*HEADER    DNA BINDING PROTEIN                     15-APR-10   2KWQ              
*TITLE     MCM10 C-TERMINAL DNA BINDING DOMAIN                                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PROTEIN MCM10 HOMOLOG;                                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: C-TERMINAL DNA BINDING DOMAIN (UNP RESIDUES 755-842);      
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: XENOPUS LAEVIS;                                 
*SOURCE   3 ORGANISM_COMMON: CLAWED FROG;                                        
*SOURCE   4 ORGANISM_TAXID: 8355;                                                
*SOURCE   5 GENE: MCM10;                                                         
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET32A-PPS                                 
*KEYWDS    MCM10, DNA REPLICATION, DNA BINDING, ZINC MOTIF, ZINC RIBBON, DNA     
*KEYWDS   2 BINDING PROTEIN                                                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    P.D.ROBERTSON, B.CHAGOT, W.J.CHAZIN, B.F.EICHMAN                      
*REVDAT   1   19-MAY-10 2KWQ    0                                                


#
#  48 PHE  H      48 PHE  QD     3.93             (#peak     2 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 2, nxpk= 0, iat= 755,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr2= 763, 771,
 &end
#
#  47 ARG  HA     48 PHE  H      3.45             (#peak     4 #SUP  0.92  #QF  0.92;)
 &rst
  ixpk= 4, nxpk= 0, iat= 733, 755, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
#  48 PHE  H      48 PHE  QB     3.72             (#peak     5 #SUP  1.00;)
 &rst
  ixpk= 5, nxpk= 0, iat= 755,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2= 759, 760,
 &end
#
#  47 ARG  HB3    48 PHE  H      4.11             (#peak     7 #SUP  0.91  #QF  0.91;)
 &rst
  ixpk= 7, nxpk= 0, iat= 736, 755, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  23 TYR  H      24 THR  H      4.92             (#peak     9 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 9, nxpk= 0, iat= 339, 360, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  22 LYS  H      23 TYR  H      3.44             (#peak    10 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 10, nxpk= 0, iat= 317, 339, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#  18 CYZN  H      23 TYR  H      4.10             (#peak    11 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 11, nxpk= 0, iat= 261, 339, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  17 THR  HA     23 TYR  H      5.00             (#peak    14 #SUP  0.91  #QF  0.91;)
 &rst
  ixpk= 14, nxpk= 0, iat= 249, 339, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  22 LYS  HA     23 TYR  H      3.30             (#peak    17 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 17, nxpk= 0, iat= 319, 339, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  18 CYZN  HB2    23 TYR  H      5.69             (#peak    20 #SUP  1.00;)
 &rst
  ixpk= 20, nxpk= 0, iat= 266, 339, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,  &end
#
#  18 CYZN  HB3    23 TYR  H      4.31             (#peak    21 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 21, nxpk= 0, iat= 265, 339, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#  17 THR  QG2    23 TYR  H      4.19             (#peak    24 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 24, nxpk= 0, iat=  -1, 339, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 253, 254, 255,
 &end
#
#  16 VAL  H      25 HIS  H      4.08             (#peak    26 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 26, nxpk= 0, iat= 231, 374, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  18 CYZN  H      25 HIS  H      5.96             (#peak    27 #SUP  1.00;)
 &rst
  ixpk= 27, nxpk= 0, iat= 261, 374, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,  &end
#
#  24 THR  HA     25 HIS  H      3.36             (#peak    30 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 30, nxpk= 0, iat= 362, 374, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
#  15 VAL  HA     25 HIS  H      6.00             (#peak    32 #SUP  1.00;)
 &rst
  ixpk= 32, nxpk= 0, iat= 217, 374, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  16 VAL  HA     25 HIS  H      6.16             (#peak    33 #SUP  0.95  #QF  0.85;)
 &rst
  ixpk= 33, nxpk= 0, iat= 233, 374, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  25 HIS  H      26 PHE  HA     6.16             (#peak    33 #SUP  0.95  #QF  0.85;)
 &rst
  ixpk= 33, nxpk= 0, iat= 374, 393, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  25 HIS  H      25 HIS  HB3    4.46             (#peak    34 #SUP  0.72  #QF  0.72;)
 &rst
  ixpk= 34, nxpk= 0, iat= 374, 379, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  25 HIS  H      25 HIS  HB2    4.18             (#peak    35 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 35, nxpk= 0, iat= 374, 378, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  15 VAL  HB     25 HIS  H      4.64             (#peak    36 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 36, nxpk= 0, iat= 219, 374, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#  24 THR  QG2    25 HIS  H      3.65             (#peak    37 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 37, nxpk= 0, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 366, 367, 368,
 &end
#
#  16 VAL  QG1    25 HIS  H      3.99             (#peak    40 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 40, nxpk= 0, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 237, 238, 239,
 &end
#
#  29 LYS  HA     30 GLU  H      3.14             (#peak    45 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 45, nxpk= 0, iat= 449, 469, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
#  30 GLU  H      30 GLU  QG     3.60             (#peak    47 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 47, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 476, 477,
 &end
#
#  29 LYS  QD     30 GLU  H      5.85             (#peak    49 #SUP  0.92  #QF  0.92;)
 &rst
  ixpk= 49, nxpk= 0, iat=  -1, 469, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr1= 457, 458,
 &end
#
#  29 LYS  HG3    30 GLU  H      4.80             (#peak    50 #SUP  1.00;)
 &rst
  ixpk= 50, nxpk= 0, iat= 455, 469, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  30 GLU  H      31 THR  H      4.00             (#peak    53 #SUP  1.00;)
 &rst
  ixpk= 53, nxpk= 0, iat= 469, 484, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  31 THR  H      33 VAL  H      5.21             (#peak    55 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 55, nxpk= 0, iat= 484, 508, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#  31 THR  H      32 CYZN  HA     6.16             (#peak    59 #SUP  0.99  #QF  0.67;)
 &rst
  ixpk= 59, nxpk= 0, iat= 484, 500, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  29 LYS  HB2    31 THR  H      4.09             (#peak    60 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 60, nxpk= 0, iat= 451, 484, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#  29 LYS  HB3    31 THR  H      4.09             (#peak    61 #SUP  0.80  #QF  0.80;)
 &rst
  ixpk= 61, nxpk= 0, iat= 452, 484, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#  29 LYS  QD     31 THR  H      5.57             (#peak    62 #SUP  0.90  #QF  0.90;)
 &rst
  ixpk= 62, nxpk= 0, iat=  -1, 484, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 457, 458,
 &end
#
#  30 GLU  H      32 CYZN  H      5.05             (#peak    66 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 66, nxpk= 0, iat= 469, 498, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#  32 CYZN  H      34 SER  H      4.45             (#peak    67 #SUP  1.00;)
 &rst
  ixpk= 67, nxpk= 0, iat= 498, 524, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#  31 THR  H      32 CYZN  H      3.82             (#peak    68 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 68, nxpk= 0, iat= 484, 498, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#  32 CYZN  H      33 VAL  H      3.39             (#peak    70 #SUP  1.00;)
 &rst
  ixpk= 70, nxpk= 0, iat= 498, 508, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#  28 PRO  HA     32 CYZN  H      6.16             (#peak    72 #SUP  0.81  #QF  0.81;)
 &rst
  ixpk= 72, nxpk= 0, iat= 443, 498, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  30 GLU  HA     32 CYZN  H      4.41             (#peak    73 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 73, nxpk= 0, iat= 471, 498, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#  32 CYZN  H      32 CYZN  HB3    4.20             (#peak    75 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 75, nxpk= 0, iat= 498, 502, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  29 LYS  HB2    32 CYZN  H      4.36             (#peak    77 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 77, nxpk= 0, iat= 451, 498, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#  29 LYS  QD     32 CYZN  H      6.16             (#peak    79 #SUP  0.93  #QF  0.25;)
