    HG2  LYS   5           1HG      LYS   5   1.591 -10.927   2.280
   34    HG3  LYS   5           2HG      LYS   5   0.459 -10.437   1.018
   35    HD2  LYS   5           1HD      LYS   5   0.092 -12.651   0.330
   36    HD3  LYS   5           2HD      LYS   5   1.524 -13.241   1.175
   37    HE2  LYS   5           1HE      LYS   5  -0.502 -13.892   2.353
   38    HE3  LYS   5           2HE      LYS   5   0.450 -12.775   3.321
   39    HZ1  LYS   5           3HZ      LYS   5  -1.936 -12.048   1.712
   40    HZ2  LYS   5           1HZ      LYS   5  -1.034 -10.992   2.677
   41    HZ3  LYS   5           2HZ      LYS   5  -1.909 -12.251   3.386
   42    H    CYS   6           H        CYS   6   2.982  -8.948  -2.032
   43    HA   CYS   6           HA       CYS   6   0.724  -7.283  -1.972
   44    HB2  CYS   6           1HB      CYS   6   3.135  -6.560  -2.149
   45    HB3  CYS   6           2HB      CYS   6   3.107  -7.064  -3.834
   46    HG   CYS   6           HG       CYS   6   1.205  -5.175  -4.609
   47    H    ASN   7           H        ASN   7   2.064  -9.355  -4.492
   48    HA   ASN   7           HA       ASN   7   0.316  -8.593  -6.581
   49    HB2  ASN   7           1HB      ASN   7   2.483  -9.857  -6.819
   50    HB3  ASN   7           2HB      ASN   7   1.651 -11.279  -6.213
   51   HD21  ASN   7          1HD2      ASN   7   0.290 -12.405  -7.544
   52   HD22  ASN   7          2HD2      ASN   7   0.091 -12.043  -9.224
   53    H    LYS   8           H        LYS   8   0.198 -11.100  -4.123
   54    HA   LYS   8           HA       LYS   8  -2.076 -12.471  -4.916
   55    HB2  LYS   8           1HB      LYS   8  -0.987 -11.892  -2.162
   56    HB3  LYS   8           2HB      LYS   8  -2.264 -13.040  -2.492
   57    HG2  LYS   8           1HG      LYS   8   0.513 -13.203  -3.620
   58    HG3  LYS   8           2HG      LYS   8  -0.069 -14.107  -2.221
   59    HD2  LYS   8           1HD      LYS   8  -1.726 -15.222  -3.599
   60    HD3  LYS   8           2HD      LYS   8  -1.234 -14.270  -4.997
   61    HE2  LYS   8           1HE      LYS   8  -0.256 -16.475  -5.119
   62    HE3  LYS   8           2HE      LYS   8   1.005 -15.270  -4.870
   63    HZ1  LYS   8           3HZ      LYS   8   1.295 -17.257  -3.490
   64    HZ2  LYS   8           1HZ      LYS   8  -0.181 -16.944  -2.725
   65    HZ3  LYS   8           2HZ      LYS   8   1.105 -15.861  -2.555
   66    H    LEU   9           H        LEU   9  -1.764  -9.506  -3.016
   67    HA   LEU   9           HA       LEU   9  -4.650  -9.338  -2.691
   68    HB2  LEU   9           1HB      LEU   9  -2.358  -7.684  -1.672
   69    HB3  LEU   9           2HB      LEU   9  -4.011  -7.132  -1.535
   70    HG   LEU   9           HG       LEU   9  -3.418  -8.085   0.554
   71   HD11  LEU   9          1HD1      LEU   9  -5.021  -9.871   0.809
   72   HD12  LEU   9          2HD1      LEU   9  -5.045 -10.134  -0.933
   73   HD13  LEU   9          3HD1      LEU   9  -5.666  -8.625  -0.261
   74   HD21  LEU   9          3HD2      LEU   9  -1.484  -9.383  -0.234
   75   HD22  LEU   9          1HD2      LEU   9  -2.588 -10.590  -0.894
   76   HD23  LEU   9          2HD2      LEU   9  -2.531 -10.305   0.846
   77    H    LYS  10           H        LYS  10  -2.475  -8.545  -5.035
   78    HA   LYS  10           HA       LYS  10  -2.517  -7.283  -6.901
   79    HB2  LYS  10           1HB      LYS  10  -5.416  -7.220  -6.156
   80    HB3  LYS  10           2HB      LYS  10  -4.833  -6.217  -7.474
   81    HG2  LYS  10           1HG      LYS  10  -5.623  -8.189  -8.468
   82    HG3  LYS  10           2HG      LYS  10  -3.865  -8.313  -8.482
   83    HD2  LYS  10           1HD      LYS  10  -4.762 -10.435  -7.840
   84    HD3  LYS  10           2HD      LYS  10  -4.012  -9.704  -6.422
   85    HE2  LYS  10           1HE      LYS  10  -6.166  -9.044  -5.566
   86    HE3  LYS  10           2HE      LYS  10  -6.963  -9.601  -7.037
   87    HZ1  LYS  10           3HZ      LYS  10  -6.284 -11.854  -6.515
   88    HZ2  LYS  10           1HZ      LYS  10  -7.179 -11.198  -5.239
   89    HZ3  LYS  10           2HZ      LYS  10  -5.498 -11.324  -5.111
   90    H    GLY  11           H        GLY  11  -1.868  -6.124  -4.308
   91    HA2  GLY  11           1HA      GLY  11  -2.651  -3.321  -4.689
   92    HA3  GLY  11           2HA      GLY  11  -1.867  -3.988  -3.261
   93    H    THR  12           H        THR  12  -0.506  -1.995  -3.687
   94    HA   THR  12           HA       THR  12   1.863  -2.878  -5.096
   95    HB   THR  12           HB       THR  12   0.657  -1.687  -6.846
   96    HG1  THR  12           HG1      THR  12   2.502  -0.944  -7.503
   97   HG21  THR  12          1HG2      THR  12  -0.654  -0.168  -5.456
   98   HG22  THR  12          2HG2      THR  12   0.248   0.718  -6.685
   99   HG23  THR  12          3HG2      THR  12   0.816   0.698  -5.014
  100    H    CYS  13           H        CYS  13   3.731  -1.651  -4.590
  101    HA   CYS  13           HA       CYS  13   3.683  -0.830  -1.826
  102    HB2  CYS  13           1HB      CYS  13   6.069  -0.704  -3.673
  103    HB3  CYS  13           2HB      CYS  13   6.059  -0.800  -1.920
  104    HG   CYS  13           HG       CYS  13   4.929  -3.332  -3.924
  105    H    LYS  14           H        LYS  14   2.826   1.073  -1.458
  106    HA   LYS  14           HA       LYS  14   4.001   3.413  -2.789
  107    HB2  LYS  14           1HB      LYS  14   1.766   4.531  -2.599
  108    HB3  LYS  14           2HB      LYS  14   1.800   3.197  -3.744
  109    HG2  LYS  14           1HG      LYS  14   0.720   1.746  -2.146
  110    HG3  LYS  14           2HG      LYS  14   0.773   3.013  -0.921
  111    HD2  LYS  14           1HD      LYS  14  -1.444   2.878  -1.895
  112    HD3  LYS  14           2HD      LYS  14  -0.680   4.412  -2.318
  113    HE2  LYS  14           1HE      LYS  14  -0.190   3.631  -4.529
  114    HE3  LYS  14           2HE      LYS  14  -0.697   1.993  -4.119
  115    HZ1  LYS  14           3HZ      LYS  14  -2.954   2.784  -3.834
  116    HZ2  LYS  14           1HZ      LYS  14  -2.389   3.176  -5.380
  117    HZ3  LYS  14           2HZ      LYS  14  -2.476   4.369  -4.193
  118    H    ASN  15           H        ASN  15   3.500   5.444  -1.367
  119    HA   ASN  15           HA       ASN  15   4.354   4.727   1.296
  120    HB2  ASN  15           1HB      ASN  15   4.070   7.363  -0.137
  121    HB3  ASN  15           2HB      ASN  15   4.516   7.246   1.555
  122   HD21  ASN  15          1HD2      ASN  15   6.511   6.260   2.100
  123   HD22  ASN  15          2HD2      ASN  15   7.792   6.167   0.942
  124    H    ASN  16           H        ASN  16   1.766   6.682  -0.148
  125    HA   ASN  16           HA       ASN  16   0.259   6.486   2.370
  126    HB2  ASN  16           1HB      ASN  16  -0.037   8.387   0.031
  127    HB3  ASN  16           2HB      ASN  16  -1.080   8.374   1.449
  128   HD21  ASN  16          1HD2      ASN  16   2.142   8.999   0.272
  129   HD22  ASN  16          2HD2      ASN  16   2.644   9.983   1.606
  130    H    CYS  17           H        CYS  17  -1.625   5.395   2.440
  131    HA   CYS  17           HA       CYS  17  -2.350   3.728   0.246
  132    HB2  CYS  17           1HB      CYS  17  -3.971   4.316   2.728
  133    HB3  CYS  17           2HB      CYS  17  -4.114   2.915   1.677
  134    HG   CYS  17           HG       CYS  17  -1.136   2.572   2.431
  135    H    GLY  18           H        GLY  18  -3.892   3.981  -1.261
  136    HA2  GLY  18           1HA      GLY  18  -5.036   6.640  -1.527
  137    HA3  GLY  18           2HA      GLY  18  -4.995   5.391  -2.760
  138    H    LYS  19           H        LYS  19  -7.191   5.944  -3.162
  139    HA   LYS  19           HA       LYS  19  -9.304   5.817  -1.398
  140    HB2  LYS  19           1HB      LYS  19 -10.609   5.040  -3.524
  141    HB3  LYS  19           2HB      LYS  19  -9.896   6.643  -3.467
  142    HG2  LYS  19           1HG      LYS  19  -9.375   5.846  -5.594
  143    HG3  LYS  19           2HG      LYS  19  -7.895   5.607  -4.672
  144    HD2  LYS  19           1HD      LYS  19  -8.727   3.234  -4.264
  145    HD3  LYS  19           2HD      LYS  19  -9.918   3.557  -5.526
  146    HE2  LYS  19           1HE      LYS  19  -7.981   2.431  -6.454
  147    HE3  LYS  19           2HE      LYS  19  -8.104   4.068  -7.092
  148    HZ1  LYS  19           3HZ      LYS  19  -5.828   3.447  -6.463
  149    HZ2  LYS  19           1HZ      LYS  19  -6.316   3.258  -4.854
  150    HZ3  LYS  19           2HZ      LYS  19  -6.385   4.781  -5.591
  151    H    ASN  20           H        ASN  20 -10.191   4.306  -0.221
  152    HA   ASN  20           HA       ASN  20 -10.830   2.304   0.631
  153    HB2  ASN  20           1HB      ASN  20 -10.668   1.565  -2.287
  154    HB3  ASN  20           2HB      ASN  20 -11.182   0.418  -1.056
  155   HD21  ASN  20          1HD2      ASN  20 -13.211   0.241  -1.989
  156   HD22  ASN  20          2HD2      ASN  20 -14.400   1.491  -1.856
  157    H    GLU  21           H        GLU  21  -7.879   2.955   0.222
  158    HA   GLU  21           HA       GLU  21  -6.847   0.206   0.223
  159    HB2  GLU  21           1HB      GLU  21  -5.505   2.840  -0.371
  160    HB3  GLU  21           2HB      GLU  21  -4.625   1.330  -0.192
  161    HG2  GLU  21           1HG      GLU  21  -5.785   0.379  -2.078
  162    HG3  GLU  21           2HG      GLU  21  -6.805   1.811  -2.209
  163    H    GLU  22           H        GLU  22  -5.778  -0.598   1.916
  164    HA   GLU  22           HA       GLU  22  -5.039   1.238   4.082
  165    HB2  GLU  22           1HB      GLU  22  -5.556  -0.759   5.628
  166    HB3  GLU  22           2HB      GLU  22  -6.889   0.222   5.048
  167    HG2  GLU  22           1HG      GLU  22  -7.454  -1.449   3.409
  168    HG3  GLU  22           2HG      GLU  22  -6.046  -2.411   3.855
  169    H    LEU  23           H        LEU  23  -3.385   0.330   5.535
  170    HA   LEU  23           HA       LEU  23  -1.186  -0.574   3.934
  171    HB2  LEU  23           1HB      LEU  23  -1.415   1.035   6.112
  172    HB3  LEU  23           2HB      LEU  23  -0.900  -0.455   6.873
  173    HG   LEU  23           HG       LEU  23   1.161  -0.469   5.622
  174   HD11  LEU  23          1HD1      LEU  23   0.547   0.243   3.487
  175   HD12  LEU  23          2HD1      LEU  23   1.605   1.520   4.099
  176   HD13  LEU  23          3HD1      LEU  23  -0.144   1.752   4.092
  177   HD21  LEU  23          3HD2      LEU  23   0.557   2.296   6.658
  178   HD22  LEU  23          1HD2      LEU  23   2.164   1.625   6.382
  179   HD23  LEU  23          2HD2      LEU  23   1.116   0.927   7.616
  180    H    ILE  24           H        ILE  24  -0.559  -2.619   3.651
  181    HA   ILE  24           HA       ILE  24  -1.754  -4.644   5.416
  182    HB   ILE  24           HB       ILE  24  -2.163  -6.027   3.632
  183   HG12  ILE  24          1HG1      ILE  24  -0.593  -4.875   1.488
  184   HG13  ILE  24          2HG1      ILE  24   0.432  -5.327   2.846
  185   HG21  ILE  24          1HG2      ILE  24  -2.882  -4.627   1.676
  186   HG22  ILE  24          2HG2      ILE  24  -2.179  -3.242   2.505
  187   HG23  ILE  24          3HG2      ILE  24  -3.515  -4.123   3.240
  188   HD11  ILE  24          3HD1      ILE  24  -1.498  -7.122   1.403
  189   HD12  ILE  24          1HD1      ILE  24  -0.505  -7.580   2.788
  190   HD13  ILE  24          2HD1      ILE  24   0.261  -7.139   1.260
  191    H    ALA  25           H        ALA  25   1.233  -3.473   4.029
  192    HA   ALA  25           HA       ALA  25   2.746  -5.274   5.704
  193    HB1  ALA  25           3HB      ALA  25   2.238  -6.716   3.766
  194    HB2  ALA  25           1HB      ALA  25   3.963  -6.395   3.939
  195    HB3  ALA  25           2HB      ALA  25   3.028  -5.544   2.712
  196    H    LEU  26           H        LEU  26   4.968  -4.892   5.682
  197    HA   LEU  26           HA       LEU  26   5.635  -2.126   5.012
  198    HB2  LEU  26           1HB      LEU  26   6.839  -4.166   6.868
  199    HB3  LEU  26           2HB      LEU  26   7.573  -2.598   6.567
  200    HG   LEU  26           HG       LEU  26   4.837  -3.047   7.772
  201   HD11  LEU  26          1HD1      LEU  26   5.872  -2.273   9.853
  202   HD12  LEU  26          2HD1      LEU  26   7.442  -2.241   9.054
  203   HD13  LEU  26          3HD1      LEU  26   6.597  -3.773   9.275
  204   HD21  LEU  26          3HD2      LEU  26   4.929  -0.952   6.578
  205   HD22  LEU  26          1HD2      LEU  26   6.455  -0.536   7.357
  206   HD23  LEU  26          2HD2      LEU  26   4.977  -0.641   8.312
  207    H    CYS  27           H        CYS  27   6.669  -1.857   3.153
  208    HA   CYS  27           HA       CYS  27   8.124  -4.104   1.986
  209    HB2  CYS  27           1HB      CYS  27   7.115  -1.514   0.798
  210    HB3  CYS  27           2HB      CYS  27   7.991  -2.739  -0.109
  211    HG   CYS  27           HG       CYS  27   5.672  -3.563  -0.943
  212    H    GLN  28           H        GLN  28  10.105  -3.533   0.723
  213    HA   GLN  28           HA       GLN  28  11.903  -2.024   2.382
  214    HB2  GLN  28           1HB      GLN  28  12.381  -3.409  -0.250
  215    HB3  GLN  28           2HB      GLN  28  13.629  -2.745   0.788
  216    HG2  GLN  28           1HG      GLN  28  11.749  -4.976   1.528
  217    HG3  GLN  28           2HG      GLN  28  13.430  -5.167   1.035
  218   HE21  GLN  28          1HE2      GLN  28  15.061  -4.622   2.455
  219   HE22  GLN  28          2HE2      GLN  28  14.776  -4.308   4.132
  220    H    LYS  29           H        LYS  29  13.530  -0.577   1.112
  221    HA   LYS  29           HA       LYS  29  13.877   1.475   0.183
  222    HB2  LYS  29           1HB      LYS  29  11.463   0.775  -1.492
  223    HB3  LYS  29           2HB      LYS  29  12.501   2.166  -1.768
  224    HG2  LYS  29           1HG      LYS  29  14.368   0.730  -2.278
  225    HG3  LYS  29           2HG      LYS  29  13.423  -0.700  -1.859
  226    HD2  LYS  29           1HD      LYS  29  12.707   1.217  -4.075
  227    HD3  LYS  29           2HD      LYS  29  13.613  -0.277  -4.312
  228    HE2  LYS  29           1HE      LYS  29  10.826  -0.084  -3.163
  229    HE3  LYS  29           2HE      LYS  29  11.220  -0.540  -4.819
  230    HZ1  LYS  29           3HZ      LYS  29  10.813  -2.479  -3.451
  231    HZ2  LYS  29           1HZ      LYS  29  12.038  -2.023  -2.382
  232    HZ3  LYS  29           2HZ      LYS  29  12.422  -2.457  -3.967
  233    H    SER  30           H        SER  30  11.682   0.727   2.235
  234    HA   SER  30           HA       SER  30  10.577   1.867   3.833
  235    HB2  SER  30           1HB      SER  30  11.228   4.372   2.275
  236    HB3  SER  30           2HB      SER  30  10.624   4.300   3.931
  237    HG   SER  30           HG       SER  30  12.756   2.718   3.757
  238    H    LEU  31           H        LEU  31   9.564   1.372   0.807
  239    HA   LEU  31           HA       LEU  31   7.065   2.758   0.866
  240    HB2  LEU  31           1HB      LEU  31   8.187   0.487  -0.761
  241    HB3  LEU  31           2HB      LEU  31   6.500   0.927  -0.875
  242    HG   LEU  31           HG       LEU  31   7.928   1.883  -2.652
  243   HD11  LEU  31          1HD1      LEU  31   6.979   4.141  -2.537
  244   HD12  LEU  31          2HD1      LEU  31   6.572   3.873  -0.840
  245   HD13  LEU  31          3HD1      LEU  31   5.805   2.903  -2.097
  246   HD21  LEU  31          3HD2      LEU  31   9.354   3.792  -2.166
  247   HD22  LEU  31          1HD2      LEU  31   9.943   2.327  -1.382
  248   HD23  LEU  31          2HD2      LEU  31   9.090   3.548  -0.439
  249    H    LYS  32           H        LYS  32   4.976   1.511   0.852
  250    HA   LYS  32           HA       LYS  32   5.067  -0.881   2.561
  251    HB2  LYS  32           1HB      LYS  32   3.275   1.520   2.870
  252    HB3  LYS  32           2HB      LYS  32   2.846  -0.053   3.522
  253    HG2  LYS  32           1HG      LYS  32   3.771   0.993   5.336
  254    HG3  LYS  32           2HG      LYS  32   5.145   0.086   4.697
  255    HD2  LYS  32           1HD      LYS  32   5.863   2.133   3.476
  256    HD3  LYS  32           2HD      LYS  32   4.567   3.017   4.284
  257    HE2  LYS  32           1HE      LYS  32   5.549   2.549   6.442
  258    HE3  LYS  32           2HE      LYS  32   6.800   1.559   5.690
  259    HZ1  LYS  32           3HZ      LYS  32   6.420   4.482   5.344
  260    HZ2  LYS  32           1HZ      LYS  32   7.561   3.554   4.506
  261    HZ3  LYS  32           2HZ      LYS  32   7.671   3.717   6.186
  262    H    CYS  33           H        CYS  33   3.157  -2.249   2.334
  263    HA   CYS  33           HA       CYS  33   2.230  -2.168  -0.433
  264    HB2  CYS  33           1HB      CYS  33   3.169  -4.279   0.521
  265    HB3  CYS  33           2HB      CYS  33   1.821  -4.320   1.651
  266    HG   CYS  33           HG       CYS  33   1.559  -4.534  -1.752
  267    H    CYS  34           H        CYS  34   0.405  -1.141  -0.834
  268    HA   CYS  34           HA       CYS  34  -1.709  -1.193   1.213
  269    HB2  CYS  34           1HB      CYS  34  -1.357   0.739  -1.094
  270    HB3  CYS  34           2HB      CYS  34  -2.603   0.820   0.147
  271    HG   CYS  34           HG       CYS  34   0.645   0.907   1.126
  272    H    ARG  35           H        ARG  35  -3.610  -2.171   0.727
  273    HA   ARG  35           HA       ARG  35  -3.913  -3.103  -2.051
  274    HB2  ARG  35           1HB      ARG  35  -4.788  -5.147  -1.353
  275    HB3  ARG  35           2HB      ARG  35  -3.471  -4.863  -0.233
  276    HG2  ARG  35           1HG      ARG  35  -5.305  -3.896   1.316
  277    HG3  ARG  35           2HG      ARG  35  -6.420  -4.761   0.254
  278    HD2  ARG  35           1HD      ARG  35  -4.846  -6.777   0.647
  279    HD3  ARG  35           2HD      ARG  35  -4.255  -5.855   2.014
  280    HE   ARG  35           HE       ARG  35  -6.721  -7.279   1.830
  281   HH11  ARG  35          1HH1      ARG  35  -5.230  -4.494   3.335
  282   HH12  ARG  35          2HH1      ARG  35  -6.188  -4.594   4.778
  283   HH21  ARG  35          1HH2      ARG  35  -7.927  -7.466   3.739
  284   HH22  ARG  35          2HH2      ARG  35  -7.719  -6.302   5.011
  285    H    THR  36           H        THR  36  -5.874  -2.954  -3.023
  286    HA   THR  36           HA       THR  36  -7.605  -0.903  -1.969
  287    HB   THR  36           HB       THR  36  -8.052  -2.450  -4.520
  288    HG1  THR  36           HG1      THR  36  -5.913  -0.930  -3.890
  289   HG21  THR  36          1HG2      THR  36  -9.839  -0.941  -3.811
  290   HG22  THR  36          2HG2      THR  36  -9.045  -0.326  -5.261
  291   HG23  THR  36          3HG2      THR  36  -8.684   0.385  -3.688
  292    H    ILE  37           H        ILE  37  -9.108  -1.422  -0.564
  293    HA   ILE  37           HA       ILE  37 -10.210  -3.962  -0.116
  294    HB   ILE  37           HB       ILE  37 -11.126  -1.198   0.632
  295   HG12  ILE  37          1HG1      ILE  37  -8.943  -2.547   1.387
  296   HG13  ILE  37          2HG1      ILE  37  -9.813  -1.467   2.479
  297   HG21  ILE  37          1HG2      ILE  37 -13.075  -2.658   0.630
  298   HG22  ILE  37          2HG2      ILE  37 -12.591  -2.282   2.284
  299   HG23  ILE  37          3HG2      ILE  37 -12.199  -3.852   1.588
  300   HD11  ILE  37          3HD1      ILE  37  -9.138  -3.714   3.376
  301   HD12  ILE  37          1HD1      ILE  37 -10.342  -4.401   2.282
  302   HD13  ILE  37          2HD1      ILE  37 -10.844  -3.291   3.560
  303    H    GLN  38           H        GLN  38 -11.402  -5.038  -1.499
  304    HA   GLN  38           HA       GLN  38 -13.333  -3.570  -3.158
  305    HB2  GLN  38           1HB      GLN  38 -11.935  -6.193  -3.690
  306    HB3  GLN  38           2HB      GLN  38 -13.190  -5.510  -4.715
  307    HG2  GLN  38           1HG      GLN  38 -11.790  -3.554  -5.127
  308    HG3  GLN  38           2HG      GLN  38 -10.529  -4.243  -4.105
  309   HE21  GLN  38          1HE2      GLN  38 -12.208  -4.468  -7.131
  310   HE22  GLN  38          2HE2      GLN  38 -11.075  -5.510  -7.915
  311    HA   PRO  39           HA       PRO  39 -16.435  -5.652  -0.735
  312    HB2  PRO  39           1HB      PRO  39 -18.276  -4.845  -2.876
  313    HB3  PRO  39           2HB      PRO  39 -18.276  -4.400  -1.169
  314    HG2  PRO  39           1HG      PRO  39 -17.613  -2.640  -3.079
  315    HG3  PRO  39           2HG      PRO  39 -16.827  -2.634  -1.489
  316    HD2  PRO  39           1HD      PRO  39 -15.829  -3.732  -4.093
  317    HD3  PRO  39           2HD      PRO  39 -14.961  -2.806  -2.848
  318    H    SER  40           H        SER  40 -16.600  -7.784  -0.766
  319    HA   SER  40           HA       SER  40 -17.895  -9.101  -2.994
  320    HB2  SER  40           1HB      SER  40 -15.141  -9.959  -2.062
  321    HB3  SER  40           2HB      SER  40 -16.143 -10.823  -3.226
  322    HG   SER  40           HG       SER  40 -15.958  -8.300  -4.022
  323    H    GLY  41           H        GLY  41 -17.323 -11.758  -2.112
  324    HA2  GLY  41           1HA      GLY  41 -19.155 -12.070  -0.004
  325    HA3  GLY  41           2HA      GLY  41 -18.041 -13.301  -0.573
  326    H    SER  42           H        SER  42 -18.966 -11.777   2.098
  327    HA   SER  42           HA       SER  42 -18.096 -11.378   4.158
  328    HB2  SER  42           1HB      SER  42 -17.059 -13.695   3.683
  329    HB3  SER  42           2HB      SER  42 -15.576 -12.813   3.304
  330    HG   SER  42           HG       SER  42 -16.992 -12.739   5.768
  331    H    ILE  43           H        ILE  43 -15.159 -11.136   4.600
  332    HA   ILE  43           HA       ILE  43 -14.827  -8.374   3.856
  333    HB   ILE  43           HB       ILE  43 -12.553  -8.713   4.958
  334   HG12  ILE  43          1HG1      ILE  43 -13.747 -11.248   6.039
  335   HG13  ILE  43          2HG1      ILE  43 -12.803 -11.289   4.553
  336   HG21  ILE  43          1HG2      ILE  43 -15.047  -9.294   6.554
  337   HG22  ILE  43          2HG2      ILE  43 -14.431  -7.700   6.124
  338   HG23  ILE  43          3HG2      ILE  43 -13.514  -8.732   7.220
  339   HD11  ILE  43          3HD1      ILE  43 -11.861 -10.337   7.255
  340   HD12  ILE  43          1HD1      ILE  43 -10.900 -10.328   5.777
  341   HD13  ILE  43          2HD1      ILE  43 -11.436 -11.857   6.470
  342    H    ILE  44           H        ILE  44 -12.432  -7.857   3.151
  343    HA   ILE  44           HA       ILE  44 -11.988  -9.008   0.569
  344    HB   ILE  44           HB       ILE  44 -11.496  -6.679   0.862
  345   HG12  ILE  44          1HG1      ILE  44  -8.824  -8.090   0.712
  346   HG13  ILE  44          2HG1      ILE  44  -9.954  -7.972  -0.633
  347   HG21  ILE  44          1HG2      ILE  44  -9.578  -6.020   2.396
  348   HG22  ILE  44          2HG2      ILE  44  -9.791  -7.605   3.143
  349   HG23  ILE  44          3HG2      ILE  44 -11.117  -6.441   3.148
  350   HD11  ILE  44          3HD1      ILE  44  -8.027  -6.310  -0.558
  351   HD12  ILE  44          1HD1      ILE  44  -8.900  -5.520   0.761
  352   HD13  ILE  44          2HD1      ILE  44  -9.642  -5.664  -0.837
  353    H    ASP  45           H        ASP  45 -10.796 -10.758   0.113
  354    HA   ASP  45           HA       ASP  45  -9.257 -11.965   2.285
  355    HB2  ASP  45           1HB      ASP  45  -9.346 -14.041   1.006
  356    HB3  ASP  45           2HB      ASP  45 -10.962 -13.381   1.207
  Start of MODEL   11
    1    H    PHE   1           1H       PHE   1  10.706 -10.567  -1.248
    2    HA   PHE   1           HA       PHE   1   8.899 -12.753  -0.417
    3    HB2  PHE   1           1HB      PHE   1  10.959 -12.717   0.901
    4    HB3  PHE   1           2HB      PHE   1  10.755 -10.995   1.206
    5    HD1  PHE   1           HD1      PHE   1   9.355 -14.340   1.887
    6    HD2  PHE   1           HD2      PHE   1   9.350 -10.217   2.942
    7    HE1  PHE   1           HE1      PHE   1   8.054 -14.862   3.909
    8    HE2  PHE   1           HE2      PHE   1   8.049 -10.732   4.964
    9    HZ   PHE   1           HZ       PHE   1   7.400 -13.057   5.449
   10    H    PHE   2           H        PHE   2   9.667  -9.280  -0.067
   11    HA   PHE   2           HA       PHE   2   7.339  -8.670   1.368
   12    HB2  PHE   2           1HB      PHE   2   9.187  -6.910  -0.238
   13    HB3  PHE   2           2HB      PHE   2   7.876  -6.287   0.759
   14    HD1  PHE   2           HD1      PHE   2   7.955  -6.516   3.194
   15    HD2  PHE   2           HD2      PHE   2  11.204  -7.738   0.742
   16    HE1  PHE   2           HE1      PHE   2   9.417  -6.575   5.171
   17    HE2  PHE   2           HE2      PHE   2  12.672  -7.806   2.714
   18    HZ   PHE   2           HZ       PHE   2  11.780  -7.222   4.932
   19    H    ASP   3           H        ASP   3   8.028  -8.349  -2.123
   20    HA   ASP   3           HA       ASP   3   5.268  -7.537  -2.489
   21    HB2  ASP   3           1HB      ASP   3   5.770  -7.083  -4.785
   22    HB3  ASP   3           2HB      ASP   3   6.978  -6.327  -3.760
   23    H    GLU   4           H        GLU   4   6.810 -10.397  -2.229
   24    HA   GLU   4           HA       GLU   4   5.300 -11.974  -4.045
   25    HB2  GLU   4           1HB      GLU   4   7.260 -12.815  -2.704
   26    HB3  GLU   4           2HB      GLU   4   6.261 -12.729  -1.265
   27    HG2  GLU   4           1HG      GLU   4   5.529 -14.419  -3.636
   28    HG3  GLU   4           2HG      GLU   4   6.556 -15.004  -2.331
   29    H    LYS   5           H        LYS   5   4.870 -10.880  -0.738
   30    HA   LYS   5           HA       LYS   5   2.208 -11.735  -0.399
   31    HB2  LYS   5           1HB      LYS   5   3.785 -11.008   1.413
   32    HB3  LYS   5           2HB      LYS   5   3.567  -9.354   0.865
   33    HG2  LYS   5           1HG      LYS   5   2.187  -9.770   2.794
   34    HG3  LYS   5           2HG      LYS   5   1.169  -9.518   1.375
   35    HD2  LYS   5           1HD      LYS   5   0.769 -11.872   1.163
   36    HD3  LYS   5           2HD      LYS   5   1.954 -12.236   2.419
   37    HE2  LYS   5           1HE      LYS   5   0.566 -11.103   4.071
   38    HE3  LYS   5           2HE      LYS   5  -0.604 -10.688   2.821
   39    HZ1  LYS   5           3HZ      LYS   5  -1.280 -12.621   4.118
   40    HZ2  LYS   5           1HZ      LYS   5   0.114 -13.451   3.638
   41    HZ3  LYS   5           2HZ      LYS   5  -1.054 -13.023   2.492
   42    H    CYS   6           H        CYS   6   3.640  -8.702  -1.576
   43    HA   CYS   6           HA       CYS   6   1.290  -7.202  -1.773
   44    HB2  CYS   6           1HB      CYS   6   3.779  -6.482  -2.084
   45    HB3  CYS   6           2HB      CYS   6   3.552  -6.952  -3.760
   46    HG   CYS   6           HG       CYS   6   1.580  -5.091  -4.305
   47    H    ASN   7           H        ASN   7   2.903  -9.203  -4.218
   48    HA   ASN   7           HA       ASN   7   1.146  -8.843  -6.359
   49    HB2  ASN   7           1HB      ASN   7   3.419 -10.019  -6.293
   50    HB3  ASN   7           2HB      ASN   7   2.562 -11.429  -5.696
   51   HD21  ASN   7          1HD2      ASN   7   4.101 -11.101  -8.109
   52   HD22  ASN   7          2HD2      ASN   7   3.043 -11.469  -9.426
   53    H    LYS   8           H        LYS   8   1.087 -11.070  -3.665
   54    HA   LYS   8           HA       LYS   8  -0.991 -12.737  -4.598
   55    HB2  LYS   8           1HB      LYS   8   0.785 -13.198  -2.832
   56    HB3  LYS   8           2HB      LYS   8  -0.234 -12.298  -1.720
   57    HG2  LYS   8           1HG      LYS   8  -1.738 -13.963  -1.536
   58    HG3  LYS   8           2HG      LYS   8  -1.553 -14.466  -3.219
   59    HD2  LYS   8           1HD      LYS   8  -0.705 -16.171  -1.681
   60    HD3  LYS   8           2HD      LYS   8   0.582 -15.507  -2.689
   61    HE2  LYS   8           1HE      LYS   8   1.092 -13.941  -0.765
   62    HE3  LYS   8           2HE      LYS   8   0.007 -14.932   0.208
   63    HZ1  LYS   8           3HZ      LYS   8   2.201 -15.712   0.553
   64    HZ2  LYS   8           1HZ      LYS   8   2.530 -15.777  -1.107
   65    HZ3  LYS   8           2HZ      LYS   8   1.430 -16.864  -0.411
   66    H    LEU   9           H        LEU   9  -0.999  -9.707  -2.847
   67    HA   LEU   9           HA       LEU   9  -3.880  -9.936  -2.378
   68    HB2  LEU   9           1HB      LEU   9  -1.801  -7.994  -1.420
   69    HB3  LEU   9           2HB      LEU   9  -3.506  -7.620  -1.307
   70    HG   LEU   9           HG       LEU   9  -2.824  -8.429   0.812
   71   HD11  LEU   9          1HD1      LEU   9  -4.996  -9.242   0.013
   72   HD12  LEU   9          2HD1      LEU   9  -4.225 -10.361   1.137
   73   HD13  LEU   9          3HD1      LEU   9  -4.211 -10.699  -0.593
   74   HD21  LEU   9          3HD2      LEU   9  -1.721 -10.866  -0.563
   75   HD22  LEU   9          1HD2      LEU   9  -1.698 -10.528   1.168
   76   HD23  LEU   9          2HD2      LEU   9  -0.757  -9.522   0.059
   77    H    LYS  10           H        LYS  10  -1.855  -8.941  -4.768
   78    HA   LYS  10           HA       LYS  10  -2.110  -7.747  -6.674
   79    HB2  LYS  10           1HB      LYS  10  -5.007  -7.682  -5.812
   80    HB3  LYS  10           2HB      LYS  10  -4.438  -6.992  -7.322
   81    HG2  LYS  10           1HG      LYS  10  -5.286  -9.095  -7.884
   82    HG3  LYS  10           2HG      LYS  10  -3.536  -9.300  -7.867
   83    HD2  LYS  10           1HD      LYS  10  -3.676 -10.269  -5.624
   84    HD3  LYS  10           2HD      LYS  10  -5.427 -10.058  -5.641
   85    HE2  LYS  10           1HE      LYS  10  -3.834 -11.768  -7.543
   86    HE3  LYS  10           2HE      LYS  10  -4.785 -12.357  -6.183
   87    HZ1  LYS  10           3HZ      LYS  10  -6.768 -11.441  -7.244
   88    HZ2  LYS  10           1HZ      LYS  10  -6.005 -12.578  -8.238
   89    HZ3  LYS  10           2HZ      LYS  10  -5.844 -10.928  -8.562
   90    H    GLY  11           H        GLY  11  -1.461  -6.541  -4.113
   91    HA2  GLY  11           1HA      GLY  11  -2.573  -3.841  -4.368
   92    HA3  GLY  11           2HA      GLY  11  -1.673  -4.460  -2.989
   93    H    THR  12           H        THR  12  -0.800  -2.147  -3.641
   94    HA   THR  12           HA       THR  12   1.580  -2.618  -5.319
   95    HB   THR  12           HB       THR  12   0.299   0.087  -5.029
   96    HG1  THR  12           HG1      THR  12  -0.432  -2.057  -6.717
   97   HG21  THR  12          1HG2      THR  12   1.446   0.515  -7.158
   98   HG22  THR  12          2HG2      THR  12   2.070  -1.133  -7.149
   99   HG23  THR  12          3HG2      THR  12   2.579   0.008  -5.905
  100    H    CYS  13           H        CYS  13   3.513  -1.656  -4.581
  101    HA   CYS  13           HA       CYS  13   3.524  -0.971  -1.756
  102    HB2  CYS  13           1HB      CYS  13   5.937  -0.923  -3.574
  103    HB3  CYS  13           2HB      CYS  13   5.882  -1.133  -1.834
  104    HG   CYS  13           HG       CYS  13   4.159  -3.580  -3.088
  105    H    LYS  14           H        LYS  14   2.731   1.011  -1.437
  106    HA   LYS  14           HA       LYS  14   3.952   3.212  -2.956
  107    HB2  LYS  14           1HB      LYS  14   1.803   4.438  -2.737
  108    HB3  LYS  14           2HB      LYS  14   1.670   2.985  -3.718
  109    HG2  LYS  14           1HG      LYS  14   0.674   1.792  -1.853
  110    HG3  LYS  14           2HG      LYS  14   0.854   3.217  -0.829
  111    HD2  LYS  14           1HD      LYS  14  -1.423   3.075  -1.621
  112    HD3  LYS  14           2HD      LYS  14  -0.629   4.465  -2.361
  113    HE2  LYS  14           1HE      LYS  14  -0.262   3.169  -4.401
  114    HE3  LYS  14           2HE      LYS  14  -1.039   1.771  -3.658
  115    HZ1  LYS  14           3HZ      LYS  14  -2.334   4.382  -4.213
  116    HZ2  LYS  14           1HZ      LYS  14  -3.087   3.052  -3.484
  117    HZ3  LYS  14           2HZ      LYS  14  -2.564   2.961  -5.092
  118    H    ASN  15           H        ASN  15   3.548   5.364  -1.704
  119    HA   ASN  15           HA       ASN  15   4.595   4.902   0.954
  120    HB2  ASN  15           1HB      ASN  15   4.351   7.327  -0.804
  121    HB3  ASN  15           2HB      ASN  15   4.766   7.473   0.895
  122   HD21  ASN  15          1HD2      ASN  15   5.819   6.467  -2.234
  123   HD22  ASN  15          2HD2      ASN  15   7.473   6.196  -1.819
  124    H    ASN  16           H        ASN  16   1.962   6.789  -0.530
  125    HA   ASN  16           HA       ASN  16   0.565   6.698   2.063
  126    HB2  ASN  16           1HB      ASN  16  -0.643   8.739   1.291
  127    HB3  ASN  16           2HB      ASN  16   1.089   8.980   1.466
  128   HD21  ASN  16          1HD2      ASN  16   2.374   9.112  -0.412
  129   HD22  ASN  16          2HD2      ASN  16   1.686   9.585  -1.927
  130    H    CYS  17           H        CYS  17  -1.339   5.688   2.170
  131    HA   CYS  17           HA       CYS  17  -2.272   4.197  -0.087
  132    HB2  CYS  17           1HB      CYS  17  -3.758   4.543   2.512
  133    HB3  CYS  17           2HB      CYS  17  -3.796   3.174   1.410
  134    HG   CYS  17           HG       CYS  17  -1.460   2.068   2.134
  135    H    GLY  18           H        GLY  18  -4.247   4.380  -1.160
  136    HA2  GLY  18           1HA      GLY  18  -5.436   7.073  -1.018
  137    HA3  GLY  18           2HA      GLY  18  -5.388   6.063  -2.454
  138    H    LYS  19           H        LYS  19  -7.633   6.413  -2.654
  139    HA   LYS  19           HA       LYS  19  -9.600   5.927  -0.797
  140    HB2  LYS  19           1HB      LYS  19 -11.085   5.480  -2.771
  141    HB3  LYS  19           2HB      LYS  19 -10.168   6.974  -2.857
  142    HG2  LYS  19           1HG      LYS  19  -9.855   6.224  -4.974
  143    HG3  LYS  19           2HG      LYS  19  -8.479   5.444  -4.201
  144    HD2  LYS  19           1HD      LYS  19  -9.946   3.415  -3.891
  145    HD3  LYS  19           2HD      LYS  19 -11.135   4.214  -4.920
  146    HE2  LYS  19           1HE      LYS  19  -8.307   3.503  -5.694
  147    HE3  LYS  19           2HE      LYS  19  -9.761   2.646  -6.194
  148    HZ1  LYS  19           3HZ      LYS  19  -9.153   5.479  -6.843
  149    HZ2  LYS  19           1HZ      LYS  19 -10.486   4.592  -7.385
  150    HZ3  LYS  19           2HZ      LYS  19  -8.929   4.175  -7.893
  151    H    ASN  20           H        ASN  20 -10.396   4.252   0.191
  152    HA   ASN  20           HA       ASN  20 -11.004   2.156   0.770
  153    HB2  ASN  20           1HB      ASN  20 -10.859   1.726  -2.216
  154    HB3  ASN  20           2HB      ASN  20 -11.558   0.577  -1.081
  155   HD21  ASN  20          1HD2      ASN  20 -13.507   1.066  -0.078
  156   HD22  ASN  20          2HD2      ASN  20 -14.548   2.318  -0.661
  157    H    GLU  21           H        GLU  21  -8.101   2.769   0.650
  158    HA   GLU  21           HA       GLU  21  -7.123   0.031   0.203
  159    HB2  GLU  21           1HB      GLU  21  -5.688   2.680   0.158
  160    HB3  GLU  21           2HB      GLU  21  -4.826   1.153   0.259
  161    HG2  GLU  21           1HG      GLU  21  -5.909   0.462  -1.859
  162    HG3  GLU  21           2HG      GLU  21  -6.632   2.068  -1.965