 &rst
  ixpk= 79, nxpk= 0, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1= 457, 458,
 &end
#
#  32 CYZN  H      35 GLU  HB2    6.16             (#peak    79 #SUP  0.93  #QF  0.25;)
 &rst
  ixpk= 79, nxpk= 0, iat= 498, 539, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  31 THR  QG2    32 CYZN  H      5.08             (#peak    80 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 80, nxpk= 0, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 490, 491, 492,
 &end
#
#  33 VAL  H      35 GLU  H      4.87             (#peak    84 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 84, nxpk= 0, iat= 508, 535, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#  32 CYZN  HB3    33 VAL  H      4.00             (#peak    88 #SUP  1.00;)
 &rst
  ixpk= 88, nxpk= 0, iat= 502, 508, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  29 LYS  HB2    33 VAL  H      6.16             (#peak    90 #SUP  0.85  #QF  0.85;)
 &rst
  ixpk= 90, nxpk= 0, iat= 451, 508, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  33 VAL  H      33 VAL  HB     3.40             (#peak    91 #SUP  1.00;)
 &rst
  ixpk= 91, nxpk= 0, iat= 508, 512, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#  29 LYS  HB3    33 VAL  H      6.16             (#peak    92 #SUP  0.99  #QF  0.93;)
 &rst
  ixpk= 92, nxpk= 0, iat= 452, 508, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  30 GLU  QB     33 VAL  H      6.16             (#peak    92 #SUP  0.99  #QF  0.93;)
 &rst
  ixpk= 92, nxpk= 0, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1= 473, 474,
 &end
#
#  28 PRO  HB2    33 VAL  H      5.07             (#peak    93 #SUP  1.00;)
 &rst
  ixpk= 93, nxpk= 0, iat= 440, 508, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  28 PRO  HB3    33 VAL  H      5.70             (#peak    94 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 94, nxpk= 0, iat= 441, 508, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  33 VAL  H      34 SER  H      3.39             (#peak    98 #SUP  1.00;)
 &rst
  ixpk= 98, nxpk= 0, iat= 508, 524, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#  34 SER  H      34 SER  HB3    3.34             (#peak   101 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 101, nxpk= 0, iat= 524, 529, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#  32 CYZN  HB3    34 SER  H      6.14             (#peak   102 #SUP  0.89  #QF  0.89;)
 &rst
  ixpk= 102, nxpk= 0, iat= 502, 524, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,  &end
#
#  34 SER  H      35 GLU  HB2    5.51             (#peak   105 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 105, nxpk= 0, iat= 524, 539, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,  &end
#
#  31 THR  QG2    34 SER  H      5.91             (#peak   106 #SUP  0.84  #QF  0.84;)
 &rst
  ixpk= 106, nxpk= 0, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr1= 490, 491, 492,
 &end
#
#  33 VAL  QG2    34 SER  H      4.41             (#peak   107 #SUP  1.00;)
 &rst
  ixpk= 107, nxpk= 0, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 518, 519, 520,
 &end
#
#  34 SER  H      35 GLU  H      3.58             (#peak   109 #SUP  1.00;)
 &rst
  ixpk= 109, nxpk= 0, iat= 524, 535, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#  35 GLU  H      36 ASN  HA     5.41             (#peak   113 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 113, nxpk= 0, iat= 535, 552, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
#  34 SER  HB3    35 GLU  H      4.04             (#peak   116 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 116, nxpk= 0, iat= 529, 535, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  32 CYZN  HB2    35 GLU  H      6.16             (#peak   117 #SUP  0.82  #QF  0.82;)
 &rst
  ixpk= 117, nxpk= 0, iat= 503, 535, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  35 GLU  H      35 GLU  HB2    3.63             (#peak   121 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 121, nxpk= 0, iat= 535, 539, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#  33 VAL  H      36 ASN  H      6.16             (#peak   125 #SUP  1.00  #QF  0.99;)
 &rst
  ixpk= 125, nxpk= 0, iat= 508, 550, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  36 ASN  H      39 PHE  HZ     6.16             (#peak   125 #SUP  1.00  #QF  0.99;)
 &rst
  ixpk= 125, nxpk= 0, iat= 550, 606, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  36 ASN  H      37 HIZ+  HD2    5.24             (#peak   126 #SUP  0.82  #QF  0.82;)
 &rst
  ixpk= 126, nxpk= 0, iat= 550, 575, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#  36 ASN  H      36 ASN  HA     2.93             (#peak   127 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 127, nxpk= 0, iat= 550, 552, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,  &end
#
#  36 ASN  H      36 ASN  HB2    3.86             (#peak   132 #SUP  0.88  #QF  0.88;)
 &rst
  ixpk= 132, nxpk= 0, iat= 550, 554, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  32 CYZN  HA     36 ASN  H      5.80             (#peak   133 #SUP  0.88  #QF  0.88;)
 &rst
  ixpk= 133, nxpk= 0, iat= 500, 550, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  35 GLU  HB2    36 ASN  H      4.68             (#peak   135 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 135, nxpk= 0, iat= 539, 550, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#  33 VAL  QG1    36 ASN  H      6.16             (#peak   137 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 137, nxpk= 0, iat=  -1, 550, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
 igr1= 514, 515, 516,
 &end
#
#  36 ASN  H      37 HIZ+  H      3.47             (#peak   139 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 139, nxpk= 0, iat= 550, 564, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
#  37 HIZ+  H      39 PHE  HZ     5.07             (#peak   141 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 141, nxpk= 0, iat= 564, 606, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  36 ASN  HA     37 HIZ+  H      3.51             (#peak   142 #SUP  0.98  #QF  0.86;)
 &rst
  ixpk= 142, nxpk= 0, iat= 552, 564, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#  33 VAL  HA     37 HIZ+  H      4.79             (#peak   143 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 143, nxpk= 0, iat= 510, 564, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#  37 HIZ+  H      37 HIZ+  HB3    4.05             (#peak   144 #SUP  1.00;)
 &rst
  ixpk= 144, nxpk= 0, iat= 564, 569, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  37 HIZ+  H      37 HIZ+  HB2    3.45             (#peak   145 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 145, nxpk= 0, iat= 564, 568, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
#  35 GLU  HB3    37 HIZ+  H      4.92             (#peak   146 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 146, nxpk= 0, iat= 540, 564, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  20 THR  H      38 ASP  H      4.68             (#peak   149 #SUP  1.00;)
 &rst
  ixpk= 149, nxpk= 0, iat= 293, 582, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#  38 ASP  H      39 PHE  QD     4.70             (#peak   151 #SUP  0.89  #QF  0.89;)
 &rst
  ixpk= 151, nxpk= 0, iat= 582,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 602, 610,
 &end
#
#  37 HIZ+  HA     38 ASP  H      3.40             (#peak   152 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 152, nxpk= 0, iat= 566, 582, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#  20 THR  HA     38 ASP  H      6.16             (#peak   153 #SUP  0.92  #QF  0.92;)
 &rst
  ixpk= 153, nxpk= 0, iat= 295, 582, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  37 HIZ+  HB3    38 ASP  H      3.65             (#peak   154 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 154, nxpk= 0, iat= 569, 582, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#  38 ASP  H      38 ASP  HB2    3.66             (#peak   155 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 155, nxpk= 0, iat= 582, 586, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#  38 ASP  H      38 ASP  HB3    4.18             (#peak   156 #SUP  1.00;)
 &rst
  ixpk= 156, nxpk= 0, iat= 582, 587, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  19 LYS  HB2    38 ASP  H      5.45             (#peak   157 #SUP  0.82  #QF  0.82;)
 &rst
  ixpk= 157, nxpk= 0, iat= 275, 582, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#  20 THR  QG2    38 ASP  H      5.05             (#peak   158 #SUP  1.00;)
 &rst
  ixpk= 158, nxpk= 0, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 299, 300, 301,
 &end
#
#  19 LYS  H      39 PHE  H      5.30             (#peak   159 #SUP  0.80  #QF  0.80;)
 &rst