  163    H    GLU  22           H        GLU  22  -5.765  -0.935   1.675
  164    HA   GLU  22           HA       GLU  22  -5.580   0.328   4.328
  165    HB2  GLU  22           1HB      GLU  22  -5.852  -1.886   5.353
  166    HB3  GLU  22           2HB      GLU  22  -7.265  -1.459   4.397
  167    HG2  GLU  22           1HG      GLU  22  -6.588  -2.911   2.628
  168    HG3  GLU  22           2HG      GLU  22  -5.035  -3.200   3.394
  169    H    LEU  23           H        LEU  23  -3.716  -0.322   5.564
  170    HA   LEU  23           HA       LEU  23  -1.452  -1.017   3.870
  171    HB2  LEU  23           1HB      LEU  23  -1.639   0.865   5.751
  172    HB3  LEU  23           2HB      LEU  23  -1.151  -0.472   6.774
  173    HG   LEU  23           HG       LEU  23   0.916  -0.743   5.540
  174   HD11  LEU  23          1HD1      LEU  23   1.480   0.743   3.693
  175   HD12  LEU  23          2HD1      LEU  23  -0.121   1.464   3.775
  176   HD13  LEU  23          3HD1      LEU  23   0.067  -0.227   3.319
  177   HD21  LEU  23          3HD2      LEU  23   1.992   1.335   6.098
  178   HD22  LEU  23          1HD2      LEU  23   0.794   0.963   7.334
  179   HD23  LEU  23          2HD2      LEU  23   0.445   2.180   6.106
  180    H    ILE  24           H        ILE  24  -0.715  -3.026   3.778
  181    HA   ILE  24           HA       ILE  24  -1.826  -4.925   5.740
  182    HB   ILE  24           HB       ILE  24  -2.337  -6.430   4.059
  183   HG12  ILE  24          1HG1      ILE  24  -1.143  -5.516   1.665
  184   HG13  ILE  24          2HG1      ILE  24   0.126  -5.497   2.886
  185   HG21  ILE  24          1HG2      ILE  24  -3.755  -4.567   3.751
  186   HG22  ILE  24          2HG2      ILE  24  -3.272  -5.128   2.150
  187   HG23  ILE  24          3HG2      ILE  24  -2.519  -3.695   2.844
  188   HD11  ILE  24          3HD1      ILE  24   0.014  -7.611   1.643
  189   HD12  ILE  24          1HD1      ILE  24  -1.620  -7.860   2.260
  190   HD13  ILE  24          2HD1      ILE  24  -0.252  -7.821   3.374
  191    H    ALA  25           H        ALA  25   1.045  -3.791   4.228
  192    HA   ALA  25           HA       ALA  25   2.680  -5.450   5.897
  193    HB1  ALA  25           3HB      ALA  25   3.870  -6.631   4.164
  194    HB2  ALA  25           1HB      ALA  25   2.883  -5.874   2.916
  195    HB3  ALA  25           2HB      ALA  25   2.153  -7.014   4.046
  196    H    LEU  26           H        LEU  26   4.907  -4.881   5.774
  197    HA   LEU  26           HA       LEU  26   5.262  -2.156   4.743
  198    HB2  LEU  26           1HB      LEU  26   6.412  -3.587   7.119
  199    HB3  LEU  26           2HB      LEU  26   7.125  -2.107   6.507
  200    HG   LEU  26           HG       LEU  26   5.745  -1.566   8.387
  201   HD11  LEU  26          1HD1      LEU  26   4.227  -0.794   5.904
  202   HD12  LEU  26          2HD1      LEU  26   5.695  -0.007   6.481
  203   HD13  LEU  26          3HD1      LEU  26   4.227   0.044   7.456
  204   HD21  LEU  26          3HD2      LEU  26   4.318  -3.530   8.422
  205   HD22  LEU  26          1HD2      LEU  26   3.488  -2.971   6.970
  206   HD23  LEU  26          2HD2      LEU  26   3.353  -2.057   8.471
  207    H    CYS  27           H        CYS  27   6.623  -1.918   3.119
  208    HA   CYS  27           HA       CYS  27   8.322  -4.171   2.347
  209    HB2  CYS  27           1HB      CYS  27   7.264  -1.771   0.846
  210    HB3  CYS  27           2HB      CYS  27   8.414  -2.894   0.139
  211    HG   CYS  27           HG       CYS  27   6.199  -3.823  -0.994
  212    H    GLN  28           H        GLN  28  10.288  -3.172   0.916
  213    HA   GLN  28           HA       GLN  28  11.841  -1.575   2.786
  214    HB2  GLN  28           1HB      GLN  28  12.684  -2.849   0.182
  215    HB3  GLN  28           2HB      GLN  28  13.748  -2.056   1.326
  216    HG2  GLN  28           1HG      GLN  28  13.146  -3.748   3.015
  217    HG3  GLN  28           2HG      GLN  28  12.181  -4.578   1.795
  218   HE21  GLN  28          1HE2      GLN  28  13.455  -6.426   1.966
  219   HE22  GLN  28          2HE2      GLN  28  15.046  -6.509   1.297
  220    H    LYS  29           H        LYS  29  13.368   0.039   1.658
  221    HA   LYS  29           HA       LYS  29  13.682   2.010   0.559
  222    HB2  LYS  29           1HB      LYS  29  11.569   0.915  -1.285
  223    HB3  LYS  29           2HB      LYS  29  12.517   2.357  -1.608
  224    HG2  LYS  29           1HG      LYS  29  14.548   1.048  -1.690
  225    HG3  LYS  29           2HG      LYS  29  13.657  -0.407  -1.243
  226    HD2  LYS  29           1HD      LYS  29  13.206   1.211  -3.751
  227    HD3  LYS  29           2HD      LYS  29  14.123  -0.294  -3.660
  228    HE2  LYS  29           1HE      LYS  29  12.100  -1.452  -2.865
  229    HE3  LYS  29           2HE      LYS  29  11.193   0.051  -3.013
  230    HZ1  LYS  29           3HZ      LYS  29  10.872  -1.390  -4.925
  231    HZ2  LYS  29           1HZ      LYS  29  12.530  -1.374  -5.248
  232    HZ3  LYS  29           2HZ      LYS  29  11.630   0.050  -5.380
  233    H    SER  30           H        SER  30  11.380   1.398   2.475
  234    HA   SER  30           HA       SER  30  10.069   2.718   3.774
  235    HB2  SER  30           1HB      SER  30  11.447   4.672   3.110
  236    HB3  SER  30           2HB      SER  30  10.412   4.900   1.701
  237    HG   SER  30           HG       SER  30   8.646   4.993   3.354
  238    H    LEU  31           H        LEU  31   9.431   1.686   0.663
  239    HA   LEU  31           HA       LEU  31   6.702   2.489   0.486
  240    HB2  LEU  31           1HB      LEU  31   8.300   0.298  -0.844
  241    HB3  LEU  31           2HB      LEU  31   6.596   0.532  -1.139
  242    HG   LEU  31           HG       LEU  31   7.903   1.517  -2.902
  243   HD11  LEU  31          1HD1      LEU  31   6.967   3.771  -2.888
  244   HD12  LEU  31          2HD1      LEU  31   6.621   3.613  -1.164
  245   HD13  LEU  31          3HD1      LEU  31   5.801   2.573  -2.330
  246   HD21  LEU  31          3HD2      LEU  31   9.152   3.247  -0.793
  247   HD22  LEU  31          1HD2      LEU  31   9.350   3.446  -2.534
  248   HD23  LEU  31          2HD2      LEU  31   9.958   1.996  -1.738
  249    H    LYS  32           H        LYS  32   4.852   1.237   0.963
  250    HA   LYS  32           HA       LYS  32   5.266  -1.401   2.062
  251    HB2  LYS  32           1HB      LYS  32   3.634  -0.889   3.890
  252    HB3  LYS  32           2HB      LYS  32   5.193  -0.106   3.993
  253    HG2  LYS  32           1HG      LYS  32   3.007   1.425   2.751
  254    HG3  LYS  32           2HG      LYS  32   2.972   1.166   4.503
  255    HD2  LYS  32           1HD      LYS  32   5.295   2.052   4.613
  256    HD3  LYS  32           2HD      LYS  32   5.186   2.441   2.895
  257    HE2  LYS  32           1HE      LYS  32   3.353   3.953   3.313
  258    HE3  LYS  32           2HE      LYS  32   3.322   3.495   5.016
  259    HZ1  LYS  32           3HZ      LYS  32   5.637   4.782   3.683
  260    HZ2  LYS  32           1HZ      LYS  32   5.457   4.479   5.334
  261    HZ3  LYS  32           2HZ      LYS  32   4.469   5.619   4.570
  262    H    CYS  33           H        CYS  33   3.147  -2.599   2.281
  263    HA   CYS  33           HA       CYS  33   2.089  -2.436  -0.403
  264    HB2  CYS  33           1HB      CYS  33   2.882  -4.579   0.654
  265    HB3  CYS  33           2HB      CYS  33   1.477  -4.499   1.711
  266    HG   CYS  33           HG       CYS  33   1.289  -4.674  -1.702
  267    H    CYS  34           H        CYS  34   0.332  -1.388  -0.881
  268    HA   CYS  34           HA       CYS  34  -1.867  -1.314   1.077
  269    HB2  CYS  34           1HB      CYS  34  -1.379   0.641  -1.177
  270    HB3  CYS  34           2HB      CYS  34  -2.568   0.782   0.115
  271    HG   CYS  34           HG       CYS  34   0.735   0.654   0.908
  272    H    ARG  35           H        ARG  35  -3.736  -2.248   0.464
  273    HA   ARG  35           HA       ARG  35  -3.975  -3.038  -2.368
  274    HB2  ARG  35           1HB      ARG  35  -5.298  -4.993  -1.577
  275    HB3  ARG  35           2HB      ARG  35  -3.632  -5.012  -1.026
  276    HG2  ARG  35           1HG      ARG  35  -4.446  -4.049   1.144
  277    HG3  ARG  35           2HG      ARG  35  -6.086  -4.335   0.566
  278    HD2  ARG  35           1HD      ARG  35  -4.090  -6.551   0.537
  279    HD3  ARG  35           2HD      ARG  35  -4.890  -6.135   2.051
  280    HE   ARG  35           HE       ARG  35  -6.281  -7.006  -0.411
  281   HH11  ARG  35          1HH1      ARG  35  -6.146  -6.718   3.087
  282   HH12  ARG  35          2HH1      ARG  35  -7.455  -7.828   3.342
  283   HH21  ARG  35          1HH2      ARG  35  -8.007  -8.443  -0.060
  284   HH22  ARG  35          2HH2      ARG  35  -8.510  -8.814   1.557
  285    H    THR  36           H        THR  36  -5.812  -2.571  -3.426
  286    HA   THR  36           HA       THR  36  -7.646  -0.742  -2.162
  287    HB   THR  36           HB       THR  36  -7.848  -1.904  -4.945
  288    HG1  THR  36           HG1      THR  36  -5.831  -0.583  -4.137
  289   HG21  THR  36          1HG2      THR  36  -8.917   0.646  -3.720
  290   HG22  THR  36          2HG2      THR  36  -9.866  -0.776  -4.152
  291   HG23  THR  36          3HG2      THR  36  -9.079   0.175  -5.410
  292    H    ILE  37           H        ILE  37  -9.170  -1.465  -0.928
  293    HA   ILE  37           HA       ILE  37 -10.014  -4.181  -0.896
  294    HB   ILE  37           HB       ILE  37 -11.042  -1.765   0.581
  295   HG12  ILE  37          1HG1      ILE  37  -8.706  -2.050   0.997
  296   HG13  ILE  37          2HG1      ILE  37  -9.559  -2.683   2.390
  297   HG21  ILE  37          1HG2      ILE  37 -12.667  -3.524   0.686
  298   HG22  ILE  37          2HG2      ILE  37 -11.831  -3.434   2.236
  299   HG23  ILE  37          3HG2      ILE  37 -11.425  -4.704   1.085
  300   HD11  ILE  37          3HD1      ILE  37  -7.820  -4.201   1.921
  301   HD12  ILE  37          1HD1      ILE  37  -8.209  -4.218   0.201
  302   HD13  ILE  37          2HD1      ILE  37  -9.304  -4.967   1.359
  303    H    GLN  38           H        GLN  38 -11.569  -5.096  -1.940
  304    HA   GLN  38           HA       GLN  38 -13.427  -3.683  -3.595
  305    HB2  GLN  38           1HB      GLN  38 -13.339  -6.606  -2.792
  306    HB3  GLN  38           2HB      GLN  38 -14.273  -5.935  -4.116
  307    HG2  GLN  38           1HG      GLN  38 -12.186  -5.256  -5.221
  308    HG3  GLN  38           2HG      GLN  38 -11.275  -6.000  -3.911
  309   HE21  GLN  38          1HE2      GLN  38 -14.224  -7.348  -5.198
  310   HE22  GLN  38          2HE2      GLN  38 -13.497  -8.727  -5.946
  311    HA   PRO  39           HA       PRO  39 -17.172  -3.241  -1.139
  312    HB2  PRO  39           1HB      PRO  39 -18.183  -5.748  -2.434
  313    HB3  PRO  39           2HB      PRO  39 -19.033  -4.231  -2.117
  314    HG2  PRO  39           1HG      PRO  39 -18.107  -4.759  -4.548
  315    HG3  PRO  39           2HG      PRO  39 -17.991  -3.125  -3.871
  316    HD2  PRO  39           1HD      PRO  39 -15.874  -5.147  -4.301
  317    HD3  PRO  39           2HD      PRO  39 -15.754  -3.380  -4.278
  318    H    SER  40           H        SER  40 -17.989  -3.949   0.802
  319    HA   SER  40           HA       SER  40 -16.279  -5.675   2.243
  320    HB2  SER  40           1HB      SER  40 -17.395  -3.664   3.197
  321    HB3  SER  40           2HB      SER  40 -18.934  -4.520   3.118
  322    HG   SER  40           HG       SER  40 -16.646  -5.202   4.665
  323    H    GLY  41           H        GLY  41 -19.041  -6.348   0.374
  324    HA2  GLY  41           1HA      GLY  41 -19.837  -8.684   1.868
  325    HA3  GLY  41           2HA      GLY  41 -20.406  -8.225   0.268
  326    H    SER  42           H        SER  42 -18.684 -10.454   1.944
  327    HA   SER  42           HA       SER  42 -17.396 -12.225   1.398
  328    HB2  SER  42           1HB      SER  42 -17.986 -11.419  -1.457
  329    HB3  SER  42           2HB      SER  42 -17.294 -12.959  -0.947
  330    HG   SER  42           HG       SER  42 -19.684 -12.162   0.255
  331    H    ILE  43           H        ILE  43 -15.281 -12.846   0.596
  332    HA   ILE  43           HA       ILE  43 -13.090 -12.561   0.088
  333    HB   ILE  43           HB       ILE  43 -13.903  -9.830  -0.914
  334   HG12  ILE  43          1HG1      ILE  43 -13.254 -12.408  -2.362
  335   HG13  ILE  43          2HG1      ILE  43 -14.850 -11.684  -2.204
  336   HG21  ILE  43          1HG2      ILE  43 -11.703  -9.761  -1.995
  337   HG22  ILE  43          2HG2      ILE  43 -11.270 -11.274  -1.199
  338   HG23  ILE  43          3HG2      ILE  43 -11.564  -9.825  -0.239
  339   HD11  ILE  43          3HD1      ILE  43 -12.510 -10.477  -3.658
  340   HD12  ILE  43          1HD1      ILE  43 -14.118  -9.769  -3.514
  341   HD13  ILE  43          2HD1      ILE  43 -13.896 -11.277  -4.399
  342    H    ILE  44           H        ILE  44 -14.124  -9.321   1.201
  343    HA   ILE  44           HA       ILE  44 -12.513  -9.701   3.603
  344    HB   ILE  44           HB       ILE  44 -10.908  -8.631   2.207
  345   HG12  ILE  44          1HG1      ILE  44 -12.210  -6.576   4.005
  346   HG13  ILE  44          2HG1      ILE  44 -11.040  -7.790   4.500
  347   HG21  ILE  44          1HG2      ILE  44 -12.483  -7.817   0.487
  348   HG22  ILE  44          2HG2      ILE  44 -11.287  -6.608   0.951
  349   HG23  ILE  44          3HG2      ILE  44 -12.938  -6.497   1.565
  350   HD11  ILE  44          3HD1      ILE  44 -10.579  -5.407   2.731
  351   HD12  ILE  44          1HD1      ILE  44  -9.403  -6.707   2.950
  352   HD13  ILE  44          2HD1      ILE  44  -9.903  -5.727   4.325
  353    H    ASP  45           H        ASP  45 -13.474  -8.931   5.348
  354    HA   ASP  45           HA       ASP  45 -15.979  -7.498   5.066
  355    HB2  ASP  45           1HB      ASP  45 -15.875  -9.377   6.634
  356    HB3  ASP  45           2HB      ASP  45 -14.581  -8.580   7.523
  Start of MODEL   12
    1    H    PHE   1           1H       PHE   1   9.884 -10.102  -3.481
    2    HA   PHE   1           HA       PHE   1  10.152 -11.969  -2.017
    3    HB2  PHE   1           1HB      PHE   1  11.827 -10.058  -0.369
    4    HB3  PHE   1           2HB      PHE   1  11.370 -11.694   0.097
    5    HD1  PHE   1           HD2      PHE   1  12.070 -13.566  -1.597
    6    HD2  PHE   1           HD1      PHE   1  13.865  -9.715  -1.373
    7    HE1  PHE   1           HE2      PHE   1  14.079 -14.441  -2.711
    8    HE2  PHE   1           HE1      PHE   1  15.877 -10.584  -2.491
    9    HZ   PHE   1           HZ       PHE   1  15.987 -12.951  -3.159
   10    H    PHE   2           H        PHE   2  10.286  -8.932  -0.163
   11    HA   PHE   2           HA       PHE   2   7.946  -9.412   1.279
   12    HB2  PHE   2           1HB      PHE   2   9.230  -6.761   0.597
   13    HB3  PHE   2           2HB      PHE   2   8.018  -7.005   1.847
   14    HD1  PHE   2           HD2      PHE   2   8.572  -8.249   3.886
   15    HD2  PHE   2           HD1      PHE   2  11.511  -7.373   0.934
   16    HE1  PHE   2           HE2      PHE   2  10.351  -8.763   5.506
   17    HE2  PHE   2           HE1      PHE   2  13.294  -7.885   2.550
   18    HZ   PHE   2           HZ       PHE   2  12.713  -8.582   4.839
   19    H    ASP   3           H        ASP   3   8.445  -7.499  -1.684
   20    HA   ASP   3           HA       ASP   3   5.593  -7.053  -1.823
   21    HB2  ASP   3           1HB      ASP   3   6.026  -5.691  -3.793
   22    HB3  ASP   3           2HB      ASP   3   7.001  -5.180  -2.423
   23    H    GLU   4           H        GLU   4   7.467  -9.573  -2.599
   24    HA   GLU   4           HA       GLU   4   6.088 -10.373  -4.998
   25    HB2  GLU   4           1HB      GLU   4   8.306 -11.338  -4.342
   26    HB3  GLU   4           2HB      GLU   4   7.526 -12.112  -2.972
   27    HG2  GLU   4           1HG      GLU   4   7.807 -13.717  -4.722
   28    HG3  GLU   4           2HG      GLU   4   6.091 -13.365  -4.542
   29    H    LYS   5           H        LYS   5   5.793 -10.760  -1.527
   30    HA   LYS   5           HA       LYS   5   3.356 -12.203  -1.557
   31    HB2  LYS   5           1HB      LYS   5   4.808 -12.016   0.441
   32    HB3  LYS   5           2HB      LYS   5   4.430 -10.306   0.536
   33    HG2  LYS   5           1HG      LYS   5   3.132 -11.579   2.145
   34    HG3  LYS   5           2HG      LYS   5   2.084 -10.829   0.941
   35    HD2  LYS   5           1HD      LYS   5   1.317 -13.069   1.313
   36    HD3  LYS   5           2HD      LYS   5   2.056 -12.997  -0.287
   37    HE2  LYS   5           1HE      LYS   5   4.127 -13.942   0.658
   38    HE3  LYS   5           2HE      LYS   5   3.337 -14.059   2.229
   39    HZ1  LYS   5           3HZ      LYS   5   1.686 -15.540   1.200
   40    HZ2  LYS   5           1HZ      LYS   5   3.253 -16.170   1.119
   41    HZ3  LYS   5           2HZ      LYS   5   2.548 -15.483  -0.252
   42    H    CYS   6           H        CYS   6   4.198  -8.769  -1.581
   43    HA   CYS   6           HA       CYS   6   1.639  -7.657  -1.446
   44    HB2  CYS   6           1HB      CYS   6   3.782  -6.366  -1.393
   45    HB3  CYS   6           2HB      CYS   6   3.982  -6.687  -3.109
   46    HG   CYS   6           HG       CYS   6   1.825  -5.177  -3.933
   47    H    ASN   7           H        ASN   7   3.492  -8.858  -4.194
   48    HA   ASN   7           HA       ASN   7   1.699  -8.333  -6.268
   49    HB2  ASN   7           1HB      ASN   7   3.998  -9.080  -6.641
   50    HB3  ASN   7           2HB      ASN   7   3.628 -10.637  -5.923
   51   HD21  ASN   7          1HD2      ASN   7   4.139 -11.817  -7.696
   52   HD22  ASN   7          2HD2      ASN   7   3.197 -11.805  -9.152
   53    H    LYS   8           H        LYS   8   2.100 -11.263  -4.314
   54    HA   LYS   8           HA       LYS   8   0.038 -12.776  -5.426
   55    HB2  LYS   8           1HB      LYS   8   1.749 -13.681  -3.901
   56    HB3  LYS   8           2HB      LYS   8   1.013 -12.815  -2.564
   57    HG2  LYS   8           1HG      LYS   8   0.359 -15.133  -2.505
   58    HG3  LYS   8           2HG      LYS   8  -1.044 -14.128  -2.879
   59    HD2  LYS   8           1HD      LYS   8  -0.748 -14.653  -5.269
   60    HD3  LYS   8           2HD      LYS   8   0.609 -15.703  -4.853
   61    HE2  LYS   8           1HE      LYS   8  -0.885 -17.094  -3.512
   62    HE3  LYS   8           2HE      LYS   8  -2.236 -16.041  -3.918
   63    HZ1  LYS   8           3HZ      LYS   8  -0.659 -17.670  -5.834
   64    HZ2  LYS   8           1HZ      LYS   8  -1.918 -16.619  -6.255
   65    HZ3  LYS   8           2HZ      LYS   8  -2.235 -17.988  -5.317
   66    H    LEU   9           H        LEU   9  -0.035 -10.513  -2.702
   67    HA   LEU   9           HA       LEU   9  -2.833 -10.984  -2.217
   68    HB2  LEU   9           1HB      LEU   9  -0.934  -8.934  -1.087
   69    HB3  LEU   9           2HB      LEU   9  -2.579  -9.186  -0.534
   70    HG   LEU   9           HG       LEU   9  -0.387 -11.260  -0.412
   71   HD11  LEU   9          1HD1      LEU   9   0.042  -9.380   1.092
   72   HD12  LEU   9          2HD1      LEU   9  -0.371 -10.848   1.981
   73   HD13  LEU   9          3HD1      LEU   9  -1.571  -9.570   1.784
   74   HD21  LEU   9          3HD2      LEU   9  -2.583 -12.266  -0.592
   75   HD22  LEU   9          1HD2      LEU   9  -3.189 -11.236   0.706
   76   HD23  LEU   9          2HD2      LEU   9  -1.965 -12.459   1.047
   77    H    LYS  10           H        LYS  10  -1.201  -9.294  -4.508
   78    HA   LYS  10           HA       LYS  10  -1.946  -8.041  -6.238
   79    HB2  LYS  10           1HB      LYS  10  -4.656  -8.414  -4.974
   80    HB3  LYS  10           2HB      LYS  10  -4.361  -7.770  -6.585
   81    HG2  LYS  10           1HG      LYS  10  -3.231  -9.925  -7.149
   82    HG3  LYS  10           2HG      LYS  10  -3.789 -10.548  -5.593
   83    HD2  LYS  10           1HD      LYS  10  -6.097 -10.089  -6.247
   84    HD3  LYS  10           2HD      LYS  10  -5.523  -9.471  -7.794
   85    HE2  LYS  10           1HE      LYS  10  -4.592 -11.669  -8.328
   86    HE3  LYS  10           2HE      LYS  10  -5.162 -12.286  -6.778
   87    HZ1  LYS  10           3HZ      LYS  10  -7.436 -11.791  -7.491
   88    HZ2  LYS  10           1HZ      LYS  10  -6.679 -12.893  -8.529
   89    HZ3  LYS  10           2HZ      LYS  10  -6.857 -11.277  -8.994
   90    H    GLY  11           H        GLY  11  -0.887  -6.753  -4.008
   91    HA2  GLY  11           1HA      GLY  11  -2.427  -4.225  -4.046
   92    HA3  GLY  11           2HA      GLY  11  -1.423  -4.733  -2.691
   93    H    THR  12           H        THR  12  -0.988  -2.270  -3.750
   94    HA   THR  12           HA       THR  12   1.532  -2.650  -5.235
   95    HB   THR  12           HB       THR  12  -0.029  -0.073  -5.141
   96    HG1  THR  12           HG1      THR  12  -0.663  -2.369  -6.457
   97   HG21  THR  12          1HG2      THR  12   1.232   0.417  -7.193
   98   HG22  THR  12          2HG2      THR  12   2.045  -1.141  -7.060
   99   HG23  THR  12          3HG2      THR  12   2.307   0.099  -5.833
  100    H    CYS  13           H        CYS  13   3.348  -1.458  -4.513
  101    HA   CYS  13           HA       CYS  13   3.229  -0.812  -1.681
  102    HB2  CYS  13           1HB      CYS  13   5.721  -0.676  -3.371
  103    HB3  CYS  13           2HB      CYS  13   5.572  -0.971  -1.646
  104    HG   CYS  13           HG       CYS  13   5.335  -3.537  -1.719
  105    H    LYS  14           H        LYS  14   2.527   1.165  -1.245
  106    HA   LYS  14           HA       LYS  14   3.617   3.407  -2.823
  107    HB2  LYS  14           1HB      LYS  14   0.977   3.351  -1.347
  108    HB3  LYS  14           2HB      LYS  14   1.600   4.670  -2.329
  109    HG2  LYS  14           1HG      LYS  14   1.462   3.208  -4.292
  110    HG3  LYS  14           2HG      LYS  14   0.785   1.959  -3.249
  111    HD2  LYS  14           1HD      LYS  14  -0.972   3.680  -2.597
  112    HD3  LYS  14           2HD      LYS  14  -0.407   4.599  -3.993
  113    HE2  LYS  14           1HE      LYS  14  -0.896   2.720  -5.450
  114    HE3  LYS  14           2HE      LYS  14  -1.399   1.770  -4.050
  115    HZ1  LYS  14           3HZ      LYS  14  -3.243   2.793  -5.355
  116    HZ2  LYS  14           1HZ      LYS  14  -2.703   4.310  -4.841
  117    HZ3  LYS  14           2HZ      LYS  14  -3.254   3.175  -3.705
  118    H    ASN  15           H        ASN  15   3.499   5.481  -1.541
  119    HA   ASN  15           HA       ASN  15   4.600   5.107   1.102
  120    HB2  ASN  15           1HB      ASN  15   4.431   7.264  -0.870
  121    HB3  ASN  15           2HB      ASN  15   4.173   7.809   0.781
  122   HD21  ASN  15          1HD2      ASN  15   6.125   8.980   0.674
  123   HD22  ASN  15          2HD2      ASN  15   7.654   8.185   0.812
  124    H    ASN  16           H        ASN  16   1.578   5.727  -0.398
  125    HA   ASN  16           HA       ASN  16   0.299   6.033   2.216
  126    HB2  ASN  16           1HB      ASN  16  -0.923   8.018   1.608
  127    HB3  ASN  16           2HB      ASN  16   0.789   8.340   1.353
  128   HD21  ASN  16          1HD2      ASN  16   1.590   8.106  -0.849
  129   HD22  ASN  16          2HD2      ASN  16   0.548   8.531  -2.162
  130    H    CYS  17           H        CYS  17  -1.869   5.419   2.242
  131    HA   CYS  17           HA       CYS  17  -2.636   3.672   0.060
  132    HB2  CYS  17           1HB      CYS  17  -4.068   4.218   2.667
  133    HB3  CYS  17           2HB      CYS  17  -4.367   2.885   1.564
  134    HG   CYS  17           HG       CYS  17  -1.388   2.309   2.048
  135    H    GLY  18           H        GLY  18  -4.147   4.076  -1.397
  136    HA2  GLY  18           1HA      GLY  18  -5.287   6.745  -1.492
  137    HA3  GLY  18           2HA      GLY  18  -5.321   5.538  -2.768
  138    H    LYS  19           H        LYS  19  -7.524   6.082  -3.066
  139    HA   LYS  19           HA       LYS  19  -9.526   6.077  -1.184
  140    HB2  LYS  19           1HB      LYS  19 -11.076   5.930  -2.955
  141    HB3  LYS  19           2HB      LYS  19  -9.683   6.771  -3.606
  142    HG2  LYS  19           1HG      LYS  19 -10.407   3.886  -4.084
  143    HG3  LYS  19           2HG      LYS  19 -10.598   5.215  -5.222
  144    HD2  LYS  19           1HD      LYS  19  -8.102   5.532  -5.104
  145    HD3  LYS  19           2HD      LYS  19  -8.031   4.029  -4.180
  146    HE2  LYS  19           1HE      LYS  19  -7.570   3.595  -6.517
  147    HE3  LYS  19           2HE      LYS  19  -9.095   2.845  -6.046
  148    HZ1  LYS  19           3HZ      LYS  19  -9.294   3.932  -8.180
  149    HZ2  LYS  19           1HZ      LYS  19  -8.795   5.406  -7.519
  150    HZ3  LYS  19           2HZ      LYS  19 -10.265   4.720  -7.045
  151    H    ASN  20           H        ASN  20 -10.262   4.640   0.141
  152    HA   ASN  20           HA       ASN  20 -10.873   2.706   1.130
  153    HB2  ASN  20           1HB      ASN  20 -11.344   1.940  -1.751
  154    HB3  ASN  20           2HB      ASN  20 -11.807   0.918  -0.395
  155   HD21  ASN  20          1HD2      ASN  20 -13.976   1.032  -0.874
  156   HD22  ASN  20          2HD2      ASN  20 -14.914   2.466  -0.647
  157    H    GLU  21           H        GLU  21  -8.045   3.061   0.511
  158    HA   GLU  21           HA       GLU  21  -7.238   0.237   0.328
  159    HB2  GLU  21           1HB      GLU  21  -5.580   2.747  -0.012
  160    HB3  GLU  21           2HB      GLU  21  -4.940   1.113  -0.077
  161    HG2  GLU  21           1HG      GLU  21  -6.567   0.724  -1.985
  162    HG3  GLU  21           2HG      GLU  21  -6.802   2.467  -2.000
  163    H    GLU  22           H        GLU  22  -5.657  -0.555   1.823
  164    HA   GLU  22           HA       GLU  22  -5.256   1.072   4.230
  165    HB2  GLU  22           1HB      GLU  22  -5.795  -0.774   5.697
  166    HB3  GLU  22           2HB      GLU  22  -7.167  -0.446   4.653
  167    HG2  GLU  22           1HG      GLU  22  -6.631  -2.354   3.281
  168    HG3  GLU  22           2HG      GLU  22  -5.160  -2.642   4.210
  169    H    LEU  23           H        LEU  23  -3.487   0.304   5.582
  170    HA   LEU  23           HA       LEU  23  -1.284  -0.658   3.964
  171    HB2  LEU  23           1HB      LEU  23  -1.474   1.161   6.002
  172    HB3  LEU  23           2HB      LEU  23  -0.859  -0.246   6.846
  173    HG   LEU  23           HG       LEU  23   1.133  -0.295   5.511
  174   HD11  LEU  23          1HD1      LEU  23  -0.365   1.654   3.791
  175   HD12  LEU  23          2HD1      LEU  23   0.391   0.120   3.338
  176   HD13  LEU  23          3HD1      LEU  23   1.390   1.519   3.731
  177   HD21  LEU  23          3HD2      LEU  23   0.461   2.562   6.215
  178   HD22  LEU  23          1HD2      LEU  23   2.079   1.916   5.941
  179   HD23  LEU  23          2HD2      LEU  23   1.124   1.351   7.312
  180    H    ILE  24           H        ILE  24  -0.767  -2.739   3.833
  181    HA   ILE  24           HA       ILE  24  -1.903  -4.528   5.880
  182    HB   ILE  24           HB       ILE  24  -2.353  -6.159   4.232
  183   HG12  ILE  24          1HG1      ILE  24  -1.569  -5.318   1.755
  184   HG13  ILE  24          2HG1      ILE  24  -0.220  -4.793   2.750
  185   HG21  ILE  24          1HG2      ILE  24  -2.852  -3.486   2.944
  186   HG22  ILE  24          2HG2      ILE  24  -3.865  -4.236   4.181
  187   HG23  ILE  24          3HG2      ILE  24  -3.709  -4.988   2.594
  188   HD11  ILE  24          3HD1      ILE  24  -1.294  -7.593   2.576
  189   HD12  ILE  24          1HD1      ILE  24   0.062  -7.067   3.573
  190   HD13  ILE  24          2HD1      ILE  24   0.180  -6.992   1.815
  191    H    ALA  25           H        ALA  25   1.004  -3.520   4.354
  192    HA   ALA  25           HA       ALA  25   2.610  -5.185   6.031
  193    HB1  ALA  25           3HB      ALA  25   2.609  -5.844   3.083
  194    HB2  ALA  25           1HB      ALA  25   1.993  -6.879   4.371
  195    HB3  ALA  25           2HB      ALA  25   3.712  -6.500   4.292
  196    H    LEU  26           H        LEU  26   4.865  -4.816   5.746
  197    HA   LEU  26           HA       LEU  26   5.377  -2.193   4.554
  198    HB2  LEU  26           1HB      LEU  26   5.740  -2.183   6.879
  199    HB3  LEU  26           2HB      LEU  26   6.649  -3.676   6.833
  200    HG   LEU  26           HG       LEU  26   8.440  -2.439   5.578
  201   HD11  LEU  26          1HD1      LEU  26   8.310   0.091   5.871
  202   HD12  LEU  26          2HD1      LEU  26   6.575  -0.147   6.121
  203   HD13  LEU  26          3HD1      LEU  26   7.326  -0.631   4.600
  204   HD21  LEU  26          3HD2      LEU  26   8.636  -2.818   7.968
  205   HD22  LEU  26          1HD2      LEU  26   7.693  -1.364   8.294
  206   HD23  LEU  26          2HD2      LEU  26   9.282  -1.234   7.542
  207    H    CYS  27           H        CYS  27   6.981  -1.884   3.174
  208    HA   CYS  27           HA       CYS  27   8.257  -4.304   2.071
  209    HB2  CYS  27           1HB      CYS  27   7.197  -1.834   0.685
  210    HB3  CYS  27           2HB      CYS  27   8.160  -3.057  -0.128
  211    HG   CYS  27           HG       CYS  27   5.816  -4.726   1.286
  212    H    GLN  28           H        GLN  28  10.214  -3.617   0.623
  213    HA   GLN  28           HA       GLN  28  12.042  -2.170   2.283
  214    HB2  GLN  28           1HB      GLN  28  12.440  -3.112  -0.559
  215    HB3  GLN  28           2HB      GLN  28  13.697  -2.611   0.558
  216    HG2  GLN  28           1HG      GLN  28  13.088  -4.501   2.029
  217    HG3  GLN  28           2HG      GLN  28  11.931  -5.032   0.809
  218   HE21  GLN  28          1HE2      GLN  28  12.695  -5.832  -1.152
  219   HE22  GLN  28          2HE2      GLN  28  14.319  -6.389  -1.341
  220    H    LYS  29           H        LYS  29  13.501  -0.499   1.100
  221    HA   LYS  29           HA       LYS  29  13.707   1.650   0.381
  222    HB2  LYS  29           1HB      LYS  29  11.352   0.897  -1.349
  223    HB3  LYS  29           2HB      LYS  29  12.253   2.397  -1.508
  224    HG2  LYS  29           1HG      LYS  29  14.277   1.099  -2.032
  225    HG3  LYS  29           2HG      LYS  29  13.330  -0.387  -1.919
  226    HD2  LYS  29           1HD      LYS  29  12.703   1.871  -3.817
  227    HD3  LYS  29           2HD      LYS  29  13.672   0.463  -4.252
  228    HE2  LYS  29           1HE      LYS  29  10.849   0.295  -3.197
  229    HE3  LYS  29           2HE      LYS  29  11.252   0.346  -4.914
  230    HZ1  LYS  29           3HZ      LYS  29  12.076  -1.744  -2.972
  231    HZ2  LYS  29           1HZ      LYS  29  12.593  -1.675  -4.580
  232    HZ3  LYS  29           2HZ      LYS  29  10.960  -1.915  -4.225
  233    H    SER  30           H        SER  30  11.536   0.649   2.379
  234    HA   SER  30           HA       SER  30  10.321   1.638   4.008
  235    HB2  SER  30           1HB      SER  30  11.872   3.590   3.764
  236    HB3  SER  30           2HB      SER  30  10.745   4.281   2.597
  237    HG   SER  30           HG       SER  30   9.147   4.227   4.266
  238    H    LEU  31           H        LEU  31   9.441   1.178   0.943
  239    HA   LEU  31           HA       LEU  31   6.905   2.470   0.848
  240    HB2  LEU  31           1HB      LEU  31   8.197   0.213  -0.663
  241    HB3  LEU  31           2HB      LEU  31   6.499   0.566  -0.880
  242    HG   LEU  31           HG       LEU  31   8.002   1.561  -2.590
  243   HD11  LEU  31          1HD1      LEU  31   6.420   3.514  -0.931
  244   HD12  LEU  31          2HD1      LEU  31   5.779   2.460  -2.192
  245   HD13  LEU  31          3HD1      LEU  31   6.910   3.745  -2.611
  246   HD21  LEU  31          3HD2      LEU  31   8.880   3.356  -0.348
  247   HD22  LEU  31          1HD2      LEU  31   9.282   3.549  -2.053
  248   HD23  LEU  31          2HD2      LEU  31   9.881   2.153  -1.160
  249    H    LYS  32           H        LYS  32   4.816   1.280   0.857
  250    HA   LYS  32           HA       LYS  32   4.838  -1.143   2.520
  251    HB2  LYS  32           1HB      LYS  32   3.136   1.299   2.994
  252    HB3  LYS  32           2HB      LYS  32   2.820  -0.264   3.728
  253    HG2  LYS  32           1HG      LYS  32   4.018   0.551   5.425
  254    HG3  LYS  32           2HG      LYS  32   5.407   0.128   4.423
  255    HD2  LYS  32           1HD      LYS  32   5.431   2.393   3.489
  256    HD3  LYS  32           2HD      LYS  32   4.051   2.821   4.501
  257    HE2  LYS  32           1HE      LYS  32   5.391   2.354   6.502
  258    HE3  LYS  32           2HE      LYS  32   6.769   1.958   5.478
  259    HZ1  LYS  32           3HZ      LYS  32   6.658   4.245   4.601
  260    HZ2  LYS  32           1HZ      LYS  32   6.983   4.190   6.260
  261    HZ3  LYS  32           2HZ      LYS  32   5.438   4.596   5.718
  262    H    CYS  33           H        CYS  33   2.885  -2.416   2.347
  263    HA   CYS  33           HA       CYS  33   1.903  -2.357  -0.376
  264    HB2  CYS  33           1HB      CYS  33   2.603  -4.482   0.731
  265    HB3  CYS  33           2HB      CYS  33   1.256  -4.295   1.850
  266    HG   CYS  33           HG       CYS  33   0.993  -4.766  -1.528
  267    H    CYS  34           H        CYS  34   0.199  -1.198  -0.895
  268    HA   CYS  34           HA       CYS  34  -1.970  -0.886   1.069
  269    HB2  CYS  34           1HB      CYS  34  -1.435   0.745  -1.425
  270    HB3  CYS  34           2HB      CYS  34  -2.652   1.078  -0.197
  271    HG   CYS  34           HG       CYS  34   0.468   0.900   1.001
  272    H    ARG  35           H        ARG  35  -3.721  -2.088   0.730
  273    HA   ARG  35           HA       ARG  35  -4.188  -3.143  -1.980
  274    HB2  ARG  35           1HB      ARG  35  -5.328  -4.158   0.633
  275    HB3  ARG  35           2HB      ARG  35  -5.495  -4.914  -0.943
  276    HG2  ARG  35           1HG      ARG  35  -3.100  -5.353  -1.000
  277    HG3  ARG  35           2HG      ARG  35  -2.915  -4.568   0.569
  278    HD2  ARG  35           1HD      ARG  35  -3.003  -6.838   1.114
  279    HD3  ARG  35           2HD      ARG  35  -4.649  -6.276   1.393
  280    HE   ARG  35           HE       ARG  35  -4.193  -7.348  -1.252
  281   HH11  ARG  35          1HH1      ARG  35  -5.106  -8.095   2.044
  282   HH12  ARG  35          2HH1      ARG  35  -6.023  -9.503   1.605
  283   HH21  ARG  35          1HH2      ARG  35  -5.385  -9.206  -1.827
  284   HH22  ARG  35          2HH2      ARG  35  -6.184 -10.131  -0.595
  285    H    THR  36           H        THR  36  -5.944  -2.515  -3.074
  286    HA   THR  36           HA       THR  36  -7.763  -0.612  -1.878
  287    HB   THR  36           HB       THR  36  -8.262  -1.765  -4.585
  288    HG1  THR  36           HG1      THR  36  -6.057  -0.077  -3.898
  289   HG21  THR  36          1HG2      THR  36  -9.691   0.025  -3.659
  290   HG22  THR  36          2HG2      THR  36  -8.843   0.540  -5.117
  291   HG23  THR  36          3HG2      THR  36  -8.278   1.074  -3.534