  ixpk= 159, nxpk= 0, iat= 271, 594, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  39 PHE  H      39 PHE  HB3    4.26             (#peak   165 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 165, nxpk= 0, iat= 594, 599, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  38 ASP  HB3    39 PHE  H      4.54             (#peak   166 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 166, nxpk= 0, iat= 587, 594, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  40 HIS  HA     41 TRP  H      3.19             (#peak   172 #SUP  0.85  #QF  0.85;)
 &rst
  ixpk= 172, nxpk= 0, iat= 616, 631, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
#  16 VAL  HA     41 TRP  H      5.47             (#peak   173 #SUP  0.82  #QF  0.82;)
 &rst
  ixpk= 173, nxpk= 0, iat= 233, 631, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#  41 TRP  H      41 TRP  QB     3.38             (#peak   174 #SUP  0.92  #QF  0.92;)
 &rst
  ixpk= 174, nxpk= 0, iat= 631,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2= 635, 636,
 &end
#
#  15 VAL  H      42 HIS  H      4.11             (#peak   176 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 176, nxpk= 0, iat= 215, 655, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  17 THR  H      42 HIS  H      5.35             (#peak   177 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 177, nxpk= 0, iat= 247, 655, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#  41 TRP  HZ3    42 HIS  H      6.16             (#peak   179 #SUP  0.64  #QF  0.64;)
 &rst
  ixpk= 179, nxpk= 0, iat= 648, 655, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  41 TRP  HA     42 HIS  H      3.18             (#peak   181 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 181, nxpk= 0, iat= 633, 655, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
#  15 VAL  HA     42 HIS  H      5.63             (#peak   183 #SUP  0.92  #QF  0.92;)
 &rst
  ixpk= 183, nxpk= 0, iat= 217, 655, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,  &end
#
#  16 VAL  HA     42 HIS  H      4.05             (#peak   184 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 184, nxpk= 0, iat= 233, 655, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  41 TRP  QB     42 HIS  H      3.85             (#peak   186 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 186, nxpk= 0, iat=  -1, 655, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 635, 636,
 &end
#
#  14 ARG  QG     42 HIS  H      4.91             (#peak   187 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 187, nxpk= 0, iat=  -1, 655, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 198, 199,
 &end
#
#  15 VAL  QG2    42 HIS  H      4.14             (#peak   188 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 188, nxpk= 0, iat=  -1, 655, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1= 225, 226, 227,
 &end
#
#  16 VAL  QG2    42 HIS  H      5.44             (#peak   189 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 189, nxpk= 0, iat=  -1, 655, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 241, 242, 243,
 &end
#
#  42 HIS  QB     43 ASN  H      4.74             (#peak   192 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 192, nxpk= 0, iat=  -1, 672, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 659, 660,
 &end
#
#  43 ASN  H      43 ASN  HB3    4.60             (#peak   193 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 193, nxpk= 0, iat= 672, 677, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  13 CYS  H      44 GLY  H      4.18             (#peak   195 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 195, nxpk= 0, iat= 180, 686, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  43 ASN  HA     44 GLY  H      3.18             (#peak   196 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 196, nxpk= 0, iat= 674, 686, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
#  14 ARG  HA     44 GLY  H      4.01             (#peak   197 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 197, nxpk= 0, iat= 193, 686, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  15 VAL  HA     44 GLY  H      6.16             (#peak   198 #SUP  0.52  #QF  0.52;)
 &rst
  ixpk= 198, nxpk= 0, iat= 217, 686, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  43 ASN  HB3    44 GLY  H      3.89             (#peak   202 #SUP  0.86  #QF  0.86;)
 &rst
  ixpk= 202, nxpk= 0, iat= 677, 686, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  14 ARG  QG     44 GLY  H      6.16             (#peak   203 #SUP  1.00;)
 &rst
  ixpk= 203, nxpk= 0, iat=  -1, 686, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1= 198, 199,
 &end
#
#  15 VAL  QG1    44 GLY  H      4.40             (#peak   205 #SUP  1.00;)
 &rst
  ixpk= 205, nxpk= 0, iat=  -1, 686, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 221, 222, 223,
 &end
#
#  15 VAL  QG2    44 GLY  H      4.20             (#peak   206 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 206, nxpk= 0, iat=  -1, 686, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 225, 226, 227,
 &end
#
#  46 LYS  H      47 ARG  H      5.58             (#peak   208 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 208, nxpk= 0, iat= 709, 731, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,  &end
#
#  46 LYS  H      48 PHE  HZ     6.16             (#peak   209 #SUP  0.63  #QF  0.63;)
 &rst
  ixpk= 209, nxpk= 0, iat= 709, 767, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  12 SER  HA     46 LYS  H      5.24             (#peak   210 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 210, nxpk= 0, iat= 171, 709, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#  45 VAL  HA     46 LYS  H      3.17             (#peak   211 #SUP  0.92  #QF  0.92;)
 &rst
  ixpk= 211, nxpk= 0, iat= 695, 709, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
#  11 GLN  QG     46 LYS  H      5.52             (#peak   213 #SUP  0.84  #QF  0.84;)
 &rst
  ixpk= 213, nxpk= 0, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 159, 160,
 &end
#
#  10 GLU  QG     46 LYS  H      6.16             (#peak   214 #SUP  0.98  #QF  0.96;)
 &rst
  ixpk= 214, nxpk= 0, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1= 144, 145,
 &end
#
#  11 GLN  QB     46 LYS  H      6.16             (#peak   214 #SUP  0.98  #QF  0.96;)
 &rst
  ixpk= 214, nxpk= 0, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1= 156, 157,
 &end
#
#  46 LYS  H      46 LYS  QD     3.92             (#peak   216 #SUP  0.63  #QF  0.63;)
 &rst
  ixpk= 216, nxpk= 0, iat= 709,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 719, 720,
 &end
#
#  46 LYS  H      46 LYS  HG2    4.45             (#peak   217 #SUP  1.00;)
 &rst
  ixpk= 217, nxpk= 0, iat= 709, 716, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#  46 LYS  H      46 LYS  HG3    4.72             (#peak   218 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 218, nxpk= 0, iat= 709, 717, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  50 LYS  H      76 TRP  HA     4.70             (#peak   228 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 228, nxpk= 0, iat= 795,1205, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  49 PHE  HB3    50 LYS  H      4.02             (#peak   230 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 230, nxpk= 0, iat= 780, 795, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#  50 LYS  H      76 TRP  HB2    6.16             (#peak   231 #SUP  0.82  #QF  0.82;)
 &rst
  ixpk= 231, nxpk= 0, iat= 795,1207, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  50 LYS  H      50 LYS  QB     3.70             (#peak   232 #SUP  1.00;)
 &rst
  ixpk= 232, nxpk= 0, iat= 795,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2= 799, 800,
 &end
#
#  50 LYS  H      50 LYS  HG2    4.91             (#peak   234 #SUP  1.00;)
 &rst
  ixpk= 234, nxpk= 0, iat= 795, 802, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  51 CYZN  H      54 GLY  H      5.05             (#peak   238 #SUP  1.00;)
 &rst
  ixpk= 238, nxpk= 0, iat= 817, 852, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#  51 CYZN  H      76 TRP  HE3    4.74             (#peak   240 #SUP  0.92  #QF  0.88;)
 &rst
  ixpk= 240, nxpk= 0, iat= 817,1222, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#  50 LYS  HA     51 CYZN  H      3.44             (#peak   242 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 242, nxpk= 0, iat= 797, 817, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#  51 CYZN  H      51 CYZN  HB3    3.88             (#peak   244 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 244, nxpk= 0, iat= 817, 822, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#  51 CYZN  H      51 CYZN  HB2    3.98             (#peak   245 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 245, nxpk= 0, iat= 817, 821, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  50 LYS  HG3    51 CYZN  H      4.39             (#peak   247 #SUP  1.00;)
 &rst
  ixpk= 247, nxpk= 0, iat= 803, 817, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  50 LYS  HG2    51 CYZN  H      4.65             (#peak   248 #SUP  1.00;)
 &rst
  ixpk= 248, nxpk= 0, iat= 802, 817, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#  50 LYS  QE     54 GLY  H      4.73             (#peak   256 #SUP  0.87  #QF  0.87;)
 &rst
  ixpk= 256, nxpk= 0, iat=  -1, 852, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 808, 809,
 &end
#
#  51 CYZN  HB3    54 GLY  H      4.75             (#peak   257 #SUP  0.96  #QF  0.94;)
 &rst
  ixpk= 257, nxpk= 0, iat= 822, 852, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  50 LYS  HG2    54 GLY  H      6.16             (#peak   261 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 261, nxpk= 0, iat= 802, 852, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  54 GLY  H      55 ASN  H      3.38             (#peak   263 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 263, nxpk= 0, iat= 852, 859, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
#  50 LYS  HA     55 ASN  H      6.14             (#peak   266 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 266, nxpk= 0, iat= 797, 859, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,  &end
#
#  55 ASN  H      70 THR  HB     5.59             (#peak   269 #SUP  0.87  #QF  0.87;)
 &rst
  ixpk= 269, nxpk= 0, iat= 859,1115, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,  &end
#
#  53 CYZN  HB2    55 ASN  H      6.07             (#peak   271 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 271, nxpk= 0, iat= 847, 859, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,  &end
#
#  55 ASN  H      55 ASN  HB3    3.46             (#peak   272 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 272, nxpk= 0, iat= 859, 864, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#  55 ASN  H      55 ASN  HB2    3.42             (#peak   273 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 273, nxpk= 0, iat= 859, 863, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
#  51 CYZN  HB2    55 ASN  H      4.58             (#peak   274 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 274, nxpk= 0, iat= 821, 859, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  55 ASN  H      56 ARG  HG2    5.50             (#peak   275 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 275, nxpk= 0, iat= 859, 880, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  55 ASN  H      70 THR  QG2    5.15             (#peak   276 #SUP  1.00;)
 &rst
  ixpk= 276, nxpk= 0, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr2=1117,1118,1119,
 &end
#
#  51 CYZN  H      57 THR  H      5.44             (#peak   277 #SUP  0.84  #QF  0.84;)
 &rst
  ixpk= 277, nxpk= 0, iat= 817, 897, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
#  57 THR  H      76 TRP  HZ3    4.67             (#peak   280 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 280, nxpk= 0, iat= 897,1220, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  56 ARG  HA     57 THR  H      3.24             (#peak   281 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 281, nxpk= 0, iat= 875, 897, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
#  48 PHE  HA     57 THR  H      5.60             (#peak   282 #SUP  0.78  #QF  0.78;)
 &rst
  ixpk= 282, nxpk= 0, iat= 757, 897, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  57 THR  H      57 THR  HB     4.37             (#peak   283 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 283, nxpk= 0, iat= 897, 901, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#  56 ARG  QD     57 THR  H      4.88             (#peak   284 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 284, nxpk= 0, iat=  -1, 897, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 883, 884,
 &end
#
#  49 PHE  HB3    57 THR  H      5.78             (#peak   285 #SUP  1.00;)
 &rst
  ixpk= 285, nxpk= 0, iat= 780, 897, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
#  48 PHE  QB     57 THR  H      5.77             (#peak   286 #SUP  0.78  #QF  0.78;)
 &rst
  ixpk= 286, nxpk= 0, iat=  -1, 897, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 759, 760,
 &end
#
#  56 ARG  HB3    57 THR  H      3.77             (#peak   287 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 287, nxpk= 0, iat= 878, 897, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  57 THR  H      58 ILE  QD1    6.15             (#peak   289 #SUP  0.72  #QF  0.72;)
 &rst
  ixpk= 289, nxpk= 0, iat= 897,  -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
 igr2= 924, 925, 926,
 &end
#
#  57 THR  H      57 THR  QG2    3.67             (#peak   290 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 290, nxpk= 0, iat= 897,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 903, 904, 905,
 &end
#
#  49 PHE  H      59 SER  H      6.13             (#peak   292 #SUP  0.98  #QF  0.91;)
 &rst
  ixpk= 292, nxpk= 0, iat= 775, 930, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,  &end
#
#  59 SER  H      60 LEU  H      6.16             (#peak   292 #SUP  0.98  #QF  0.91;)
 &rst
  ixpk= 292, nxpk= 0, iat= 930, 941, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  47 ARG  H      59 SER  H      4.12             (#peak   293 #SUP  1.00;)
 &rst
  ixpk= 293, nxpk= 0, iat= 731, 930, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#  49 PHE  QE     59 SER  H      4.36             (#peak   295 #SUP  1.00;)
 &rst
  ixpk= 295, nxpk= 0, iat=  -1, 930, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 785, 789,
 &end
#
#  58 ILE  HA     59 SER  H      3.34             (#peak   297 #SUP  1.00;)
 &rst
  ixpk= 297, nxpk= 0, iat= 913, 930, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#  48 PHE  HA     59 SER  H      4.67             (#peak   298 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 298, nxpk= 0, iat= 757, 930, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  59 SER  H      59 SER  HB2    4.28             (#peak   300 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 300, nxpk= 0, iat= 930, 934, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  47 ARG  HB2    59 SER  H      5.12             (#peak   301 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 301, nxpk= 0, iat= 735, 930, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#  58 ILE  HB     59 SER  H      4.49             (#peak   302 #SUP  1.00;)
 &rst
  ixpk= 302, nxpk= 0, iat= 915, 930, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  47 ARG  QG     59 SER  H      5.06             (#peak   303 #SUP  0.92  #QF  0.92;)
 &rst
  ixpk= 303, nxpk= 0, iat=  -1, 930, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 738, 739,
 &end
#
#  59 SER  H      64 PRO  HD3    5.53             (#peak   304 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 304, nxpk= 0, iat= 930,1017, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,  &end
#
#  58 ILE  HG13   59 SER  H      5.88             (#peak   305 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 305, nxpk= 0, iat= 922, 930, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,  &end
#
#  58 ILE  QG2    59 SER  H      3.85             (#peak   306 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 306, nxpk= 0, iat=  -1, 930, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 917, 918, 919,
 &end
#
#  57 THR  QG2    59 SER  H      5.45             (#peak   307 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 307, nxpk= 0, iat=  -1, 930, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 903, 904, 905,
 &end
#
#  59 SER  HA     60 LEU  H      3.30             (#peak   312 #SUP  0.83  #QF  0.83;)
 &rst
  ixpk= 312, nxpk= 0, iat= 932, 941, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  59 SER  HB2    60 LEU  H      5.05             (#peak   313 #SUP  1.00;)
 &rst
  ixpk= 313, nxpk= 0, iat= 934, 941, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#  58 ILE  QG2    60 LEU  H      5.24             (#peak   319 #SUP  0.48  #QF  0.48;)
 &rst
  ixpk= 319, nxpk= 0, iat=  -1, 941, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 917, 918, 919,
 &end
#
#  60 LEU  H      60 LEU  QD1    4.41             (#peak   320 #SUP  1.00;)
 &rst
  ixpk= 320, nxpk= 0, iat= 941,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 950, 951, 952,
 &end
#
#  61 ASP  HA     63 LEU  H      4.67             (#peak   324 #SUP  1.00;)
 &rst
  ixpk= 324, nxpk= 0, iat= 962, 996, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  61 ASP  HB2    63 LEU  H      4.31             (#peak   328 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 328, nxpk= 0, iat= 964, 996, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#  63 LEU  H      64 PRO  HD2    5.54             (#peak   330 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 330, nxpk= 0, iat= 996,1016, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,  &end
#
#  62 ARG  HG3    63 LEU  H      4.10             (#peak   332 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 332, nxpk= 0, iat= 980, 996, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  63 LEU  H      63 LEU  QB     3.45             (#peak   333 #SUP  1.00;)
 &rst
  ixpk= 333, nxpk= 0, iat= 996,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2=1000,1001,
 &end
#
#  63 LEU  H      63 LEU  QD2    6.04             (#peak   334 #SUP  0.85  #QF  0.85;)
 &rst