  292    H    ILE  37           H        ILE  37  -9.385  -1.272  -0.688
  293    HA   ILE  37           HA       ILE  37 -10.214  -3.873  -0.359
  294    HB   ILE  37           HB       ILE  37 -11.593  -1.281   0.229
  295   HG12  ILE  37          1HG1      ILE  37  -9.343  -2.251   1.287
  296   HG13  ILE  37          2HG1      ILE  37 -10.517  -1.369   2.251
  297   HG21  ILE  37          1HG2      ILE  37 -13.074  -2.542   1.729
  298   HG22  ILE  37          2HG2      ILE  37 -12.399  -4.051   1.112
  299   HG23  ILE  37          3HG2      ILE  37 -13.312  -2.988   0.040
  300   HD11  ILE  37          3HD1      ILE  37 -11.444  -3.502   3.021
  301   HD12  ILE  37          1HD1      ILE  37  -9.730  -3.342   3.405
  302   HD13  ILE  37          2HD1      ILE  37 -10.240  -4.353   2.054
  303    H    GLN  38           H        GLN  38 -11.298  -5.223  -1.549
  304    HA   GLN  38           HA       GLN  38 -12.616  -4.366  -3.963
  305    HB2  GLN  38           1HB      GLN  38 -12.280  -7.109  -2.729
  306    HB3  GLN  38           2HB      GLN  38 -12.944  -6.799  -4.326
  307    HG2  GLN  38           1HG      GLN  38 -10.846  -5.927  -5.092
  308    HG3  GLN  38           2HG      GLN  38 -10.165  -6.033  -3.470
  309   HE21  GLN  38          1HE2      GLN  38 -12.233  -8.514  -4.808
  310   HE22  GLN  38          2HE2      GLN  38 -11.002  -9.717  -4.979
  311    HA   PRO  39           HA       PRO  39 -16.653  -4.270  -2.078
  312    HB2  PRO  39           1HB      PRO  39 -18.087  -3.707  -4.232
  313    HB3  PRO  39           2HB      PRO  39 -16.941  -2.520  -3.585
  314    HG2  PRO  39           1HG      PRO  39 -16.532  -4.513  -5.771
  315    HG3  PRO  39           2HG      PRO  39 -16.252  -2.762  -5.839
  316    HD2  PRO  39           1HD      PRO  39 -14.247  -4.495  -5.381
  317    HD3  PRO  39           2HD      PRO  39 -14.311  -2.922  -4.553
  318    H    SER  40           H        SER  40 -18.860  -5.252  -2.622
  319    HA   SER  40           HA       SER  40 -20.235  -6.972  -3.123
  320    HB2  SER  40           1HB      SER  40 -18.027  -8.060  -4.871
  321    HB3  SER  40           2HB      SER  40 -19.724  -8.541  -4.901
  322    HG   SER  40           HG       SER  40 -20.246  -6.416  -5.560
  323    H    GLY  41           H        GLY  41 -16.969  -8.342  -2.908
  324    HA2  GLY  41           1HA      GLY  41 -18.071 -10.349  -1.045
  325    HA3  GLY  41           2HA      GLY  41 -16.705 -10.633  -2.110
  326    H    SER  42           H        SER  42 -17.552 -10.109   0.987
  327    HA   SER  42           HA       SER  42 -16.561  -9.318   2.874
  328    HB2  SER  42           1HB      SER  42 -14.258 -10.202   3.195
  329    HB3  SER  42           2HB      SER  42 -15.403 -11.403   2.610
  330    HG   SER  42           HG       SER  42 -13.435 -11.524   1.469
  331    H    ILE  43           H        ILE  43 -13.461  -8.931   2.004
  332    HA   ILE  43           HA       ILE  43 -13.688  -6.137   1.199
  333    HB   ILE  43           HB       ILE  43 -11.619  -5.780   2.801
  334   HG12  ILE  43          1HG1      ILE  43 -13.224  -7.831   4.343
  335   HG13  ILE  43          2HG1      ILE  43 -11.686  -8.182   3.573
  336   HG21  ILE  43          1HG2      ILE  43 -13.148  -4.877   4.499
  337   HG22  ILE  43          2HG2      ILE  43 -14.482  -5.765   3.762
  338   HG23  ILE  43          3HG2      ILE  43 -13.675  -4.480   2.863
  339   HD11  ILE  43          3HD1      ILE  43 -11.427  -7.770   5.953
  340   HD12  ILE  43          1HD1      ILE  43 -12.142  -6.169   5.762
  341   HD13  ILE  43          2HD1      ILE  43 -10.594  -6.540   5.003
  342    H    ILE  44           H        ILE  44 -10.781  -7.690   2.344
  343    HA   ILE  44           HA       ILE  44  -9.914  -8.159  -0.412
  344    HB   ILE  44           HB       ILE  44  -7.602  -7.515   0.379
  345   HG12  ILE  44          1HG1      ILE  44  -9.229  -6.537   2.726
  346   HG13  ILE  44          2HG1      ILE  44  -7.785  -7.544   2.750
  347   HG21  ILE  44          1HG2      ILE  44  -9.758  -5.426   0.339
  348   HG22  ILE  44          2HG2      ILE  44  -8.919  -6.088  -1.066
  349   HG23  ILE  44          3HG2      ILE  44  -8.039  -5.102   0.106
  350   HD11  ILE  44          3HD1      ILE  44  -6.466  -5.614   1.972
  351   HD12  ILE  44          1HD1      ILE  44  -7.262  -5.320   3.518
  352   HD13  ILE  44          2HD1      ILE  44  -7.922  -4.615   2.038
  353    H    ASP  45           H        ASP  45 -11.109  -9.882   1.556
  354    HA   ASP  45           HA       ASP  45  -8.929 -11.815   1.924
  355    HB2  ASP  45           1HB      ASP  45  -9.730 -10.860   4.093
  356    HB3  ASP  45           2HB      ASP  45 -11.340 -11.470   3.725
  Start of MODEL   13
    1    H    PHE   1           1H       PHE   1  11.068 -10.394  -1.070
    2    HA   PHE   1           HA       PHE   1   9.055 -12.134  -2.354
    3    HB2  PHE   1           1HB      PHE   1  10.379 -12.254   0.358
    4    HB3  PHE   1           2HB      PHE   1   9.007 -13.245  -0.120
    5    HD1  PHE   1           HD1      PHE   1   9.268 -15.050  -1.708
    6    HD2  PHE   1           HD2      PHE   1  12.589 -12.669  -0.521
    7    HE1  PHE   1           HE1      PHE   1  10.805 -16.727  -2.652
    8    HE2  PHE   1           HE2      PHE   1  14.126 -14.338  -1.464
    9    HZ   PHE   1           HZ       PHE   1  13.237 -16.368  -2.530
   10    H    PHE   2           H        PHE   2   9.685  -9.332  -0.428
   11    HA   PHE   2           HA       PHE   2   7.386  -9.169   1.118
   12    HB2  PHE   2           1HB      PHE   2   9.035  -6.996  -0.167
   13    HB3  PHE   2           2HB      PHE   2   7.689  -6.652   0.912
   14    HD1  PHE   2           HD1      PHE   2   7.784  -7.808   3.240
   15    HD2  PHE   2           HD2      PHE   2  11.157  -7.243   0.708
   16    HE1  PHE   2           HE1      PHE   2   9.273  -8.024   5.183
   17    HE2  PHE   2           HE2      PHE   2  12.654  -7.465   2.649
   18    HZ   PHE   2           HZ       PHE   2  11.710  -7.857   4.890
   19    H    ASP   3           H        ASP   3   7.884  -8.029  -2.232
   20    HA   ASP   3           HA       ASP   3   5.048  -7.420  -2.318
   21    HB2  ASP   3           1HB      ASP   3   5.424  -6.307  -4.417
   22    HB3  ASP   3           2HB      ASP   3   6.562  -5.722  -3.211
   23    H    GLU   4           H        GLU   4   6.847 -10.088  -2.867
   24    HA   GLU   4           HA       GLU   4   5.257 -11.197  -4.985
   25    HB2  GLU   4           1HB      GLU   4   6.780 -12.569  -2.752
   26    HB3  GLU   4           2HB      GLU   4   5.978 -13.414  -4.065
   27    HG2  GLU   4           1HG      GLU   4   8.344 -11.579  -4.239
   28    HG3  GLU   4           2HG      GLU   4   8.289 -13.305  -4.570
   29    H    LYS   5           H        LYS   5   5.167 -11.083  -1.480
   30    HA   LYS   5           HA       LYS   5   2.667 -12.307  -1.085
   31    HB2  LYS   5           1HB      LYS   5   4.383 -11.707   0.673
   32    HB3  LYS   5           2HB      LYS   5   3.862 -10.039   0.512
   33    HG2  LYS   5           1HG      LYS   5   2.786 -10.956   2.417
   34    HG3  LYS   5           2HG      LYS   5   1.567 -10.768   1.153
   35    HD2  LYS   5           1HD      LYS   5   1.709 -13.125   0.619
   36    HD3  LYS   5           2HD      LYS   5   3.016 -13.337   1.785
   37    HE2  LYS   5           1HE      LYS   5   1.461 -12.627   3.580
   38    HE3  LYS   5           2HE      LYS   5   0.166 -12.562   2.386
   39    HZ1  LYS   5           3HZ      LYS   5   0.526 -14.932   1.959
   40    HZ2  LYS   5           1HZ      LYS   5   0.109 -14.643   3.573
   41    HZ3  LYS   5           2HZ      LYS   5   1.713 -14.972   3.157
   42    H    CYS   6           H        CYS   6   3.643  -8.960  -1.679
   43    HA   CYS   6           HA       CYS   6   1.175  -7.697  -1.471
   44    HB2  CYS   6           1HB      CYS   6   3.428  -6.594  -1.717
   45    HB3  CYS   6           2HB      CYS   6   3.395  -7.024  -3.421
   46    HG   CYS   6           HG       CYS   6   1.562  -5.273  -4.213
   47    H    ASN   7           H        ASN   7   2.714  -9.234  -4.259
   48    HA   ASN   7           HA       ASN   7   0.803  -8.674  -6.211
   49    HB2  ASN   7           1HB      ASN   7   3.042  -9.664  -6.637
   50    HB3  ASN   7           2HB      ASN   7   2.480 -11.177  -5.948
   51   HD21  ASN   7          1HD2      ASN   7   2.740 -12.363  -7.789
   52   HD22  ASN   7          2HD2      ASN   7   1.753 -12.149  -9.194
   53    H    LYS   8           H        LYS   8   1.070 -11.366  -3.964
   54    HA   LYS   8           HA       LYS   8  -1.101 -12.852  -4.960
   55    HB2  LYS   8           1HB      LYS   8   0.721 -13.706  -3.450
   56    HB3  LYS   8           2HB      LYS   8  -0.081 -12.883  -2.119
   57    HG2  LYS   8           1HG      LYS   8  -0.639 -15.257  -2.183
   58    HG3  LYS   8           2HG      LYS   8  -2.065 -14.250  -2.441
   59    HD2  LYS   8           1HD      LYS   8  -1.910 -14.626  -4.840
   60    HD3  LYS   8           2HD      LYS   8  -0.454 -15.590  -4.608
   61    HE2  LYS   8           1HE      LYS   8  -1.729 -17.221  -3.324
   62    HE3  LYS   8           2HE      LYS   8  -3.183 -16.246  -3.507
   63    HZ1  LYS   8           3HZ      LYS   8  -3.046 -16.569  -5.903
   64    HZ2  LYS   8           1HZ      LYS   8  -3.147 -18.050  -5.097
   65    HZ3  LYS   8           2HZ      LYS   8  -1.665 -17.524  -5.713
   66    H    LEU   9           H        LEU   9  -0.935 -10.245  -2.598
   67    HA   LEU   9           HA       LEU   9  -3.764 -10.533  -1.980
   68    HB2  LEU   9           1HB      LEU   9  -1.608  -8.704  -0.970
   69    HB3  LEU   9           2HB      LEU   9  -3.295  -8.380  -0.637
   70    HG   LEU   9           HG       LEU   9  -2.448  -9.473   1.272
   71   HD11  LEU   9          1HD1      LEU   9  -3.843 -11.587  -0.350
   72   HD12  LEU   9          2HD1      LEU   9  -4.639 -10.270   0.511
   73   HD13  LEU   9          3HD1      LEU   9  -3.744 -11.497   1.408
   74   HD21  LEU   9          3HD2      LEU   9  -1.347 -11.624  -0.521
   75   HD22  LEU   9          1HD2      LEU   9  -1.231 -11.560   1.238
   76   HD23  LEU   9          2HD2      LEU   9  -0.399 -10.352   0.252
   77    H    LYS  10           H        LYS  10  -2.037  -9.213  -4.430
   78    HA   LYS  10           HA       LYS  10  -2.611  -7.948  -6.217
   79    HB2  LYS  10           1HB      LYS  10  -5.349  -7.991  -4.944
   80    HB3  LYS  10           2HB      LYS  10  -5.013  -7.229  -6.487
   81    HG2  LYS  10           1HG      LYS  10  -5.865  -9.296  -7.081
   82    HG3  LYS  10           2HG      LYS  10  -4.121  -9.533  -7.198
   83    HD2  LYS  10           1HD      LYS  10  -4.128 -10.549  -4.961
   84    HD3  LYS  10           2HD      LYS  10  -5.878 -10.337  -4.883
   85    HE2  LYS  10           1HE      LYS  10  -6.147 -11.788  -6.822
   86    HE3  LYS  10           2HE      LYS  10  -4.398 -11.986  -6.927
   87    HZ1  LYS  10           3HZ      LYS  10  -5.319 -13.869  -5.817
   88    HZ2  LYS  10           1HZ      LYS  10  -6.163 -12.894  -4.721
   89    HZ3  LYS  10           2HZ      LYS  10  -4.475 -12.957  -4.668
   90    H    GLY  11           H        GLY  11  -1.527  -6.777  -3.826
   91    HA2  GLY  11           1HA      GLY  11  -2.705  -4.077  -3.918
   92    HA3  GLY  11           2HA      GLY  11  -1.677  -4.690  -2.629
   93    H    THR  12           H        THR  12  -0.648  -2.522  -3.167
   94    HA   THR  12           HA       THR  12   1.656  -3.098  -4.855
   95    HB   THR  12           HB       THR  12   0.156  -0.496  -5.196
   96    HG1  THR  12           HG1      THR  12  -0.199  -2.980  -6.392
   97   HG21  THR  12          1HG2      THR  12   1.581  -0.240  -7.169
   98   HG22  THR  12          2HG2      THR  12   2.365  -1.776  -6.808
   99   HG23  THR  12          3HG2      THR  12   2.551  -0.411  -5.708
  100    H    CYS  13           H        CYS  13   3.495  -1.829  -4.300
  101    HA   CYS  13           HA       CYS  13   3.384  -0.856  -1.558
  102    HB2  CYS  13           1HB      CYS  13   5.864  -1.062  -3.268
  103    HB3  CYS  13           2HB      CYS  13   5.742  -1.057  -1.516
  104    HG   CYS  13           HG       CYS  13   5.244  -3.611  -3.675
  105    H    LYS  14           H        LYS  14   2.882   1.198  -1.282
  106    HA   LYS  14           HA       LYS  14   3.981   3.180  -3.147
  107    HB2  LYS  14           1HB      LYS  14   1.819   4.429  -2.955
  108    HB3  LYS  14           2HB      LYS  14   1.696   2.898  -3.812
  109    HG2  LYS  14           1HG      LYS  14   0.757   1.838  -1.853
  110    HG3  LYS  14           2HG      LYS  14   0.964   3.320  -0.921
  111    HD2  LYS  14           1HD      LYS  14  -1.339   3.097  -1.626
  112    HD3  LYS  14           2HD      LYS  14  -0.592   4.468  -2.442
  113    HE2  LYS  14           1HE      LYS  14  -0.320   3.156  -4.458
  114    HE3  LYS  14           2HE      LYS  14  -0.949   1.725  -3.643
  115    HZ1  LYS  14           3HZ      LYS  14  -3.058   2.923  -3.323
  116    HZ2  LYS  14           1HZ      LYS  14  -2.671   2.719  -4.961
  117    HZ3  LYS  14           2HZ      LYS  14  -2.445   4.221  -4.225
  118    H    ASN  15           H        ASN  15   3.527   5.478  -2.178
  119    HA   ASN  15           HA       ASN  15   4.944   5.629   0.279
  120    HB2  ASN  15           1HB      ASN  15   5.023   7.336  -1.544
  121    HB3  ASN  15           2HB      ASN  15   3.402   7.793  -1.091
  122   HD21  ASN  15          1HD2      ASN  15   6.733   7.806  -0.122
  123   HD22  ASN  15          2HD2      ASN  15   6.565   8.977   1.139
  124    H    ASN  16           H        ASN  16   1.786   6.936  -0.564
  125    HA   ASN  16           HA       ASN  16   0.800   6.188   2.116
  126    HB2  ASN  16           1HB      ASN  16  -0.617   8.199   2.074
  127    HB3  ASN  16           2HB      ASN  16   1.088   8.618   1.954
  128   HD21  ASN  16          1HD2      ASN  16   1.917   9.254  -0.079
  129   HD22  ASN  16          2HD2      ASN  16   0.878   9.934  -1.282
  130    H    CYS  17           H        CYS  17  -1.297   5.400   2.256
  131    HA   CYS  17           HA       CYS  17  -2.182   3.955  -0.035
  132    HB2  CYS  17           1HB      CYS  17  -3.822   4.327   2.458
  133    HB3  CYS  17           2HB      CYS  17  -3.740   2.934   1.391
  134    HG   CYS  17           HG       CYS  17  -1.261   2.076   2.222
  135    H    GLY  18           H        GLY  18  -4.026   4.190  -1.253
  136    HA2  GLY  18           1HA      GLY  18  -5.043   6.934  -1.360
  137    HA3  GLY  18           2HA      GLY  18  -5.183   5.721  -2.625
  138    H    LYS  19           H        LYS  19  -7.407   6.319  -2.765
  139    HA   LYS  19           HA       LYS  19  -9.230   6.268  -0.672
  140    HB2  LYS  19           1HB      LYS  19 -10.938   5.875  -2.523
  141    HB3  LYS  19           2HB      LYS  19  -9.936   7.310  -2.643
  142    HG2  LYS  19           1HG      LYS  19  -9.809   6.594  -4.789
  143    HG3  LYS  19           2HG      LYS  19  -8.440   5.708  -4.122
  144    HD2  LYS  19           1HD      LYS  19  -9.844   3.722  -3.860
  145    HD3  LYS  19           2HD      LYS  19 -11.227   4.614  -4.504
  146    HE2  LYS  19           1HE      LYS  19  -9.907   4.981  -6.594
  147    HE3  LYS  19           2HE      LYS  19  -8.679   3.898  -5.944
  148    HZ1  LYS  19           3HZ      LYS  19 -10.420   2.167  -5.804
  149    HZ2  LYS  19           1HZ      LYS  19 -10.108   2.673  -7.386
  150    HZ3  LYS  19           2HZ      LYS  19 -11.492   3.213  -6.585
  151    H    ASN  20           H        ASN  20 -10.277   4.798   0.398
  152    HA   ASN  20           HA       ASN  20 -10.560   2.803   1.417
  153    HB2  ASN  20           1HB      ASN  20 -11.892   1.173   0.015
  154    HB3  ASN  20           2HB      ASN  20 -12.545   2.796   0.166
  155   HD21  ASN  20          1HD2      ASN  20 -11.058   0.491  -1.967
  156   HD22  ASN  20          2HD2      ASN  20 -11.459   1.300  -3.440
  157    H    GLU  21           H        GLU  21  -8.050   2.768   1.247
  158    HA   GLU  21           HA       GLU  21  -7.406   0.049   0.318
  159    HB2  GLU  21           1HB      GLU  21  -5.592   2.453   0.601
  160    HB3  GLU  21           2HB      GLU  21  -4.996   0.825   0.335
  161    HG2  GLU  21           1HG      GLU  21  -6.570   0.897  -1.741
  162    HG3  GLU  21           2HG      GLU  21  -6.469   2.638  -1.517
  163    H    GLU  22           H        GLU  22  -6.073  -1.223   1.735
  164    HA   GLU  22           HA       GLU  22  -5.960  -0.205   4.500
  165    HB2  GLU  22           1HB      GLU  22  -6.433  -2.394   5.358
  166    HB3  GLU  22           2HB      GLU  22  -7.676  -2.010   4.178
  167    HG2  GLU  22           1HG      GLU  22  -6.621  -3.433   2.539
  168    HG3  GLU  22           2HG      GLU  22  -5.270  -3.731   3.629
  169    H    LEU  23           H        LEU  23  -4.166  -0.963   5.775
  170    HA   LEU  23           HA       LEU  23  -1.833  -1.569   4.138
  171    HB2  LEU  23           1HB      LEU  23  -2.143   0.052   6.303
  172    HB3  LEU  23           2HB      LEU  23  -1.429  -1.364   7.029
  173    HG   LEU  23           HG       LEU  23   0.248   0.329   6.390
  174   HD11  LEU  23          1HD1      LEU  23   1.789  -1.120   5.258
  175   HD12  LEU  23          2HD1      LEU  23   0.465  -2.157   4.730
  176   HD13  LEU  23          3HD1      LEU  23   0.864  -2.043   6.444
  177   HD21  LEU  23          3HD2      LEU  23  -1.057   1.165   4.443
  178   HD22  LEU  23          1HD2      LEU  23  -0.533  -0.266   3.559
  179   HD23  LEU  23          2HD2      LEU  23   0.656   0.902   4.130
  180    H    ILE  24           H        ILE  24  -0.638  -3.319   4.326
  181    HA   ILE  24           HA       ILE  24  -1.842  -5.558   5.811
  182    HB   ILE  24           HB       ILE  24  -2.204  -6.870   3.957
  183   HG12  ILE  24          1HG1      ILE  24  -0.877  -5.748   1.746
  184   HG13  ILE  24          2HG1      ILE  24   0.297  -5.739   3.058
  185   HG21  ILE  24          1HG2      ILE  24  -2.400  -4.054   2.932
  186   HG22  ILE  24          2HG2      ILE  24  -3.676  -5.029   3.665
  187   HG23  ILE  24          3HG2      ILE  24  -3.037  -5.454   2.075
  188   HD11  ILE  24          3HD1      ILE  24   0.455  -7.767   1.741
  189   HD12  ILE  24          1HD1      ILE  24  -1.236  -8.131   2.085
  190   HD13  ILE  24          2HD1      ILE  24  -0.052  -8.120   3.393
  191    H    ALA  25           H        ALA  25   0.989  -4.136   4.327
  192    HA   ALA  25           HA       ALA  25   2.732  -5.634   6.052
  193    HB1  ALA  25           3HB      ALA  25   2.956  -6.106   3.078
  194    HB2  ALA  25           1HB      ALA  25   2.348  -7.277   4.248
  195    HB3  ALA  25           2HB      ALA  25   4.025  -6.741   4.326
  196    H    LEU  26           H        LEU  26   4.896  -4.915   5.952
  197    HA   LEU  26           HA       LEU  26   5.094  -2.198   4.862
  198    HB2  LEU  26           1HB      LEU  26   6.398  -3.527   7.219
  199    HB3  LEU  26           2HB      LEU  26   6.883  -1.944   6.631
  200    HG   LEU  26           HG       LEU  26   4.166  -2.684   7.734
  201   HD11  LEU  26          1HD1      LEU  26   6.379  -0.987   8.872
  202   HD12  LEU  26          2HD1      LEU  26   5.873  -2.574   9.453
  203   HD13  LEU  26          3HD1      LEU  26   4.777  -1.198   9.579
  204   HD21  LEU  26          3HD2      LEU  26   5.232  -0.072   6.674
  205   HD22  LEU  26          1HD2      LEU  26   3.775  -0.218   7.654
  206   HD23  LEU  26          2HD2      LEU  26   3.851  -0.989   6.074
  207    H    CYS  27           H        CYS  27   6.732  -1.674   3.518
  208    HA   CYS  27           HA       CYS  27   8.463  -3.897   2.662
  209    HB2  CYS  27           1HB      CYS  27   7.247  -1.628   1.071
  210    HB3  CYS  27           2HB      CYS  27   8.383  -2.793   0.409
  211    HG   CYS  27           HG       CYS  27   6.043  -3.695  -0.577
  212    H    GLN  28           H        GLN  28  10.375  -2.935   1.305
  213    HA   GLN  28           HA       GLN  28  11.732  -0.966   2.963
  214    HB2  GLN  28           1HB      GLN  28  12.764  -2.569   0.621
  215    HB3  GLN  28           2HB      GLN  28  13.729  -1.521   1.643
  216    HG2  GLN  28           1HG      GLN  28  13.244  -2.944   3.568
  217    HG3  GLN  28           2HG      GLN  28  12.287  -4.006   2.539
  218   HE21  GLN  28          1HE2      GLN  28  13.620  -5.749   3.041
  219   HE22  GLN  28          2HE2      GLN  28  15.198  -5.918   2.359
  220    H    LYS  29           H        LYS  29  13.190   0.570   1.608
  221    HA   LYS  29           HA       LYS  29  13.425   2.306   0.140
  222    HB2  LYS  29           1HB      LYS  29  11.301   0.870  -1.434
  223    HB3  LYS  29           2HB      LYS  29  12.246   2.229  -2.022
  224    HG2  LYS  29           1HG      LYS  29  14.261   0.943  -1.957
  225    HG3  LYS  29           2HG      LYS  29  13.438  -0.393  -1.150
  226    HD2  LYS  29           1HD      LYS  29  12.820   0.611  -3.928
  227    HD3  LYS  29           2HD      LYS  29  13.795  -0.810  -3.554
  228    HE2  LYS  29           1HE      LYS  29  11.845  -1.799  -2.400
  229    HE3  LYS  29           2HE      LYS  29  10.883  -0.401  -2.877
  230    HZ1  LYS  29           3HZ      LYS  29  12.156  -2.371  -4.694
  231    HZ2  LYS  29           1HZ      LYS  29  11.352  -0.975  -5.204
  232    HZ3  LYS  29           2HZ      LYS  29  10.504  -2.190  -4.399
  233    H    SER  30           H        SER  30  11.404   2.178   2.286
  234    HA   SER  30           HA       SER  30   9.946   3.598   3.287
  235    HB2  SER  30           1HB      SER  30  11.304   5.430   2.371
  236    HB3  SER  30           2HB      SER  30  10.397   5.359   0.861
  237    HG   SER  30           HG       SER  30   8.498   5.798   2.217
  238    H    LEU  31           H        LEU  31   9.231   1.557   1.202
  239    HA   LEU  31           HA       LEU  31   6.565   2.552   0.468
  240    HB2  LEU  31           1HB      LEU  31   8.173   0.219  -0.589
  241    HB3  LEU  31           2HB      LEU  31   6.529   0.569  -1.059
  242    HG   LEU  31           HG       LEU  31   8.892   2.386  -1.531
  243   HD11  LEU  31          1HD1      LEU  31   8.973   0.352  -2.888
  244   HD12  LEU  31          2HD1      LEU  31   8.636   1.774  -3.872
  245   HD13  LEU  31          3HD1      LEU  31   7.333   0.663  -3.453
  246   HD21  LEU  31          3HD2      LEU  31   6.014   2.581  -2.402
  247   HD22  LEU  31          1HD2      LEU  31   7.318   3.636  -2.949
  248   HD23  LEU  31          2HD2      LEU  31   6.835   3.638  -1.253
  249    H    LYS  32           H        LYS  32   4.719   1.261   0.957
  250    HA   LYS  32           HA       LYS  32   5.220  -1.257   2.322
  251    HB2  LYS  32           1HB      LYS  32   3.860  -0.814   4.179
  252    HB3  LYS  32           2HB      LYS  32   4.890   0.593   4.005
  253    HG2  LYS  32           1HG      LYS  32   2.086   0.492   2.970
  254    HG3  LYS  32           2HG      LYS  32   2.494   1.002   4.614
  255    HD2  LYS  32           1HD      LYS  32   3.973   2.747   3.616
  256    HD3  LYS  32           2HD      LYS  32   3.377   2.282   2.022
  257    HE2  LYS  32           1HE      LYS  32   2.109   4.171   2.708
  258    HE3  LYS  32           2HE      LYS  32   1.058   2.765   2.858
  259    HZ1  LYS  32           3HZ      LYS  32   2.501   4.122   5.072
  260    HZ2  LYS  32           1HZ      LYS  32   1.560   2.728   5.247
  261    HZ3  LYS  32           2HZ      LYS  32   0.838   4.181   4.780
  262    H    CYS  33           H        CYS  33   3.330  -2.667   2.380
  263    HA   CYS  33           HA       CYS  33   2.160  -2.613  -0.235
  264    HB2  CYS  33           1HB      CYS  33   2.984  -4.703   0.831
  265    HB3  CYS  33           2HB      CYS  33   1.689  -4.573   2.017
  266    HG   CYS  33           HG       CYS  33   1.116  -4.853  -1.340
  267    H    CYS  34           H        CYS  34   0.537  -1.328  -0.608
  268    HA   CYS  34           HA       CYS  34  -1.707  -1.269   1.295
  269    HB2  CYS  34           1HB      CYS  34  -1.178   0.680  -0.955
  270    HB3  CYS  34           2HB      CYS  34  -2.309   0.864   0.382
  271    HG   CYS  34           HG       CYS  34   1.065   0.694   0.887
  272    H    ARG  35           H        ARG  35  -3.545  -2.245   0.646
  273    HA   ARG  35           HA       ARG  35  -3.790  -2.834  -2.222
  274    HB2  ARG  35           1HB      ARG  35  -4.810  -4.995  -1.653
  275    HB3  ARG  35           2HB      ARG  35  -3.177  -4.868  -1.048
  276    HG2  ARG  35           1HG      ARG  35  -4.133  -4.314   1.175
  277    HG3  ARG  35           2HG      ARG  35  -5.726  -4.668   0.512
  278    HD2  ARG  35           1HD      ARG  35  -3.445  -6.609   0.382
  279    HD3  ARG  35           2HD      ARG  35  -4.571  -6.583   1.738
  280    HE   ARG  35           HE       ARG  35  -5.299  -7.154  -1.074
  281   HH11  ARG  35          1HH1      ARG  35  -5.857  -7.516   2.367
  282   HH12  ARG  35          2HH1      ARG  35  -7.096  -8.716   2.166
  283   HH21  ARG  35          1HH2      ARG  35  -6.900  -8.761  -1.327
  284   HH22  ARG  35          2HH2      ARG  35  -7.675  -9.436   0.079
  285    H    THR  36           H        THR  36  -5.550  -2.193  -3.156
  286    HA   THR  36           HA       THR  36  -7.444  -0.617  -1.759
  287    HB   THR  36           HB       THR  36  -7.804  -1.597  -4.575
  288    HG1  THR  36           HG1      THR  36  -5.757   0.023  -3.528
  289   HG21  THR  36          1HG2      THR  36  -8.716   0.646  -4.917
  290   HG22  THR  36          2HG2      THR  36  -8.338   1.067  -3.247
  291   HG23  THR  36          3HG2      THR  36  -9.549  -0.167  -3.593
  292    H    ILE  37           H        ILE  37  -9.381  -1.087  -1.017
  293    HA   ILE  37           HA       ILE  37 -10.385  -3.648  -0.664
  294    HB   ILE  37           HB       ILE  37 -11.878  -1.036  -0.783
  295   HG12  ILE  37          1HG1      ILE  37  -9.829  -1.362   0.742
  296   HG13  ILE  37          2HG1      ILE  37 -11.302  -0.760   1.471
  297   HG21  ILE  37          1HG2      ILE  37 -13.532  -2.140   0.649
  298   HG22  ILE  37          2HG2      ILE  37 -12.637  -3.653   0.520
  299   HG23  ILE  37          3HG2      ILE  37 -13.395  -2.953  -0.910
  300   HD11  ILE  37          3HD1      ILE  37 -10.432  -3.625   1.521
  301   HD12  ILE  37          1HD1      ILE  37 -11.758  -2.905   2.429
  302   HD13  ILE  37          2HD1      ILE  37 -10.087  -2.464   2.801
  303    H    GLN  38           H        GLN  38 -11.329  -5.036  -1.987
  304    HA   GLN  38           HA       GLN  38 -11.345  -4.637  -4.742
  305    HB2  GLN  38           1HB      GLN  38 -12.661  -6.762  -3.054
  306    HB3  GLN  38           2HB      GLN  38 -12.601  -6.817  -4.810
  307    HG2  GLN  38           1HG      GLN  38 -10.235  -6.808  -2.947
  308    HG3  GLN  38           2HG      GLN  38 -10.855  -8.190  -3.850
  309   HE21  GLN  38          1HE2      GLN  38 -10.578  -8.254  -6.090
  310   HE22  GLN  38          2HE2      GLN  38  -9.399  -7.272  -6.889
  311    HA   PRO  39           HA       PRO  39 -15.096  -2.732  -5.918
  312    HB2  PRO  39           1HB      PRO  39 -15.533  -4.925  -7.865
  313    HB3  PRO  39           2HB      PRO  39 -15.396  -3.185  -8.138
  314    HG2  PRO  39           1HG      PRO  39 -13.404  -4.821  -8.795
  315    HG3  PRO  39           2HG      PRO  39 -13.079  -3.225  -8.093
  316    HD2  PRO  39           1HD      PRO  39 -12.994  -5.920  -6.796
  317    HD3  PRO  39           2HD      PRO  39 -11.900  -4.536  -6.598
  318    H    SER  40           H        SER  40 -17.440  -3.539  -6.836
  319    HA   SER  40           HA       SER  40 -18.935  -4.077  -4.648
  320    HB2  SER  40           1HB      SER  40 -19.635  -4.830  -7.482
  321    HB3  SER  40           2HB      SER  40 -20.785  -4.612  -6.164
  322    HG   SER  40           HG       SER  40 -20.057  -2.431  -6.017
  323    H    GLY  41           H        GLY  41 -17.639  -6.511  -6.838
  324    HA2  GLY  41           1HA      GLY  41 -19.111  -8.685  -5.758
  325    HA3  GLY  41           2HA      GLY  41 -17.669  -8.810  -6.747
  326    H    SER  42           H        SER  42 -18.947  -9.497  -3.828
  327    HA   SER  42           HA       SER  42 -18.194 -10.160  -1.817
  328    HB2  SER  42           1HB      SER  42 -15.622 -10.629  -3.329
  329    HB3  SER  42           2HB      SER  42 -16.041 -11.325  -1.764
  330    HG   SER  42           HG       SER  42 -18.046 -11.838  -3.408
  331    H    ILE  43           H        ILE  43 -15.886  -9.994  -0.436
  332    HA   ILE  43           HA       ILE  43 -15.530  -7.129  -0.053
  333    HB   ILE  43           HB       ILE  43 -14.127  -7.993   1.944
  334   HG12  ILE  43          1HG1      ILE  43 -15.804 -10.458   1.549
  335   HG13  ILE  43          2HG1      ILE  43 -14.175 -10.363   0.891
  336   HG21  ILE  43          1HG2      ILE  43 -17.108  -8.453   1.841
  337   HG22  ILE  43          2HG2      ILE  43 -16.304  -6.917   2.164
  338   HG23  ILE  43          3HG2      ILE  43 -16.148  -8.252   3.306
  339   HD11  ILE  43          3HD1      ILE  43 -13.304  -9.987   3.148
  340   HD12  ILE  43          1HD1      ILE  43 -14.204 -11.499   3.036
  341   HD13  ILE  43          2HD1      ILE  43 -14.944 -10.087   3.790
  342    H    ILE  44           H        ILE  44 -13.014  -6.975   1.003
  343    HA   ILE  44           HA       ILE  44 -11.344  -7.329  -1.326
  344    HB   ILE  44           HB       ILE  44 -11.183  -5.284   0.048
  345   HG12  ILE  44          1HG1      ILE  44  -8.690  -6.990  -0.086
  346   HG13  ILE  44          2HG1      ILE  44  -9.272  -5.868  -1.309
  347   HG21  ILE  44          1HG2      ILE  44 -10.033  -7.101   2.155
  348   HG22  ILE  44          2HG2      ILE  44 -11.599  -6.292   2.223
  349   HG23  ILE  44          3HG2      ILE  44 -10.113  -5.341   2.232
  350   HD11  ILE  44          3HD1      ILE  44  -8.146  -5.201   1.395
  351   HD12  ILE  44          1HD1      ILE  44  -8.911  -4.015   0.334
  352   HD13  ILE  44          2HD1      ILE  44  -7.452  -4.852  -0.186
  353    H    ASP  45           H        ASP  45 -11.796  -8.780   1.793
  354    HA   ASP  45           HA       ASP  45 -10.881 -10.513   2.917
  355    HB2  ASP  45           1HB      ASP  45 -11.589 -11.772   0.893
  356    HB3  ASP  45           2HB      ASP  45 -10.002 -11.484   0.186
  Start of MODEL   14
    1    H    PHE   1           1H       PHE   1   9.455 -11.053  -1.623
    2    HA   PHE   1           HA       PHE   1   8.521 -12.986  -0.542
    3    HB2  PHE   1           1HB      PHE   1  10.218 -12.049   1.778
    4    HB3  PHE   1           2HB      PHE   1   8.950 -13.263   1.898
    5    HD1  PHE   1           HD2      PHE   1   9.227 -15.453   0.871
    6    HD2  PHE   1           HD1      PHE   1  12.340 -12.558   0.766
    7    HE1  PHE   1           HE2      PHE   1  10.828 -17.205   0.231
    8    HE2  PHE   1           HE1      PHE   1  13.946 -14.305   0.121
    9    HZ   PHE   1           HZ       PHE   1  13.193 -16.632  -0.146
   10    H    PHE   2           H        PHE   2   9.189  -9.775   0.804
   11    HA   PHE   2           HA       PHE   2   6.746  -9.470   2.163
   12    HB2  PHE   2           1HB      PHE   2   8.646  -7.427   1.010
   13    HB3  PHE   2           2HB      PHE   2   7.228  -6.994   1.956
   14    HD1  PHE   2           HD2      PHE   2   7.046  -8.149   4.291
   15    HD2  PHE   2           HD1      PHE   2  10.658  -7.730   2.082
   16    HE1  PHE   2           HE2      PHE   2   8.341  -8.418   6.364
   17    HE2  PHE   2           HE1      PHE   2  11.958  -7.997   4.153
   18    HZ   PHE   2           HZ       PHE   2  10.801  -8.341   6.297
   19    H    ASP   3           H        ASP   3   7.716  -8.232  -1.062
   20    HA   ASP   3           HA       ASP   3   4.965  -7.510  -1.542
   21    HB2  ASP   3           1HB      ASP   3   5.683  -6.549  -3.629
   22    HB3  ASP   3           2HB      ASP   3   6.709  -5.990  -2.319
   23    H    GLU   4           H        GLU   4   6.672 -10.291  -1.850
   24    HA   GLU   4           HA       GLU   4   5.351 -11.396  -4.116
   25    HB2  GLU   4           1HB      GLU   4   7.345 -12.442  -2.987
   26    HB3  GLU   4           2HB      GLU   4   6.298 -12.862  -1.638
   27    HG2  GLU   4           1HG      GLU   4   4.928 -14.227  -3.141
   28    HG3  GLU   4           2HG      GLU   4   6.004 -13.821  -4.477
   29    H    LYS   5           H        LYS   5   4.723 -11.210  -0.666
   30    HA   LYS   5           HA       LYS   5   2.128 -12.326  -0.711
   31    HB2  LYS   5           1HB      LYS   5   3.570 -11.927   1.329
   32    HB3  LYS   5           2HB      LYS   5   3.182 -10.222   1.183
   33    HG2  LYS   5           1HG      LYS   5   1.782 -11.237   2.853
   34    HG3  LYS   5           2HG      LYS   5   0.800 -10.752   1.471
   35    HD2  LYS   5           1HD      LYS   5   0.123 -12.948   2.256
   36    HD3  LYS   5           2HD      LYS   5   0.842 -13.072   0.650
   37    HE2  LYS   5           1HE      LYS   5   2.957 -13.789   1.658
   38    HE3  LYS   5           2HE      LYS   5   2.233 -13.667   3.261
   39    HZ1  LYS   5           3HZ      LYS   5   0.677 -15.392   2.671
   40    HZ2  LYS   5           1HZ      LYS   5   2.254 -15.944   2.418
   41    HZ3  LYS   5           2HZ      LYS   5   1.302 -15.478   1.104
   42    H    CYS   6           H        CYS   6   3.402  -9.062  -1.174
   43    HA   CYS   6           HA       CYS   6   1.010  -7.627  -1.203
   44    HB2  CYS   6           1HB      CYS   6   3.329  -6.647  -1.217
   45    HB3  CYS   6           2HB      CYS   6   3.453  -7.087  -2.913
   46    HG   CYS   6           HG       CYS   6   1.489  -5.354  -3.792
   47    H    ASN   7           H        ASN   7   2.712  -9.289  -3.827
   48    HA   ASN   7           HA       ASN   7   0.934  -8.585  -5.888
   49    HB2  ASN   7           1HB      ASN   7   3.174  -9.446  -6.333
   50    HB3  ASN   7           2HB      ASN   7   2.703 -10.993  -5.657
   51   HD21  ASN   7          1HD2      ASN   7   2.311  -8.803  -8.324
   52   HD22  ASN   7          2HD2      ASN   7   1.634  -9.952  -9.428
   53    H    LYS   8           H        LYS   8   0.952 -11.219  -3.575
   54    HA   LYS   8           HA       LYS   8  -1.154 -12.703  -4.765
   55    HB2  LYS   8           1HB      LYS   8   0.464 -13.645  -3.134
   56    HB3  LYS   8           2HB      LYS   8  -0.264 -12.665  -1.874
   57    HG2  LYS   8           1HG      LYS   8  -1.058 -14.945  -1.748
   58    HG3  LYS   8           2HG      LYS   8  -2.378 -13.852  -2.160
   59    HD2  LYS   8           1HD      LYS   8  -2.684 -15.692  -3.573
   60    HD3  LYS   8           2HD      LYS   8  -1.905 -14.489  -4.595
   61    HE2  LYS   8           1HE      LYS   8  -0.426 -16.701  -3.180
   62    HE3  LYS   8           2HE      LYS   8  -1.031 -16.832  -4.827
   63    HZ1  LYS   8           3HZ      LYS   8   0.356 -14.826  -5.336
   64    HZ2  LYS   8           1HZ      LYS   8   1.228 -16.225  -4.957
   65    HZ3  LYS   8           2HZ      LYS   8   1.062 -15.001  -3.810
   66    H    LEU   9           H        LEU   9  -1.043 -10.067  -2.449
   67    HA   LEU   9           HA       LEU   9  -3.906 -10.137  -2.016
   68    HB2  LEU   9           1HB      LEU   9  -1.686  -8.375  -1.055
   69    HB3  LEU   9           2HB      LEU   9  -3.344  -7.835  -0.911
   70    HG   LEU   9           HG       LEU   9  -2.660  -8.777   1.180
   71   HD11  LEU   9          1HD1      LEU   9  -4.333 -10.484   1.506
   72   HD12  LEU   9          2HD1      LEU   9  -4.444 -10.744  -0.233
   73   HD13  LEU   9          3HD1      LEU   9  -4.958  -9.207   0.462
   74   HD21  LEU   9          3HD2      LEU   9  -2.002 -11.311  -0.307
   75   HD22  LEU   9          1HD2      LEU   9  -1.898 -11.059   1.436
   76   HD23  LEU   9          2HD2      LEU   9  -0.826 -10.171   0.350
   77    H    LYS  10           H        LYS  10  -1.923  -9.080  -4.429
   78    HA   LYS  10           HA       LYS  10  -2.283  -7.935  -6.348
   79    HB2  LYS  10           1HB      LYS  10  -5.145  -7.774  -5.383
   80    HB3  LYS  10           2HB      LYS  10  -4.598  -7.368  -7.001
   81    HG2  LYS  10           1HG      LYS  10  -4.387 -10.093  -5.734
   82    HG3  LYS  10           2HG      LYS  10  -5.641  -9.590  -6.868
   83    HD2  LYS  10           1HD      LYS  10  -2.683  -9.628  -7.461
   84    HD3  LYS  10           2HD      LYS  10  -3.826 -10.885  -7.937
   85    HE2  LYS  10           1HE      LYS  10  -5.082  -9.212  -9.239
   86    HE3  LYS  10           2HE      LYS  10  -3.887  -7.995  -8.796
   87    HZ1  LYS  10           3HZ      LYS  10  -3.426  -8.866 -10.979
   88    HZ2  LYS  10           1HZ      LYS  10  -3.375 -10.450 -10.387
   89    HZ3  LYS  10           2HZ      LYS  10  -2.195  -9.334  -9.918
   90    H    GLY  11           H        GLY  11  -1.363  -6.593  -4.028
   91    HA2  GLY  11           1HA      GLY  11  -2.508  -3.898  -4.437
   92    HA3  GLY  11           2HA      GLY  11  -1.742  -4.430  -2.946
   93    H    THR  12           H        THR  12  -0.769  -2.168  -3.803
   94    HA   THR  12           HA       THR  12   1.778  -2.896  -5.110
   95    HB   THR  12           HB       THR  12   0.539  -0.161  -5.338
   96    HG1  THR  12           HG1      THR  12  -0.941  -1.581  -6.303
   97   HG21  THR  12          1HG2      THR  12   2.569  -1.635  -7.020
   98   HG22  THR  12          2HG2      THR  12   2.921  -0.357  -5.857
   99   HG23  THR  12          3HG2      THR  12   1.988   0.006  -7.308
  100    H    CYS  13           H        CYS  13   3.642  -1.818  -4.319
  101    HA   CYS  13           HA       CYS  13   3.418  -0.925  -1.575
  102    HB2  CYS  13           1HB      CYS  13   5.986  -0.849  -3.135
  103    HB3  CYS  13           2HB      CYS  13   5.731  -1.169  -1.425
  104    HG   CYS  13           HG       CYS  13   5.820  -3.298  -3.983
  105    H    LYS  14           H        LYS  14   2.610   1.063  -1.388
  106    HA   LYS  14           HA       LYS  14   3.911   3.204  -2.925
  107    HB2  LYS  14           1HB      LYS  14   1.753   4.429  -2.886
  108    HB3  LYS  14           2HB      LYS  14   1.674   2.932  -3.803
  109    HG2  LYS  14           1HG      LYS  14   0.609   1.831  -1.885
  110    HG3  LYS  14           2HG      LYS  14   0.657   3.358  -1.002
  111    HD2  LYS  14           1HD      LYS  14  -1.537   3.082  -1.931
  112    HD3  LYS  14           2HD      LYS  14  -0.716   4.377  -2.804
  113    HE2  LYS  14           1HE      LYS  14  -0.215   2.856  -4.631
  114    HE3  LYS  14           2HE      LYS  14  -0.942   1.517  -3.744
  115    HZ1  LYS  14           3HZ      LYS  14  -3.067   2.785  -3.796
  116    HZ2  LYS  14           1HZ      LYS  14  -2.509   2.305  -5.325
  117    HZ3  LYS  14           2HZ      LYS  14  -2.322   3.908  -4.827
  118    H    ASN  15           H        ASN  15   3.640   5.382  -1.789
  119    HA   ASN  15           HA       ASN  15   4.669   5.039   0.841
  120    HB2  ASN  15           1HB      ASN  15   4.084   7.426  -0.874
  121    HB3  ASN  15           2HB      ASN  15   4.573   7.615   0.804
  122   HD21  ASN  15          1HD2      ASN  15   6.661   6.990   1.420
  123   HD22  ASN  15          2HD2      ASN  15   7.919   6.770   0.252
  124    H    ASN  16           H        ASN  16   1.694   6.499  -0.456
  125    HA   ASN  16           HA       ASN  16   0.506   6.128   2.217
  126    HB2  ASN  16           1HB      ASN  16  -0.695   8.184   2.029
  127    HB3  ASN  16           2HB      ASN  16   0.978   8.551   1.626
  128   HD21  ASN  16          1HD2      ASN  16   1.527   8.853  -0.587
  129   HD22  ASN  16          2HD2      ASN  16   0.329   9.367  -1.724
  130    H    CYS  17           H        CYS  17  -1.576   5.327   2.259
  131    HA   CYS  17           HA       CYS  17  -2.356   3.774   0.010
  132    HB2  CYS  17           1HB      CYS  17  -4.033   4.418   2.440
  133    HB3  CYS  17           2HB      CYS  17  -4.188   3.031   1.374
  134    HG   CYS  17           HG       CYS  17  -1.422   2.269   2.176
  135    H    GLY  18           H        GLY  18  -4.014   4.061  -1.426
  136    HA2  GLY  18           1HA      GLY  18  -4.964   6.789  -1.746
  137    HA3  GLY  18           2HA      GLY  18  -5.144   5.473  -2.898
  138    H    LYS  19           H        LYS  19  -7.351   6.168  -3.120
  139    HA   LYS  19           HA       LYS  19  -9.176   6.299  -1.022
  140    HB2  LYS  19           1HB      LYS  19 -10.919   5.900  -2.812
  141    HB3  LYS  19           2HB      LYS  19  -9.833   7.251  -3.080
  142    HG2  LYS  19           1HG      LYS  19  -9.865   6.340  -5.166
  143    HG3  LYS  19           2HG      LYS  19  -8.492   5.473  -4.484
  144    HD2  LYS  19           1HD      LYS  19  -9.910   3.559  -3.999
  145    HD3  LYS  19           2HD      LYS  19 -11.324   4.432  -4.589
  146    HE2  LYS  19           1HE      LYS  19 -10.522   2.880  -6.275
  147    HE3  LYS  19           2HE      LYS  19 -10.315   4.542  -6.821
  148    HZ1  LYS  19           3HZ      LYS  19  -8.180   2.830  -5.671
  149    HZ2  LYS  19           1HZ      LYS  19  -7.983   4.413  -6.224
  150    HZ3  LYS  19           2HZ      LYS  19  -8.377   3.180  -7.310
  151    H    ASN  20           H        ASN  20  -9.934   4.869   0.293
  152    HA   ASN  20           HA       ASN  20 -10.575   2.935   1.272
  153    HB2  ASN  20           1HB      ASN  20 -12.245   3.155  -0.622
  154    HB3  ASN  20           2HB      ASN  20 -11.273   1.988  -1.510
  155   HD21  ASN  20          1HD2      ASN  20 -13.071   0.597  -1.558
  156   HD22  ASN  20          2HD2      ASN  20 -13.522  -0.333  -0.172
  157    H    GLU  21           H        GLU  21  -7.869   3.061   0.829
  158    HA   GLU  21           HA       GLU  21  -7.236   0.233   0.314
  159    HB2  GLU  21           1HB      GLU  21  -5.566   2.700  -0.144
  160    HB3  GLU  21           2HB      GLU  21  -4.854   1.098  -0.050
  161    HG2  GLU  21           1HG      GLU  21  -6.405   0.427  -1.907
  162    HG3  GLU  21           2HG      GLU  21  -6.817   2.129  -2.073
  163    H    GLU  22           H        GLU  22  -6.146  -0.883   1.826
  164    HA   GLU  22           HA       GLU  22  -5.593   0.520   4.350
  165    HB2  GLU  22           1HB      GLU  22  -6.004  -1.547   5.499
  166    HB3  GLU  22           2HB      GLU  22  -7.342  -1.275   4.395
  167    HG2  GLU  22           1HG      GLU  22  -6.514  -2.905   2.871
  168    HG3  GLU  22           2HG      GLU  22  -5.004  -3.054   3.769
  169    H    LEU  23           H        LEU  23  -3.712  -0.148   5.558
  170    HA   LEU  23           HA       LEU  23  -1.448  -0.724   3.849
  171    HB2  LEU  23           1HB      LEU  23  -1.717   0.850   6.027
  172    HB3  LEU  23           2HB      LEU  23  -1.139  -0.615   6.795
  173    HG   LEU  23           HG       LEU  23   0.933  -0.543   5.576
  174   HD11  LEU  23          1HD1      LEU  23   0.332   0.083   3.410
  175   HD12  LEU  23          2HD1      LEU  23   1.288   1.443   4.004
  176   HD13  LEU  23          3HD1      LEU  23  -0.471   1.556   3.958
  177   HD21  LEU  23          3HD2      LEU  23   0.791   0.916   7.527
  178   HD22  LEU  23          1HD2      LEU  23   0.195   2.229   6.511
  179   HD23  LEU  23          2HD2      LEU  23   1.831   1.611   6.284
  180    H    ILE  24           H        ILE  24  -0.776  -2.679   3.448
  181    HA   ILE  24           HA       ILE  24  -1.918  -4.872   5.029
  182    HB   ILE  24           HB       ILE  24  -2.185  -6.107   3.129
  183   HG12  ILE  24          1HG1      ILE  24  -0.227  -4.627   1.434
  184   HG13  ILE  24          2HG1      ILE  24   0.421  -5.702   2.671
  185   HG21  ILE  24          1HG2      ILE  24  -2.806  -4.622   1.244
  186   HG22  ILE  24          2HG2      ILE  24  -2.087  -3.271   2.121
  187   HG23  ILE  24          3HG2      ILE  24  -3.479  -4.119   2.795
  188   HD11  ILE  24          3HD1      ILE  24   0.251  -6.853   0.582
  189   HD12  ILE  24          1HD1      ILE  24  -1.463  -6.451   0.465
  190   HD13  ILE  24          2HD1      ILE  24  -0.895  -7.528   1.740
  191    H    ALA  25           H        ALA  25   1.097  -3.579   3.799
  192    HA   ALA  25           HA       ALA  25   2.643  -5.298   5.504
  193    HB1  ALA  25           3HB      ALA  25   3.872  -6.465   3.756
  194    HB2  ALA  25           1HB      ALA  25   2.863  -5.712   2.521
  195    HB3  ALA  25           2HB      ALA  25   2.153  -6.852   3.663
  196    H    LEU  26           H        LEU  26   5.031  -5.031   4.946
  197    HA   LEU  26           HA       LEU  26   5.508  -2.244   4.155
  198    HB2  LEU  26           1HB      LEU  26   5.620  -2.379   6.523
  199    HB3  LEU  26           2HB      LEU  26   6.622  -3.809   6.471
  200    HG   LEU  26           HG       LEU  26   8.422  -2.370   5.441
  201   HD11  LEU  26          1HD1      LEU  26   6.409  -0.234   6.108
  202   HD12  LEU  26          2HD1      LEU  26   7.219  -0.546   4.568
  203   HD13  LEU  26          3HD1      LEU  26   8.137   0.096   5.930
  204   HD21  LEU  26          3HD2      LEU  26   9.064  -1.344   7.568
  205   HD22  LEU  26          1HD2      LEU  26   8.461  -2.986   7.797
  206   HD23  LEU  26          2HD2      LEU  26   7.432  -1.607   8.185
  207    H    CYS  27           H        CYS  27   7.382  -1.824   3.076
  208    HA   CYS  27           HA       CYS  27   8.829  -4.171   2.052
  209    HB2  CYS  27           1HB      CYS  27   7.261  -2.120   0.577
  210    HB3  CYS  27           2HB      CYS  27   8.746  -2.686  -0.173
  211    HG   CYS  27           HG       CYS  27   5.791  -4.123  -0.071
  212    H    GLN  28           H        GLN  28  10.636  -3.192   0.452
  213    HA   GLN  28           HA       GLN  28  12.436  -1.767   2.134
  214    HB2  GLN  28           1HB      GLN  28  12.674  -2.308  -0.823
  215    HB3  GLN  28           2HB      GLN  28  13.978  -1.856   0.258
  216    HG2  GLN  28           1HG      GLN  28  13.790  -3.937   1.443
  217    HG3  GLN  28           2HG      GLN  28  12.377  -4.391   0.494
  218   HE21  GLN  28          1HE2      GLN  28  15.828  -4.063   0.525
  219   HE22  GLN  28          2HE2      GLN  28  16.123  -4.905  -0.956
  220    H    LYS  29           H        LYS  29  13.652   0.180   1.165
  221    HA   LYS  29           HA       LYS  29  13.639   2.416   0.711
  222    HB2  LYS  29           1HB      LYS  29  11.328   1.685  -1.080
  223    HB3  LYS  29           2HB      LYS  29  12.187   3.216  -1.115
  224    HG2  LYS  29           1HG      LYS  29  14.236   2.034  -1.770
  225    HG3  LYS  29           2HG      LYS  29  13.344   0.511  -1.758
  226    HD2  LYS  29           1HD      LYS  29  12.780   2.893  -3.529
  227    HD3  LYS  29           2HD      LYS  29  13.543   1.384  -4.030
  228    HE2  LYS  29           1HE      LYS  29  11.506   0.159  -3.515
  229    HE3  LYS  29           2HE      LYS  29  10.744   1.636  -2.932
  230    HZ1  LYS  29           3HZ      LYS  29  11.629   1.124  -5.718
  231    HZ2  LYS  29           1HZ      LYS  29  10.933   2.561  -5.163
  232    HZ3  LYS  29           2HZ      LYS  29  10.034   1.133  -5.167
  233    H    SER  30           H        SER  30  11.714   1.085   2.661
  234    HA   SER  30           HA       SER  30  10.132   1.549   4.169
  235    HB2  SER  30           1HB      SER  30   9.861   3.801   4.996
  236    HB3  SER  30           2HB      SER  30  11.563   3.520   4.650
  237    HG   SER  30           HG       SER  30  10.795   4.512   2.467
  238    H    LEU  31           H        LEU  31   9.426   1.292   1.249
  239    HA   LEU  31           HA       LEU  31   6.918   2.672   1.017
  240    HB2  LEU  31           1HB      LEU  31   8.346   0.526  -0.508
  241    HB3  LEU  31           2HB      LEU  31   6.643   0.774  -0.790
  242    HG   LEU  31           HG       LEU  31   8.313   1.927  -2.348
  243   HD11  LEU  31          1HD1      LEU  31   6.204   3.617  -1.013
  244   HD12  LEU  31          2HD1      LEU  31   5.904   2.416  -2.271
  245   HD13  LEU  31          3HD1      LEU  31   6.865   3.849  -2.632
  246   HD21  LEU  31          3HD2      LEU  31   8.475   3.839  -0.034
  247   HD22  LEU  31          1HD2      LEU  31   9.122   4.103  -1.653
  248   HD23  LEU  31          2HD2      LEU  31   9.793   2.833  -0.631
  249    H    LYS  32           H        LYS  32   4.824   1.676   1.138
  250    HA   LYS  32           HA       LYS  32   4.797  -0.876   2.600
  251    HB2  LYS  32           1HB      LYS  32   3.231   1.614   3.187
  252    HB3  LYS  32           2HB      LYS  32   2.645   0.034   3.683
  253    HG2  LYS  32           1HG      LYS  32   3.760   0.526   5.571
  254    HG3  LYS  32           2HG      LYS  32   5.123  -0.099   4.653
  255    HD2  LYS  32           1HD      LYS  32   5.920   1.907   5.546
  256    HD3  LYS  32           2HD      LYS  32   5.502   2.306   3.882
  257    HE2  LYS  32           1HE      LYS  32   3.615   2.764   6.181
  258    HE3  LYS  32           2HE      LYS  32   4.804   3.963   5.684
  259    HZ1  LYS  32           3HZ      LYS  32   2.714   4.448   4.662
  260    HZ2  LYS  32           1HZ      LYS  32   2.586   2.886   4.034
  261    HZ3  LYS  32           2HZ      LYS  32   3.782   3.932   3.458
  262    H    CYS  33           H        CYS  33   3.090  -2.266   2.180
  263    HA   CYS  33           HA       CYS  33   2.121  -1.989  -0.529
  264    HB2  CYS  33           1HB      CYS  33   1.924  -4.242   1.470
  265    HB3  CYS  33           2HB      CYS  33   1.385  -4.330  -0.199
  266    HG   CYS  33           HG       CYS  33   3.854  -4.199  -1.344
  267    H    CYS  34           H        CYS  34   0.125  -1.430  -1.079
  268    HA   CYS  34           HA       CYS  34  -1.923  -1.369   1.039
  269    HB2  CYS  34           1HB      CYS  34  -1.630   0.567  -1.270
  270    HB3  CYS  34           2HB      CYS  34  -2.835   0.644   0.012
  271    HG   CYS  34           HG       CYS  34   0.498   0.824   0.717
  272    H    ARG  35           H        ARG  35  -3.845  -2.289   0.578
  273    HA   ARG  35           HA       ARG  35  -4.246  -3.201  -2.199
  274    HB2  ARG  35           1HB      ARG  35  -5.367  -5.177  -1.392
  275    HB3  ARG  35           2HB      ARG  35  -3.796  -5.069  -0.621
  276    HG2  ARG  35           1HG      ARG  35  -5.082  -3.961   1.326
  277    HG3  ARG  35           2HG      ARG  35  -6.511  -4.661   0.563
  278    HD2  ARG  35           1HD      ARG  35  -5.426  -6.886   0.672
  279    HD3  ARG  35           2HD      ARG  35  -4.062  -6.157   1.500
  280    HE   ARG  35           HE       ARG  35  -6.569  -5.659   2.810
  281   HH11  ARG  35          1HH1      ARG  35  -3.925  -7.942   2.469
  282   HH12  ARG  35          2HH1      ARG  35  -4.193  -8.666   4.019
  283   HH21  ARG  35          1HH2      ARG  35  -6.909  -6.617   4.835
  284   HH22  ARG  35          2HH2      ARG  35  -5.889  -7.925   5.355
  285    H    THR  36           H        THR  36  -6.138  -2.738  -3.160
  286    HA   THR  36           HA       THR  36  -7.807  -0.793  -1.825
  287    HB   THR  36           HB       THR  36  -8.284  -1.881  -4.592
  288    HG1  THR  36           HG1      THR  36  -6.148  -0.382  -3.657
  289   HG21  THR  36          1HG2      THR  36  -9.995  -0.410  -3.649
  290   HG22  THR  36          2HG2      THR  36  -9.152   0.386  -4.978
  291   HG23  THR  36          3HG2      THR  36  -8.771   0.812  -3.310
  292    H    ILE  37           H        ILE  37  -9.543  -1.281  -0.724
  293    HA   ILE  37           HA       ILE  37 -10.510  -3.890  -0.470
  294    HB   ILE  37           HB       ILE  37 -11.639  -1.239   0.382
  295   HG12  ILE  37          1HG1      ILE  37  -9.449  -2.570   1.205
  296   HG13  ILE  37          2HG1      ILE  37 -10.401  -1.536   2.265
  297   HG21  ILE  37          1HG2      ILE  37 -12.626  -4.005   1.083
  298   HG22  ILE  37          2HG2      ILE  37 -13.503  -2.785   0.161
  299   HG23  ILE  37          3HG2      ILE  37 -13.140  -2.512   1.865
  300   HD11  ILE  37          3HD1      ILE  37  -9.735  -3.807   3.132
  301   HD12  ILE  37          1HD1      ILE  37 -10.881  -4.473   1.971
  302   HD13  ILE  37          2HD1      ILE  37 -11.448  -3.400   3.251
  303    H    GLN  38           H        GLN  38 -11.401  -4.932  -2.018
  304    HA   GLN  38           HA       GLN  38 -13.493  -3.655  -3.649
  305    HB2  GLN  38           1HB      GLN  38 -13.011  -5.366  -5.349
  306    HB3  GLN  38           2HB      GLN  38 -11.576  -4.423  -4.974
  307    HG2  GLN  38           1HG      GLN  38 -10.759  -6.229  -3.547
  308    HG3  GLN  38           2HG      GLN  38 -12.199  -7.174  -3.918
  309   HE21  GLN  38          1HE2      GLN  38 -12.210  -6.260  -6.715
  310   HE22  GLN  38          2HE2      GLN  38 -10.948  -7.144  -7.497
  311    HA   PRO  39           HA       PRO  39 -16.344  -6.434  -1.692
  312    HB2  PRO  39           1HB      PRO  39 -18.271  -6.579  -3.567
  313    HB3  PRO  39           2HB      PRO  39 -18.026  -5.133  -2.575
  314    HG2  PRO  39           1HG      PRO  39 -16.986  -5.739  -5.305
  315    HG3  PRO  39           2HG      PRO  39 -17.842  -4.280  -4.769
  316    HD2  PRO  39           1HD      PRO  39 -15.183  -4.305  -4.982
  317    HD3  PRO  39           2HD      PRO  39 -15.962  -3.498  -3.602
  318    H    SER  40           H        SER  40 -15.840  -8.519  -1.467
  319    HA   SER  40           HA       SER  40 -16.300 -10.502  -3.372
  320    HB2  SER  40           1HB      SER  40 -14.274  -9.305  -4.419
  321    HB3  SER  40           2HB      SER  40 -13.341  -9.961  -3.074
  322    HG   SER  40           HG       SER  40 -14.497 -11.256  -5.257
  323    H    GLY  41           H        GLY  41 -15.491 -12.618  -2.628
  324    HA2  GLY  41           1HA      GLY  41 -15.514 -12.711   0.266
  325    HA3  GLY  41           2HA      GLY  41 -15.589 -14.087  -0.823
  326    H    SER  42           H        SER  42 -13.799 -12.840   1.519
  327    HA   SER  42           HA       SER  42 -11.706 -13.238   2.295
  328    HB2  SER  42           1HB      SER  42 -11.414 -15.098  -0.080
  329    HB3  SER  42           2HB      SER  42 -10.456 -15.119   1.401
  330    HG   SER  42           HG       SER  42 -12.964 -15.266   2.156
  331    H    ILE  43           H        ILE  43  -9.388 -13.877   0.603
  332    HA   ILE  43           HA       ILE  43  -7.770 -12.924  -0.657
  333    HB   ILE  43           HB       ILE  43  -9.819 -10.869  -1.521
  334   HG12  ILE  43          1HG1      ILE  43  -8.842 -13.366  -2.933
  335   HG13  ILE  43          2HG1      ILE  43 -10.423 -13.175  -2.184
  336   HG21  ILE  43          1HG2      ILE  43  -8.254 -10.397  -3.345
  337   HG22  ILE  43          2HG2      ILE  43  -7.109 -11.552  -2.664
  338   HG23  ILE  43          3HG2      ILE  43  -7.518 -10.087  -1.772
  339   HD11  ILE  43          3HD1      ILE  43 -10.516 -12.909  -4.605
  340   HD12  ILE  43          1HD1      ILE  43  -9.382 -11.563  -4.501
  341   HD13  ILE  43          2HD1      ILE  43 -10.982 -11.427  -3.772
  342    H    ILE  44           H        ILE  44  -9.612 -10.002   0.226
  343    HA   ILE  44           HA       ILE  44  -7.152  -8.931   1.373
  344    HB   ILE  44           HB       ILE  44  -8.308  -6.774   1.428
  345   HG12  ILE  44          1HG1      ILE  44 -10.642  -8.297   0.255
  346   HG13  ILE  44          2HG1      ILE  44 -10.588  -7.526   1.837
  347   HG21  ILE  44          1HG2      ILE  44  -8.536  -6.432  -0.994
  348   HG22  ILE  44          2HG2      ILE  44  -8.518  -8.185  -1.226
  349   HG23  ILE  44          3HG2      ILE  44  -7.095  -7.367  -0.580
  350   HD11  ILE  44          3HD1      ILE  44 -10.172  -5.353   0.587
  351   HD12  ILE  44          1HD1      ILE  44 -11.789  -6.058   0.469
  352   HD13  ILE  44          2HD1      ILE  44 -10.650  -6.239  -0.865
  353    H    ASP  45           H        ASP  45  -8.867 -10.985   2.700
  354    HA   ASP  45           HA       ASP  45  -9.488  -9.495   5.159
  355    HB2  ASP  45           1HB      ASP  45 -10.574 -12.101   4.096
  356    HB3  ASP  45           2HB      ASP  45 -10.777 -11.613   5.774
  Start of MODEL   15
    1    H    PHE   1           1H       PHE   1   9.168 -11.676   1.041
    2    HA   PHE   1           HA       PHE   1   7.536 -14.111   1.371
    3    HB2  PHE   1           1HB      PHE   1   9.045 -12.475   3.420
    4    HB3  PHE   1           2HB      PHE   1   7.983 -13.828   3.783
    5    HD1  PHE   1           HD2      PHE   1   8.607 -16.069   2.536
    6    HD2  PHE   1           HD1      PHE   1  11.300 -12.857   3.272
    7    HE1  PHE   1           HE2      PHE   1  10.507 -17.617   2.320
    8    HE2  PHE   1           HE1      PHE   1  13.205 -14.398   3.056
    9    HZ   PHE   1           HZ       PHE   1  12.810 -16.781   2.580
   10    H    PHE   2           H        PHE   2   7.848 -11.013   3.088
   11    HA   PHE   2           HA       PHE   2   5.123 -10.856   3.694
   12    HB2  PHE   2           1HB      PHE   2   7.104  -8.581   3.527
   13    HB3  PHE   2           2HB      PHE   2   5.566  -8.550   4.379
   14    HD1  PHE   2           HD2      PHE   2   5.250 -10.278   6.261
   15    HD2  PHE   2           HD1      PHE   2   9.034  -9.223   4.628
   16    HE1  PHE   2           HE2      PHE   2   6.360 -11.137   8.280
   17    HE2  PHE   2           HE1      PHE   2  10.150 -10.081   6.644
   18    HZ   PHE   2           HZ       PHE   2   8.812 -11.039   8.475
   19    H    ASP   3           H        ASP   3   6.986  -9.195   1.142
   20    HA   ASP   3           HA       ASP   3   4.469  -8.258   0.046
   21    HB2  ASP   3           1HB      ASP   3   5.767  -6.934  -1.519
   22    HB3  ASP   3           2HB      ASP   3   6.268  -6.627   0.136
   23    H    GLU   4           H        GLU   4   5.993 -11.075  -0.116
   24    HA   GLU   4           HA       GLU   4   5.368 -11.642  -2.883
   25    HB2  GLU   4           1HB      GLU   4   7.036 -13.010  -1.623
   26    HB3  GLU   4           2HB      GLU   4   5.745 -13.568  -0.568
   27    HG2  GLU   4           1HG      GLU   4   6.257 -15.239  -2.234
   28    HG3  GLU   4           2HG      GLU   4   4.631 -14.605  -2.485
   29    H    LYS   5           H        LYS   5   3.939 -12.004   0.308
   30    HA   LYS   5           HA       LYS   5   1.390 -12.877  -0.443
   31    HB2  LYS   5           1HB      LYS   5   2.201 -12.750   1.889
   32    HB3  LYS   5           2HB      LYS   5   2.182 -10.999   1.789
   33    HG2  LYS   5           1HG      LYS   5   0.251 -11.771   2.996
   34    HG3  LYS   5           2HG      LYS   5  -0.255 -11.065   1.460
   35    HD2  LYS   5           1HD      LYS   5  -0.629 -13.206   0.502
   36    HD3  LYS   5           2HD      LYS   5   0.170 -14.019   1.850
   37    HE2  LYS   5           1HE      LYS   5  -2.276 -14.209   1.979
   38    HE3  LYS   5           2HE      LYS   5  -1.611 -13.325   3.352
   39    HZ1  LYS   5           3HZ      LYS   5  -2.245 -11.255   2.272
   40    HZ2  LYS   5           1HZ      LYS   5  -3.591 -12.254   2.492
   41    HZ3  LYS   5           2HZ      LYS   5  -2.888 -12.109   0.963
   42    H    CYS   6           H        CYS   6   2.845  -9.654  -0.255
   43    HA   CYS   6           HA       CYS   6   0.603  -8.139  -0.995
   44    HB2  CYS   6           1HB      CYS   6   2.754  -7.217  -0.105
   45    HB3  CYS   6           2HB      CYS   6   3.503  -7.578  -1.654
   46    HG   CYS   6           HG       CYS   6   1.794  -5.807  -3.074
   47    H    ASN   7           H        ASN   7   3.132  -9.660  -2.937
   48    HA   ASN   7           HA       ASN   7   2.352  -8.831  -5.477
   49    HB2  ASN   7           1HB      ASN   7   4.468  -9.968  -5.041
   50    HB3  ASN   7           2HB      ASN   7   3.616 -11.440  -4.608
   51   HD21  ASN   7          1HD2      ASN   7   4.621 -12.659  -6.155
   52   HD22  ASN   7          2HD2      ASN   7   4.290 -12.481  -7.848
   53    H    LYS   8           H        LYS   8   1.551 -11.860  -3.806
   54    HA   LYS   8           HA       LYS   8  -0.208 -12.864  -5.740
   55    HB2  LYS   8           1HB      LYS   8   0.861 -14.010  -3.673
   56    HB3  LYS   8           2HB      LYS   8  -0.540 -13.407  -2.808
   57    HG2  LYS   8           1HG      LYS   8  -0.739 -15.138  -5.257
   58    HG3  LYS   8           2HG      LYS   8  -0.692 -15.778  -3.616
   59    HD2  LYS   8           1HD      LYS   8  -2.725 -14.598  -3.058
   60    HD3  LYS   8           2HD      LYS   8  -2.740 -13.815  -4.637
   61    HE2  LYS   8           1HE      LYS   8  -3.000 -16.000  -5.711
   62    HE3  LYS   8           2HE      LYS   8  -2.993 -16.777  -4.129
   63    HZ1  LYS   8           3HZ      LYS   8  -4.995 -14.785  -5.043
   64    HZ2  LYS   8           1HZ      LYS   8  -5.002 -15.599  -3.562
   65    HZ3  LYS   8           2HZ      LYS   8  -5.236 -16.457  -4.998
   66    H    LEU   9           H        LEU   9  -0.858 -10.933  -2.829
   67    HA   LEU   9           HA       LEU   9  -3.677 -10.908  -3.167
   68    HB2  LEU   9           1HB      LEU   9  -2.532 -10.709  -1.033
   69    HB3  LEU   9           2HB      LEU   9  -1.793  -9.213  -1.547
   70    HG   LEU   9           HG       LEU   9  -3.971  -8.112  -1.532
   71   HD11  LEU   9          1HD1      LEU   9  -5.381 -10.034  -2.095
   72   HD12  LEU   9          2HD1      LEU   9  -5.922  -9.258  -0.606
   73   HD13  LEU   9          3HD1      LEU   9  -5.009 -10.764  -0.533
   74   HD21  LEU   9          3HD2      LEU   9  -2.533  -8.179   0.436
   75   HD22  LEU   9          1HD2      LEU   9  -3.336  -9.649   0.971
   76   HD23  LEU   9          2HD2      LEU   9  -4.238  -8.136   0.885
   77    H    LYS  10           H        LYS  10  -1.226  -9.330  -4.786
   78    HA   LYS  10           HA       LYS  10  -1.184  -7.782  -6.426
   79    HB2  LYS  10           1HB      LYS  10  -4.192  -7.874  -6.186
   80    HB3  LYS  10           2HB      LYS  10  -3.306  -7.055  -7.467
   81    HG2  LYS  10           1HG      LYS  10  -2.242  -9.301  -7.968
   82    HG3  LYS  10           2HG      LYS  10  -3.471  -9.999  -6.912
   83    HD2  LYS  10           1HD      LYS  10  -5.224  -9.063  -8.318
   84    HD3  LYS  10           2HD      LYS  10  -4.003  -8.312  -9.346
   85    HE2  LYS  10           1HE      LYS  10  -4.363 -11.276  -8.907
   86    HE3  LYS  10           2HE      LYS  10  -4.868 -10.380 -10.338
   87    HZ1  LYS  10           3HZ      LYS  10  -2.533  -9.803 -10.723
   88    HZ2  LYS  10           1HZ      LYS  10  -2.777 -11.476 -10.729
   89    HZ3  LYS  10           2HZ      LYS  10  -2.077 -10.734  -9.385
   90    H    GLY  11           H        GLY  11  -0.910  -7.026  -3.723
   91    HA2  GLY  11           1HA      GLY  11  -2.203  -4.432  -3.468
   92    HA3  GLY  11           2HA      GLY  11  -1.076  -5.157  -2.328
   93    H    THR  12           H        THR  12  -1.145  -2.458  -3.542
   94    HA   THR  12           HA       THR  12   1.303  -2.501  -5.152
   95    HB   THR  12           HB       THR  12   0.676   0.016  -5.381
   96    HG1  THR  12           HG1      THR  12  -1.131  -0.548  -3.710
   97   HG21  THR  12          1HG2      THR  12  -1.004  -2.136  -6.669
   98   HG22  THR  12          2HG2      THR  12   0.604  -1.631  -7.193
   99   HG23  THR  12          3HG2      THR  12  -0.752  -0.504  -7.291
  100    H    CYS  13           H        CYS  13   3.187  -1.781  -4.391
  101    HA   CYS  13           HA       CYS  13   3.314  -0.846  -1.651
  102    HB2  CYS  13           1HB      CYS  13   5.728  -0.900  -3.421
  103    HB3  CYS  13           2HB      CYS  13   5.573  -1.309  -1.719
  104    HG   CYS  13           HG       CYS  13   5.817  -3.805  -2.243
  105    H    LYS  14           H        LYS  14   2.798   1.187  -1.319
  106    HA   LYS  14           HA       LYS  14   3.918   3.242  -3.090
  107    HB2  LYS  14           1HB      LYS  14   1.747   4.492  -2.845
  108    HB3  LYS  14           2HB      LYS  14   1.654   3.035  -3.825
  109    HG2  LYS  14           1HG      LYS  14   0.686   1.816  -1.968
  110    HG3  LYS  14           2HG      LYS  14   0.836   3.238  -0.935
  111    HD2  LYS  14           1HD      LYS  14  -1.437   3.031  -1.732
  112    HD3  LYS  14           2HD      LYS  14  -0.680   4.460  -2.434
  113    HE2  LYS  14           1HE      LYS  14  -0.306   3.273  -4.512
  114    HE3  LYS  14           2HE      LYS  14  -0.956   1.791  -3.812
  115    HZ1  LYS  14           3HZ      LYS  14  -2.460   4.309  -4.238
  116    HZ2  LYS  14           1HZ      LYS  14  -3.089   2.896  -3.546
  117    HZ3  LYS  14           2HZ      LYS  14  -2.600   2.909  -5.170
  118    H    ASN  15           H        ASN  15   3.457   5.505  -1.947
  119    HA   ASN  15           HA       ASN  15   4.806   5.297   0.566
  120    HB2  ASN  15           1HB      ASN  15   4.933   7.191  -1.223
  121    HB3  ASN  15           2HB      ASN  15   3.536   7.812  -0.369
  122   HD21  ASN  15          1HD2      ASN  15   6.168   8.971  -0.607
  123   HD22  ASN  15          2HD2      ASN  15   6.768   9.156   1.003
  124    H    ASN  16           H        ASN  16   1.745   6.787  -0.371
  125    HA   ASN  16           HA       ASN  16   0.675   6.133   2.296
  126    HB2  ASN  16           1HB      ASN  16  -0.843   8.131   1.956
  127    HB3  ASN  16           2HB      ASN  16   0.852   8.496   2.224
  128   HD21  ASN  16          1HD2      ASN  16  -0.405   7.356  -0.869
  129   HD22  ASN  16          2HD2      ASN  16  -0.152   8.847  -1.711
  130    H    CYS  17           H        CYS  17  -1.585   5.615   2.415
  131    HA   CYS  17           HA       CYS  17  -2.358   3.891   0.264
  132    HB2  CYS  17           1HB      CYS  17  -4.009   4.669   2.670
  133    HB3  CYS  17           2HB      CYS  17  -4.183   3.230   1.677
  134    HG   CYS  17           HG       CYS  17  -1.495   2.378   2.465
  135    H    GLY  18           H        GLY  18  -3.933   4.108  -1.218
  136    HA2  GLY  18           1HA      GLY  18  -4.994   6.804  -1.636
  137    HA3  GLY  18           2HA      GLY  18  -4.980   5.494  -2.807
  138    H    LYS  19           H        LYS  19  -7.208   6.017  -3.228
  139    HA   LYS  19           HA       LYS  19  -9.192   6.035  -1.249
  140    HB2  LYS  19           1HB      LYS  19 -10.769   6.154  -2.962
  141    HB3  LYS  19           2HB      LYS  19  -9.343   6.891  -3.660
  142    HG2  LYS  19           1HG      LYS  19 -10.343   4.098  -4.191
  143    HG3  LYS  19           2HG      LYS  19 -10.495   5.484  -5.267
  144    HD2  LYS  19           1HD      LYS  19  -7.960   5.585  -5.272
  145    HD3  LYS  19           2HD      LYS  19  -7.991   4.010  -4.468
  146    HE2  LYS  19           1HE      LYS  19  -9.220   4.650  -7.147
  147    HE3  LYS  19           2HE      LYS  19  -7.710   3.782  -6.887
  148    HZ1  LYS  19           3HZ      LYS  19  -8.983   2.084  -5.684
  149    HZ2  LYS  19           1HZ      LYS  19  -9.479   2.234  -7.292
  150    HZ3  LYS  19           2HZ      LYS  19 -10.415   2.896  -6.050
  151    H    ASN  20           H        ASN  20 -10.227   4.526  -0.181
  152    HA   ASN  20           HA       ASN  20 -10.783   2.499   0.676
  153    HB2  ASN  20           1HB      ASN  20 -10.993   1.896  -2.275
  154    HB3  ASN  20           2HB      ASN  20 -11.474   0.750  -1.029
  155   HD21  ASN  20          1HD2      ASN  20 -13.081   1.993  -3.081
  156   HD22  ASN  20          2HD2      ASN  20 -14.336   2.856  -2.263
  157    H    GLU  21           H        GLU  21  -8.119   2.850   0.876
  158    HA   GLU  21           HA       GLU  21  -7.119   0.154   0.277
  159    HB2  GLU  21           1HB      GLU  21  -5.718   2.794  -0.053
  160    HB3  GLU  21           2HB      GLU  21  -4.797   1.318   0.203
  161    HG2  GLU  21           1HG      GLU  21  -5.880   0.333  -1.772
  162    HG3  GLU  21           2HG      GLU  21  -6.741   1.846  -2.038
  163    H    GLU  22           H        GLU  22  -5.544  -0.680   1.713
  164    HA   GLU  22           HA       GLU  22  -5.335   0.662   4.322
  165    HB2  GLU  22           1HB      GLU  22  -5.888  -1.340   5.521
  166    HB3  GLU  22           2HB      GLU  22  -7.177  -1.058   4.362
  167    HG2  GLU  22           1HG      GLU  22  -6.269  -2.744   2.888
  168    HG3  GLU  22           2HG      GLU  22  -4.899  -2.983   3.969
  169    H    LEU  23           H        LEU  23  -3.541  -0.259   5.646
  170    HA   LEU  23           HA       LEU  23  -1.304  -0.978   3.964
  171    HB2  LEU  23           1HB      LEU  23  -1.560   0.373   6.370
  172    HB3  LEU  23           2HB      LEU  23  -0.825  -1.137   6.822
  173    HG   LEU  23           HG       LEU  23   1.000   0.242   6.449
  174   HD11  LEU  23          1HD1      LEU  23   1.121  -1.856   5.177
  175   HD12  LEU  23          2HD1      LEU  23   2.107  -0.552   4.517
  176   HD13  LEU  23          3HD1      LEU  23   0.575  -0.972   3.756
  177   HD21  LEU  23          3HD2      LEU  23  -0.332   1.286   3.970
  178   HD22  LEU  23          1HD2      LEU  23   1.160   1.871   4.703
  179   HD23  LEU  23          2HD2      LEU  23  -0.375   2.081   5.542
  180    H    ILE  24           H        ILE  24  -0.336  -2.917   3.867
  181    HA   ILE  24           HA       ILE  24  -1.767  -5.142   5.175
  182    HB   ILE  24           HB       ILE  24  -2.067  -6.302   3.207
  183   HG12  ILE  24          1HG1      ILE  24  -0.148  -4.691   1.587
  184   HG13  ILE  24          2HG1      ILE  24   0.510  -5.878   2.711
  185   HG21  ILE  24          1HG2      ILE  24  -2.016  -3.422   2.334
  186   HG22  ILE  24          2HG2      ILE  24  -3.379  -4.292   3.042
  187   HG23  ILE  24          3HG2      ILE  24  -2.779  -4.739   1.445
  188   HD11  ILE  24          3HD1      ILE  24   0.296  -6.865   0.562
  189   HD12  ILE  24          1HD1      ILE  24  -1.401  -6.389   0.466
  190   HD13  ILE  24          2HD1      ILE  24  -0.888  -7.586   1.655
  191    H    ALA  25           H        ALA  25   1.242  -3.856   3.971
  192    HA   ALA  25           HA       ALA  25   2.851  -5.595   5.547
  193    HB1  ALA  25           3HB      ALA  25   2.813  -6.104   2.566
  194    HB2  ALA  25           1HB      ALA  25   2.259  -7.216   3.818