  ixpk= 334, nxpk= 0, iat= 996,  -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
 igr2=1009,1010,1011,
 &end
#
#  68 CYZN  H      76 TRP  HE1    4.95             (#peak   335 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 335, nxpk= 0, iat=1090,1213, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#  68 CYZN  H      69 SER  H      5.32             (#peak   336 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 336, nxpk= 0, iat=1090,1100, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
#  68 CYZN  H      73 LEU  H      4.28             (#peak   338 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 338, nxpk= 0, iat=1090,1142, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  67 HIS  HA     68 CYZN  H      3.58             (#peak   341 #SUP  0.96  #QF  0.81;)
 &rst
  ixpk= 341, nxpk= 0, iat=1075,1090, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#  68 CYZN  H      72 GLY  HA2    4.77             (#peak   342 #SUP  0.98  #QF  0.90;)
 &rst
  ixpk= 342, nxpk= 0, iat=1090,1137, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  68 CYZN  H      72 GLY  HA3    6.16             (#peak   343 #SUP  1.00;)
 &rst
  ixpk= 343, nxpk= 0, iat=1090,1138, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  68 CYZN  H      68 CYZN  HB3    3.35             (#peak   344 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 344, nxpk= 0, iat=1090,1094, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
#  68 CYZN  H      68 CYZN  HB2    3.68             (#peak   345 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 345, nxpk= 0, iat=1090,1095, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
#  68 CYZN  H      73 LEU  HG     5.68             (#peak   346 #SUP  0.44  #QF  0.44;)
 &rst
  ixpk= 346, nxpk= 0, iat=1090,1149, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,  &end
#
#  66 LYS  QD     68 CYZN  H      6.16             (#peak   347 #SUP  0.98  #QF  0.76;)
 &rst
  ixpk= 347, nxpk= 0, iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1=1061,1062,
 &end
#
#  69 SER  H      76 TRP  HZ2    4.65             (#peak   351 #SUP  1.00;)
 &rst
  ixpk= 351, nxpk= 0, iat=1100,1216, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#  68 CYZN  HA     69 SER  H      3.45             (#peak   353 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 353, nxpk= 0, iat=1092,1100, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
#  69 SER  H      69 SER  HB3    4.14             (#peak   355 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 355, nxpk= 0, iat=1100,1105, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  68 CYZN  HB3    69 SER  H      5.02             (#peak   356 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 356, nxpk= 0, iat=1094,1100, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#  68 CYZN  HB2    69 SER  H      5.10             (#peak   357 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 357, nxpk= 0, iat=1095,1100, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  70 THR  H      71 CYZN  H      3.26             (#peak   359 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 359, nxpk= 0, iat=1111,1125, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
#  70 THR  H      76 TRP  HZ2    6.16             (#peak   361 #SUP  1.00;)
 &rst
  ixpk= 361, nxpk= 0, iat=1111,1216, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  55 ASN  HD22   70 THR  H      4.96             (#peak   362 #SUP  1.00;)
 &rst
  ixpk= 362, nxpk= 0, iat= 869,1111, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  70 THR  H      71 CYZN  HA     5.52             (#peak   363 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 363, nxpk= 0, iat=1111,1127, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,  &end
#
#  68 CYZN  HA     70 THR  H      5.00             (#peak   364 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 364, nxpk= 0, iat=1092,1111, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  70 THR  H      70 THR  HB     3.18             (#peak   365 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 365, nxpk= 0, iat=1111,1115, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
#  70 THR  H      71 CYZN  HB3    6.00             (#peak   367 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 367, nxpk= 0, iat=1111,1129, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  68 CYZN  HB2    70 THR  H      5.32             (#peak   368 #SUP  0.82  #QF  0.82;)
 &rst
  ixpk= 368, nxpk= 0, iat=1095,1111, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
#  70 THR  H      72 GLY  H      4.33             (#peak   370 #SUP  1.00;)
 &rst
  ixpk= 370, nxpk= 0, iat=1111,1135, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#  68 CYZN  H      72 GLY  H      4.98             (#peak   371 #SUP  1.00;)
 &rst
  ixpk= 371, nxpk= 0, iat=1090,1135, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#  71 CYZN  H      72 GLY  H      3.25             (#peak   372 #SUP  0.88  #QF  0.88;)
 &rst
  ixpk= 372, nxpk= 0, iat=1125,1135, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
#  68 CYZN  HA     72 GLY  H      5.56             (#peak   375 #SUP  0.87  #QF  0.87;)
 &rst
  ixpk= 375, nxpk= 0, iat=1092,1135, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,  &end
#
#  68 CYZN  HB3    72 GLY  H      4.04             (#peak   379 #SUP  1.00;)
 &rst
  ixpk= 379, nxpk= 0, iat=1094,1135, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  71 CYZN  HB3    72 GLY  H      5.00             (#peak   380 #SUP  1.00;)
 &rst
  ixpk= 380, nxpk= 0, iat=1129,1135, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  68 CYZN  HB2    72 GLY  H      4.66             (#peak   381 #SUP  1.00;)
 &rst
  ixpk= 381, nxpk= 0, iat=1095,1135, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#  72 GLY  H      73 LEU  HG     5.30             (#peak   382 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 382, nxpk= 0, iat=1135,1149, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  70 THR  QG2    72 GLY  H      6.14             (#peak   383 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 383, nxpk= 0, iat=  -1,1135, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
 igr1=1117,1118,1119,
 &end
#
#  72 GLY  H      73 LEU  QD1    6.14             (#peak   384 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 384, nxpk= 0, iat=1135,  -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
 igr2=1151,1152,1153,
 &end
#
#  72 GLY  H      73 LEU  H      3.89             (#peak   387 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 387, nxpk= 0, iat=1135,1142, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  68 CYZN  HB2    73 LEU  H      4.36             (#peak   390 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 390, nxpk= 0, iat=1095,1142, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#  73 LEU  H      73 LEU  HG     3.39             (#peak   391 #SUP  0.89  #QF  0.89;)
 &rst
  ixpk= 391, nxpk= 0, iat=1142,1149, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#  75 LYS  H      76 TRP  HE1    5.70             (#peak   392 #SUP  0.84  #QF  0.84;)
 &rst
  ixpk= 392, nxpk= 0, iat=1181,1213, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  74 PHE  QD     75 LYS  H      5.06             (#peak   394 #SUP  1.00;)
 &rst
  ixpk= 394, nxpk= 0, iat=  -1,1181, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1=1169,1177,
 &end
#
#  74 PHE  HA     75 LYS  H      3.36             (#peak   399 #SUP  0.83  #QF  0.83;)
 &rst
  ixpk= 399, nxpk= 0, iat=1163,1181, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
#  74 PHE  HB2    75 LYS  H      5.21             (#peak   400 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 400, nxpk= 0, iat=1165,1181, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#  75 LYS  H      76 TRP  HB2    5.60             (#peak   401 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 401, nxpk= 0, iat=1181,1207, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  75 LYS  H      75 LYS  HB2    4.19             (#peak   402 #SUP  1.00;)
 &rst
  ixpk= 402, nxpk= 0, iat=1181,1185, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  74 PHE  HB3    75 LYS  H      5.21             (#peak   403 #SUP  0.86  #QF  0.86;)
 &rst
  ixpk= 403, nxpk= 0, iat=1166,1181, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#  75 LYS  H      75 LYS  HG2    4.70             (#peak   404 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 404, nxpk= 0, iat=1181,1188, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  75 LYS  H      75 LYS  HB3    4.49             (#peak   405 #SUP  1.00;)
 &rst
  ixpk= 405, nxpk= 0, iat=1181,1186, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  76 TRP  H      76 TRP  HE1    5.42             (#peak   407 #SUP  0.85  #QF  0.85;)
 &rst
  ixpk= 407, nxpk= 0, iat=1203,1213, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