  195    HB3  ALA  25           2HB      ALA  25   3.969  -6.794   3.708
  196    H    LEU  26           H        LEU  26   5.229  -5.358   4.793
  197    HA   LEU  26           HA       LEU  26   5.607  -2.548   4.016
  198    HB2  LEU  26           1HB      LEU  26   6.931  -4.203   6.133
  199    HB3  LEU  26           2HB      LEU  26   7.741  -2.798   5.461
  200    HG   LEU  26           HG       LEU  26   6.750  -2.061   7.457
  201   HD11  LEU  26          1HD1      LEU  26   4.783  -1.299   5.315
  202   HD12  LEU  26          2HD1      LEU  26   6.393  -0.602   5.493
  203   HD13  LEU  26          3HD1      LEU  26   5.192  -0.388   6.767
  204   HD21  LEU  26          3HD2      LEU  26   4.201  -3.410   6.586
  205   HD22  LEU  26          1HD2      LEU  26   4.391  -2.411   8.027
  206   HD23  LEU  26          2HD2      LEU  26   5.275  -3.930   7.884
  207    H    CYS  27           H        CYS  27   7.209  -2.033   2.638
  208    HA   CYS  27           HA       CYS  27   8.791  -4.243   1.504
  209    HB2  CYS  27           1HB      CYS  27   7.465  -1.886   0.182
  210    HB3  CYS  27           2HB      CYS  27   8.799  -2.730  -0.589
  211    HG   CYS  27           HG       CYS  27   5.869  -4.230   0.344
  212    H    GLN  28           H        GLN  28  10.788  -3.351   0.327
  213    HA   GLN  28           HA       GLN  28  12.295  -1.747   2.153
  214    HB2  GLN  28           1HB      GLN  28  13.041  -2.513  -0.670
  215    HB3  GLN  28           2HB      GLN  28  14.129  -1.983   0.600
  216    HG2  GLN  28           1HG      GLN  28  13.517  -4.015   1.893
  217    HG3  GLN  28           2HG      GLN  28  12.588  -4.562   0.498
  218   HE21  GLN  28          1HE2      GLN  28  13.680  -5.185  -1.375
  219   HE22  GLN  28          2HE2      GLN  28  15.369  -5.554  -1.372
  220    H    LYS  29           H        LYS  29  13.613   0.148   1.157
  221    HA   LYS  29           HA       LYS  29  13.630   2.298   0.387
  222    HB2  LYS  29           1HB      LYS  29  11.346   1.458  -1.389
  223    HB3  LYS  29           2HB      LYS  29  12.346   2.886  -1.591
  224    HG2  LYS  29           1HG      LYS  29  14.251   1.531  -2.137
  225    HG3  LYS  29           2HG      LYS  29  13.356   0.057  -1.764
  226    HD2  LYS  29           1HD      LYS  29  12.720   2.011  -3.979
  227    HD3  LYS  29           2HD      LYS  29  13.478   0.432  -4.179
  228    HE2  LYS  29           1HE      LYS  29  10.692   0.950  -3.127
  229    HE3  LYS  29           2HE      LYS  29  11.101   0.343  -4.731
  230    HZ1  LYS  29           3HZ      LYS  29  11.601  -1.038  -2.150
  231    HZ2  LYS  29           1HZ      LYS  29  12.096  -1.612  -3.662
  232    HZ3  LYS  29           2HZ      LYS  29  10.452  -1.462  -3.310
  233    H    SER  30           H        SER  30  11.665   1.113   2.377
  234    HA   SER  30           HA       SER  30  10.023   1.673   3.779
  235    HB2  SER  30           1HB      SER  30   9.723   4.052   4.364
  236    HB3  SER  30           2HB      SER  30  11.416   3.576   4.324
  237    HG   SER  30           HG       SER  30  10.862   4.435   1.917
  238    H    LEU  31           H        LEU  31   9.260   1.044   1.052
  239    HA   LEU  31           HA       LEU  31   6.867   2.579   0.606
  240    HB2  LEU  31           1HB      LEU  31   8.129   0.180  -0.669
  241    HB3  LEU  31           2HB      LEU  31   6.450   0.545  -0.988
  242    HG   LEU  31           HG       LEU  31   8.172   1.384  -2.650
  243   HD11  LEU  31          1HD1      LEU  31   6.960   3.465  -3.037
  244   HD12  LEU  31          2HD1      LEU  31   6.281   3.374  -1.410
  245   HD13  LEU  31          3HD1      LEU  31   5.858   2.155  -2.616
  246   HD21  LEU  31          3HD2      LEU  31   9.738   2.262  -0.931
  247   HD22  LEU  31          1HD2      LEU  31   8.579   3.549  -0.617
  248   HD23  LEU  31          2HD2      LEU  31   9.331   3.408  -2.207
  249    H    LYS  32           H        LYS  32   4.807   2.023   1.072
  250    HA   LYS  32           HA       LYS  32   4.423  -0.181   2.980
  251    HB2  LYS  32           1HB      LYS  32   3.073   2.447   2.499
  252    HB3  LYS  32           2HB      LYS  32   2.136   1.140   3.194
  253    HG2  LYS  32           1HG      LYS  32   3.054   2.695   4.869
  254    HG3  LYS  32           2HG      LYS  32   3.592   1.032   5.109
  255    HD2  LYS  32           1HD      LYS  32   5.756   1.539   4.243
  256    HD3  LYS  32           2HD      LYS  32   5.217   3.100   3.624
  257    HE2  LYS  32           1HE      LYS  32   6.505   3.482   5.608
  258    HE3  LYS  32           2HE      LYS  32   4.818   3.824   5.970
  259    HZ1  LYS  32           3HZ      LYS  32   6.333   1.388   6.720
  260    HZ2  LYS  32           1HZ      LYS  32   4.670   1.585   6.963
  261    HZ3  LYS  32           2HZ      LYS  32   5.766   2.591   7.760
  262    H    CYS  33           H        CYS  33   3.280  -1.947   2.341
  263    HA   CYS  33           HA       CYS  33   2.195  -2.060  -0.306
  264    HB2  CYS  33           1HB      CYS  33   2.088  -4.011   1.996
  265    HB3  CYS  33           2HB      CYS  33   1.487  -4.347   0.381
  266    HG   CYS  33           HG       CYS  33   3.771  -4.785  -0.799
  267    H    CYS  34           H        CYS  34   0.366  -1.016  -0.732
  268    HA   CYS  34           HA       CYS  34  -1.815  -1.167   1.239
  269    HB2  CYS  34           1HB      CYS  34  -1.433   0.872  -0.963
  270    HB3  CYS  34           2HB      CYS  34  -2.667   0.900   0.293
  271    HG   CYS  34           HG       CYS  34   0.696   1.216   0.867
  272    H    ARG  35           H        ARG  35  -3.547  -2.319   0.687
  273    HA   ARG  35           HA       ARG  35  -3.804  -3.153  -2.117
  274    HB2  ARG  35           1HB      ARG  35  -5.066  -5.046  -1.358
  275    HB3  ARG  35           2HB      ARG  35  -3.620  -4.940  -0.371
  276    HG2  ARG  35           1HG      ARG  35  -5.087  -3.714   1.328
  277    HG3  ARG  35           2HG      ARG  35  -6.452  -4.307   0.380
  278    HD2  ARG  35           1HD      ARG  35  -5.412  -6.627   0.665
  279    HD3  ARG  35           2HD      ARG  35  -4.385  -5.892   1.879
  280    HE   ARG  35           HE       ARG  35  -6.725  -5.156   2.819
  281   HH11  ARG  35          1HH1      ARG  35  -5.860  -8.283   1.467
  282   HH12  ARG  35          2HH1      ARG  35  -6.962  -9.156   2.478
  283   HH21  ARG  35          1HH2      ARG  35  -8.125  -6.299   4.154
  284   HH22  ARG  35          2HH2      ARG  35  -8.241  -8.032   4.026
  285    H    THR  36           H        THR  36  -5.572  -2.682  -3.291
  286    HA   THR  36           HA       THR  36  -7.361  -0.668  -2.227
  287    HB   THR  36           HB       THR  36  -7.546  -1.825  -4.995
  288    HG1  THR  36           HG1      THR  36  -5.650   0.094  -4.027
  289   HG21  THR  36          1HG2      THR  36  -8.310   0.397  -5.572
  290   HG22  THR  36          2HG2      THR  36  -7.946   0.988  -3.951
  291   HG23  THR  36          3HG2      THR  36  -9.242  -0.187  -4.194
  292    H    ILE  37           H        ILE  37  -9.198  -1.142  -1.316
  293    HA   ILE  37           HA       ILE  37 -10.155  -3.799  -1.130
  294    HB   ILE  37           HB       ILE  37 -11.451  -1.212  -0.290
  295   HG12  ILE  37          1HG1      ILE  37  -9.290  -1.359   0.722
  296   HG13  ILE  37          2HG1      ILE  37 -10.465  -1.811   1.942
  297   HG21  ILE  37          1HG2      ILE  37 -11.964  -4.041   0.575
  298   HG22  ILE  37          2HG2      ILE  37 -13.059  -3.002  -0.333
  299   HG23  ILE  37          3HG2      ILE  37 -12.653  -2.612   1.339
  300   HD11  ILE  37          3HD1      ILE  37  -8.697  -3.662   0.374
  301   HD12  ILE  37          1HD1      ILE  37  -9.956  -4.187   1.490
  302   HD13  ILE  37          2HD1      ILE  37  -8.578  -3.268   2.088
  303    H    GLN  38           H        GLN  38 -11.542  -4.851  -2.339
  304    HA   GLN  38           HA       GLN  38 -12.923  -3.491  -4.503
  305    HB2  GLN  38           1HB      GLN  38 -13.439  -5.791  -5.278
  306    HB3  GLN  38           2HB      GLN  38 -11.716  -5.511  -5.073
  307    HG2  GLN  38           1HG      GLN  38 -11.708  -6.723  -3.001
  308    HG3  GLN  38           2HG      GLN  38 -13.463  -6.886  -3.045
  309   HE21  GLN  38          1HE2      GLN  38 -14.396  -8.344  -4.461
  310   HE22  GLN  38          2HE2      GLN  38 -13.485  -9.594  -5.232
  311    HA   PRO  39           HA       PRO  39 -16.883  -3.601  -2.458
  312    HB2  PRO  39           1HB      PRO  39 -18.156  -3.850  -5.079
  313    HB3  PRO  39           2HB      PRO  39 -18.205  -2.503  -3.940
  314    HG2  PRO  39           1HG      PRO  39 -16.881  -2.364  -6.291
  315    HG3  PRO  39           2HG      PRO  39 -16.341  -1.502  -4.838
  316    HD2  PRO  39           1HD      PRO  39 -15.318  -4.060  -6.016
  317    HD3  PRO  39           2HD      PRO  39 -14.418  -2.700  -5.311
  318    H    SER  40           H        SER  40 -17.839  -5.271  -1.527
  319    HA   SER  40           HA       SER  40 -18.984  -7.443  -2.971
  320    HB2  SER  40           1HB      SER  40 -16.566  -8.118  -2.923
  321    HB3  SER  40           2HB      SER  40 -16.634  -8.085  -1.164
  322    HG   SER  40           HG       SER  40 -17.123 -10.128  -2.615
  323    H    GLY  41           H        GLY  41 -19.331  -9.260  -0.890
  324    HA2  GLY  41           1HA      GLY  41 -21.143  -7.914   0.836
  325    HA3  GLY  41           2HA      GLY  41 -20.563  -9.563   1.044
  326    H    SER  42           H        SER  42 -20.699  -6.672   2.518
  327    HA   SER  42           HA       SER  42 -19.348  -5.315   3.742
  328    HB2  SER  42           1HB      SER  42 -18.170  -6.757   5.592
  329    HB3  SER  42           2HB      SER  42 -19.907  -6.488   5.557
  330    HG   SER  42           HG       SER  42 -18.689  -8.725   4.320
  331    H    ILE  43           H        ILE  43 -18.028  -4.698   2.159
  332    HA   ILE  43           HA       ILE  43 -16.140  -4.554   0.852
  333    HB   ILE  43           HB       ILE  43 -14.118  -4.114   2.504
  334   HG12  ILE  43          1HG1      ILE  43 -16.516  -3.673   4.289
  335   HG13  ILE  43          2HG1      ILE  43 -15.436  -5.051   4.466
  336   HG21  ILE  43          1HG2      ILE  43 -15.174  -2.467   1.080
  337   HG22  ILE  43          2HG2      ILE  43 -14.935  -1.804   2.696
  338   HG23  ILE  43          3HG2      ILE  43 -16.537  -2.344   2.193
  339   HD11  ILE  43          3HD1      ILE  43 -13.580  -3.520   4.909
  340   HD12  ILE  43          1HD1      ILE  43 -14.905  -3.282   6.048
  341   HD13  ILE  43          2HD1      ILE  43 -14.670  -2.147   4.719
  342    H    ILE  44           H        ILE  44 -14.138  -6.008   3.343
  343    HA   ILE  44           HA       ILE  44 -13.651  -8.266   1.545
  344    HB   ILE  44           HB       ILE  44 -11.266  -8.147   1.958
  345   HG12  ILE  44          1HG1      ILE  44 -11.361  -6.917   4.132
  346   HG13  ILE  44          2HG1      ILE  44 -10.146  -6.321   3.015
  347   HG21  ILE  44          1HG2      ILE  44 -12.561  -5.783   0.687
  348   HG22  ILE  44          2HG2      ILE  44 -11.901  -7.229  -0.075
  349   HG23  ILE  44          3HG2      ILE  44 -10.818  -6.031   0.632
  350   HD11  ILE  44          3HD1      ILE  44 -11.610  -4.437   2.450
  351   HD12  ILE  44          1HD1      ILE  44 -11.246  -4.506   4.173
  352   HD13  ILE  44          2HD1      ILE  44 -12.811  -5.050   3.584
  353    H    ASP  45           H        ASP  45 -15.040  -7.838   4.224
  354    HA   ASP  45           HA       ASP  45 -13.796 -10.166   5.462
  355    HB2  ASP  45           1HB      ASP  45 -13.941  -9.188   7.725
  356    HB3  ASP  45           2HB      ASP  45 -12.814  -8.320   6.697
  Start of MODEL   16
    1    H    PHE   1           1H       PHE   1  10.224  -9.177  -2.627
    2    HA   PHE   1           HA       PHE   1  10.638 -11.278  -1.535
    3    HB2  PHE   1           1HB      PHE   1  11.327  -9.572   0.869
    4    HB3  PHE   1           2HB      PHE   1  11.237 -11.328   0.837
    5    HD1  PHE   1           HD2      PHE   1  13.190  -8.395  -0.142
    6    HD2  PHE   1           HD1      PHE   1  12.991 -12.646  -0.175
    7    HE1  PHE   1           HE2      PHE   1  15.572  -8.499  -0.748
    8    HE2  PHE   1           HE1      PHE   1  15.374 -12.757  -0.777
    9    HZ   PHE   1           HZ       PHE   1  16.667 -10.680  -1.065
   10    H    PHE   2           H        PHE   2   9.584  -9.067   1.016
   11    HA   PHE   2           HA       PHE   2   7.112 -10.384   1.328
   12    HB2  PHE   2           1HB      PHE   2   7.989  -7.655   2.278
   13    HB3  PHE   2           2HB      PHE   2   6.520  -8.467   2.800
   14    HD1  PHE   2           HD1      PHE   2  10.165  -8.400   3.036
   15    HD2  PHE   2           HD2      PHE   2   6.607 -10.359   4.300
   16    HE1  PHE   2           HE1      PHE   2  11.423  -9.515   4.830
   17    HE2  PHE   2           HE2      PHE   2   7.859 -11.478   6.100
   18    HZ   PHE   2           HZ       PHE   2  10.270 -11.056   6.366
   19    H    ASP   3           H        ASP   3   8.150  -7.839  -0.764
   20    HA   ASP   3           HA       ASP   3   5.422  -7.139  -1.418
   21    HB2  ASP   3           1HB      ASP   3   6.417  -5.554  -3.030
   22    HB3  ASP   3           2HB      ASP   3   6.910  -5.284  -1.368
   23    H    GLU   4           H        GLU   4   7.487  -9.544  -2.297
   24    HA   GLU   4           HA       GLU   4   6.359  -9.935  -4.929
   25    HB2  GLU   4           1HB      GLU   4   7.717 -11.912  -3.073
   26    HB3  GLU   4           2HB      GLU   4   7.275 -12.233  -4.743
   27    HG2  GLU   4           1HG      GLU   4   9.308 -10.247  -3.761
   28    HG3  GLU   4           2HG      GLU   4   9.621 -11.758  -4.613
   29    H    LYS   5           H        LYS   5   5.824 -10.889  -1.616
   30    HA   LYS   5           HA       LYS   5   3.412 -12.316  -1.988
   31    HB2  LYS   5           1HB      LYS   5   4.801 -12.241   0.105
   32    HB3  LYS   5           2HB      LYS   5   4.213 -10.612   0.376
   33    HG2  LYS   5           1HG      LYS   5   2.997 -12.168   1.748
   34    HG3  LYS   5           2HG      LYS   5   1.921 -11.483   0.530
   35    HD2  LYS   5           1HD      LYS   5   1.809 -13.463  -0.670
   36    HD3  LYS   5           2HD      LYS   5   3.324 -14.071   0.000
   37    HE2  LYS   5           1HE      LYS   5   1.402 -15.282   0.902
   38    HE3  LYS   5           2HE      LYS   5   2.255 -14.400   2.162
   39    HZ1  LYS   5           3HZ      LYS   5  -0.279 -13.591   0.850
   40    HZ2  LYS   5           1HZ      LYS   5   0.563 -12.647   1.973
   41    HZ3  LYS   5           2HZ      LYS   5  -0.093 -14.130   2.439
   42    H    CYS   6           H        CYS   6   4.197  -8.886  -1.730
   43    HA   CYS   6           HA       CYS   6   1.648  -7.790  -1.531
   44    HB2  CYS   6           1HB      CYS   6   3.578  -6.367  -1.335
   45    HB3  CYS   6           2HB      CYS   6   4.140  -6.797  -2.941
   46    HG   CYS   6           HG       CYS   6   1.774  -5.535  -4.110
   47    H    ASN   7           H        ASN   7   3.477  -8.740  -4.413
   48    HA   ASN   7           HA       ASN   7   1.597  -8.044  -6.365
   49    HB2  ASN   7           1HB      ASN   7   3.971  -8.773  -6.761
   50    HB3  ASN   7           2HB      ASN   7   3.465 -10.420  -6.442
   51   HD21  ASN   7          1HD2      ASN   7   2.276 -11.522  -7.957
   52   HD22  ASN   7          2HD2      ASN   7   2.039 -10.943  -9.568
   53    H    LYS   8           H        LYS   8   2.021 -10.957  -4.467
   54    HA   LYS   8           HA       LYS   8   0.088 -12.572  -5.685
   55    HB2  LYS   8           1HB      LYS   8   1.893 -13.181  -3.949
   56    HB3  LYS   8           2HB      LYS   8   0.714 -12.684  -2.744
   57    HG2  LYS   8           1HG      LYS   8   0.532 -15.026  -2.943
   58    HG3  LYS   8           2HG      LYS   8  -0.873 -14.345  -3.766
   59    HD2  LYS   8           1HD      LYS   8   0.241 -14.628  -5.919
   60    HD3  LYS   8           2HD      LYS   8   1.667 -15.273  -5.108
   61    HE2  LYS   8           1HE      LYS   8   0.380 -17.098  -5.986
   62    HE3  LYS   8           2HE      LYS   8   0.270 -17.119  -4.228
   63    HZ1  LYS   8           3HZ      LYS   8  -1.871 -17.509  -5.318
   64    HZ2  LYS   8           1HZ      LYS   8  -1.788 -15.984  -6.041
   65    HZ3  LYS   8           2HZ      LYS   8  -1.900 -16.119  -4.359
   66    H    LEU   9           H        LEU   9  -0.217 -10.191  -3.082
   67    HA   LEU   9           HA       LEU   9  -3.031 -10.804  -2.712
   68    HB2  LEU   9           1HB      LEU   9  -1.128  -8.894  -1.406
   69    HB3  LEU   9           2HB      LEU   9  -2.853  -8.700  -1.188
   70    HG   LEU   9           HG       LEU   9  -1.976  -9.874   0.701
   71   HD11  LEU   9          1HD1      LEU   9  -3.285 -11.904   0.667
   72   HD12  LEU   9          2HD1      LEU   9  -3.376 -11.848  -1.091
   73   HD13  LEU   9          3HD1      LEU   9  -4.165 -10.600  -0.127
   74   HD21  LEU   9          3HD2      LEU   9  -0.883 -11.925  -1.211
   75   HD22  LEU   9          1HD2      LEU   9  -0.763 -11.946   0.548
   76   HD23  LEU   9          2HD2      LEU   9   0.075 -10.698  -0.378
   77    H    LYS  10           H        LYS  10  -1.301  -9.019  -4.881
   78    HA   LYS  10           HA       LYS  10  -1.855  -7.526  -6.495
   79    HB2  LYS  10           1HB      LYS  10  -4.669  -7.874  -5.455
   80    HB3  LYS  10           2HB      LYS  10  -4.244  -6.954  -6.890
   81    HG2  LYS  10           1HG      LYS  10  -3.188  -9.113  -7.748
   82    HG3  LYS  10           2HG      LYS  10  -4.069  -9.912  -6.443
   83    HD2  LYS  10           1HD      LYS  10  -5.294  -8.195  -8.595
   84    HD3  LYS  10           2HD      LYS  10  -5.312  -9.958  -8.566
   85    HE2  LYS  10           1HE      LYS  10  -6.544  -8.171  -6.469
   86    HE3  LYS  10           2HE      LYS  10  -7.428  -8.962  -7.773
   87    HZ1  LYS  10           3HZ      LYS  10  -7.546 -10.168  -5.658
   88    HZ2  LYS  10           1HZ      LYS  10  -5.870 -10.386  -5.687
   89    HZ3  LYS  10           2HZ      LYS  10  -6.836 -11.093  -6.882
   90    H    GLY  11           H        GLY  11  -1.055  -6.776  -3.823
   91    HA2  GLY  11           1HA      GLY  11  -2.430  -4.248  -3.348
   92    HA3  GLY  11           2HA      GLY  11  -1.144  -4.937  -2.363
   93    H    THR  12           H        THR  12  -0.930  -2.328  -2.901
   94    HA   THR  12           HA       THR  12   1.261  -2.278  -4.857
   95    HB   THR  12           HB       THR  12   0.464   0.238  -5.083
   96    HG1  THR  12           HG1      THR  12  -2.000  -1.137  -4.671
   97   HG21  THR  12          1HG2      THR  12  -0.811  -0.414  -7.092
   98   HG22  THR  12          2HG2      THR  12  -0.817  -2.083  -6.525
   99   HG23  THR  12          3HG2      THR  12   0.705  -1.303  -6.946
  100    H    CYS  13           H        CYS  13   3.115  -1.482  -4.096
  101    HA   CYS  13           HA       CYS  13   3.175  -0.354  -1.429
  102    HB2  CYS  13           1HB      CYS  13   5.732  -0.215  -2.129
  103    HB3  CYS  13           2HB      CYS  13   5.006  -1.723  -1.602
  104    HG   CYS  13           HG       CYS  13   6.379  -0.929  -4.509
  105    H    LYS  14           H        LYS  14   2.391   1.684  -1.453
  106    HA   LYS  14           HA       LYS  14   4.042   3.588  -2.965
  107    HB2  LYS  14           1HB      LYS  14   1.670   4.912  -2.174
  108    HB3  LYS  14           2HB      LYS  14   2.238   4.595  -3.798
  109    HG2  LYS  14           1HG      LYS  14   1.054   2.401  -3.707
  110    HG3  LYS  14           2HG      LYS  14   0.396   2.887  -2.139
  111    HD2  LYS  14           1HD      LYS  14  -0.265   5.059  -3.506
  112    HD3  LYS  14           2HD      LYS  14  -0.201   3.933  -4.860
  113    HE2  LYS  14           1HE      LYS  14  -1.804   3.457  -2.360
  114    HE3  LYS  14           2HE      LYS  14  -2.457   4.223  -3.805
  115    HZ1  LYS  14           3HZ      LYS  14  -2.987   1.876  -3.729
  116    HZ2  LYS  14           1HZ      LYS  14  -1.344   1.474  -3.657
  117    HZ3  LYS  14           2HZ      LYS  14  -1.970   2.207  -5.043
  118    H    ASN  15           H        ASN  15   3.903   5.830  -1.843
  119    HA   ASN  15           HA       ASN  15   4.781   5.493   0.864
  120    HB2  ASN  15           1HB      ASN  15   5.203   7.373  -1.089
  121    HB3  ASN  15           2HB      ASN  15   4.122   8.198   0.018
  122   HD21  ASN  15          1HD2      ASN  15   7.244   6.732  -0.343
  123   HD22  ASN  15          2HD2      ASN  15   7.935   7.376   1.105
  124    H    ASN  16           H        ASN  16   1.946   6.566  -0.807
  125    HA   ASN  16           HA       ASN  16   0.522   6.846   1.767
  126    HB2  ASN  16           1HB      ASN  16  -0.977   8.439   0.654
  127    HB3  ASN  16           2HB      ASN  16   0.693   8.986   0.560
  128   HD21  ASN  16          1HD2      ASN  16   1.789   8.832  -1.426
  129   HD22  ASN  16          2HD2      ASN  16   0.921   8.743  -2.921
  130    H    CYS  17           H        CYS  17  -1.547   5.946   1.924
  131    HA   CYS  17           HA       CYS  17  -2.076   3.752   0.108
  132    HB2  CYS  17           1HB      CYS  17  -3.774   4.663   2.437
  133    HB3  CYS  17           2HB      CYS  17  -3.767   3.082   1.670
  134    HG   CYS  17           HG       CYS  17  -1.362   2.258   2.659
  135    H    GLY  18           H        GLY  18  -3.847   3.568  -1.242
  136    HA2  GLY  18           1HA      GLY  18  -4.928   6.143  -2.105
  137    HA3  GLY  18           2HA      GLY  18  -4.998   4.629  -2.993
  138    H    LYS  19           H        LYS  19  -7.206   5.165  -3.396
  139    HA   LYS  19           HA       LYS  19  -9.145   5.617  -1.447
  140    HB2  LYS  19           1HB      LYS  19 -10.765   5.281  -3.132
  141    HB3  LYS  19           2HB      LYS  19  -9.361   5.924  -3.964
  142    HG2  LYS  19           1HG      LYS  19 -10.092   3.000  -3.865
  143    HG3  LYS  19           2HG      LYS  19 -10.515   4.095  -5.178
  144    HD2  LYS  19           1HD      LYS  19  -7.661   3.757  -4.328
  145    HD3  LYS  19           2HD      LYS  19  -8.420   2.593  -5.411
  146    HE2  LYS  19           1HE      LYS  19  -8.352   5.561  -5.923
  147    HE3  LYS  19           2HE      LYS  19  -7.151   4.432  -6.549
  148    HZ1  LYS  19           3HZ      LYS  19  -8.854   4.866  -8.184
  149    HZ2  LYS  19           1HZ      LYS  19 -10.065   4.368  -7.116
  150    HZ3  LYS  19           2HZ      LYS  19  -8.934   3.251  -7.692
  151    H    ASN  20           H        ASN  20 -10.017   4.387   0.050
  152    HA   ASN  20           HA       ASN  20 -10.783   2.606   1.233
  153    HB2  ASN  20           1HB      ASN  20 -11.008   1.383  -1.522
  154    HB3  ASN  20           2HB      ASN  20 -11.707   0.692  -0.064
  155   HD21  ASN  20          1HD2      ASN  20 -13.016   1.568  -2.484
  156   HD22  ASN  20          2HD2      ASN  20 -14.157   2.777  -2.011
  157    H    GLU  21           H        GLU  21  -7.890   2.815   0.716
  158    HA   GLU  21           HA       GLU  21  -7.119  -0.004   0.583
  159    HB2  GLU  21           1HB      GLU  21  -5.615   2.562   0.174
  160    HB3  GLU  21           2HB      GLU  21  -4.765   1.049   0.446
  161    HG2  GLU  21           1HG      GLU  21  -5.945   0.082  -1.496
  162    HG3  GLU  21           2HG      GLU  21  -6.691   1.652  -1.787
  163    H    GLU  22           H        GLU  22  -6.147  -1.066   2.161
  164    HA   GLU  22           HA       GLU  22  -5.628   0.374   4.683
  165    HB2  GLU  22           1HB      GLU  22  -6.108  -1.649   5.885
  166    HB3  GLU  22           2HB      GLU  22  -7.430  -1.387   4.758
  167    HG2  GLU  22           1HG      GLU  22  -6.567  -3.061   3.271
  168    HG3  GLU  22           2HG      GLU  22  -5.119  -3.246   4.259
  169    H    LEU  23           H        LEU  23  -3.840  -0.620   5.992
  170    HA   LEU  23           HA       LEU  23  -1.549  -1.047   4.268
  171    HB2  LEU  23           1HB      LEU  23  -1.886   0.279   6.633
  172    HB3  LEU  23           2HB      LEU  23  -1.188  -1.232   7.180
  173    HG   LEU  23           HG       LEU  23   0.804  -0.881   5.897
  174   HD11  LEU  23          1HD1      LEU  23   0.165  -0.052   3.858
  175   HD12  LEU  23          2HD1      LEU  23   0.901   1.367   4.610
  176   HD13  LEU  23          3HD1      LEU  23  -0.851   1.206   4.566
  177   HD21  LEU  23          3HD2      LEU  23  -0.054   1.690   7.218
  178   HD22  LEU  23          1HD2      LEU  23   1.602   1.259   6.793
  179   HD23  LEU  23          2HD2      LEU  23   0.729   0.317   8.004
  180    H    ILE  24           H        ILE  24  -0.880  -3.006   3.705
  181    HA   ILE  24           HA       ILE  24  -1.972  -5.269   5.224
  182    HB   ILE  24           HB       ILE  24  -2.386  -6.373   3.266
  183   HG12  ILE  24          1HG1      ILE  24  -0.728  -5.132   1.282
  184   HG13  ILE  24          2HG1      ILE  24   0.276  -5.604   2.649
  185   HG21  ILE  24          1HG2      ILE  24  -3.042  -4.805   1.488
  186   HG22  ILE  24          2HG2      ILE  24  -2.176  -3.520   2.327
  187   HG23  ILE  24          3HG2      ILE  24  -3.576  -4.281   3.083
  188   HD11  ILE  24          3HD1      ILE  24  -1.597  -7.409   1.143
  189   HD12  ILE  24          1HD1      ILE  24  -0.553  -7.878   2.483
  190   HD13  ILE  24          2HD1      ILE  24   0.156  -7.350   0.956
  191    H    ALA  25           H        ALA  25   0.955  -3.797   4.051
  192    HA   ALA  25           HA       ALA  25   2.609  -5.508   5.618
  193    HB1  ALA  25           3HB      ALA  25   2.748  -5.918   2.631
  194    HB2  ALA  25           1HB      ALA  25   2.131  -7.084   3.801
  195    HB3  ALA  25           2HB      ALA  25   3.833  -6.621   3.829
  196    H    LEU  26           H        LEU  26   4.910  -5.100   5.235
  197    HA   LEU  26           HA       LEU  26   5.361  -2.354   4.303
  198    HB2  LEU  26           1HB      LEU  26   6.642  -4.048   6.417
  199    HB3  LEU  26           2HB      LEU  26   7.524  -2.702   5.718
  200    HG   LEU  26           HG       LEU  26   6.560  -1.988   7.788
  201   HD11  LEU  26          1HD1      LEU  26   6.549  -0.364   5.959
  202   HD12  LEU  26          2HD1      LEU  26   5.220  -0.102   7.087
  203   HD13  LEU  26          3HD1      LEU  26   4.914  -0.868   5.529
  204   HD21  LEU  26          3HD2      LEU  26   3.920  -2.950   6.700
  205   HD22  LEU  26          1HD2      LEU  26   4.125  -2.012   8.179
  206   HD23  LEU  26          2HD2      LEU  26   4.816  -3.629   8.059
  207    H    CYS  27           H        CYS  27   6.562  -2.084   2.543
  208    HA   CYS  27           HA       CYS  27   7.866  -4.446   1.397
  209    HB2  CYS  27           1HB      CYS  27   7.078  -1.825   0.110
  210    HB3  CYS  27           2HB      CYS  27   7.783  -3.199  -0.731
  211    HG   CYS  27           HG       CYS  27   5.402  -3.868  -1.480
  212    H    GLN  28           H        GLN  28   9.786  -3.606  -0.172
  213    HA   GLN  28           HA       GLN  28  11.829  -2.777   1.609
  214    HB2  GLN  28           1HB      GLN  28  11.908  -2.959  -1.395
  215    HB3  GLN  28           2HB      GLN  28  13.303  -2.805  -0.348
  216    HG2  GLN  28           1HG      GLN  28  12.915  -4.954   0.613
  217    HG3  GLN  28           2HG      GLN  28  11.373  -5.103  -0.225
  218   HE21  GLN  28          1HE2      GLN  28  11.336  -5.647  -2.377
  219   HE22  GLN  28          2HE2      GLN  28  12.734  -6.217  -3.226
  220    H    LYS  29           H        LYS  29  13.369  -0.982   0.917
  221    HA   LYS  29           HA       LYS  29  13.753   1.255   1.029
  222    HB2  LYS  29           1HB      LYS  29  11.433   1.435  -0.883
  223    HB3  LYS  29           2HB      LYS  29  12.579   2.718  -0.555
  224    HG2  LYS  29           1HG      LYS  29  13.544   1.943  -2.440
  225    HG3  LYS  29           2HG      LYS  29  14.272   0.792  -1.328
  226    HD2  LYS  29           1HD      LYS  29  13.390  -0.356  -3.282
  227    HD3  LYS  29           2HD      LYS  29  12.498  -0.821  -1.831
  228    HE2  LYS  29           1HE      LYS  29  10.720   0.732  -2.414
  229    HE3  LYS  29           2HE      LYS  29  11.611   1.246  -3.841
  230    HZ1  LYS  29           3HZ      LYS  29   9.890  -0.355  -4.385
  231    HZ2  LYS  29           1HZ      LYS  29  10.582  -1.494  -3.345
  232    HZ3  LYS  29           2HZ      LYS  29  11.418  -0.990  -4.724
  233    H    SER  30           H        SER  30  11.512  -0.118   2.601
  234    HA   SER  30           HA       SER  30  10.158   0.370   4.342
  235    HB2  SER  30           1HB      SER  30  11.915   2.092   4.867
  236    HB3  SER  30           2HB      SER  30  10.946   3.269   3.985
  237    HG   SER  30           HG       SER  30   9.253   2.893   5.467
  238    H    LEU  31           H        LEU  31   9.255   0.435   1.539
  239    HA   LEU  31           HA       LEU  31   7.168   2.369   1.356
  240    HB2  LEU  31           1HB      LEU  31   8.014  -0.042  -0.167
  241    HB3  LEU  31           2HB      LEU  31   6.381   0.542  -0.394
  242    HG   LEU  31           HG       LEU  31   8.250   1.325  -1.998
  243   HD11  LEU  31          1HD1      LEU  31   6.371   3.298  -0.703
  244   HD12  LEU  31          2HD1      LEU  31   5.961   2.170  -1.999
  245   HD13  LEU  31          3HD1      LEU  31   7.116   3.473  -2.293
  246   HD21  LEU  31          3HD2      LEU  31   8.654   3.343   0.193
  247   HD22  LEU  31          1HD2      LEU  31   9.467   3.275  -1.369
  248   HD23  LEU  31          2HD2      LEU  31   9.779   2.033  -0.155
  249    H    LYS  32           H        LYS  32   4.885   1.846   1.241
  250    HA   LYS  32           HA       LYS  32   4.155  -0.218   3.206
  251    HB2  LYS  32           1HB      LYS  32   3.218   2.552   2.719
  252    HB3  LYS  32           2HB      LYS  32   2.001   1.379   3.194
  253    HG2  LYS  32           1HG      LYS  32   3.084   0.927   5.242
  254    HG3  LYS  32           2HG      LYS  32   4.543   1.795   4.742
  255    HD2  LYS  32           1HD      LYS  32   1.837   3.073   5.141
  256    HD3  LYS  32           2HD      LYS  32   3.119   3.054   6.350
  257    HE2  LYS  32           1HE      LYS  32   4.583   4.268   4.801
  258    HE3  LYS  32           2HE      LYS  32   3.287   4.300   3.607
  259    HZ1  LYS  32           3HZ      LYS  32   3.228   5.578   6.283
  260    HZ2  LYS  32           1HZ      LYS  32   1.943   5.568   5.184
  261    HZ3  LYS  32           2HZ      LYS  32   3.378   6.370   4.800
  262    H    CYS  33           H        CYS  33   3.082  -1.908   2.450
  263    HA   CYS  33           HA       CYS  33   2.009  -1.867  -0.232
  264    HB2  CYS  33           1HB      CYS  33   3.199  -3.859   0.668
  265    HB3  CYS  33           2HB      CYS  33   1.902  -4.063   1.845
  266    HG   CYS  33           HG       CYS  33   1.639  -4.383  -1.549
  267    H    CYS  34           H        CYS  34   0.070  -1.126  -0.645
  268    HA   CYS  34           HA       CYS  34  -1.996  -1.340   1.442
  269    HB2  CYS  34           1HB      CYS  34  -1.891   0.740  -0.740
  270    HB3  CYS  34           2HB      CYS  34  -2.874   0.750   0.719
  271    HG   CYS  34           HG       CYS  34   0.540   1.029   0.729
  272    H    ARG  35           H        ARG  35  -3.980  -2.156   0.858
  273    HA   ARG  35           HA       ARG  35  -4.215  -3.051  -1.940
  274    HB2  ARG  35           1HB      ARG  35  -5.379  -5.026  -1.208
  275    HB3  ARG  35           2HB      ARG  35  -3.866  -4.911  -0.327
  276    HG2  ARG  35           1HG      ARG  35  -5.205  -3.880   1.560
  277    HG3  ARG  35           2HG      ARG  35  -6.647  -4.381   0.678
  278    HD2  ARG  35           1HD      ARG  35  -5.565  -6.720   0.665
  279    HD3  ARG  35           2HD      ARG  35  -4.502  -6.084   1.907
  280    HE   ARG  35           HE       ARG  35  -6.611  -5.563   3.170
  281   HH11  ARG  35          1HH1      ARG  35  -6.465  -8.189   0.847
  282   HH12  ARG  35          2HH1      ARG  35  -7.736  -9.095   1.620
  283   HH21  ARG  35          1HH2      ARG  35  -8.250  -6.749   4.172
  284   HH22  ARG  35          2HH2      ARG  35  -8.763  -8.271   3.500
  285    H    THR  36           H        THR  36  -6.022  -2.605  -3.031
  286    HA   THR  36           HA       THR  36  -7.771  -0.597  -1.921
  287    HB   THR  36           HB       THR  36  -7.940  -1.860  -4.658
  288    HG1  THR  36           HG1      THR  36  -6.237   0.185  -3.656
  289   HG21  THR  36          1HG2      THR  36  -9.864  -0.502  -3.988
  290   HG22  THR  36          2HG2      THR  36  -8.954   0.277  -5.281
  291   HG23  THR  36          3HG2      THR  36  -8.787   0.846  -3.620
  292    H    ILE  37           H        ILE  37  -9.134  -1.515  -0.465
  293    HA   ILE  37           HA       ILE  37 -10.443  -3.999  -0.860
  294    HB   ILE  37           HB       ILE  37 -10.917  -1.751   1.075
  295   HG12  ILE  37          1HG1      ILE  37  -8.728  -3.165   0.896
  296   HG13  ILE  37          2HG1      ILE  37  -9.440  -2.853   2.468
  297   HG21  ILE  37          1HG2      ILE  37 -12.184  -3.381   2.407
  298   HG22  ILE  37          2HG2      ILE  37 -12.035  -4.556   1.103
  299   HG23  ILE  37          3HG2      ILE  37 -12.956  -3.075   0.851
  300   HD11  ILE  37          3HD1      ILE  37 -10.469  -5.082   2.416
  301   HD12  ILE  37          1HD1      ILE  37  -8.713  -5.161   2.268
  302   HD13  ILE  37          2HD1      ILE  37  -9.731  -5.367   0.841
  303    H    GLN  38           H        GLN  38 -12.153  -4.416  -2.051
  304    HA   GLN  38           HA       GLN  38 -13.890  -2.245  -2.942
  305    HB2  GLN  38           1HB      GLN  38 -13.759  -5.145  -3.801
  306    HB3  GLN  38           2HB      GLN  38 -14.814  -3.928  -4.505
  307    HG2  GLN  38           1HG      GLN  38 -12.781  -2.649  -5.164
  308    HG3  GLN  38           2HG      GLN  38 -11.810  -4.012  -4.607
  309   HE21  GLN  38          1HE2      GLN  38 -10.977  -4.415  -6.654
  310   HE22  GLN  38          2HE2      GLN  38 -11.934  -5.099  -7.921
  311    HA   PRO  39           HA       PRO  39 -17.118  -3.232  -0.070
  312    HB2  PRO  39           1HB      PRO  39 -19.022  -2.736  -2.277
  313    HB3  PRO  39           2HB      PRO  39 -18.881  -1.932  -0.709
  314    HG2  PRO  39           1HG      PRO  39 -18.127  -0.713  -2.965
  315    HG3  PRO  39           2HG      PRO  39 -17.238  -0.486  -1.449
  316    HD2  PRO  39           1HD      PRO  39 -16.553  -2.181  -3.815
  317    HD3  PRO  39           2HD      PRO  39 -15.494  -1.190  -2.790
  318    H    SER  40           H        SER  40 -18.306  -4.979   0.506
  319    HA   SER  40           HA       SER  40 -19.240  -7.046   0.470
  320    HB2  SER  40           1HB      SER  40 -20.617  -6.188  -1.426
  321    HB3  SER  40           2HB      SER  40 -19.370  -6.741  -2.541
  322    HG   SER  40           HG       SER  40 -21.254  -8.194  -1.102
  323    H    GLY  41           H        GLY  41 -18.775  -9.323  -0.314
  324    HA2  GLY  41           1HA      GLY  41 -15.871  -9.547  -0.398
  325    HA3  GLY  41           2HA      GLY  41 -17.003 -10.838  -0.027
  326    H    SER  42           H        SER  42 -14.874  -9.710  -2.224
  327    HA   SER  42           HA       SER  42 -14.998 -11.731  -4.031
  328    HB2  SER  42           1HB      SER  42 -17.242 -10.943  -4.705
  329    HB3  SER  42           2HB      SER  42 -16.571  -9.364  -5.098
  330    HG   SER  42           HG       SER  42 -16.438 -10.302  -7.005
  331    H    ILE  43           H        ILE  43 -13.379 -11.550  -5.523
  332    HA   ILE  43           HA       ILE  43 -11.492 -10.786  -6.539
  333    HB   ILE  43           HB       ILE  43 -12.456  -8.004  -5.851
  334   HG12  ILE  43          1HG1      ILE  43 -12.799  -9.600  -8.402
  335   HG13  ILE  43          2HG1      ILE  43 -14.072  -9.284  -7.227
  336   HG21  ILE  43          1HG2      ILE  43 -10.084  -8.060  -6.365
  337   HG22  ILE  43          2HG2      ILE  43 -10.974  -7.298  -7.683
  338   HG23  ILE  43          3HG2      ILE  43 -10.405  -8.960  -7.847
  339   HD11  ILE  43          3HD1      ILE  43 -14.284  -7.794  -9.106
  340   HD12  ILE  43          1HD1      ILE  43 -12.624  -7.241  -8.894
  341   HD13  ILE  43          2HD1      ILE  43 -13.838  -6.876  -7.670
  342    H    ILE  44           H        ILE  44 -12.127  -8.708  -3.726
  343    HA   ILE  44           HA       ILE  44  -9.609  -9.595  -2.529
  344    HB   ILE  44           HB       ILE  44  -8.946  -7.541  -3.566
  345   HG12  ILE  44          1HG1      ILE  44  -9.554  -7.052  -0.640
  346   HG13  ILE  44          2HG1      ILE  44  -8.132  -7.867  -1.280
  347   HG21  ILE  44          1HG2      ILE  44 -11.142  -6.607  -4.020
  348   HG22  ILE  44          2HG2      ILE  44 -10.123  -5.418  -3.207
  349   HG23  ILE  44          3HG2      ILE  44 -11.373  -6.272  -2.304
  350   HD11  ILE  44          3HD1      ILE  44  -8.845  -4.993  -1.801
  351   HD12  ILE  44          1HD1      ILE  44  -7.370  -5.823  -2.296
  352   HD13  ILE  44          2HD1      ILE  44  -7.700  -5.549  -0.584
  353    H    ASP  45           H        ASP  45  -9.747  -9.879  -0.366
  354    HA   ASP  45           HA       ASP  45 -11.760  -8.511   1.191
  355    HB2  ASP  45           1HB      ASP  45 -12.810 -10.462   2.101
  356    HB3  ASP  45           2HB      ASP  45 -12.876 -10.621   0.351
  Start of MODEL   17
    1    H    PHE   1           1H       PHE   1  11.001  -9.997  -0.887
    2    HA   PHE   1           HA       PHE   1   9.326 -12.424  -0.754
    3    HB2  PHE   1           1HB      PHE   1  11.219 -12.469   0.830
    4    HB3  PHE   1           2HB      PHE   1  10.732 -10.896   1.452
    5    HD1  PHE   1           HD1      PHE   1   9.783 -14.448   1.216
    6    HD2  PHE   1           HD2      PHE   1   8.989 -10.690   3.050
    7    HE1  PHE   1           HE1      PHE   1   8.328 -15.558   2.858
    8    HE2  PHE   1           HE2      PHE   1   7.531 -11.797   4.694
    9    HZ   PHE   1           HZ       PHE   1   7.200 -14.233   4.598
   10    H    PHE   2           H        PHE   2   9.685  -9.104   0.533
   11    HA   PHE   2           HA       PHE   2   7.163  -8.842   1.603
   12    HB2  PHE   2           1HB      PHE   2   8.932  -6.733   0.370
   13    HB3  PHE   2           2HB      PHE   2   7.462  -6.364   1.261
   14    HD1  PHE   2           HD1      PHE   2   7.451  -7.918   3.586
   15    HD2  PHE   2           HD2      PHE   2  10.814  -6.266   1.571
   16    HE1  PHE   2           HE1      PHE   2   8.715  -7.928   5.695
   17    HE2  PHE   2           HE2      PHE   2  12.086  -6.280   3.676
   18    HZ   PHE   2           HZ       PHE   2  11.037  -7.112   5.740
   19    H    ASP   3           H        ASP   3   8.124  -7.619  -1.639
   20    HA   ASP   3           HA       ASP   3   5.307  -7.273  -2.178
   21    HB2  ASP   3           1HB      ASP   3   5.892  -6.058  -4.140
   22    HB3  ASP   3           2HB      ASP   3   6.835  -5.458  -2.785
   23    H    GLU   4           H        GLU   4   7.359  -9.780  -2.480
   24    HA   GLU   4           HA       GLU   4   6.338 -10.905  -4.902
   25    HB2  GLU   4           1HB      GLU   4   8.359 -11.827  -3.847
   26    HB3  GLU   4           2HB      GLU   4   7.441 -12.242  -2.407
   27    HG2  GLU   4           1HG      GLU   4   7.847 -14.211  -3.742
   28    HG3  GLU   4           2HG      GLU   4   6.124 -13.841  -3.715
   29    H    LYS   5           H        LYS   5   5.517 -11.101  -1.474
   30    HA   LYS   5           HA       LYS   5   3.087 -12.494  -1.822
   31    HB2  LYS   5           1HB      LYS   5   4.199 -12.406   0.345
   32    HB3  LYS   5           2HB      LYS   5   4.003 -10.662   0.397
   33    HG2  LYS   5           1HG      LYS   5   2.383 -11.805   1.823
   34    HG3  LYS   5           2HG      LYS   5   1.595 -10.903   0.528
   35    HD2  LYS   5           1HD      LYS   5   0.491 -13.011   0.697
   36    HD3  LYS   5           2HD      LYS   5   1.474 -13.046  -0.767
   37    HE2  LYS   5           1HE      LYS   5   1.718 -15.142   0.376
   38    HE3  LYS   5           2HE      LYS   5   3.232 -14.248   0.501
   39    HZ1  LYS   5           3HZ      LYS   5   2.601 -15.274   2.602
   40    HZ2  LYS   5           1HZ      LYS   5   1.155 -14.399   2.615
   41    HZ3  LYS   5           2HZ      LYS   5   2.633 -13.589   2.735
   42    H    CYS   6           H        CYS   6   3.976  -9.077  -1.883
   43    HA   CYS   6           HA       CYS   6   1.433  -7.928  -1.752
   44    HB2  CYS   6           1HB      CYS   6   3.634  -6.700  -1.693
   45    HB3  CYS   6           2HB      CYS   6   3.780  -6.967  -3.422
   46    HG   CYS   6           HG       CYS   6   1.563  -5.413  -4.089
   47    H    ASN   7           H        ASN   7   3.313  -9.004  -4.564
   48    HA   ASN   7           HA       ASN   7   1.493  -8.300  -6.570
   49    HB2  ASN   7           1HB      ASN   7   3.924  -9.060  -6.826
   50    HB3  ASN   7           2HB      ASN   7   3.315 -10.703  -6.677
   51   HD21  ASN   7          1HD2      ASN   7   2.007 -11.558  -8.317
   52   HD22  ASN   7          2HD2      ASN   7   1.948 -10.853  -9.893
   53    H    LYS   8           H        LYS   8   1.962 -11.406  -4.902
   54    HA   LYS   8           HA       LYS   8  -0.029 -12.846  -6.236
   55    HB2  LYS   8           1HB      LYS   8   0.988 -13.218  -3.416
   56    HB3  LYS   8           2HB      LYS   8   0.187 -14.419  -4.400
   57    HG2  LYS   8           1HG      LYS   8   2.844 -13.188  -5.051
   58    HG3  LYS   8           2HG      LYS   8   2.621 -14.741  -4.245
   59    HD2  LYS   8           1HD      LYS   8   1.430 -15.589  -6.201
   60    HD3  LYS   8           2HD      LYS   8   1.634 -14.031  -7.002
   61    HE2  LYS   8           1HE      LYS   8   3.287 -15.660  -7.774
   62    HE3  LYS   8           2HE      LYS   8   4.048 -14.297  -6.958
   63    HZ1  LYS   8           3HZ      LYS   8   3.515 -16.944  -5.730
   64    HZ2  LYS   8           1HZ      LYS   8   4.291 -15.640  -4.981
   65    HZ3  LYS   8           2HZ      LYS   8   5.016 -16.412  -6.298
   66    H    LEU   9           H        LEU   9  -0.068 -10.967  -3.254
   67    HA   LEU   9           HA       LEU   9  -2.732 -11.731  -2.538
   68    HB2  LEU   9           1HB      LEU   9  -0.836 -11.322  -0.998
   69    HB3  LEU   9           2HB      LEU   9  -0.892  -9.629  -1.433
   70    HG   LEU   9           HG       LEU   9  -3.191  -9.526  -0.484
   71   HD11  LEU   9          1HD1      LEU   9  -3.864 -11.335   1.038
   72   HD12  LEU   9          2HD1      LEU   9  -2.490 -12.296   0.493
   73   HD13  LEU   9          3HD1      LEU   9  -3.783 -11.887  -0.634
   74   HD21  LEU   9          3HD2      LEU   9  -2.373  -9.306   1.721
   75   HD22  LEU   9          1HD2      LEU   9  -1.032  -8.928   0.632
   76   HD23  LEU   9          2HD2      LEU   9  -1.104 -10.501   1.434
   77    H    LYS  10           H        LYS  10  -1.565  -9.580  -4.764
   78    HA   LYS  10           HA       LYS  10  -2.715  -8.215  -6.182
   79    HB2  LYS  10           1HB      LYS  10  -5.092  -8.749  -4.389
   80    HB3  LYS  10           2HB      LYS  10  -5.154  -7.955  -5.954
   81    HG2  LYS  10           1HG      LYS  10  -4.179 -10.773  -5.552
   82    HG3  LYS  10           2HG      LYS  10  -5.847 -10.356  -5.946
   83    HD2  LYS  10           1HD      LYS  10  -3.457  -9.588  -7.614
   84    HD3  LYS  10           2HD      LYS  10  -4.474 -10.998  -7.919
   85    HE2  LYS  10           1HE      LYS  10  -5.352  -8.112  -7.929
   86    HE3  LYS  10           2HE      LYS  10  -5.151  -9.150  -9.339
   87    HZ1  LYS  10           3HZ      LYS  10  -6.902 -10.594  -8.431
   88    HZ2  LYS  10           1HZ      LYS  10  -7.459  -9.029  -8.744
   89    HZ3  LYS  10           2HZ      LYS  10  -7.135  -9.509  -7.157
   90    H    GLY  11           H        GLY  11  -1.158  -7.142  -4.178
   91    HA2  GLY  11           1HA      GLY  11  -2.626  -4.627  -3.654
   92    HA3  GLY  11           2HA      GLY  11  -1.466  -5.292  -2.510
   93    H    THR  12           H        THR  12  -1.080  -2.740  -3.371
   94    HA   THR  12           HA       THR  12   1.307  -3.071  -5.052
   95    HB   THR  12           HB       THR  12   0.767  -0.591  -5.705
   96    HG1  THR  12           HG1      THR  12  -1.885  -1.226  -5.792
   97   HG21  THR  12          1HG2      THR  12   0.911  -2.434  -7.296
   98   HG22  THR  12          2HG2      THR  12  -0.449  -1.381  -7.687
   99   HG23  THR  12          3HG2      THR  12  -0.733  -2.928  -6.889
  100    H    CYS  13           H        CYS  13   3.144  -2.107  -4.304
  101    HA   CYS  13           HA       CYS  13   3.042  -1.069  -1.607
  102    HB2  CYS  13           1HB      CYS  13   5.540  -1.147  -3.291
  103    HB3  CYS  13           2HB      CYS  13   5.376  -1.263  -1.547
  104    HG   CYS  13           HG       CYS  13   3.751  -3.780  -2.840
  105    H    LYS  14           H        LYS  14   2.521   0.952  -1.284
  106    HA   LYS  14           HA       LYS  14   3.824   3.003  -2.912
  107    HB2  LYS  14           1HB      LYS  14   1.749   4.360  -2.865
  108    HB3  LYS  14           2HB      LYS  14   1.583   2.879  -3.796
  109    HG2  LYS  14           1HG      LYS  14   0.417   1.830  -1.927
  110    HG3  LYS  14           2HG      LYS  14   0.589   3.313  -0.987
  111    HD2  LYS  14           1HD      LYS  14  -1.612   3.289  -1.912
  112    HD3  LYS  14           2HD      LYS  14  -0.675   4.505  -2.780
  113    HE2  LYS  14           1HE      LYS  14  -1.956   3.274  -4.381
  114    HE3  LYS  14           2HE      LYS  14  -0.266   2.811  -4.565
  115    HZ1  LYS  14           3HZ      LYS  14  -1.611   0.857  -4.644
  116    HZ2  LYS  14           1HZ      LYS  14  -2.404   1.261  -3.199
  117    HZ3  LYS  14           2HZ      LYS  14  -0.762   0.837  -3.184
  118    H    ASN  15           H        ASN  15   3.387   5.241  -1.706
  119    HA   ASN  15           HA       ASN  15   4.493   4.786   0.911
  120    HB2  ASN  15           1HB      ASN  15   4.075   7.189  -0.816
  121    HB3  ASN  15           2HB      ASN  15   4.459   7.390   0.886
  122   HD21  ASN  15          1HD2      ASN  15   5.997   8.143  -1.444
  123   HD22  ASN  15          2HD2      ASN  15   7.514   7.324  -1.311
  124    H    ASN  16           H        ASN  16   1.683   6.580  -0.368
  125    HA   ASN  16           HA       ASN  16   0.442   6.312   2.295
  126    HB2  ASN  16           1HB      ASN  16  -0.747   8.360   1.914
  127    HB3  ASN  16           2HB      ASN  16   0.944   8.668   1.537
  128   HD21  ASN  16          1HD2      ASN  16   1.561   8.913  -0.640
  129   HD22  ASN  16          2HD2      ASN  16   0.400   9.300  -1.862
  130    H    CYS  17           H        CYS  17  -1.673   5.591   2.411
  131    HA   CYS  17           HA       CYS  17  -2.473   3.893   0.248
  132    HB2  CYS  17           1HB      CYS  17  -3.949   4.541   2.805
  133    HB3  CYS  17           2HB      CYS  17  -4.267   3.190   1.735
  134    HG   CYS  17           HG       CYS  17  -1.296   2.575   2.284
  135    H    GLY  18           H        GLY  18  -3.981   4.203  -1.251
  136    HA2  GLY  18           1HA      GLY  18  -5.173   6.853  -1.462
  137    HA3  GLY  18           2HA      GLY  18  -5.113   5.627  -2.720
  138    H    LYS  19           H        LYS  19  -7.309   6.038  -3.140
  139    HA   LYS  19           HA       LYS  19  -9.486   6.126  -1.550
  140    HB2  LYS  19           1HB      LYS  19 -10.756   5.053  -3.414
  141    HB3  LYS  19           2HB      LYS  19  -9.695   6.353  -3.935
  142    HG2  LYS  19           1HG      LYS  19  -8.184   4.893  -4.932
  143    HG3  LYS  19           2HG      LYS  19  -8.773   3.506  -4.022
  144    HD2  LYS  19           1HD      LYS  19 -10.287   4.949  -6.198
  145    HD3  LYS  19           2HD      LYS  19  -9.435   3.412  -6.380
  146    HE2  LYS  19           1HE      LYS  19 -10.910   2.423  -4.669
  147    HE3  LYS  19           2HE      LYS  19 -11.788   3.947  -4.567
  148    HZ1  LYS  19           3HZ      LYS  19 -12.438   3.709  -6.862
  149    HZ2  LYS  19           1HZ      LYS  19 -12.900   2.337  -5.990
  150    HZ3  LYS  19           2HZ      LYS  19 -11.552   2.276  -7.007
  151    H    ASN  20           H        ASN  20  -9.945   4.952   0.160
  152    HA   ASN  20           HA       ASN  20 -10.233   3.185   1.573
  153    HB2  ASN  20           1HB      ASN  20 -12.225   3.162   0.033
  154    HB3  ASN  20           2HB      ASN  20 -11.417   1.908  -0.897
  155   HD21  ASN  20          1HD2      ASN  20 -11.233   2.121   2.597
  156   HD22  ASN  20          2HD2      ASN  20 -12.165   0.703   2.914
  157    H    GLU  21           H        GLU  21  -7.694   3.093   1.055
  158    HA   GLU  21           HA       GLU  21  -7.121   0.299   0.337
  159    HB2  GLU  21           1HB      GLU  21  -5.415   2.778   0.311
  160    HB3  GLU  21           2HB      GLU  21  -4.685   1.181   0.312
  161    HG2  GLU  21           1HG      GLU  21  -6.155   0.729  -1.725
  162    HG3  GLU  21           2HG      GLU  21  -6.402   2.468  -1.780
  163    H    GLU  22           H        GLU  22  -6.028  -1.033   1.720
  164    HA   GLU  22           HA       GLU  22  -5.752  -0.047   4.479
  165    HB2  GLU  22           1HB      GLU  22  -6.039  -2.353   5.208
  166    HB3  GLU  22           2HB      GLU  22  -7.386  -1.874   4.190
  167    HG2  GLU  22           1HG      GLU  22  -6.469  -3.112   2.331
  168    HG3  GLU  22           2HG      GLU  22  -5.026  -3.492   3.260
  169    H    LEU  23           H        LEU  23  -3.876  -0.529   5.656
  170    HA   LEU  23           HA       LEU  23  -1.552  -1.102   3.989
  171    HB2  LEU  23           1HB      LEU  23  -1.877   0.804   5.843
  172    HB3  LEU  23           2HB      LEU  23  -1.267  -0.477   6.872
  173    HG   LEU  23           HG       LEU  23   0.807  -0.583   5.639
  174   HD11  LEU  23          1HD1      LEU  23  -0.027  -0.285   3.403
  175   HD12  LEU  23          2HD1      LEU  23   1.214   0.912   3.735
  176   HD13  LEU  23          3HD1      LEU  23  -0.484   1.380   3.760
  177   HD21  LEU  23          3HD2      LEU  23   1.694   1.614   6.057
  178   HD22  LEU  23          1HD2      LEU  23   0.567   1.189   7.342
  179   HD23  LEU  23          2HD2      LEU  23   0.073   2.306   6.071
  180    H    ILE  24           H        ILE  24  -0.734  -3.060   3.919
  181    HA   ILE  24           HA       ILE  24  -1.718  -4.980   5.929
  182    HB   ILE  24           HB       ILE  24  -2.086  -6.576   4.240
  183   HG12  ILE  24          1HG1      ILE  24  -1.327  -5.633   1.788
  184   HG13  ILE  24          2HG1      ILE  24  -0.008  -5.075   2.807
  185   HG21  ILE  24          1HG2      ILE  24  -3.678  -4.710   4.218
  186   HG22  ILE  24          2HG2      ILE  24  -3.485  -5.439   2.628
  187   HG23  ILE  24          3HG2      ILE  24  -2.695  -3.909   2.991
  188   HD11  ILE  24          3HD1      ILE  24  -0.958  -7.910   2.538
  189   HD12  ILE  24          1HD1      ILE  24   0.352  -7.362   3.583
  190   HD13  ILE  24          2HD1      ILE  24   0.505  -7.224   1.831
  191    H    ALA  25           H        ALA  25   1.064  -3.760   4.309
  192    HA   ALA  25           HA       ALA  25   2.801  -5.315   5.988
  193    HB1  ALA  25           3HB      ALA  25   2.403  -6.920   4.171
  194    HB2  ALA  25           1HB      ALA  25   4.078  -6.369   4.201
  195    HB3  ALA  25           2HB      ALA  25   2.959  -5.723   3.001
  196    H    LEU  26           H        LEU  26   5.034  -4.699   5.724
  197    HA   LEU  26           HA       LEU  26   5.268  -1.958   4.694
  198    HB2  LEU  26           1HB      LEU  26   6.492  -3.274   7.108
  199    HB3  LEU  26           2HB      LEU  26   7.003  -1.706   6.513
  200    HG   LEU  26           HG       LEU  26   4.208  -2.356   7.464
  201   HD11  LEU  26          1HD1      LEU  26   4.770  -1.055   9.446
  202   HD12  LEU  26          2HD1      LEU  26   6.422  -0.864   8.862
  203   HD13  LEU  26          3HD1      LEU  26   5.819  -2.464   9.294
  204   HD21  LEU  26          3HD2      LEU  26   5.526   0.240   6.675
  205   HD22  LEU  26          1HD2      LEU  26   3.974   0.124   7.502
  206   HD23  LEU  26          2HD2      LEU  26   4.159  -0.543   5.882
  207    H    CYS  27           H        CYS  27   6.694  -1.694   3.123
  208    HA   CYS  27           HA       CYS  27   8.357  -3.993   2.388
  209    HB2  CYS  27           1HB      CYS  27   7.227  -1.698   0.781
  210    HB3  CYS  27           2HB      CYS  27   8.307  -2.908   0.108
  211    HG   CYS  27           HG       CYS  27   5.931  -3.765  -0.811
  212    H    GLN  28           H        GLN  28  10.284  -3.179   0.901
  213    HA   GLN  28           HA       GLN  28  11.906  -1.485   2.590
  214    HB2  GLN  28           1HB      GLN  28  12.607  -2.815  -0.021
  215    HB3  GLN  28           2HB      GLN  28  13.735  -2.049   1.080
  216    HG2  GLN  28           1HG      GLN  28  12.093  -4.505   1.647
  217    HG3  GLN  28           2HG      GLN  28  13.822  -4.456   1.302
  218   HE21  GLN  28          1HE2      GLN  28  15.226  -3.623   2.856
  219   HE22  GLN  28          2HE2      GLN  28  14.762  -3.463   4.514
  220    H    LYS  29           H        LYS  29  13.377   0.114   1.368
  221    HA   LYS  29           HA       LYS  29  13.598   2.109   0.291
  222    HB2  LYS  29           1HB      LYS  29  11.395   1.056  -1.475
  223    HB3  LYS  29           2HB      LYS  29  12.376   2.470  -1.820
  224    HG2  LYS  29           1HG      LYS  29  14.348   1.106  -2.032
  225    HG3  LYS  29           2HG      LYS  29  13.450  -0.328  -1.527
  226    HD2  LYS  29           1HD      LYS  29  12.953   1.292  -4.027
  227    HD3  LYS  29           2HD      LYS  29  13.745  -0.282  -3.954
  228    HE2  LYS  29           1HE      LYS  29  10.876   0.340  -3.240
  229    HE3  LYS  29           2HE      LYS  29  11.444  -0.559  -4.645
  230    HZ1  LYS  29           3HZ      LYS  29  12.335  -2.243  -3.129
  231    HZ2  LYS  29           1HZ      LYS  29  10.663  -2.060  -2.953
  232    HZ3  LYS  29           2HZ      LYS  29  11.709  -1.392  -1.810
  233    H    SER  30           H        SER  30  11.419   1.403   2.305
  234    HA   SER  30           HA       SER  30  10.091   2.623   3.676
  235    HB2  SER  30           1HB      SER  30  10.407   4.889   1.700
  236    HB3  SER  30           2HB      SER  30   9.703   5.009   3.312
  237    HG   SER  30           HG       SER  30  12.168   3.846   3.354
  238    H    LEU  31           H        LEU  31   9.346   1.676   0.572
  239    HA   LEU  31           HA       LEU  31   6.642   2.541   0.445
  240    HB2  LEU  31           1HB      LEU  31   8.149   0.273  -0.862
  241    HB3  LEU  31           2HB      LEU  31   6.435   0.498  -1.095
  242    HG   LEU  31           HG       LEU  31   7.755   1.406  -2.937
  243   HD11  LEU  31          1HD1      LEU  31   6.325   3.519  -1.336
  244   HD12  LEU  31          2HD1      LEU  31   5.574   2.345  -2.418
  245   HD13  LEU  31          3HD1      LEU  31   6.658   3.574  -3.069
  246   HD21  LEU  31          3HD2      LEU  31   9.755   2.088  -1.766
  247   HD22  LEU  31          1HD2      LEU  31   8.848   3.335  -0.912
  248   HD23  LEU  31          2HD2      LEU  31   9.067   3.443  -2.659
  249    H    LYS  32           H        LYS  32   4.749   1.291   0.906
  250    HA   LYS  32           HA       LYS  32   5.143  -1.247   2.237
  251    HB2  LYS  32           1HB      LYS  32   3.550  -0.626   4.014
  252    HB3  LYS  32           2HB      LYS  32   5.025   0.313   4.020
  253    HG2  LYS  32           1HG      LYS  32   2.621   1.407   2.686
  254    HG3  LYS  32           2HG      LYS  32   2.765   1.446   4.454
  255    HD2  LYS  32           1HD      LYS  32   4.865   2.531   2.570
  256    HD3  LYS  32           2HD      LYS  32   3.567   3.516   3.242
  257    HE2  LYS  32           1HE      LYS  32   4.355   3.001   5.504
  258    HE3  LYS  32           2HE      LYS  32   5.652   2.017   4.829
  259    HZ1  LYS  32           3HZ      LYS  32   6.587   3.962   3.796
  260    HZ2  LYS  32           1HZ      LYS  32   6.388   4.253   5.452
  261    HZ3  LYS  32           2HZ      LYS  32   5.305   4.926   4.340
  262    H    CYS  33           H        CYS  33   3.095  -2.493   2.415
  263    HA   CYS  33           HA       CYS  33   2.014  -2.429  -0.262
  264    HB2  CYS  33           1HB      CYS  33   2.822  -4.531   0.840
  265    HB3  CYS  33           2HB      CYS  33   1.452  -4.413   1.940
  266    HG   CYS  33           HG       CYS  33   1.241  -4.831  -1.447
  267    H    CYS  34           H        CYS  34   0.346  -1.191  -0.673
  268    HA   CYS  34           HA       CYS  34  -1.869  -1.098   1.254
  269    HB2  CYS  34           1HB      CYS  34  -1.353   0.698  -1.130
  270    HB3  CYS  34           2HB      CYS  34  -2.623   0.897   0.072
  271    HG   CYS  34           HG       CYS  34   0.478   0.829   1.344
  272    H    ARG  35           H        ARG  35  -3.684  -2.155   0.763
  273    HA   ARG  35           HA       ARG  35  -3.964  -3.198  -1.975
  274    HB2  ARG  35           1HB      ARG  35  -5.265  -4.203   0.562
  275    HB3  ARG  35           2HB      ARG  35  -5.383  -4.945  -1.025
  276    HG2  ARG  35           1HG      ARG  35  -3.025  -5.469  -0.998
  277    HG3  ARG  35           2HG      ARG  35  -2.834  -4.639   0.548
  278    HD2  ARG  35           1HD      ARG  35  -2.988  -6.900   1.135
  279    HD3  ARG  35           2HD      ARG  35  -4.600  -6.253   1.423
  280    HE   ARG  35           HE       ARG  35  -4.050  -7.601  -1.117
  281   HH11  ARG  35          1HH1      ARG  35  -5.741  -7.437   1.940
  282   HH12  ARG  35          2HH1      ARG  35  -6.798  -8.761   1.576
  283   HH21  ARG  35          1HH2      ARG  35  -5.440  -9.340  -1.615
  284   HH22  ARG  35          2HH2      ARG  35  -6.630  -9.845  -0.455
  285    H    THR  36           H        THR  36  -5.506  -2.360  -3.190
  286    HA   THR  36           HA       THR  36  -7.352  -0.452  -2.090
  287    HB   THR  36           HB       THR  36  -7.399  -1.481  -4.918
  288    HG1  THR  36           HG1      THR  36  -5.408  -0.083  -3.603
  289   HG21  THR  36          1HG2      THR  36  -9.216   0.017  -4.253
  290   HG22  THR  36          2HG2      THR  36  -8.142   0.824  -5.397
  291   HG23  THR  36          3HG2      THR  36  -8.043   1.201  -3.678
  292    H    ILE  37           H        ILE  37  -9.105  -1.014  -1.118
  293    HA   ILE  37           HA       ILE  37 -10.174  -3.628  -1.145
  294    HB   ILE  37           HB       ILE  37 -11.557  -1.104  -0.239
  295   HG12  ILE  37          1HG1      ILE  37  -9.323  -1.214   0.747
  296   HG13  ILE  37          2HG1      ILE  37 -10.543  -1.534   1.968
  297   HG21  ILE  37          1HG2      ILE  37 -11.849  -3.972   0.634
  298   HG22  ILE  37          2HG2      ILE  37 -12.980  -3.076  -0.377
  299   HG23  ILE  37          3HG2      ILE  37 -12.723  -2.593   1.299
  300   HD11  ILE  37          3HD1      ILE  37 -10.028  -3.822   2.017
  301   HD12  ILE  37          1HD1      ILE  37  -8.488  -2.974   2.028
  302   HD13  ILE  37          2HD1      ILE  37  -9.074  -3.720   0.538
  303    H    GLN  38           H        GLN  38 -11.686  -4.532  -2.370
  304    HA   GLN  38           HA       GLN  38 -12.704  -3.136  -4.662
  305    HB2  GLN  38           1HB      GLN  38 -13.657  -5.231  -5.326
  306    HB3  GLN  38           2HB      GLN  38 -12.065  -5.566  -4.670
  307    HG2  GLN  38           1HG      GLN  38 -14.641  -5.905  -3.152
  308    HG3  GLN  38           2HG      GLN  38 -13.806  -7.197  -4.010
  309   HE21  GLN  38          1HE2      GLN  38 -14.465  -6.901  -1.179
  310   HE22  GLN  38          2HE2      GLN  38 -12.960  -7.062  -0.336
  311    HA   PRO  39           HA       PRO  39 -16.572  -1.524  -3.224
  312    HB2  PRO  39           1HB      PRO  39 -17.740  -3.043  -5.514
  313    HB3  PRO  39           2HB      PRO  39 -17.971  -1.354  -5.054
  314    HG2  PRO  39           1HG      PRO  39 -16.385  -1.996  -7.088
  315    HG3  PRO  39           2HG      PRO  39 -15.950  -0.688  -5.974
  316    HD2  PRO  39           1HD      PRO  39 -14.840  -3.442  -6.188
  317    HD3  PRO  39           2HD      PRO  39 -14.038  -1.931  -5.714
  318    H    SER  40           H        SER  40 -17.841  -2.227  -1.655
  319    HA   SER  40           HA       SER  40 -19.022  -3.520  -0.253
  320    HB2  SER  40           1HB      SER  40 -19.072  -5.557  -2.484
  321    HB3  SER  40           2HB      SER  40 -20.071  -5.567  -1.035
  322    HG   SER  40           HG       SER  40 -20.113  -3.236  -2.540
  323    H    GLY  41           H        GLY  41 -18.256  -4.464   1.464
  324    HA2  GLY  41           1HA      GLY  41 -15.564  -5.246   1.591
  325    HA3  GLY  41           2HA      GLY  41 -16.738  -5.400   2.885
  326    H    SER  42           H        SER  42 -14.662  -7.039   1.005
  327    HA   SER  42           HA       SER  42 -15.842  -9.582   1.795
  328    HB2  SER  42           1HB      SER  42 -14.699  -9.154  -0.976
  329    HB3  SER  42           2HB      SER  42 -15.477 -10.609  -0.355
  330    HG   SER  42           HG       SER  42 -17.372  -9.156  -0.049
  331    H    ILE  43           H        ILE  43 -14.330 -10.925   2.621
  332    HA   ILE  43           HA       ILE  43 -12.329 -11.872   3.152
  333    HB   ILE  43           HB       ILE  43 -11.113 -10.091   1.036
  334   HG12  ILE  43          1HG1      ILE  43 -11.988 -12.984   0.869
  335   HG13  ILE  43          2HG1      ILE  43 -12.839 -11.622   0.144
  336   HG21  ILE  43          1HG2      ILE  43  -9.456 -10.878   2.619
  337   HG22  ILE  43          2HG2      ILE  43  -9.258 -11.702   1.072
  338   HG23  ILE  43          3HG2      ILE  43 -10.024 -12.537   2.423
  339   HD11  ILE  43          3HD1      ILE  43 -10.058 -12.538  -0.553
  340   HD12  ILE  43          1HD1      ILE  43 -10.911 -11.178  -1.280
  341   HD13  ILE  43          2HD1      ILE  43 -11.517 -12.818  -1.502
  342    H    ILE  44           H        ILE  44 -12.003  -8.397   2.556
  343    HA   ILE  44           HA       ILE  44  -9.891  -7.939   4.356
  344    HB   ILE  44           HB       ILE  44 -10.322  -5.603   4.074
  345   HG12  ILE  44          1HG1      ILE  44 -12.895  -6.061   2.623
  346   HG13  ILE  44          2HG1      ILE  44 -12.921  -6.108   4.383
  347   HG21  ILE  44          1HG2      ILE  44  -9.364  -6.573   2.129
  348   HG22  ILE  44          2HG2      ILE  44 -10.633  -5.489   1.555
  349   HG23  ILE  44          3HG2      ILE  44 -10.914  -7.228   1.608
  350   HD11  ILE  44          3HD1      ILE  44 -12.030  -3.862   4.478
  351   HD12  ILE  44          1HD1      ILE  44 -13.497  -3.907   3.504
  352   HD13  ILE  44          2HD1      ILE  44 -11.921  -3.811   2.720
  353    H    ASP  45           H        ASP  45 -10.036  -6.518   6.292
  354    HA   ASP  45           HA       ASP  45 -12.234  -7.405   7.994
  355    HB2  ASP  45           1HB      ASP  45 -10.875  -6.971   9.872
  356    HB3  ASP  45           2HB      ASP  45  -9.796  -7.695   8.694
  Start of MODEL   18
    1    H    PHE   1           1H       PHE   1   8.072 -14.213   1.299
    2    HA   PHE   1           HA       PHE   1   5.755 -14.434   0.734
    3    HB2  PHE   1           1HB      PHE   1   6.333 -14.250   3.694
    4    HB3  PHE   1           2HB      PHE   1   4.923 -15.042   3.004
    5    HD1  PHE   1           HD2      PHE   1   5.692 -16.708   0.957
    6    HD2  PHE   1           HD1      PHE   1   7.961 -15.680   4.406
    7    HE1  PHE   1           HE2      PHE   1   6.969 -18.798   0.733
    8    HE2  PHE   1           HE1      PHE   1   9.246 -17.766   4.187
    9    HZ   PHE   1           HZ       PHE   1   8.747 -19.328   2.350
   10    H    PHE   2           H        PHE   2   6.373 -11.675   2.896
   11    HA   PHE   2           HA       PHE   2   3.759 -10.903   3.363
   12    HB2  PHE   2           1HB      PHE   2   6.331  -9.382   3.272
   13    HB3  PHE   2           2HB      PHE   2   4.812  -8.517   3.485
   14    HD1  PHE   2           HD2      PHE   2   3.239  -9.531   5.346
   15    HD2  PHE   2           HD1      PHE   2   7.453 -10.084   5.156
   16    HE1  PHE   2           HE2      PHE   2   3.277 -10.031   7.754
   17    HE2  PHE   2           HE1      PHE   2   7.498 -10.585   7.563
   18    HZ   PHE   2           HZ       PHE   2   5.409 -10.557   8.865
   19    H    ASP   3           H        ASP   3   5.862  -9.511   0.794
   20    HA   ASP   3           HA       ASP   3   3.461  -8.372  -0.364
   21    HB2  ASP   3           1HB      ASP   3   4.926  -7.193  -1.921
   22    HB3  ASP   3           2HB      ASP   3   5.360  -6.889  -0.246
   23    H    GLU   4           H        GLU   4   5.090 -11.201  -0.622
   24    HA   GLU   4           HA       GLU   4   4.479 -11.863  -3.325
   25    HB2  GLU   4           1HB      GLU   4   5.974 -13.234  -1.886
   26    HB3  GLU   4           2HB      GLU   4   4.598 -13.647  -0.875
   27    HG2  GLU   4           1HG      GLU   4   3.547 -14.735  -2.836
   28    HG3  GLU   4           2HG      GLU   4   5.019 -14.412  -3.753
   29    H    LYS   5           H        LYS   5   2.851 -12.134  -0.229
   30    HA   LYS   5           HA       LYS   5   0.316 -12.962  -1.113
   31    HB2  LYS   5           1HB      LYS   5   1.225 -12.862   1.262
   32    HB3  LYS   5           2HB      LYS   5   0.915 -11.136   1.215
   33    HG2  LYS   5           1HG      LYS   5  -0.887 -12.155   2.359
   34    HG3  LYS   5           2HG      LYS   5  -1.487 -11.661   0.775
   35    HD2  LYS   5           1HD      LYS   5  -1.503 -13.867  -0.026
   36    HD3  LYS   5           2HD      LYS   5  -0.464 -14.440   1.281
   37    HE2  LYS   5           1HE      LYS   5  -2.776 -15.157   1.609
   38    HE3  LYS   5           2HE      LYS   5  -2.257 -14.061   2.888
   39    HZ1  LYS   5           3HZ      LYS   5  -3.413 -12.261   1.739
   40    HZ2  LYS   5           1HZ      LYS   5  -4.469 -13.516   2.145
   41    HZ3  LYS   5           2HZ      LYS   5  -3.939 -13.345   0.551
   42    H    CYS   6           H        CYS   6   1.852  -9.790  -0.801
   43    HA   CYS   6           HA       CYS   6  -0.371  -8.173  -1.325
   44    HB2  CYS   6           1HB      CYS   6   1.834  -7.329  -0.516
   45    HB3  CYS   6           2HB      CYS   6   2.511  -7.639  -2.107
   46    HG   CYS   6           HG       CYS   6   1.341  -5.624  -3.406
   47    H    ASN   7           H        ASN   7   1.934  -9.712  -3.516
   48    HA   ASN   7           HA       ASN   7   1.013  -8.617  -5.930
   49    HB2  ASN   7           1HB      ASN   7   3.123  -9.914  -5.642
   50    HB3  ASN   7           2HB      ASN   7   2.168 -11.378  -5.492
   51   HD21  ASN   7          1HD2      ASN   7   3.115 -12.308  -7.293
   52   HD22  ASN   7          2HD2      ASN   7   2.758 -11.784  -8.901
   53    H    LYS   8           H        LYS   8   0.083 -11.517  -4.171
   54    HA   LYS   8           HA       LYS   8  -1.802 -12.496  -5.992
   55    HB2  LYS   8           1HB      LYS   8  -0.942 -13.803  -4.090
   56    HB3  LYS   8           2HB      LYS   8  -1.816 -12.757  -2.980
   57    HG2  LYS   8           1HG      LYS   8  -2.970 -14.884  -3.354
   58    HG3  LYS   8           2HG      LYS   8  -3.934 -13.506  -3.888
   59    HD2  LYS   8           1HD      LYS   8  -3.196 -13.916  -6.200
   60    HD3  LYS   8           2HD      LYS   8  -2.284 -15.320  -5.647
   61    HE2  LYS   8           1HE      LYS   8  -4.306 -16.422  -4.953
   62    HE3  LYS   8           2HE      LYS   8  -5.260 -14.983  -5.312
   63    HZ1  LYS   8           3HZ      LYS   8  -3.796 -16.651  -7.283
   64    HZ2  LYS   8           1HZ      LYS   8  -4.638 -15.229  -7.651
   65    HZ3  LYS   8           2HZ      LYS   8  -5.469 -16.583  -7.077
   66    H    LEU   9           H        LEU   9  -2.187 -10.226  -3.292
   67    HA   LEU   9           HA       LEU   9  -5.002  -9.878  -3.794
   68    HB2  LEU   9           1HB      LEU   9  -3.037  -8.565  -1.945
   69    HB3  LEU   9           2HB      LEU   9  -4.630  -7.878  -2.180
   70    HG   LEU   9           HG       LEU   9  -4.615  -9.207  -0.169
   71   HD11  LEU   9          1HD1      LEU   9  -6.661  -9.206  -1.516
   72   HD12  LEU   9          2HD1      LEU   9  -6.460 -10.709  -0.616
   73   HD13  LEU   9          3HD1      LEU   9  -6.109 -10.663  -2.343
   74   HD21  LEU   9          3HD2      LEU   9  -2.750 -10.688  -0.749
   75   HD22  LEU   9          1HD2      LEU   9  -3.792 -11.538  -1.892
   76   HD23  LEU   9          2HD2      LEU   9  -4.155 -11.586  -0.167
   77    H    LYS  10           H        LYS  10  -2.306  -8.827  -5.347
   78    HA   LYS  10           HA       LYS  10  -1.927  -7.356  -7.016
   79    HB2  LYS  10           1HB      LYS  10  -4.917  -6.957  -6.873
   80    HB3  LYS  10           2HB      LYS  10  -3.890  -6.276  -8.125
   81    HG2  LYS  10           1HG      LYS  10  -4.229  -9.214  -7.564
   82    HG3  LYS  10           2HG      LYS  10  -5.034  -8.317  -8.854
   83    HD2  LYS  10           1HD      LYS  10  -2.873  -7.784  -9.850
   84    HD3  LYS  10           2HD      LYS  10  -2.047  -8.631  -8.543
   85    HE2  LYS  10           1HE      LYS  10  -3.969  -9.891 -10.491
   86    HE3  LYS  10           2HE      LYS  10  -2.213  -9.984 -10.594
   87    HZ1  LYS  10           3HZ      LYS  10  -3.140 -11.963  -9.580
   88    HZ2  LYS  10           1HZ      LYS  10  -3.876 -11.038  -8.370
   89    HZ3  LYS  10           2HZ      LYS  10  -2.189 -11.123  -8.463
   90    H    GLY  11           H        GLY  11  -1.551  -6.561  -4.363
   91    HA2  GLY  11           1HA      GLY  11  -2.426  -3.788  -4.200
   92    HA3  GLY  11           2HA      GLY  11  -1.489  -4.661  -2.995
   93    H    THR  12           H        THR  12  -0.966  -2.025  -4.046
   94    HA   THR  12           HA       THR  12   1.470  -2.480  -5.643
   95    HB   THR  12           HB       THR  12   0.116   0.180  -5.263
   96    HG1  THR  12           HG1      THR  12  -1.461  -1.194  -6.135
   97   HG21  THR  12          1HG2      THR  12   1.830  -0.930  -7.487