#  76 TRP  H      77 GLU  H      5.45             (#peak   408 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 408, nxpk= 0, iat=1203,1227, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#  75 LYS  H      76 TRP  H      3.46             (#peak   409 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 409, nxpk= 0, iat=1181,1203, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#  76 TRP  H      76 TRP  HE3    5.48             (#peak   410 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 410, nxpk= 0, iat=1203,1222, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
#  75 LYS  HA     76 TRP  H      3.49             (#peak   413 #SUP  0.96  #QF  0.81;)
 &rst
  ixpk= 413, nxpk= 0, iat=1183,1203, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
#  74 PHE  HA     76 TRP  H      4.38             (#peak   414 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 414, nxpk= 0, iat=1163,1203, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#  76 TRP  H      76 TRP  HB3    4.13             (#peak   415 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 415, nxpk= 0, iat=1203,1208, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#  76 TRP  H      76 TRP  HB2    3.56             (#peak   416 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 416, nxpk= 0, iat=1203,1207, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
#  64 PRO  HD2    76 TRP  H      6.06             (#peak   417 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 417, nxpk= 0, iat=1016,1203, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,  &end
#
#  75 LYS  QD     76 TRP  H      5.73             (#peak   419 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 419, nxpk= 0, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr1=1191,1192,
 &end
#
#  75 LYS  HG2    76 TRP  H      5.62             (#peak   420 #SUP  1.00;)
 &rst
  ixpk= 420, nxpk= 0, iat=1188,1203, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,  &end
#
#  63 LEU  QD2    76 TRP  H      5.42             (#peak   422 #SUP  0.96  #QF  0.67;)
 &rst
  ixpk= 422, nxpk= 0, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1=1009,1010,1011,
 &end
#
#  50 LYS  H      77 GLU  H      3.96             (#peak   423 #SUP  1.00;)
 &rst
  ixpk= 423, nxpk= 0, iat= 795,1227, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#  77 GLU  H      79 VAL  H      6.16             (#peak   425 #SUP  0.72  #QF  0.72;)
 &rst
  ixpk= 425, nxpk= 0, iat=1227,1266, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  49 PHE  QD     77 GLU  H      4.42             (#peak   427 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 427, nxpk= 0, iat=  -1,1227, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 783, 791,
 &end
#
#  49 PHE  HA     77 GLU  H      4.95             (#peak   428 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 428, nxpk= 0, iat= 777,1227, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#  76 TRP  HA     77 GLU  H      3.20             (#peak   430 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 430, nxpk= 0, iat=1205,1227, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#  52 PRO  HD3    77 GLU  H      6.16             (#peak   431 #SUP  0.89  #QF  0.89;)
 &rst
  ixpk= 431, nxpk= 0, iat= 830,1227, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  76 TRP  HB3    77 GLU  H      4.23             (#peak   432 #SUP  0.82  #QF  0.82;)
 &rst
  ixpk= 432, nxpk= 0, iat=1208,1227, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#  76 TRP  HB2    77 GLU  H      4.72             (#peak   433 #SUP  1.00;)
 &rst
  ixpk= 433, nxpk= 0, iat=1207,1227, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  77 GLU  H      77 GLU  HG2    5.24             (#peak   434 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 434, nxpk= 0, iat=1227,1234, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#  77 GLU  H      77 GLU  HG3    5.24             (#peak   435 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 435, nxpk= 0, iat=1227,1235, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#  77 GLU  H      77 GLU  HB3    3.82             (#peak   436 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 436, nxpk= 0, iat=1227,1232, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#  50 LYS  QB     77 GLU  H      4.95             (#peak   437 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 437, nxpk= 0, iat=  -1,1227, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 799, 800,
 &end
#
#  50 LYS  HG3    77 GLU  H      6.16             (#peak   438 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 438, nxpk= 0, iat= 803,1227, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  50 LYS  HG2    77 GLU  H      5.88             (#peak   439 #SUP  0.91  #QF  0.91;)
 &rst
  ixpk= 439, nxpk= 0, iat= 802,1227, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,  &end
#
#  77 GLU  H      79 VAL  QG2    5.96             (#peak   440 #SUP  0.83  #QF  0.83;)
 &rst
  ixpk= 440, nxpk= 0, iat=1227,  -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr2=1276,1277,1278,
 &end
#
#  50 LYS  H      78 ARG  H      5.80             (#peak   441 #SUP  0.84  #QF  0.84;)
 &rst
  ixpk= 441, nxpk= 0, iat= 795,1242, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  78 ARG  H      79 VAL  H      5.20             (#peak   443 #SUP  1.00;)
 &rst
  ixpk= 443, nxpk= 0, iat=1242,1266, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  49 PHE  HA     78 ARG  H      5.48             (#peak   446 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 446, nxpk= 0, iat= 777,1242, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
#  77 GLU  HA     78 ARG  H      3.10             (#peak   447 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 447, nxpk= 0, iat=1229,1242, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
#  77 GLU  HG2    78 ARG  H      4.72             (#peak   450 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 450, nxpk= 0, iat=1234,1242, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  77 GLU  HG3    78 ARG  H      4.72             (#peak   451 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 451, nxpk= 0, iat=1235,1242, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  77 GLU  HB3    78 ARG  H      4.76             (#peak   452 #SUP  0.87  #QF  0.87;)
 &rst
  ixpk= 452, nxpk= 0, iat=1232,1242, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#  78 ARG  H      78 ARG  HB2    3.45             (#peak   453 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 453, nxpk= 0, iat=1242,1246, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
#  78 ARG  H      79 VAL  QG1    6.00             (#peak   455 #SUP  0.61  #QF  0.61;)
 &rst
  ixpk= 455, nxpk= 0, iat=1242,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1272,1273,1274,
 &end
#
#  85 LYS  H      86 THR  H      5.75             (#peak   456 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 456, nxpk= 0, iat=1362,1384, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,  &end
#
#  85 LYS  HA     86 THR  H      3.44             (#peak   458 #SUP  0.90  #QF  0.52;)
 &rst
  ixpk= 458, nxpk= 0, iat=1364,1384, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#  86 THR  HA     87 GLY  H      3.53             (#peak   463 #SUP  0.89  #QF  0.89;)
 &rst
  ixpk= 463, nxpk= 0, iat=1386,1398, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
#  86 THR  QG2    87 GLY  H      5.19             (#peak   465 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 465, nxpk= 0, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1=1390,1391,1392,
 &end
#
#  40 HIS  H      41 TRP  H      4.74             (#peak   469 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 469, nxpk= 0, iat= 614, 631, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#  17 THR  H      40 HIS  H      4.02             (#peak   471 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 471, nxpk= 0, iat= 247, 614, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#  39 PHE  H      40 HIS  H      5.13             (#peak   472 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 472, nxpk= 0, iat= 594, 614, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#  40 HIS  H      41 TRP  HD1    6.16             (#peak   473 #SUP  0.68  #QF  0.68;)
 &rst
  ixpk= 473, nxpk= 0, iat= 614, 639, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  39 PHE  HA     40 HIS  H      3.30             (#peak   475 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 475, nxpk= 0, iat= 596, 614, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  18 CYZN  HA     40 HIS  H      4.40             (#peak   477 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 477, nxpk= 0, iat= 263, 614, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  16 VAL  HA     40 HIS  H      4.91             (#peak   478 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 478, nxpk= 0, iat= 233, 614, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  17 THR  HB     40 HIS  H      4.79             (#peak   479 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 479, nxpk= 0, iat= 251, 614, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#  40 HIS  H      40 HIS  HB2    4.22             (#peak   480 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 480, nxpk= 0, iat= 614, 618, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#  40 HIS  H      40 HIS  HB3    4.28             (#peak   481 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 481, nxpk= 0, iat= 614, 619, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  39 PHE  HB3    40 HIS  H      3.89             (#peak   482 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 482, nxpk= 0, iat= 599, 614, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  17 THR  QG2    40 HIS  H      5.08             (#peak   483 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 483, nxpk= 0, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 253, 254, 255,
 &end
#
#  11 GLN  H      48 PHE  QE     5.12             (#peak   488 #SUP  0.94  #QF  0.62;)
 &rst
  ixpk= 488, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2= 765, 769,
 &end
#
#  11 GLN  H      48 PHE  HZ     5.38             (#peak   488 #SUP  0.94  #QF  0.62;)
 &rst
  ixpk= 488, nxpk= 0, iat= 152, 767, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#  45 VAL  H      60 LEU  HA     6.14             (#peak   489 #SUP  0.86  #QF  0.86;)
 &rst
  ixpk= 489, nxpk= 0, iat= 693, 943, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,  &end
#
#  10 GLU  HA     11 GLN  H      3.21             (#peak   490 #SUP  0.81  #QF  0.81;)
 &rst
  ixpk= 490, nxpk= 0, iat= 139, 152, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
#  44 GLY  HA3    45 VAL  H      3.45             (#peak   492 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 492, nxpk= 0, iat= 689, 693, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
#  11 GLN  H      11 GLN  QG     4.31             (#peak   493 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 493, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 159, 160,
 &end
#
#  10 GLU  QG     11 GLN  H      4.36             (#peak   494 #SUP  1.00  #QF  0.32;)
 &rst
  ixpk= 494, nxpk= 0, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 144, 145,
 &end
#
#  10 GLU  HB2    11 GLN  H      3.70             (#peak   495 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 495, nxpk= 0, iat= 141, 152, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  45 VAL  H      45 VAL  HB     4.02             (#peak   496 #SUP  0.90  #QF  0.90;)
 &rst
  ixpk= 496, nxpk= 0, iat= 693, 697, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#  11 GLN  H      46 LYS  QD     4.74             (#peak   497 #SUP  0.88  #QF  0.88;)
 &rst
  ixpk= 497, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2= 719, 720,
 &end
#
#  47 ARG  H      60 LEU  HA     4.66             (#peak   505 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 505, nxpk= 0, iat= 731, 943, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#  47 ARG  H      47 ARG  HD2    5.43             (#peak   507 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 507, nxpk= 0, iat= 731, 741, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#  47 ARG  H      47 ARG  HD3    5.43             (#peak   508 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 508, nxpk= 0, iat= 731, 742, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#  83 LYS  H      83 LYS  QB     3.52             (#peak   509 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 509, nxpk= 0, iat=1325,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2=1329,1330,
 &end
#
#  82 LEU  QB     83 LYS  H      3.85             (#peak   510 #SUP  0.83  #QF  0.83;)
 &rst
  ixpk= 510, nxpk= 0, iat=  -1,1325, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1=1310,1311,
 &end
#
#  46 LYS  HG3    47 ARG  H      5.14             (#peak   511 #SUP  0.92  #QF  0.92;)
 &rst
  ixpk= 511, nxpk= 0, iat= 717, 731, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#  82 LEU  QQD    83 LYS  H      4.35             (#peak   512 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 512, nxpk= 0, iat=  -1,1325, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1=1315,1316,1317,1319,1320,1321,
 &end
#
#  47 ARG  H      58 ILE  QG2    4.48             (#peak   513 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 513, nxpk= 0, iat= 731,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2= 917, 918, 919,
 &end
#
#  49 PHE  H      50 LYS  H      5.10             (#peak   515 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 515, nxpk= 0, iat= 775, 795, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  48 PHE  H      49 PHE  H      5.12             (#peak   517 #SUP  0.86  #QF  0.86;)
 &rst
  ixpk= 517, nxpk= 0, iat= 755, 775, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#  48 PHE  QD     49 PHE  H      5.31             (#peak   518 #SUP  0.97  #QF  0.86;)
 &rst
  ixpk= 518, nxpk= 0, iat=  -1, 775, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 763, 771,
 &end
#
#  49 PHE  H      58 ILE  HA     4.40             (#peak   522 #SUP  1.00;)
 &rst
  ixpk= 522, nxpk= 0, iat= 775, 913, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  48 PHE  QB     49 PHE  H      3.94             (#peak   524 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 524, nxpk= 0, iat=  -1, 775, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 759, 760,
 &end
#
#  49 PHE  H      49 PHE  HB2    4.08             (#peak   525 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 525, nxpk= 0, iat= 775, 779, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  47 ARG  HB2    49 PHE  H      6.16             (#peak   526 #SUP  1.00  #QF  0.57;)
 &rst
  ixpk= 526, nxpk= 0, iat= 735, 775, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  49 PHE  H      50 LYS  QB     6.16             (#peak   526 #SUP  1.00  #QF  0.57;)
 &rst
  ixpk= 526, nxpk= 0, iat= 775,  -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr2= 799, 800,
 &end
#
#  49 PHE  H      79 VAL  QG2    4.56             (#peak   528 #SUP  0.91  #QF  0.91;)
 &rst
  ixpk= 528, nxpk= 0, iat= 775,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2=1276,1277,1278,
 &end
#
#  49 PHE  H      57 THR  QG2    4.51             (#peak   529 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 529, nxpk= 0, iat= 775,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 903, 904, 905,
 &end
#
#  53 CYZN  H      55 ASN  H      4.66             (#peak   531 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 531, nxpk= 0, iat= 842, 859, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#  53 CYZN  H      53 CYZN  HB2    4.11             (#peak   535 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 535, nxpk= 0, iat= 842, 847, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  52 PRO  HG2    53 CYZN  H      4.58             (#peak   537 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 537, nxpk= 0, iat= 832, 842, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  52 PRO  HB3    53 CYZN  H      5.10             (#peak   538 #SUP  1.00;)
 &rst
  ixpk= 538, nxpk= 0, iat= 836, 842, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  51 CYZN  H      56 ARG  H      5.62             (#peak   540 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 540, nxpk= 0, iat= 817, 873, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,  &end
#
#  55 ASN  H      56 ARG  H      5.21             (#peak   541 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 541, nxpk= 0, iat= 859, 873, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#  56 ARG  H      57 THR  H      5.19             (#peak   542 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 542, nxpk= 0, iat= 873, 897, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#  55 ASN  HD21   56 ARG  H      5.38             (#peak   543 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 543, nxpk= 0, iat= 868, 873, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#  55 ASN  HD22   56 ARG  H      5.54             (#peak   545 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 545, nxpk= 0, iat= 869, 873, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,  &end
#
#  29 LYS  H      32 CYZN  H      5.39             (#peak   546 #SUP  0.99  #QF  0.93;)
 &rst
  ixpk= 546, nxpk= 0, iat= 447, 498, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#  56 ARG  H      76 TRP  HZ3    5.66             (#peak   546 #SUP  0.99  #QF  0.93;)
 &rst
  ixpk= 546, nxpk= 0, iat= 873,1220, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,  &end
#
#  23 TYR  QE     29 LYS  H      4.70             (#peak   547 #SUP  0.57  #QF  0.57;)
 &rst
  ixpk= 547, nxpk= 0, iat=  -1, 447, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 349, 354,
 &end
#
#  55 ASN  HA     56 ARG  H      2.99             (#peak   549 #SUP  0.85  #QF  0.85;)
 &rst
  ixpk= 549, nxpk= 0, iat= 861, 873, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
#  28 PRO  HA     29 LYS  H      3.34             (#peak   550 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 550, nxpk= 0, iat= 443, 447, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#  56 ARG  H      56 ARG  QD     4.73             (#peak   553 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 553, nxpk= 0, iat= 873,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 883, 884,
 &end