   98   HG22  THR  12          2HG2      THR  12   2.382   0.161  -6.218
   99   HG23  THR  12          3HG2      THR  12   1.185   0.708  -7.391
  100    H    CYS  13           H        CYS  13   3.406  -1.470  -5.025
  101    HA   CYS  13           HA       CYS  13   3.675  -0.843  -2.227
  102    HB2  CYS  13           1HB      CYS  13   6.087  -0.224  -3.132
  103    HB3  CYS  13           2HB      CYS  13   5.599  -1.892  -2.894
  104    HG   CYS  13           HG       CYS  13   6.548  -0.355  -5.649
  105    H    LYS  14           H        LYS  14   2.858   1.001  -1.613
  106    HA   LYS  14           HA       LYS  14   3.885   3.428  -2.873
  107    HB2  LYS  14           1HB      LYS  14   1.645   4.502  -2.552
  108    HB3  LYS  14           2HB      LYS  14   1.676   3.255  -3.790
  109    HG2  LYS  14           1HG      LYS  14   0.623   1.685  -2.307
  110    HG3  LYS  14           2HG      LYS  14   0.706   2.838  -0.973
  111    HD2  LYS  14           1HD      LYS  14  -1.523   2.842  -1.872
  112    HD3  LYS  14           2HD      LYS  14  -0.736   4.372  -2.272
  113    HE2  LYS  14           1HE      LYS  14  -0.307   3.592  -4.527
  114    HE3  LYS  14           2HE      LYS  14  -0.968   2.006  -4.134
  115    HZ1  LYS  14           3HZ      LYS  14  -2.461   4.570  -4.207
  116    HZ2  LYS  14           1HZ      LYS  14  -3.115   3.094  -3.691
  117    HZ3  LYS  14           2HZ      LYS  14  -2.607   3.288  -5.297
  118    H    ASN  15           H        ASN  15   3.734   5.290  -1.418
  119    HA   ASN  15           HA       ASN  15   4.452   4.464   1.262
  120    HB2  ASN  15           1HB      ASN  15   5.709   6.191  -0.023
  121    HB3  ASN  15           2HB      ASN  15   4.313   7.236   0.080
  122   HD21  ASN  15          1HD2      ASN  15   6.955   5.820   1.809
  123   HD22  ASN  15          2HD2      ASN  15   6.804   6.782   3.238
  124    H    ASN  16           H        ASN  16   2.066   6.486  -0.317
  125    HA   ASN  16           HA       ASN  16   0.479   6.544   2.170
  126    HB2  ASN  16           1HB      ASN  16   0.288   8.360  -0.246
  127    HB3  ASN  16           2HB      ASN  16  -0.634   8.521   1.245
  128   HD21  ASN  16          1HD2      ASN  16   2.482   8.834  -0.249
  129   HD22  ASN  16          2HD2      ASN  16   3.202   9.808   0.989
  130    H    CYS  17           H        CYS  17  -1.380   5.442   2.226
  131    HA   CYS  17           HA       CYS  17  -2.147   3.812   0.017
  132    HB2  CYS  17           1HB      CYS  17  -3.852   4.364   2.443
  133    HB3  CYS  17           2HB      CYS  17  -3.814   2.920   1.446
  134    HG   CYS  17           HG       CYS  17  -1.133   2.300   2.297
  135    H    GLY  18           H        GLY  18  -3.804   4.035  -1.408
  136    HA2  GLY  18           1HA      GLY  18  -4.827   6.764  -1.669
  137    HA3  GLY  18           2HA      GLY  18  -4.792   5.538  -2.926
  138    H    LYS  19           H        LYS  19  -6.958   6.114  -3.365
  139    HA   LYS  19           HA       LYS  19  -9.121   6.166  -1.719
  140    HB2  LYS  19           1HB      LYS  19 -10.408   5.300  -3.757
  141    HB3  LYS  19           2HB      LYS  19  -9.473   6.774  -3.948
  142    HG2  LYS  19           1HG      LYS  19  -8.826   5.719  -5.843
  143    HG3  LYS  19           2HG      LYS  19  -7.627   5.028  -4.749
  144    HD2  LYS  19           1HD      LYS  19  -9.298   3.134  -4.388
  145    HD3  LYS  19           2HD      LYS  19 -10.157   3.776  -5.789
  146    HE2  LYS  19           1HE      LYS  19  -8.708   2.023  -6.536
  147    HE3  LYS  19           2HE      LYS  19  -8.049   3.560  -7.094
  148    HZ1  LYS  19           3HZ      LYS  19  -7.110   2.017  -4.736
  149    HZ2  LYS  19           1HZ      LYS  19  -6.487   3.509  -5.236
  150    HZ3  LYS  19           2HZ      LYS  19  -6.311   2.146  -6.220
  151    H    ASN  20           H        ASN  20  -9.788   4.837  -0.236
  152    HA   ASN  20           HA       ASN  20 -10.504   2.984   0.858
  153    HB2  ASN  20           1HB      ASN  20 -12.029   3.056  -1.164
  154    HB3  ASN  20           2HB      ASN  20 -11.000   1.826  -1.886
  155   HD21  ASN  20          1HD2      ASN  20 -12.698   0.366  -1.962
  156   HD22  ASN  20          2HD2      ASN  20 -13.279  -0.438  -0.548
  157    H    GLU  21           H        GLU  21  -7.857   2.976   0.879
  158    HA   GLU  21           HA       GLU  21  -7.163   0.167   0.344
  159    HB2  GLU  21           1HB      GLU  21  -5.417   2.614   0.043
  160    HB3  GLU  21           2HB      GLU  21  -4.788   0.975   0.045
  161    HG2  GLU  21           1HG      GLU  21  -6.378   0.534  -1.886
  162    HG3  GLU  21           2HG      GLU  21  -6.600   2.278  -1.962
  163    H    GLU  22           H        GLU  22  -5.457  -0.691   1.728
  164    HA   GLU  22           HA       GLU  22  -5.124   0.722   4.281
  165    HB2  GLU  22           1HB      GLU  22  -5.578  -1.236   5.571
  166    HB3  GLU  22           2HB      GLU  22  -6.923  -1.046   4.455
  167    HG2  GLU  22           1HG      GLU  22  -6.094  -2.790   3.049
  168    HG3  GLU  22           2HG      GLU  22  -4.593  -2.880   3.966
  169    H    LEU  23           H        LEU  23  -3.250   0.042   5.476
  170    HA   LEU  23           HA       LEU  23  -1.032  -0.743   3.806
  171    HB2  LEU  23           1HB      LEU  23  -1.177   0.878   5.920
  172    HB3  LEU  23           2HB      LEU  23  -0.835  -0.603   6.768
  173    HG   LEU  23           HG       LEU  23   0.923   0.597   4.632
  174   HD11  LEU  23          1HD1      LEU  23   1.174   0.594   7.637
  175   HD12  LEU  23          2HD1      LEU  23   0.895   1.999   6.609
  176   HD13  LEU  23          3HD1      LEU  23   2.422   1.126   6.513
  177   HD21  LEU  23          3HD2      LEU  23   1.357  -1.688   6.536
  178   HD22  LEU  23          1HD2      LEU  23   2.547  -1.041   5.407
  179   HD23  LEU  23          2HD2      LEU  23   1.087  -1.824   4.800
  180    H    ILE  24           H        ILE  24  -0.654  -2.792   3.370
  181    HA   ILE  24           HA       ILE  24  -1.751  -4.868   5.127
  182    HB   ILE  24           HB       ILE  24  -2.254  -6.084   3.308
  183   HG12  ILE  24          1HG1      ILE  24   0.164  -5.199   1.760
  184   HG13  ILE  24          2HG1      ILE  24   0.302  -6.412   3.028
  185   HG21  ILE  24          1HG2      ILE  24  -1.549  -3.505   1.924
  186   HG22  ILE  24          2HG2      ILE  24  -3.104  -3.932   2.639
  187   HG23  ILE  24          3HG2      ILE  24  -2.514  -4.804   1.224
  188   HD11  ILE  24          3HD1      ILE  24  -1.352  -6.573   0.541
  189   HD12  ILE  24          1HD1      ILE  24  -1.397  -7.745   1.859
  190   HD13  ILE  24          2HD1      ILE  24   0.094  -7.505   0.945
  191    H    ALA  25           H        ALA  25   1.225  -3.781   3.612
  192    HA   ALA  25           HA       ALA  25   2.817  -5.395   5.413
  193    HB1  ALA  25           3HB      ALA  25   2.268  -6.948   3.537
  194    HB2  ALA  25           1HB      ALA  25   3.994  -6.621   3.702
  195    HB3  ALA  25           2HB      ALA  25   3.065  -5.828   2.434
  196    H    LEU  26           H        LEU  26   5.150  -4.990   5.046
  197    HA   LEU  26           HA       LEU  26   5.486  -2.163   4.351
  198    HB2  LEU  26           1HB      LEU  26   6.904  -4.000   6.250
  199    HB3  LEU  26           2HB      LEU  26   7.566  -2.433   5.809
  200    HG   LEU  26           HG       LEU  26   4.906  -2.898   7.169
  201   HD11  LEU  26          1HD1      LEU  26   5.987  -1.932   9.131
  202   HD12  LEU  26          2HD1      LEU  26   7.515  -1.853   8.254
  203   HD13  LEU  26          3HD1      LEU  26   6.788  -3.417   8.621
  204   HD21  LEU  26          3HD2      LEU  26   4.852  -0.897   5.801
  205   HD22  LEU  26          1HD2      LEU  26   6.380  -0.354   6.494
  206   HD23  LEU  26          2HD2      LEU  26   4.940  -0.454   7.504
  207    H    CYS  27           H        CYS  27   7.077  -1.503   2.985
  208    HA   CYS  27           HA       CYS  27   8.460  -3.637   1.501
  209    HB2  CYS  27           1HB      CYS  27   7.473  -0.939   0.555
  210    HB3  CYS  27           2HB      CYS  27   8.414  -2.050  -0.430
  211    HG   CYS  27           HG       CYS  27   6.502  -3.749  -1.010
  212    H    GLN  28           H        GLN  28  10.477  -2.813   0.378
  213    HA   GLN  28           HA       GLN  28  12.223  -1.599   2.275
  214    HB2  GLN  28           1HB      GLN  28  12.670  -2.199  -0.645
  215    HB3  GLN  28           2HB      GLN  28  13.920  -1.760   0.506
  216    HG2  GLN  28           1HG      GLN  28  12.191  -4.216   0.703
  217    HG3  GLN  28           2HG      GLN  28  13.829  -4.179   0.053
  218   HE21  GLN  28          1HE2      GLN  28  11.876  -3.929   2.926
  219   HE22  GLN  28          2HE2      GLN  28  13.170  -4.091   4.060
  220    H    LYS  29           H        LYS  29  13.713   0.206   1.407
  221    HA   LYS  29           HA       LYS  29  13.901   2.445   1.241
  222    HB2  LYS  29           1HB      LYS  29  13.468   3.404  -0.834
  223    HB3  LYS  29           2HB      LYS  29  13.858   1.720  -1.127
  224    HG2  LYS  29           1HG      LYS  29  11.089   1.960  -0.765
  225    HG3  LYS  29           2HG      LYS  29  11.587   3.170  -1.948
  226    HD2  LYS  29           1HD      LYS  29  12.726   1.402  -3.234
  227    HD3  LYS  29           2HD      LYS  29  12.168   0.206  -2.062
  228    HE2  LYS  29           1HE      LYS  29   9.853   0.727  -2.610
  229    HE3  LYS  29           2HE      LYS  29  10.390   1.962  -3.750
  230    HZ1  LYS  29           3HZ      LYS  29  10.846  -0.963  -3.960
  231    HZ2  LYS  29           1HZ      LYS  29  11.518   0.184  -5.006
  232    HZ3  LYS  29           2HZ      LYS  29   9.842  -0.020  -4.937
  233    H    SER  30           H        SER  30  11.710   1.424   2.703
  234    HA   SER  30           HA       SER  30  10.241   2.280   4.200
  235    HB2  SER  30           1HB      SER  30  11.713   4.283   4.181
  236    HB3  SER  30           2HB      SER  30  10.727   4.961   2.889
  237    HG   SER  30           HG       SER  30   8.918   4.711   4.399
  238    H    LEU  31           H        LEU  31   9.517   1.544   1.281
  239    HA   LEU  31           HA       LEU  31   6.984   2.879   0.984
  240    HB2  LEU  31           1HB      LEU  31   8.471   0.754  -0.444
  241    HB3  LEU  31           2HB      LEU  31   6.767   0.856  -0.697
  242    HG   LEU  31           HG       LEU  31   8.410   2.060  -2.309
  243   HD11  LEU  31          1HD1      LEU  31   5.947   2.129  -2.343
  244   HD12  LEU  31          2HD1      LEU  31   6.688   3.654  -2.839
  245   HD13  LEU  31          3HD1      LEU  31   5.998   3.495  -1.220
  246   HD21  LEU  31          3HD2      LEU  31   8.101   4.171  -0.185
  247   HD22  LEU  31          1HD2      LEU  31   8.872   4.361  -1.757
  248   HD23  LEU  31          2HD2      LEU  31   9.597   3.311  -0.540
  249    H    LYS  32           H        LYS  32   5.136   1.206   0.464
  250    HA   LYS  32           HA       LYS  32   4.953  -0.884   2.481
  251    HB2  LYS  32           1HB      LYS  32   2.991   1.427   2.429
  252    HB3  LYS  32           2HB      LYS  32   2.826  -0.024   3.401
  253    HG2  LYS  32           1HG      LYS  32   3.665   1.370   4.974
  254    HG3  LYS  32           2HG      LYS  32   5.185   0.771   4.314
  255    HD2  LYS  32           1HD      LYS  32   5.316   2.738   2.853
  256    HD3  LYS  32           2HD      LYS  32   3.806   3.339   3.534
  257    HE2  LYS  32           1HE      LYS  32   6.369   2.866   5.051
  258    HE3  LYS  32           2HE      LYS  32   5.749   4.434   4.539
  259    HZ1  LYS  32           3HZ      LYS  32   3.756   3.966   5.926
  260    HZ2  LYS  32           1HZ      LYS  32   5.191   4.115   6.811
  261    HZ3  LYS  32           2HZ      LYS  32   4.535   2.590   6.518
  262    H    CYS  33           H        CYS  33   3.231  -2.350   2.085
  263    HA   CYS  33           HA       CYS  33   2.240  -2.305  -0.645
  264    HB2  CYS  33           1HB      CYS  33   2.013  -4.335   1.582
  265    HB3  CYS  33           2HB      CYS  33   1.323  -4.548  -0.018
  266    HG   CYS  33           HG       CYS  33   4.538  -3.803  -0.199
  267    H    CYS  34           H        CYS  34   0.369  -1.345  -1.087
  268    HA   CYS  34           HA       CYS  34  -1.679  -1.293   1.028
  269    HB2  CYS  34           1HB      CYS  34  -1.249   0.710  -1.200
  270    HB3  CYS  34           2HB      CYS  34  -2.517   0.784   0.021
  271    HG   CYS  34           HG       CYS  34   0.830   0.956   0.721
  272    H    ARG  35           H        ARG  35  -3.571  -2.215   0.586
  273    HA   ARG  35           HA       ARG  35  -4.005  -3.136  -2.183
  274    HB2  ARG  35           1HB      ARG  35  -5.178  -5.050  -1.316
  275    HB3  ARG  35           2HB      ARG  35  -3.628  -4.943  -0.498
  276    HG2  ARG  35           1HG      ARG  35  -4.891  -3.745   1.369
  277    HG3  ARG  35           2HG      ARG  35  -6.357  -4.319   0.578
  278    HD2  ARG  35           1HD      ARG  35  -5.473  -6.642   0.768
  279    HD3  ARG  35           2HD      ARG  35  -4.109  -6.005   1.673
  280    HE   ARG  35           HE       ARG  35  -6.485  -5.137   2.890
  281   HH11  ARG  35          1HH1      ARG  35  -4.652  -8.089   2.415
  282   HH12  ARG  35          2HH1      ARG  35  -5.213  -8.815   3.883
  283   HH21  ARG  35          1HH2      ARG  35  -7.210  -6.079   4.809
  284   HH22  ARG  35          2HH2      ARG  35  -6.678  -7.679   5.246
  285    H    THR  36           H        THR  36  -5.870  -2.650  -3.181
  286    HA   THR  36           HA       THR  36  -7.653  -0.769  -1.932
  287    HB   THR  36           HB       THR  36  -7.862  -2.098  -4.643
  288    HG1  THR  36           HG1      THR  36  -6.101  -0.341  -3.795
  289   HG21  THR  36          1HG2      THR  36  -9.350  -0.219  -5.194
  290   HG22  THR  36          2HG2      THR  36  -9.237   0.354  -3.531
  291   HG23  THR  36          3HG2      THR  36 -10.003  -1.196  -3.879
  292    H    ILE  37           H        ILE  37  -9.390  -1.204  -0.843
  293    HA   ILE  37           HA       ILE  37 -10.149  -3.856  -0.196
  294    HB   ILE  37           HB       ILE  37 -11.595  -1.258   0.311
  295   HG12  ILE  37          1HG1      ILE  37  -9.331  -1.141   1.136
  296   HG13  ILE  37          2HG1      ILE  37 -10.407  -1.362   2.504
  297   HG21  ILE  37          1HG2      ILE  37 -13.041  -3.161   0.662
  298   HG22  ILE  37          2HG2      ILE  37 -12.585  -2.466   2.217
  299   HG23  ILE  37          3HG2      ILE  37 -11.814  -3.947   1.650
  300   HD11  ILE  37          3HD1      ILE  37  -8.761  -3.509   1.189
  301   HD12  ILE  37          1HD1      ILE  37  -9.830  -3.733   2.572
  302   HD13  ILE  37          2HD1      ILE  37  -8.399  -2.713   2.722
  303    H    GLN  38           H        GLN  38 -10.908  -5.032  -1.851
  304    HA   GLN  38           HA       GLN  38 -13.189  -4.013  -3.378
  305    HB2  GLN  38           1HB      GLN  38 -12.815  -6.007  -4.828
  306    HB3  GLN  38           2HB      GLN  38 -11.437  -4.919  -4.764
  307    HG2  GLN  38           1HG      GLN  38 -10.358  -6.412  -3.140
  308    HG3  GLN  38           2HG      GLN  38 -11.729  -7.514  -3.268
  309   HE21  GLN  38          1HE2      GLN  38  -8.925  -7.979  -3.863
  310   HE22  GLN  38          2HE2      GLN  38  -8.856  -8.468  -5.521
  311    HA   PRO  39           HA       PRO  39 -16.055  -6.140  -0.764
  312    HB2  PRO  39           1HB      PRO  39 -17.576  -6.499  -3.299
  313    HB3  PRO  39           2HB      PRO  39 -18.106  -5.818  -1.757
  314    HG2  PRO  39           1HG      PRO  39 -17.593  -4.230  -3.829
  315    HG3  PRO  39           2HG      PRO  39 -17.132  -3.752  -2.184
  316    HD2  PRO  39           1HD      PRO  39 -15.430  -4.795  -4.407
  317    HD3  PRO  39           2HD      PRO  39 -15.065  -3.560  -3.184
  318    H    SER  40           H        SER  40 -15.650  -8.136  -0.095
  319    HA   SER  40           HA       SER  40 -16.028 -10.432  -1.777
  320    HB2  SER  40           1HB      SER  40 -13.262  -9.754  -0.738
  321    HB3  SER  40           2HB      SER  40 -13.717 -11.299  -1.448
  322    HG   SER  40           HG       SER  40 -14.426  -9.247  -3.063
  323    H    GLY  41           H        GLY  41 -15.591 -12.465  -0.496
  324    HA2  GLY  41           1HA      GLY  41 -16.591 -12.100   2.203
  325    HA3  GLY  41           2HA      GLY  41 -16.362 -13.632   1.370
  326    H    SER  42           H        SER  42 -15.483 -12.274   4.024
  327    HA   SER  42           HA       SER  42 -13.809 -12.547   5.515
  328    HB2  SER  42           1HB      SER  42 -13.664 -14.860   4.494
  329    HB3  SER  42           2HB      SER  42 -12.373 -14.244   3.462
  330    HG   SER  42           HG       SER  42 -12.400 -14.665   6.243
  331    H    ILE  43           H        ILE  43 -11.219 -12.328   5.592
  332    HA   ILE  43           HA       ILE  43  -9.437 -10.938   5.365
  333    HB   ILE  43           HB       ILE  43 -10.631 -10.184   2.691
  334   HG12  ILE  43          1HG1      ILE  43 -10.032 -12.550   2.800
  335   HG13  ILE  43          2HG1      ILE  43  -8.902 -11.688   1.762
  336   HG21  ILE  43          1HG2      ILE  43  -9.137  -8.449   3.512
  337   HG22  ILE  43          2HG2      ILE  43  -8.407  -9.306   2.153
  338   HG23  ILE  43          3HG2      ILE  43  -7.877  -9.649   3.799
  339   HD11  ILE  43          3HD1      ILE  43  -7.289 -11.635   3.622
  340   HD12  ILE  43          1HD1      ILE  43  -7.721 -13.273   3.129
  341   HD13  ILE  43          2HD1      ILE  43  -8.417 -12.581   4.593
  342    H    ILE  44           H        ILE  44 -12.260  -9.250   3.978
  343    HA   ILE  44           HA       ILE  44 -12.294  -7.428   6.210
  344    HB   ILE  44           HB       ILE  44 -10.632  -6.351   4.758
  345   HG12  ILE  44          1HG1      ILE  44 -13.258  -4.849   4.714
  346   HG13  ILE  44          2HG1      ILE  44 -12.249  -5.033   6.144
  347   HG21  ILE  44          1HG2      ILE  44 -12.816  -6.190   2.680
  348   HG22  ILE  44          2HG2      ILE  44 -11.430  -7.278   2.614
  349   HG23  ILE  44          3HG2      ILE  44 -11.181  -5.532   2.543
  350   HD11  ILE  44          3HD1      ILE  44 -11.546  -3.595   3.606
  351   HD12  ILE  44          1HD1      ILE  44 -10.429  -3.873   4.940
  352   HD13  ILE  44          2HD1      ILE  44 -11.868  -2.886   5.185
  353    H    ASP  45           H        ASP  45 -14.254  -6.181   6.283
  354    HA   ASP  45           HA       ASP  45 -16.397  -7.493   4.763
  355    HB2  ASP  45           1HB      ASP  45 -16.608  -5.933   7.350
  356    HB3  ASP  45           2HB      ASP  45 -17.891  -6.856   6.577
  Start of MODEL   19
    1    H    PHE   1           1H       PHE   1   9.006 -11.412  -0.360
    2    HA   PHE   1           HA       PHE   1   6.923 -13.403   0.270
    3    HB2  PHE   1           1HB      PHE   1   8.922 -13.671   1.666
    4    HB3  PHE   1           2HB      PHE   1   8.888 -11.959   2.064
    5    HD1  PHE   1           HD1      PHE   1   7.200 -15.185   2.557
    6    HD2  PHE   1           HD2      PHE   1   7.432 -11.109   3.748
    7    HE1  PHE   1           HE1      PHE   1   5.795 -15.680   4.511
    8    HE2  PHE   1           HE2      PHE   1   6.021 -11.597   5.702
    9    HZ   PHE   1           HZ       PHE   1   5.202 -13.886   6.085
   10    H    PHE   2           H        PHE   2   8.047 -10.142   1.230
   11    HA   PHE   2           HA       PHE   2   5.598  -9.366   2.315
   12    HB2  PHE   2           1HB      PHE   2   7.828  -7.666   1.201
   13    HB3  PHE   2           2HB      PHE   2   6.470  -7.032   2.124
   14    HD1  PHE   2           HD2      PHE   2   6.093  -8.686   4.342
   15    HD2  PHE   2           HD1      PHE   2   9.759  -7.709   2.422
   16    HE1  PHE   2           HE2      PHE   2   7.303  -9.143   6.433
   17    HE2  PHE   2           HE1      PHE   2  10.978  -8.167   4.509
   18    HZ   PHE   2           HZ       PHE   2   9.748  -8.885   6.518
   19    H    ASP   3           H        ASP   3   6.950  -8.493  -0.885
   20    HA   ASP   3           HA       ASP   3   4.311  -7.501  -1.568
   21    HB2  ASP   3           1HB      ASP   3   5.271  -6.533  -3.552
   22    HB3  ASP   3           2HB      ASP   3   6.206  -6.065  -2.141
   23    H    GLU   4           H        GLU   4   5.811 -10.406  -1.705
   24    HA   GLU   4           HA       GLU   4   4.621 -11.345  -4.139
   25    HB2  GLU   4           1HB      GLU   4   6.427 -12.594  -2.910
   26    HB3  GLU   4           2HB      GLU   4   5.253 -12.952  -1.649
   27    HG2  GLU   4           1HG      GLU   4   3.859 -14.108  -3.326
   28    HG3  GLU   4           2HG      GLU   4   5.120 -13.825  -4.524
   29    H    LYS   5           H        LYS   5   3.748 -11.150  -0.758
   30    HA   LYS   5           HA       LYS   5   1.079 -12.002  -0.923
   31    HB2  LYS   5           1HB      LYS   5   2.386 -11.630   1.169
   32    HB3  LYS   5           2HB      LYS   5   2.292  -9.903   0.878
   33    HG2  LYS   5           1HG      LYS   5   0.653 -10.384   2.481
   34    HG3  LYS   5           2HG      LYS   5  -0.215 -10.149   0.963
   35    HD2  LYS   5           1HD      LYS   5  -0.496 -12.500   0.677
   36    HD3  LYS   5           2HD      LYS   5   0.600 -12.852   2.014
   37    HE2  LYS   5           1HE      LYS   5  -2.094 -11.509   2.202
   38    HE3  LYS   5           2HE      LYS   5  -1.707 -13.149   2.713
   39    HZ1  LYS   5           3HZ      LYS   5  -0.594 -10.652   3.879
   40    HZ2  LYS   5           1HZ      LYS   5  -0.173 -12.220   4.353
   41    HZ3  LYS   5           2HZ      LYS   5  -1.748 -11.656   4.594
   42    H    CYS   6           H        CYS   6   2.616  -8.829  -1.296
   43    HA   CYS   6           HA       CYS   6   0.341  -7.253  -1.586
   44    HB2  CYS   6           1HB      CYS   6   2.742  -6.482  -1.344
   45    HB3  CYS   6           2HB      CYS   6   2.963  -6.853  -3.047
   46    HG   CYS   6           HG       CYS   6   1.283  -4.914  -4.002
   47    H    ASN   7           H        ASN   7   2.255  -8.918  -4.073
   48    HA   ASN   7           HA       ASN   7   0.780  -8.147  -6.320
   49    HB2  ASN   7           1HB      ASN   7   2.990  -9.310  -6.335
   50    HB3  ASN   7           2HB      ASN   7   2.170 -10.793  -5.879
   51   HD21  ASN   7          1HD2      ASN   7   2.811 -11.844  -7.746
   52   HD22  ASN   7          2HD2      ASN   7   2.131 -11.483  -9.292
   53    H    LYS   8           H        LYS   8   0.412 -10.870  -4.132
   54    HA   LYS   8           HA       LYS   8  -1.647 -12.228  -5.430
   55    HB2  LYS   8           1HB      LYS   8  -0.377 -13.149  -3.532
   56    HB3  LYS   8           2HB      LYS   8  -1.155 -11.999  -2.455
   57    HG2  LYS   8           1HG      LYS   8  -2.204 -14.141  -2.221
   58    HG3  LYS   8           2HG      LYS   8  -3.335 -13.027  -2.992
   59    HD2  LYS   8           1HD      LYS   8  -2.746 -13.973  -5.183
   60    HD3  LYS   8           2HD      LYS   8  -1.650 -15.105  -4.389
   61    HE2  LYS   8           1HE      LYS   8  -4.635 -14.932  -3.997
   62    HE3  LYS   8           2HE      LYS   8  -3.773 -16.173  -4.905
   63    HZ1  LYS   8           3HZ      LYS   8  -4.335 -16.979  -2.725
   64    HZ2  LYS   8           1HZ      LYS   8  -3.558 -15.669  -1.987
   65    HZ3  LYS   8           2HZ      LYS   8  -2.656 -16.815  -2.839
   66    H    LEU   9           H        LEU   9  -1.804  -9.589  -3.066
   67    HA   LEU   9           HA       LEU   9  -4.696  -9.529  -3.163
   68    HB2  LEU   9           1HB      LEU   9  -2.642  -7.869  -1.732
   69    HB3  LEU   9           2HB      LEU   9  -4.325  -7.393  -1.772
   70    HG   LEU   9           HG       LEU   9  -3.926  -8.493   0.303
   71   HD11  LEU   9          1HD1      LEU   9  -5.498 -10.326   0.230
   72   HD12  LEU   9          2HD1      LEU   9  -5.326 -10.436  -1.522
   73   HD13  LEU   9          3HD1      LEU   9  -6.054  -9.003  -0.795
   74   HD21  LEU   9          3HD2      LEU   9  -3.040 -10.737   0.496
   75   HD22  LEU   9          1HD2      LEU   9  -1.886  -9.689  -0.332
   76   HD23  LEU   9          2HD2      LEU   9  -2.858 -10.837  -1.255
   77    H    LYS  10           H        LYS  10  -2.316  -8.464  -5.153
   78    HA   LYS  10           HA       LYS  10  -2.242  -7.105  -6.954
   79    HB2  LYS  10           1HB      LYS  10  -5.201  -7.057  -6.439
   80    HB3  LYS  10           2HB      LYS  10  -4.491  -6.088  -7.719
   81    HG2  LYS  10           1HG      LYS  10  -4.254  -9.080  -7.465
   82    HG3  LYS  10           2HG      LYS  10  -5.374  -8.229  -8.531
   83    HD2  LYS  10           1HD      LYS  10  -2.362  -8.044  -8.641
   84    HD3  LYS  10           2HD      LYS  10  -3.369  -9.003  -9.725
   85    HE2  LYS  10           1HE      LYS  10  -4.418  -7.028 -10.593
   86    HE3  LYS  10           2HE      LYS  10  -3.606  -6.016  -9.401
   87    HZ1  LYS  10           3HZ      LYS  10  -2.514  -5.852 -11.517
   88    HZ2  LYS  10           1HZ      LYS  10  -2.298  -7.528 -11.590
   89    HZ3  LYS  10           2HZ      LYS  10  -1.486  -6.619 -10.416
   90    H    GLY  11           H        GLY  11  -1.652  -6.109  -4.378
   91    HA2  GLY  11           1HA      GLY  11  -2.586  -3.325  -4.487
   92    HA3  GLY  11           2HA      GLY  11  -1.773  -4.084  -3.124
   93    H    THR  12           H        THR  12  -0.805  -1.724  -3.774
   94    HA   THR  12           HA       THR  12   1.647  -2.318  -5.312
   95    HB   THR  12           HB       THR  12   0.526   0.456  -5.049
   96    HG1  THR  12           HG1      THR  12  -0.247  -1.580  -6.879
   97   HG21  THR  12          1HG2      THR  12   1.751   0.825  -7.134
   98   HG22  THR  12          2HG2      THR  12   2.235  -0.871  -7.157
   99   HG23  THR  12          3HG2      THR  12   2.817   0.196  -5.878
  100    H    CYS  13           H        CYS  13   3.594  -1.479  -4.465
  101    HA   CYS  13           HA       CYS  13   3.501  -0.724  -1.656
  102    HB2  CYS  13           1HB      CYS  13   6.026  -0.847  -3.301
  103    HB3  CYS  13           2HB      CYS  13   5.818  -1.095  -1.576
  104    HG   CYS  13           HG       CYS  13   6.008  -3.633  -1.828
  105    H    LYS  14           H        LYS  14   2.848   1.325  -1.416
  106    HA   LYS  14           HA       LYS  14   4.279   3.398  -2.943
  107    HB2  LYS  14           1HB      LYS  14   1.776   4.400  -1.982
  108    HB3  LYS  14           2HB      LYS  14   2.351   4.303  -3.636
  109    HG2  LYS  14           1HG      LYS  14   1.517   1.968  -3.714
  110    HG3  LYS  14           2HG      LYS  14   0.853   2.209  -2.096
  111    HD2  LYS  14           1HD      LYS  14  -0.286   4.287  -3.158
  112    HD3  LYS  14           2HD      LYS  14   0.022   3.449  -4.685
  113    HE2  LYS  14           1HE      LYS  14  -1.135   1.464  -3.781
  114    HE3  LYS  14           2HE      LYS  14  -1.491   2.381  -2.319
  115    HZ1  LYS  14           3HZ      LYS  14  -2.710   3.976  -3.729
  116    HZ2  LYS  14           1HZ      LYS  14  -3.390   2.424  -3.740
  117    HZ3  LYS  14           2HZ      LYS  14  -2.468   2.961  -5.057
  118    H    ASN  15           H        ASN  15   3.995   5.582  -1.798
  119    HA   ASN  15           HA       ASN  15   4.923   5.384   0.895
  120    HB2  ASN  15           1HB      ASN  15   5.323   7.224  -0.922
  121    HB3  ASN  15           2HB      ASN  15   3.836   7.880  -0.291
  122   HD21  ASN  15          1HD2      ASN  15   6.490   9.017  -0.230
  123   HD22  ASN  15          2HD2      ASN  15   6.870   9.279   1.438
  124    H    ASN  16           H        ASN  16   2.003   6.404  -0.728
  125    HA   ASN  16           HA       ASN  16   0.573   6.493   1.860
  126    HB2  ASN  16           1HB      ASN  16   0.017   8.088  -0.650
  127    HB3  ASN  16           2HB      ASN  16  -0.886   8.192   0.858
  128   HD21  ASN  16          1HD2      ASN  16   2.177   8.813  -0.689
  129   HD22  ASN  16          2HD2      ASN  16   2.724  10.010   0.441
  130    H    CYS  17           H        CYS  17  -1.510   5.647   1.953
  131    HA   CYS  17           HA       CYS  17  -2.167   3.664  -0.038
  132    HB2  CYS  17           1HB      CYS  17  -3.805   4.531   2.353
  133    HB3  CYS  17           2HB      CYS  17  -3.959   3.033   1.447
  134    HG   CYS  17           HG       CYS  17  -1.225   2.309   2.223
  135    H    GLY  18           H        GLY  18  -3.948   3.694  -1.391
  136    HA2  GLY  18           1HA      GLY  18  -4.837   6.374  -2.123
  137    HA3  GLY  18           2HA      GLY  18  -5.091   4.897  -3.044
  138    H    LYS  19           H        LYS  19  -7.283   5.666  -3.304
  139    HA   LYS  19           HA       LYS  19  -9.017   5.982  -1.101
  140    HB2  LYS  19           1HB      LYS  19 -10.843   5.718  -2.802
  141    HB3  LYS  19           2HB      LYS  19  -9.667   6.968  -3.164
  142    HG2  LYS  19           1HG      LYS  19  -9.875   6.013  -5.218
  143    HG3  LYS  19           2HG      LYS  19  -8.553   5.040  -4.575
  144    HD2  LYS  19           1HD      LYS  19 -10.171   3.305  -3.916
  145    HD3  LYS  19           2HD      LYS  19 -11.476   4.280  -4.598
  146    HE2  LYS  19           1HE      LYS  19  -9.136   3.117  -6.103
  147    HE3  LYS  19           2HE      LYS  19 -10.796   2.533  -6.149
  148    HZ1  LYS  19           3HZ      LYS  19 -11.444   4.709  -7.074
  149    HZ2  LYS  19           1HZ      LYS  19 -10.366   3.871  -8.070
  150    HZ3  LYS  19           2HZ      LYS  19  -9.815   5.158  -7.128
  151    H    ASN  20           H        ASN  20 -10.028   4.582   0.144
  152    HA   ASN  20           HA       ASN  20 -10.713   2.638   1.089
  153    HB2  ASN  20           1HB      ASN  20 -12.274   2.823  -0.865
  154    HB3  ASN  20           2HB      ASN  20 -11.196   1.768  -1.769
  155   HD21  ASN  20          1HD2      ASN  20 -11.813   1.340   1.649
  156   HD22  ASN  20          2HD2      ASN  20 -12.725  -0.120   1.489
  157    H    GLU  21           H        GLU  21  -8.167   2.609   1.300
  158    HA   GLU  21           HA       GLU  21  -7.309  -0.079   0.499
  159    HB2  GLU  21           1HB      GLU  21  -5.829   2.505   0.132
  160    HB3  GLU  21           2HB      GLU  21  -4.946   0.998   0.333
  161    HG2  GLU  21           1HG      GLU  21  -6.169   0.077  -1.601
  162    HG3  GLU  21           2HG      GLU  21  -6.947   1.642  -1.822
  163    H    GLU  22           H        GLU  22  -5.936  -1.133   1.911
  164    HA   GLU  22           HA       GLU  22  -5.480   0.207   4.499
  165    HB2  GLU  22           1HB      GLU  22  -5.771  -1.909   5.630
  166    HB3  GLU  22           2HB      GLU  22  -7.190  -1.596   4.643
  167    HG2  GLU  22           1HG      GLU  22  -6.465  -3.173   2.994
  168    HG3  GLU  22           2HG      GLU  22  -4.917  -3.378   3.808
  169    H    LEU  23           H        LEU  23  -3.602  -0.645   5.696
  170    HA   LEU  23           HA       LEU  23  -1.351  -1.021   3.905
  171    HB2  LEU  23           1HB      LEU  23  -1.637   0.372   6.214
  172    HB3  LEU  23           2HB      LEU  23  -0.958  -1.124   6.821
  173    HG   LEU  23           HG       LEU  23   1.043  -0.846   5.507
  174   HD11  LEU  23          1HD1      LEU  23   1.163   1.406   4.208
  175   HD12  LEU  23          2HD1      LEU  23  -0.592   1.254   4.164
  176   HD13  LEU  23          3HD1      LEU  23   0.423  -0.012   3.464
  177   HD21  LEU  23          3HD2      LEU  23   0.845   0.403   7.638
  178   HD22  LEU  23          1HD2      LEU  23   0.294   1.807   6.727
  179   HD23  LEU  23          2HD2      LEU  23   1.921   1.175   6.474
  180    H    ILE  24           H        ILE  24  -0.859  -2.982   3.287
  181    HA   ILE  24           HA       ILE  24  -1.857  -5.245   4.850
  182    HB   ILE  24           HB       ILE  24  -2.176  -6.392   2.897
  183   HG12  ILE  24          1HG1      ILE  24  -0.383  -4.935   1.087
  184   HG13  ILE  24          2HG1      ILE  24   0.460  -5.758   2.396
  185   HG21  ILE  24          1HG2      ILE  24  -3.462  -4.376   2.684
  186   HG22  ILE  24          2HG2      ILE  24  -2.840  -4.836   1.100
  187   HG23  ILE  24          3HG2      ILE  24  -2.082  -3.523   1.995
  188   HD11  ILE  24          3HD1      ILE  24  -1.419  -7.006   0.419
  189   HD12  ILE  24          1HD1      ILE  24  -0.662  -7.836   1.777
  190   HD13  ILE  24          2HD1      ILE  24   0.336  -7.183   0.479
  191    H    ALA  25           H        ALA  25   1.083  -3.778   3.738
  192    HA   ALA  25           HA       ALA  25   2.693  -5.503   5.353
  193    HB1  ALA  25           3HB      ALA  25   3.004  -5.779   2.361
  194    HB2  ALA  25           1HB      ALA  25   2.303  -6.997   3.425
  195    HB3  ALA  25           2HB      ALA  25   4.002  -6.549   3.595
  196    H    LEU  26           H        LEU  26   4.966  -4.980   5.201
  197    HA   LEU  26           HA       LEU  26   5.401  -2.242   4.230
  198    HB2  LEU  26           1HB      LEU  26   5.314  -2.269   6.594
  199    HB3  LEU  26           2HB      LEU  26   6.388  -3.634   6.713
  200    HG   LEU  26           HG       LEU  26   7.336  -1.433   7.434
  201   HD11  LEU  26          1HD1      LEU  26   8.833  -3.230   6.820
  202   HD12  LEU  26          2HD1      LEU  26   9.490  -1.670   6.323
  203   HD13  LEU  26          3HD1      LEU  26   8.756  -2.740   5.127
  204   HD21  LEU  26          3HD2      LEU  26   7.984   0.202   5.771
  205   HD22  LEU  26          1HD2      LEU  26   6.237  -0.032   5.773
  206   HD23  LEU  26          2HD2      LEU  26   7.223  -0.759   4.505
  207    H    CYS  27           H        CYS  27   7.101  -1.871   3.031
  208    HA   CYS  27           HA       CYS  27   8.630  -4.230   2.144
  209    HB2  CYS  27           1HB      CYS  27   7.399  -1.946   0.645
  210    HB3  CYS  27           2HB      CYS  27   8.773  -2.794  -0.044
  211    HG   CYS  27           HG       CYS  27   5.673  -4.055   0.646
  212    H    GLN  28           H        GLN  28  10.574  -3.264   0.666
  213    HA   GLN  28           HA       GLN  28  12.263  -1.886   2.549
  214    HB2  GLN  28           1HB      GLN  28  12.929  -2.630  -0.294
  215    HB3  GLN  28           2HB      GLN  28  14.054  -2.278   1.004
  216    HG2  GLN  28           1HG      GLN  28  12.272  -4.680   0.740
  217    HG3  GLN  28           2HG      GLN  28  14.030  -4.632   0.644
  218   HE21  GLN  28          1HE2      GLN  28  12.294  -6.175   2.388
  219   HE22  GLN  28          2HE2      GLN  28  12.756  -5.768   4.006
  220    H    LYS  29           H        LYS  29  13.675  -0.073   1.630
  221    HA   LYS  29           HA       LYS  29  13.868   2.068   0.886
  222    HB2  LYS  29           1HB      LYS  29  11.655   1.342  -1.025
  223    HB3  LYS  29           2HB      LYS  29  12.715   2.736  -1.159
  224    HG2  LYS  29           1HG      LYS  29  14.616   1.274  -1.525
  225    HG3  LYS  29           2HG      LYS  29  13.586  -0.141  -1.315
  226    HD2  LYS  29           1HD      LYS  29  13.359   1.936  -3.494
  227    HD3  LYS  29           2HD      LYS  29  13.960   0.288  -3.678
  228    HE2  LYS  29           1HE      LYS  29  11.151   1.077  -2.888
  229    HE3  LYS  29           2HE      LYS  29  11.656   0.487  -4.469
  230    HZ1  LYS  29           3HZ      LYS  29  10.680  -1.297  -3.235
  231    HZ2  LYS  29           1HZ      LYS  29  11.707  -1.030  -1.918
  232    HZ3  LYS  29           2HZ      LYS  29  12.335  -1.599  -3.377
  233    H    SER  30           H        SER  30  11.610   0.967   2.696
  234    HA   SER  30           HA       SER  30  10.128   1.834   4.160
  235    HB2  SER  30           1HB      SER  30  10.746   4.515   2.900
  236    HB3  SER  30           2HB      SER  30   9.917   4.252   4.435
  237    HG   SER  30           HG       SER  30  12.003   2.961   4.869
  238    H    LEU  31           H        LEU  31   9.504   1.197   1.172
  239    HA   LEU  31           HA       LEU  31   7.023   2.582   0.777
  240    HB2  LEU  31           1HB      LEU  31   8.439   0.321  -0.590
  241    HB3  LEU  31           2HB      LEU  31   6.767   0.650  -0.958
  242    HG   LEU  31           HG       LEU  31   8.424   1.653  -2.527
  243   HD11  LEU  31          1HD1      LEU  31   7.296   3.812  -2.687
  244   HD12  LEU  31          2HD1      LEU  31   6.643   3.591  -1.062
  245   HD13  LEU  31          3HD1      LEU  31   6.153   2.509  -2.368
  246   HD21  LEU  31          3HD2      LEU  31   9.008   3.545  -0.273
  247   HD22  LEU  31          1HD2      LEU  31   9.637   3.632  -1.918
  248   HD23  LEU  31          2HD2      LEU  31  10.107   2.302  -0.861
  249    H    LYS  32           H        LYS  32   4.933   1.634   0.809
  250    HA   LYS  32           HA       LYS  32   4.680  -0.698   2.596
  251    HB2  LYS  32           1HB      LYS  32   3.315   1.961   2.653
  252    HB3  LYS  32           2HB      LYS  32   2.468   0.538   3.235
  253    HG2  LYS  32           1HG      LYS  32   3.789   0.312   5.063
  254    HG3  LYS  32           2HG      LYS  32   5.197   1.054   4.279
  255    HD2  LYS  32           1HD      LYS  32   4.066   3.242   4.399
  256    HD3  LYS  32           2HD      LYS  32   2.716   2.483   5.238
  257    HE2  LYS  32           1HE      LYS  32   4.238   1.813   7.045
  258    HE3  LYS  32           2HE      LYS  32   5.567   2.614   6.209
  259    HZ1  LYS  32           3HZ      LYS  32   4.330   4.710   6.402
  260    HZ2  LYS  32           1HZ      LYS  32   4.693   4.041   7.912
  261    HZ3  LYS  32           2HZ      LYS  32   3.129   3.917   7.288
  262    H    CYS  33           H        CYS  33   3.116  -2.189   2.093
  263    HA   CYS  33           HA       CYS  33   2.072  -2.034  -0.600
  264    HB2  CYS  33           1HB      CYS  33   1.974  -4.194   1.504
  265    HB3  CYS  33           2HB      CYS  33   1.292  -4.355  -0.108
  266    HG   CYS  33           HG       CYS  33   3.698  -4.191  -1.446
  267    H    CYS  34           H        CYS  34   0.180  -1.184  -1.032
  268    HA   CYS  34           HA       CYS  34  -1.908  -1.241   1.047
  269    HB2  CYS  34           1HB      CYS  34  -1.652   0.777  -1.185
  270    HB3  CYS  34           2HB      CYS  34  -2.723   0.855   0.210
  271    HG   CYS  34           HG       CYS  34   0.678   0.924   0.543
  272    H    ARG  35           H        ARG  35  -3.719  -2.324   0.544
  273    HA   ARG  35           HA       ARG  35  -4.096  -3.099  -2.279
  274    HB2  ARG  35           1HB      ARG  35  -5.137  -5.114  -1.568
  275    HB3  ARG  35           2HB      ARG  35  -3.687  -4.949  -0.594
  276    HG2  ARG  35           1HG      ARG  35  -5.202  -3.897   1.171
  277    HG3  ARG  35           2HG      ARG  35  -6.541  -4.531   0.217
  278    HD2  ARG  35           1HD      ARG  35  -5.485  -6.802   0.423
  279    HD3  ARG  35           2HD      ARG  35  -4.331  -6.092   1.539
  280    HE   ARG  35           HE       ARG  35  -6.730  -5.376   2.577
  281   HH11  ARG  35          1HH1      ARG  35  -5.309  -8.441   1.674
  282   HH12  ARG  35          2HH1      ARG  35  -6.172  -9.336   2.880
  283   HH21  ARG  35          1HH2      ARG  35  -7.836  -6.525   4.166
  284   HH22  ARG  35          2HH2      ARG  35  -7.619  -8.249   4.296
  285    H    THR  36           H        THR  36  -6.028  -2.763  -3.252
  286    HA   THR  36           HA       THR  36  -7.790  -0.846  -2.015
  287    HB   THR  36           HB       THR  36  -8.223  -2.182  -4.683
  288    HG1  THR  36           HG1      THR  36  -6.417  -0.093  -3.964
  289   HG21  THR  36          1HG2      THR  36  -9.276  -0.051  -5.251
  290   HG22  THR  36          2HG2      THR  36  -8.877   0.590  -3.658
  291   HG23  THR  36          3HG2      THR  36 -10.023  -0.741  -3.812
  292    H    ILE  37           H        ILE  37  -9.434  -1.378  -0.798
  293    HA   ILE  37           HA       ILE  37 -10.135  -4.020  -0.182
  294    HB   ILE  37           HB       ILE  37 -11.691  -1.479   0.285
  295   HG12  ILE  37          1HG1      ILE  37  -9.479  -1.266   1.210
  296   HG13  ILE  37          2HG1      ILE  37 -10.609  -1.540   2.526
  297   HG21  ILE  37          1HG2      ILE  37 -11.896  -4.169   1.608
  298   HG22  ILE  37          2HG2      ILE  37 -13.112  -3.382   0.608
  299   HG23  ILE  37          3HG2      ILE  37 -12.690  -2.704   2.180
  300   HD11  ILE  37          3HD1      ILE  37  -8.563  -2.784   2.858
  301   HD12  ILE  37          1HD1      ILE  37  -8.788  -3.599   1.312
  302   HD13  ILE  37          2HD1      ILE  37  -9.925  -3.875   2.630
  303    H    GLN  38           H        GLN  38 -11.634  -5.389  -0.949
  304    HA   GLN  38           HA       GLN  38 -13.431  -4.518  -3.063
  305    HB2  GLN  38           1HB      GLN  38 -14.101  -6.920  -3.162
  306    HB3  GLN  38           2HB      GLN  38 -12.390  -6.662  -3.443
  307    HG2  GLN  38           1HG      GLN  38 -13.426  -7.403  -0.732
  308    HG3  GLN  38           2HG      GLN  38 -13.105  -8.622  -1.963
  309   HE21  GLN  38          1HE2      GLN  38 -10.833  -7.196  -3.078
  310   HE22  GLN  38          2HE2      GLN  38  -9.541  -7.392  -1.948
  311    HA   PRO  39           HA       PRO  39 -16.563  -3.515  -0.103
  312    HB2  PRO  39           1HB      PRO  39 -18.470  -4.095  -2.292
  313    HB3  PRO  39           2HB      PRO  39 -18.242  -2.610  -1.365
  314    HG2  PRO  39           1HG      PRO  39 -17.434  -2.802  -3.908
  315    HG3  PRO  39           2HG      PRO  39 -16.512  -1.879  -2.708
  316    HD2  PRO  39           1HD      PRO  39 -15.970  -4.588  -3.843
  317    HD3  PRO  39           2HD      PRO  39 -14.835  -3.290  -3.421
  318    H    SER  40           H        SER  40 -17.060  -4.935   1.420
  319    HA   SER  40           HA       SER  40 -19.051  -6.860   1.222
  320    HB2  SER  40           1HB      SER  40 -17.178  -7.980  -0.163
  321    HB3  SER  40           2HB      SER  40 -16.340  -8.187   1.374
  322    HG   SER  40           HG       SER  40 -18.904  -9.192   0.668
  323    H    GLY  41           H        GLY  41 -19.122  -8.227   3.247
  324    HA2  GLY  41           1HA      GLY  41 -18.207  -6.605   5.482
  325    HA3  GLY  41           2HA      GLY  41 -19.339  -7.946   5.560
  326    H    SER  42           H        SER  42 -16.780  -7.217   7.035
  327    HA   SER  42           HA       SER  42 -14.993  -8.274   7.957
  328    HB2  SER  42           1HB      SER  42 -16.286 -10.789   6.867
  329    HB3  SER  42           2HB      SER  42 -15.079 -10.708   8.151
  330    HG   SER  42           HG       SER  42 -17.604 -10.713   8.521
  331    H    ILE  43           H        ILE  43 -13.775 -10.756   6.858
  332    HA   ILE  43           HA       ILE  43 -12.367 -11.523   5.250
  333    HB   ILE  43           HB       ILE  43 -13.455  -9.305   3.507
  334   HG12  ILE  43          1HG1      ILE  43 -14.113 -12.261   3.568
  335   HG13  ILE  43          2HG1      ILE  43 -15.142 -10.983   4.207
  336   HG21  ILE  43          1HG2      ILE  43 -11.787 -11.713   2.780
  337   HG22  ILE  43          2HG2      ILE  43 -11.245 -10.035   2.779
  338   HG23  ILE  43          3HG2      ILE  43 -12.487 -10.561   1.643
  339   HD11  ILE  43          3HD1      ILE  43 -15.376 -10.050   1.969
  340   HD12  ILE  43          1HD1      ILE  43 -15.904 -11.731   2.028
  341   HD13  ILE  43          2HD1      ILE  43 -14.337 -11.323   1.329
  342    H    ILE  44           H        ILE  44 -12.434  -7.967   5.146
  343    HA   ILE  44           HA       ILE  44  -9.525  -7.889   5.014
  344    HB   ILE  44           HB       ILE  44  -9.773  -5.480   4.760
  345   HG12  ILE  44          1HG1      ILE  44 -12.750  -5.946   5.085
  346   HG13  ILE  44          2HG1      ILE  44 -11.710  -5.235   6.313
  347   HG21  ILE  44          1HG2      ILE  44 -11.002  -5.457   2.643
  348   HG22  ILE  44          2HG2      ILE  44 -11.738  -7.004   3.050
  349   HG23  ILE  44          3HG2      ILE  44  -9.998  -6.897   2.782
  350   HD11  ILE  44          3HD1      ILE  44 -12.920  -3.510   5.166
  351   HD12  ILE  44          1HD1      ILE  44 -12.339  -4.089   3.608
  352   HD13  ILE  44          2HD1      ILE  44 -11.208  -3.385   4.760
  353    H    ASP  45           H        ASP  45  -8.436  -6.231   6.500
  354    HA   ASP  45           HA       ASP  45  -9.601  -6.434   9.194
  355    HB2  ASP  45           1HB      ASP  45  -6.720  -6.785   8.361
  356    HB3  ASP  45           2HB      ASP  45  -7.206  -6.505  10.029
  Start of MODEL   20
    1    H    PHE   1           1H       PHE   1  10.809 -10.333   1.205
    2    HA   PHE   1           HA       PHE   1   9.118 -12.018  -0.537
    3    HB2  PHE   1           1HB      PHE   1  10.563 -13.286   1.017
    4    HB3  PHE   1           2HB      PHE   1   9.897 -12.375   2.366
    5    HD1  PHE   1           HD2      PHE   1   8.973 -14.697  -0.369
    6    HD2  PHE   1           HD1      PHE   1   7.948 -13.084   3.434
    7    HE1  PHE   1           HE2      PHE   1   7.157 -16.345  -0.161
    8    HE2  PHE   1           HE1      PHE   1   6.132 -14.728   3.646
    9    HZ   PHE   1           HZ       PHE   1   5.734 -16.361   1.848
   10    H    PHE   2           H        PHE   2   9.286  -9.447   1.817
   11    HA   PHE   2           HA       PHE   2   6.748  -9.504   2.916
   12    HB2  PHE   2           1HB      PHE   2   8.490  -7.169   2.150
   13    HB3  PHE   2           2HB      PHE   2   6.957  -6.965   2.984
   14    HD1  PHE   2           HD2      PHE   2   6.720  -8.498   5.150
   15    HD2  PHE   2           HD1      PHE   2  10.393  -7.232   3.416
   16    HE1  PHE   2           HE2      PHE   2   7.848  -8.819   7.312
   17    HE2  PHE   2           HE1      PHE   2  11.527  -7.549   5.576
   18    HZ   PHE   2           HZ       PHE   2  10.254  -8.344   7.527
   19    H    ASP   3           H        ASP   3   7.708  -7.621   0.029
   20    HA   ASP   3           HA       ASP   3   4.902  -7.271  -0.564
   21    HB2  ASP   3           1HB      ASP   3   5.595  -5.742  -2.310
   22    HB3  ASP   3           2HB      ASP   3   6.349  -5.330  -0.779
   23    H    GLU   4           H        GLU   4   7.075  -9.609  -1.196
   24    HA   GLU   4           HA       GLU   4   6.195 -10.376  -3.798
   25    HB2  GLU   4           1HB      GLU   4   8.223 -11.332  -2.634
   26    HB3  GLU   4           2HB      GLU   4   7.127 -12.202  -1.568
   27    HG2  GLU   4           1HG      GLU   4   6.161 -13.323  -3.550
   28    HG3  GLU   4           2HG      GLU   4   7.374 -12.525  -4.549
   29    H    LYS   5           H        LYS   5   5.206 -11.044  -0.482
   30    HA   LYS   5           HA       LYS   5   2.863 -12.492  -1.126
   31    HB2  LYS   5           1HB      LYS   5   3.815 -12.595   1.110
   32    HB3  LYS   5           2HB      LYS   5   3.573 -10.869   1.321
   33    HG2  LYS   5           1HG      LYS   5   1.890 -12.121   2.531
   34    HG3  LYS   5           2HG      LYS   5   1.149 -11.194   1.225
   35    HD2  LYS   5           1HD      LYS   5   0.127 -13.315   1.145
   36    HD3  LYS   5           2HD      LYS   5   1.305 -13.312  -0.166
   37    HE2  LYS   5           1HE      LYS   5   1.438 -15.416   0.976
   38    HE3  LYS   5           2HE      LYS   5   2.895 -14.491   1.335
   39    HZ1  LYS   5           3HZ      LYS   5   0.530 -14.770   3.109
   40    HZ2  LYS   5           1HZ      LYS   5   1.910 -13.857   3.458
   41    HZ3  LYS   5           2HZ      LYS   5   2.020 -15.536   3.316
   42    H    CYS   6           H        CYS   6   3.600  -9.060  -0.734
   43    HA   CYS   6           HA       CYS   6   0.999  -8.041  -0.893
   44    HB2  CYS   6           1HB      CYS   6   3.047  -6.698  -0.380
   45    HB3  CYS   6           2HB      CYS   6   3.503  -6.815  -2.075
   46    HG   CYS   6           HG       CYS   6   1.494  -5.256  -3.055
   47    H    ASN   7           H        ASN   7   3.322  -8.792  -3.473
   48    HA   ASN   7           HA       ASN   7   1.678  -8.101  -5.650
   49    HB2  ASN   7           1HB      ASN   7   4.146  -8.532  -5.750
   50    HB3  ASN   7           2HB      ASN   7   3.806 -10.248  -5.591
   51   HD21  ASN   7          1HD2      ASN   7   3.638  -7.474  -7.666
   52   HD22  ASN   7          2HD2      ASN   7   3.287  -8.332  -9.123
   53    H    LYS   8           H        LYS   8   2.225 -11.157  -3.983
   54    HA   LYS   8           HA       LYS   8   0.512 -12.811  -5.418
   55    HB2  LYS   8           1HB      LYS   8   2.041 -13.661  -3.728
   56    HB3  LYS   8           2HB      LYS   8   1.166 -12.812  -2.465
   57    HG2  LYS   8           1HG      LYS   8   0.601 -15.134  -2.380
   58    HG3  LYS   8           2HG      LYS   8  -0.807 -14.228  -2.935
   59    HD2  LYS   8           1HD      LYS   8  -0.298 -14.849  -5.244
   60    HD3  LYS   8           2HD      LYS   8   1.118 -15.744  -4.693
   61    HE2  LYS   8           1HE      LYS   8  -0.356 -17.198  -3.357
   62    HE3  LYS   8           2HE      LYS   8  -1.754 -16.328  -3.984
   63    HZ1  LYS   8           3HZ      LYS   8   0.176 -17.948  -5.557
   64    HZ2  LYS   8           1HZ      LYS   8  -1.066 -17.019  -6.230
   65    HZ3  LYS   8           2HZ      LYS   8  -1.439 -18.331  -5.232
   66    H    LEU   9           H        LEU   9  -0.208 -10.497  -2.861
   67    HA   LEU   9           HA       LEU   9  -3.019 -11.243  -2.850
   68    HB2  LEU   9           1HB      LEU   9  -1.478  -9.195  -1.264
   69    HB3  LEU   9           2HB      LEU   9  -3.187  -9.524  -1.064
   70    HG   LEU   9           HG       LEU   9  -0.957 -11.500  -0.563
   71   HD11  LEU   9          1HD1      LEU   9  -1.563 -11.255   1.786
   72   HD12  LEU   9          2HD1      LEU   9  -2.741 -10.014   1.358
   73   HD13  LEU   9          3HD1      LEU   9  -1.020  -9.723   1.101
   74   HD21  LEU   9          3HD2      LEU   9  -3.937 -11.724  -0.152
   75   HD22  LEU   9          1HD2      LEU   9  -2.740 -12.890   0.414
   76   HD23  LEU   9          2HD2      LEU   9  -2.965 -12.626  -1.315
   77    H    LYS  10           H        LYS  10  -1.177  -9.413  -4.800
   78    HA   LYS  10           HA       LYS  10  -1.683  -8.014  -6.501
   79    HB2  LYS  10           1HB      LYS  10  -4.488  -8.606  -5.584
   80    HB3  LYS  10           2HB      LYS  10  -4.171  -7.463  -6.879
   81    HG2  LYS  10           1HG      LYS  10  -4.697  -9.537  -7.888
   82    HG3  LYS  10           2HG      LYS  10  -2.960  -9.298  -8.078
   83    HD2  LYS  10           1HD      LYS  10  -2.490 -10.834  -6.300
   84    HD3  LYS  10           2HD      LYS  10  -4.204 -10.964  -5.898
   85    HE2  LYS  10           1HE      LYS  10  -3.417 -12.908  -7.163
   86    HE3  LYS  10           2HE      LYS  10  -4.650 -12.011  -8.042
   87    HZ1  LYS  10           3HZ      LYS  10  -1.722 -11.922  -8.525
   88    HZ2  LYS  10           1HZ      LYS  10  -2.854 -10.946  -9.316
   89    HZ3  LYS  10           2HZ      LYS  10  -2.890 -12.621  -9.525
   90    H    GLY  11           H        GLY  11  -0.922  -6.992  -3.967
   91    HA2  GLY  11           1HA      GLY  11  -2.380  -4.428  -3.902
   92    HA3  GLY  11           2HA      GLY  11  -1.392  -5.061  -2.592
   93    H    THR  12           H        THR  12  -1.250  -2.466  -3.981
   94    HA   THR  12           HA       THR  12   1.398  -2.697  -5.221
   95    HB   THR  12           HB       THR  12   0.894  -0.251  -5.880
   96    HG1  THR  12           HG1      THR  12  -1.703  -0.537  -6.143
   97   HG21  THR  12          1HG2      THR  12  -0.679  -2.519  -7.099
   98   HG22  THR  12          2HG2      THR  12   1.001  -2.120  -7.453
   99   HG23  THR  12          3HG2      THR  12  -0.284  -0.993  -7.891
  100    H    CYS  13           H        CYS  13   3.141  -1.804  -4.334
  101    HA   CYS  13           HA       CYS  13   2.942  -0.777  -1.654
  102    HB2  CYS  13           1HB      CYS  13   5.412  -0.953  -3.389
  103    HB3  CYS  13           2HB      CYS  13   5.346  -0.818  -1.637
  104    HG   CYS  13           HG       CYS  13   6.144  -3.417  -2.456
  105    H    LYS  14           H        LYS  14   2.757   1.265  -1.104
  106    HA   LYS  14           HA       LYS  14   3.865   3.348  -2.802
  107    HB2  LYS  14           1HB      LYS  14   1.748   4.644  -2.737
  108    HB3  LYS  14           2HB      LYS  14   1.628   3.166  -3.676
  109    HG2  LYS  14           1HG      LYS  14   0.532   2.072  -1.757
  110    HG3  LYS  14           2HG      LYS  14   0.593   3.604  -0.882
  111    HD2  LYS  14           1HD      LYS  14  -1.576   3.455  -1.816
  112    HD3  LYS  14           2HD      LYS  14  -0.686   4.617  -2.801
  113    HE2  LYS  14           1HE      LYS  14  -1.884   3.219  -4.299
  114    HE3  LYS  14           2HE      LYS  14  -0.196   2.723  -4.388
  115    HZ1  LYS  14           3HZ      LYS  14  -1.605   0.797  -4.285
  116    HZ2  LYS  14           1HZ      LYS  14  -2.362   1.364  -2.875
  117    HZ3  LYS  14           2HZ      LYS  14  -0.729   0.904  -2.844
  118    H    ASN  15           H        ASN  15   3.537   5.550  -1.634
  119    HA   ASN  15           HA       ASN  15   4.553   5.153   1.029
  120    HB2  ASN  15           1HB      ASN  15   4.172   7.554  -0.737
  121    HB3  ASN  15           2HB      ASN  15   4.663   7.720   0.941
  122   HD21  ASN  15          1HD2      ASN  15   6.699   7.005   1.566
  123   HD22  ASN  15          2HD2      ASN  15   7.945   6.655   0.419
  124    H    ASN  16           H        ASN  16   1.726   6.694  -0.450
  125    HA   ASN  16           HA       ASN  16   0.412   6.549   2.179
  126    HB2  ASN  16           1HB      ASN  16  -0.959   8.567   1.371
  127    HB3  ASN  16           2HB      ASN  16   0.684   8.863   1.909
  128   HD21  ASN  16          1HD2      ASN  16  -0.263   7.536  -1.236
  129   HD22  ASN  16          2HD2      ASN  16   0.314   8.882  -2.159
  130    H    CYS  17           H        CYS  17  -1.637   5.732   2.231
  131    HA   CYS  17           HA       CYS  17  -2.237   3.949   0.093
  132    HB2  CYS  17           1HB      CYS  17  -3.978   4.620   2.471
  133    HB3  CYS  17           2HB      CYS  17  -4.031   3.163   1.491
  134    HG   CYS  17           HG       CYS  17  -1.292   2.526   2.299
  135    H    GLY  18           H        GLY  18  -3.872   3.953  -1.367
  136    HA2  GLY  18           1HA      GLY  18  -4.974   6.574  -1.997
  137    HA3  GLY  18           2HA      GLY  18  -5.003   5.150  -3.026
  138    H    LYS  19           H        LYS  19  -7.215   5.680  -3.438
  139    HA   LYS  19           HA       LYS  19  -9.204   5.974  -1.537
  140    HB2  LYS  19           1HB      LYS  19 -10.796   5.609  -3.268
  141    HB3  LYS  19           2HB      LYS  19  -9.426   6.417  -4.005
  142    HG2  LYS  19           1HG      LYS  19  -9.921   3.449  -4.150
  143    HG3  LYS  19           2HG      LYS  19 -10.424   4.605  -5.381
  144    HD2  LYS  19           1HD      LYS  19  -7.565   4.242  -4.497
  145    HD3  LYS  19           2HD      LYS  19  -8.281   3.385  -5.860
  146    HE2  LYS  19           1HE      LYS  19  -8.068   6.383  -5.581
  147    HE3  LYS  19           2HE      LYS  19  -7.023   5.370  -6.574
  148    HZ1  LYS  19           3HZ      LYS  19  -8.731   6.385  -7.912
  149    HZ2  LYS  19           1HZ      LYS  19  -9.949   5.740  -6.930
  150    HZ3  LYS  19           2HZ      LYS  19  -8.980   4.713  -7.861
  151    H    ASN  20           H        ASN  20 -10.011   4.690  -0.075
  152    HA   ASN  20           HA       ASN  20 -10.671   2.849   1.082
  153    HB2  ASN  20           1HB      ASN  20 -11.205   1.926  -1.744
  154    HB3  ASN  20           2HB      ASN  20 -11.724   1.030  -0.321
  155   HD21  ASN  20          1HD2      ASN  20 -13.399   1.802   0.909
  156   HD22  ASN  20          2HD2      ASN  20 -14.428   3.090   0.391
  157    H    GLU  21           H        GLU  21  -7.933   2.923   0.935
  158    HA   GLU  21           HA       GLU  21  -7.222   0.132   0.343
  159    HB2  GLU  21           1HB      GLU  21  -5.538   2.627   0.398
  160    HB3  GLU  21           2HB      GLU  21  -4.825   1.021   0.408
  161    HG2  GLU  21           1HG      GLU  21  -6.343   0.683  -1.697
  162    HG3  GLU  21           2HG      GLU  21  -6.297   2.441  -1.754
  163    H    GLU  22           H        GLU  22  -5.692  -0.913   1.717
  164    HA   GLU  22           HA       GLU  22  -5.704   0.043   4.505
  165    HB2  GLU  22           1HB      GLU  22  -5.949  -2.250   5.262
  166    HB3  GLU  22           2HB      GLU  22  -7.270  -1.866   4.166
  167    HG2  GLU  22           1HG      GLU  22  -6.252  -3.096   2.392
  168    HG3  GLU  22           2HG      GLU  22  -4.773  -3.310   3.322
  169    H    LEU  23           H        LEU  23  -3.886  -0.839   5.794
  170    HA   LEU  23           HA       LEU  23  -1.476  -1.087   4.151
  171    HB2  LEU  23           1HB      LEU  23  -1.941   0.401   6.371
  172    HB3  LEU  23           2HB      LEU  23  -1.267  -1.045   7.098
  173    HG   LEU  23           HG       LEU  23   0.791  -0.794   5.850
  174   HD11  LEU  23          1HD1      LEU  23   0.934   1.425   4.499
  175   HD12  LEU  23          2HD1      LEU  23  -0.814   1.230   4.370
  176   HD13  LEU  23          3HD1      LEU  23   0.266  -0.031   3.764
  177   HD21  LEU  23          3HD2      LEU  23   0.600   0.491   7.918
  178   HD22  LEU  23          1HD2      LEU  23  -0.089   1.843   7.020
  179   HD23  LEU  23          2HD2      LEU  23   1.576   1.344   6.721
  180    H    ILE  24           H        ILE  24  -0.627  -3.028   3.781
  181    HA   ILE  24           HA       ILE  24  -1.651  -5.258   5.415
  182    HB   ILE  24           HB       ILE  24  -1.814  -6.619   3.535
  183   HG12  ILE  24          1HG1      ILE  24  -0.623  -4.960   1.475
  184   HG13  ILE  24          2HG1      ILE  24   0.547  -5.367   2.727
  185   HG21  ILE  24          1HG2      ILE  24  -3.099  -5.368   1.943
  186   HG22  ILE  24          2HG2      ILE  24  -2.350  -3.861   2.465
  187   HG23  ILE  24          3HG2      ILE  24  -3.421  -4.741   3.558
  188   HD11  ILE  24          3HD1      ILE  24   0.635  -7.002   0.977
  189   HD12  ILE  24          1HD1      ILE  24  -1.098  -7.295   1.119
  190   HD13  ILE  24          2HD1      ILE  24  -0.021  -7.735   2.441
  191    H    ALA  25           H        ALA  25   1.222  -3.699   4.291
  192    HA   ALA  25           HA       ALA  25   2.919  -5.322   5.876
  193    HB1  ALA  25           3HB      ALA  25   2.449  -6.965   4.089
  194    HB2  ALA  25           1HB      ALA  25   4.152  -6.519   4.182
  195    HB3  ALA  25           2HB      ALA  25   3.133  -5.843   2.912
  196    H    LEU  26           H        LEU  26   5.193  -4.919   5.458
  197    HA   LEU  26           HA       LEU  26   5.633  -2.166   4.571
  198    HB2  LEU  26           1HB      LEU  26   7.087  -4.027   6.425
  199    HB3  LEU  26           2HB      LEU  26   7.813  -2.530   5.861
  200    HG   LEU  26           HG       LEU  26   5.270  -2.757   7.476
  201   HD11  LEU  26          1HD1      LEU  26   7.251  -3.337   8.764
  202   HD12  LEU  26          2HD1      LEU  26   6.594  -1.784   9.279
  203   HD13  LEU  26          3HD1      LEU  26   8.031  -1.840   8.257
  204   HD21  LEU  26          3HD2      LEU  26   5.206  -0.821   6.025
  205   HD22  LEU  26          1HD2      LEU  26   6.826  -0.350   6.539
  206   HD23  LEU  26          2HD2      LEU  26   5.490  -0.311   7.689
  207    H    CYS  27           H        CYS  27   6.747  -1.816   2.759
  208    HA   CYS  27           HA       CYS  27   7.930  -4.127   1.402
  209    HB2  CYS  27           1HB      CYS  27   6.248  -2.682   0.213
  210    HB3  CYS  27           2HB      CYS  27   7.378  -1.348   0.343
  211    HG   CYS  27           HG       CYS  27   8.332  -4.218  -1.228
  212    H    GLN  28           H        GLN  28  10.013  -3.860   0.337
  213    HA   GLN  28           HA       GLN  28  11.979  -2.495   1.849
  214    HB2  GLN  28           1HB      GLN  28  12.257  -3.348  -1.026
  215    HB3  GLN  28           2HB      GLN  28  13.537  -3.139   0.152
  216    HG2  GLN  28           1HG      GLN  28  12.728  -5.051   1.408
  217    HG3  GLN  28           2HG      GLN  28  11.401  -5.254   0.266
  218   HE21  GLN  28          1HE2      GLN  28  11.841  -5.995  -1.813
  219   HE22  GLN  28          2HE2      GLN  28  13.316  -6.814  -2.196
  220    H    LYS  29           H        LYS  29  13.421  -0.817   0.797
  221    HA   LYS  29           HA       LYS  29  13.690   1.329   0.070
  222    HB2  LYS  29           1HB      LYS  29  11.195   0.899  -1.573
  223    HB3  LYS  29           2HB      LYS  29  12.396   2.158  -1.806
  224    HG2  LYS  29           1HG      LYS  29  14.018   0.571  -2.542
  225    HG3  LYS  29           2HG      LYS  29  12.976  -0.780  -2.087
  226    HD2  LYS  29           1HD      LYS  29  12.340   1.270  -4.209
  227    HD3  LYS  29           2HD      LYS  29  12.968  -0.348  -4.519
  228    HE2  LYS  29           1HE      LYS  29  10.331   0.317  -3.197
  229    HE3  LYS  29           2HE      LYS  29  10.548  -0.254  -4.850
  230    HZ1  LYS  29           3HZ      LYS  29  11.099  -1.751  -2.351
  231    HZ2  LYS  29           1HZ      LYS  29  11.558  -2.297  -3.887
  232    HZ3  LYS  29           2HZ      LYS  29   9.922  -2.092  -3.514
  233    H    SER  30           H        SER  30  11.482   0.270   2.048
  234    HA   SER  30           HA       SER  30  10.368   1.207   3.771
  235    HB2  SER  30           1HB      SER  30  11.160   3.881   2.605
  236    HB3  SER  30           2HB      SER  30  10.550   3.587   4.235
  237    HG   SER  30           HG       SER  30  12.553   1.948   3.963
  238    H    LEU  31           H        LEU  31   9.241   0.943   0.857
  239    HA   LEU  31           HA       LEU  31   6.974   2.685   0.903
  240    HB2  LEU  31           1HB      LEU  31   7.699   0.238  -0.697
  241    HB3  LEU  31           2HB      LEU  31   6.106   0.951  -0.803
  242    HG   LEU  31           HG       LEU  31   7.770   1.598  -2.595
  243   HD11  LEU  31          1HD1      LEU  31   6.459   3.788  -0.991
  244   HD12  LEU  31          2HD1      LEU  31   5.692   2.804  -2.237
  245   HD13  LEU  31          3HD1      LEU  31   6.989   3.918  -2.668
  246   HD21  LEU  31          3HD2      LEU  31   9.696   1.968  -1.113
  247   HD22  LEU  31          1HD2      LEU  31   8.874   3.368  -0.432
  248   HD23  LEU  31          2HD2      LEU  31   9.340   3.359  -2.133
  249    H    LYS  32           H        LYS  32   4.726   1.870   1.018
  250    HA   LYS  32           HA       LYS  32   4.457  -0.290   3.009
  251    HB2  LYS  32           1HB      LYS  32   3.275   2.393   2.827
  252    HB3  LYS  32           2HB      LYS  32   2.116   1.117   3.146
  253    HG2  LYS  32           1HG      LYS  32   2.865   2.087   5.211
  254    HG3  LYS  32           2HG      LYS  32   3.422   0.416   5.100
  255    HD2  LYS  32           1HD      LYS  32   5.217   1.766   5.959
  256    HD3  LYS  32           2HD      LYS  32   5.630   1.303   4.307
  257    HE2  LYS  32           1HE      LYS  32   4.938   3.473   3.490
  258    HE3  LYS  32           2HE      LYS  32   4.395   3.936   5.102
  259    HZ1  LYS  32           3HZ      LYS  32   6.700   3.733   5.863
  260    HZ2  LYS  32           1HZ      LYS  32   6.534   4.892   4.641
  261    HZ3  LYS  32           2HZ      LYS  32   7.195   3.375   4.283
  262    H    CYS  33           H        CYS  33   3.167  -1.989   2.494
  263    HA   CYS  33           HA       CYS  33   2.143  -2.140  -0.183
  264    HB2  CYS  33           1HB      CYS  33   1.897  -4.062   2.134
  265    HB3  CYS  33           2HB      CYS  33   1.479  -4.412   0.463
  266    HG   CYS  33           HG       CYS  33   4.146  -4.029  -0.451
  267    H    CYS  34           H        CYS  34   0.287  -1.257  -0.734
  268    HA   CYS  34           HA       CYS  34  -1.890  -1.218   1.249
  269    HB2  CYS  34           1HB      CYS  34  -1.458   0.767  -0.990
  270    HB3  CYS  34           2HB      CYS  34  -2.642   0.870   0.308
  271    HG   CYS  34           HG       CYS  34   0.734   0.966   0.860
  272    H    ARG  35           H        ARG  35  -3.766  -2.130   0.660
  273    HA   ARG  35           HA       ARG  35  -4.024  -3.032  -2.138
  274    HB2  ARG  35           1HB      ARG  35  -5.217  -4.251   0.359
  275    HB3  ARG  35           2HB      ARG  35  -5.447  -4.847  -1.277
  276    HG2  ARG  35           1HG      ARG  35  -3.101  -5.385  -1.450
  277    HG3  ARG  35           2HG      ARG  35  -2.802  -4.703   0.151
  278    HD2  ARG  35           1HD      ARG  35  -2.969  -7.011   0.539
  279    HD3  ARG  35           2HD      ARG  35  -4.553  -6.373   0.978
  280    HE   ARG  35           HE       ARG  35  -4.364  -7.268  -1.753
  281   HH11  ARG  35          1HH1      ARG  35  -5.105  -8.185   1.543
  282   HH12  ARG  35          2HH1      ARG  35  -6.083  -9.539   1.075
  283   HH21  ARG  35          1HH2      ARG  35  -5.637  -9.039  -2.370
  284   HH22  ARG  35          2HH2      ARG  35  -6.390 -10.024  -1.156
  285    H    THR  36           H        THR  36  -5.730  -2.367  -3.275
  286    HA   THR  36           HA       THR  36  -7.586  -0.505  -2.126
  287    HB   THR  36           HB       THR  36  -7.642  -1.717  -4.895
  288    HG1  THR  36           HG1      THR  36  -5.839  -0.048  -3.752
  289   HG21  THR  36          1HG2      THR  36  -8.821   0.359  -5.482
  290   HG22  THR  36          2HG2      THR  36  -8.754   0.871  -3.797
  291   HG23  THR  36          3HG2      THR  36  -9.696  -0.549  -4.248
  292    H    ILE  37           H        ILE  37  -9.202  -1.155  -0.928
  293    HA   ILE  37           HA       ILE  37 -10.274  -3.784  -0.952
  294    HB   ILE  37           HB       ILE  37 -11.443  -1.268   0.236
  295   HG12  ILE  37          1HG1      ILE  37  -9.166  -1.612   1.024
  296   HG13  ILE  37          2HG1      ILE  37 -10.306  -1.971   2.309
  297   HG21  ILE  37          1HG2      ILE  37 -12.591  -2.789   1.764
  298   HG22  ILE  37          2HG2      ILE  37 -11.906  -4.168   0.905
  299   HG23  ILE  37          3HG2      ILE  37 -13.040  -3.094   0.086
  300   HD11  ILE  37          3HD1      ILE  37  -8.955  -4.020   0.578
  301   HD12  ILE  37          1HD1      ILE  37 -10.015  -4.335   1.947
  302   HD13  ILE  37          2HD1      ILE  37  -8.452  -3.565   2.207
  303    H    GLN  38           H        GLN  38 -11.733  -4.610  -2.267
  304    HA   GLN  38           HA       GLN  38 -13.323  -2.799  -3.944
  305    HB2  GLN  38           1HB      GLN  38 -12.759  -5.747  -4.304
  306    HB3  GLN  38           2HB      GLN  38 -13.624  -4.715  -5.433
  307    HG2  GLN  38           1HG      GLN  38 -11.581  -3.387  -5.751
  308    HG3  GLN  38           2HG      GLN  38 -10.725  -4.484  -4.668
  309   HE21  GLN  38          1HE2      GLN  38 -10.275  -6.575  -5.343
  310   HE22  GLN  38          2HE2      GLN  38 -10.339  -7.033  -7.011
  311    HA   PRO  39           HA       PRO  39 -16.931  -3.981  -1.546
  312    HB2  PRO  39           1HB      PRO  39 -18.383  -3.018  -3.935
  313    HB3  PRO  39           2HB      PRO  39 -18.506  -2.481  -2.257
  314    HG2  PRO  39           1HG      PRO  39 -17.329  -0.968  -4.125
  315    HG3  PRO  39           2HG      PRO  39 -16.737  -1.015  -2.455
  316    HD2  PRO  39           1HD      PRO  39 -15.645  -2.358  -4.893
  317    HD3  PRO  39           2HD      PRO  39 -14.783  -1.590  -3.545
  318    H    SER  40           H        SER  40 -17.774  -5.964  -1.460
  319    HA   SER  40           HA       SER  40 -18.753  -7.937  -2.069
  320    HB2  SER  40           1HB      SER  40 -20.033  -6.566  -3.738
  321    HB3  SER  40           2HB      SER  40 -18.745  -6.887  -4.900
  322    HG   SER  40           HG       SER  40 -20.326  -8.865  -3.606
  323    H    GLY  41           H        GLY  41 -15.835  -6.865  -2.801
  324    HA2  GLY  41           1HA      GLY  41 -14.761  -8.902  -4.477
  325    HA3  GLY  41           2HA      GLY  41 -13.842  -7.805  -3.460
  326    H    SER  42           H        SER  42 -12.752 -10.139  -3.523
  327    HA   SER  42           HA       SER  42 -13.904 -12.086  -1.770
  328    HB2  SER  42           1HB      SER  42 -11.085 -11.918  -2.856
  329    HB3  SER  42           2HB      SER  42 -11.866 -13.347  -2.181
  330    HG   SER  42           HG       SER  42 -13.509 -12.636  -3.996
  331    H    ILE  43           H        ILE  43 -13.182 -12.730   0.254
  332    HA   ILE  43           HA       ILE  43 -12.186 -12.671   2.292
  333    HB   ILE  43           HB       ILE  43 -10.372 -10.564   1.104
  334   HG12  ILE  43          1HG1      ILE  43 -10.121 -12.775   0.071
  335   HG13  ILE  43          2HG1      ILE  43  -8.712 -12.382   1.046
  336   HG21  ILE  43          1HG2      ILE  43 -10.143 -12.031   3.732
  337   HG22  ILE  43          2HG2      ILE  43 -10.531 -10.323   3.526
  338   HG23  ILE  43          3HG2      ILE  43  -8.944 -10.928   3.054
  339   HD11  ILE  43          3HD1      ILE  43  -9.594 -13.803   2.849
  340   HD12  ILE  43          1HD1      ILE  43  -9.318 -14.690   1.352
  341   HD13  ILE  43          2HD1      ILE  43 -10.955 -14.232   1.814
  342    H    ILE  44           H        ILE  44 -12.139  -9.287   1.168
  343    HA   ILE  44           HA       ILE  44 -13.713  -8.611   3.551
  344    HB   ILE  44           HB       ILE  44 -11.659  -7.391   3.513
  345   HG12  ILE  44          1HG1      ILE  44 -13.769  -5.458   2.545
  346   HG13  ILE  44          2HG1      ILE  44 -13.796  -6.193   4.143
  347   HG21  ILE  44          1HG2      ILE  44 -11.134  -7.630   1.141
  348   HG22  ILE  44          2HG2      ILE  44 -10.952  -5.961   1.680
  349   HG23  ILE  44          3HG2      ILE  44 -12.369  -6.432   0.747
  350   HD11  ILE  44          3HD1      ILE  44 -12.863  -3.986   4.283
  351   HD12  ILE  44          1HD1      ILE  44 -11.672  -4.364   3.039
  352   HD13  ILE  44          2HD1      ILE  44 -11.597  -5.170   4.607
  353    H    ASP  45           H        ASP  45 -15.754  -8.884   3.014
  354    HA   ASP  45           HA       ASP  45 -16.777  -8.538   0.378
  355    HB2  ASP  45           1HB      ASP  45 -18.230  -8.950   3.000
  356    HB3  ASP  45           2HB      ASP  45 -18.968  -9.052   1.408