#
#  55 ASN  HB3    56 ARG  H      4.23             (#peak   554 #SUP  0.87  #QF  0.87;)
 &rst
  ixpk= 554, nxpk= 0, iat= 864, 873, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#  55 ASN  HB2    56 ARG  H      4.39             (#peak   555 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 555, nxpk= 0, iat= 863, 873, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  29 LYS  H      29 LYS  HE2    6.16             (#peak   556 #SUP  0.96  #QF  0.42;)
 &rst
  ixpk= 556, nxpk= 0, iat= 447, 460, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  29 LYS  H      29 LYS  HE3    6.16             (#peak   556 #SUP  0.96  #QF  0.42;)
 &rst
  ixpk= 556, nxpk= 0, iat= 447, 461, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  29 LYS  H      29 LYS  HB2    4.10             (#peak   557 #SUP  1.00;)
 &rst
  ixpk= 557, nxpk= 0, iat= 447, 451, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  58 ILE  H      59 SER  H      5.10             (#peak   561 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 561, nxpk= 0, iat= 911, 930, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  57 THR  H      58 ILE  H      5.10             (#peak   562 #SUP  1.00;)
 &rst
  ixpk= 562, nxpk= 0, iat= 897, 911, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  49 PHE  QE     58 ILE  H      6.16             (#peak   564 #SUP  0.73  #QF  0.73;)
 &rst
  ixpk= 564, nxpk= 0, iat=  -1, 911, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1= 785, 789,
 &end
#
#  57 THR  HA     58 ILE  H      3.27             (#peak   566 #SUP  0.89  #QF  0.89;)
 &rst
  ixpk= 566, nxpk= 0, iat= 899, 911, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
#  57 THR  HB     58 ILE  H      4.44             (#peak   567 #SUP  1.00;)
 &rst
  ixpk= 567, nxpk= 0, iat= 901, 911, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  58 ILE  H      58 ILE  HB     3.79             (#peak   568 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 568, nxpk= 0, iat= 911, 915, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#  58 ILE  H      58 ILE  QG2    4.54             (#peak   570 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 570, nxpk= 0, iat= 911,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr2= 917, 918, 919,
 &end
#
#  57 THR  QG2    58 ILE  H      4.05             (#peak   571 #SUP  1.00;)
 &rst
  ixpk= 571, nxpk= 0, iat=  -1, 911, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 903, 904, 905,
 &end
#
#  60 LEU  H      61 ASP  H      3.65             (#peak   572 #SUP  0.92  #QF  0.92;)
 &rst
  ixpk= 572, nxpk= 0, iat= 941, 960, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#  49 PHE  QE     61 ASP  H      5.42             (#peak   574 #SUP  1.00  #QF  0.41;)
 &rst
  ixpk= 574, nxpk= 0, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 785, 789,
 &end
#
#  61 ASP  H      63 LEU  H      5.66             (#peak   574 #SUP  1.00  #QF  0.41;)
 &rst
  ixpk= 574, nxpk= 0, iat= 960, 996, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,  &end
#
#  61 ASP  H      64 PRO  HA     5.66             (#peak   575 #SUP  0.86  #QF  0.86;)
 &rst
  ixpk= 575, nxpk= 0, iat= 960,1025, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,  &end
#
#  59 SER  HB3    61 ASP  H      4.29             (#peak   576 #SUP  0.76  #QF  0.76;)
 &rst
  ixpk= 576, nxpk= 0, iat= 935, 960, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#  61 ASP  H      61 ASP  HB2    4.03             (#peak   577 #SUP  0.84  #QF  0.84;)
 &rst
  ixpk= 577, nxpk= 0, iat= 960, 964, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  61 ASP  H      61 ASP  HB3    4.03             (#peak   578 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 578, nxpk= 0, iat= 960, 965, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  47 ARG  QG     61 ASP  H      4.86             (#peak   579 #SUP  0.91  #QF  0.43;)
 &rst
  ixpk= 579, nxpk= 0, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 738, 739,
 &end
#
#  60 LEU  HB3    61 ASP  H      5.17             (#peak   579 #SUP  0.91  #QF  0.43;)
 &rst
  ixpk= 579, nxpk= 0, iat= 946, 960, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#  60 LEU  QD2    61 ASP  H      5.81             (#peak   582 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 582, nxpk= 0, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
 igr1= 954, 955, 956,
 &end
#
#  24 THR  H      25 HIS  H      5.17             (#peak   583 #SUP  1.00;)
 &rst
  ixpk= 583, nxpk= 0, iat= 360, 374, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#  62 ARG  H      63 LEU  H      3.72             (#peak   585 #SUP  1.00;)
 &rst
  ixpk= 585, nxpk= 0, iat= 972, 996, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  23 TYR  QD     24 THR  H      4.12             (#peak   587 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 587, nxpk= 0, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 347, 356,
 &end
#
#  23 TYR  HA     24 THR  H      3.20             (#peak   589 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 589, nxpk= 0, iat= 341, 360, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#  61 ASP  HA     62 ARG  H      3.33             (#peak   590 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 590, nxpk= 0, iat= 962, 972, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
#  24 THR  H      24 THR  HB     3.72             (#peak   592 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 592, nxpk= 0, iat= 360, 364, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  62 ARG  H      62 ARG  QD     4.75             (#peak   593 #SUP  1.00;)
 &rst
  ixpk= 593, nxpk= 0, iat= 972,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2= 982, 983,
 &end
#
#  62 ARG  H      62 ARG  QB     3.49             (#peak   596 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 596, nxpk= 0, iat= 972,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 976, 977,
 &end
#
#  62 ARG  H      62 ARG  HG3    4.26             (#peak   597 #SUP  1.00;)
 &rst
  ixpk= 597, nxpk= 0, iat= 972, 980, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  62 ARG  H      63 LEU  QB     5.30             (#peak   598 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 598, nxpk= 0, iat= 972,  -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr2=1000,1001,
 &end
#
#   5 MET  HA      6 GLN  H      3.61             (#peak   601 #SUP  0.91  #QF  0.91;)
 &rst
  ixpk= 601, nxpk= 0, iat=  51,  66, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#   4 GLY  QA      6 GLN  H      6.16             (#peak   602 #SUP  0.92  #QF  0.92;)
 &rst
  ixpk= 602, nxpk= 0, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1=  44,  45,
 &end
#
#   6 GLN  H       6 GLN  QG     4.65             (#peak   603 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 603, nxpk= 0, iat=  66,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2=  73,  74,
 &end
#
#   6 GLN  H       6 GLN  HB3    4.55             (#peak   604 #SUP  0.82  #QF  0.82;)
 &rst
  ixpk= 604, nxpk= 0, iat=  66,  71, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#  70 THR  HB     71 CYZN  H      3.63             (#peak   608 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 608, nxpk= 0, iat=1115,1125, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#  71 CYZN  H      72 GLY  HA3    5.07             (#peak   609 #SUP  0.92  #QF  0.92;)
 &rst
  ixpk= 609, nxpk= 0, iat=1125,1138, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  68 CYZN  HB3    71 CYZN  H      4.54             (#peak   612 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 612, nxpk= 0, iat=1094,1125, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  71 CYZN  H      71 CYZN  HB3    4.00             (#peak   613 #SUP  1.00;)
 &rst
  ixpk= 613, nxpk= 0, iat=1125,1129, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  68 CYZN  HB2    71 CYZN  H      5.04             (#peak   614 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 614, nxpk= 0, iat=1095,1125, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#  74 PHE  H      74 PHE  QD     5.24             (#peak   616 #SUP  0.81  #QF  0.81;)
 &rst
  ixpk= 616, nxpk= 0, iat=1161,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2=1169,1177,
 &end
#
#  73 LEU  HA     74 PHE  H      3.27             (#peak   617 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 617, nxpk= 0, iat=1144,1161, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
#  74 PHE  H      74 PHE  HB2    4.05             (#peak   618 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 618, nxpk= 0, iat=1161,1165, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  74 PHE  H      74 PHE  HB3    4.05             (#peak   619 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 619, nxpk= 0, iat=1161,1166, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  74 PHE  H      75 LYS  HG2    4.39             (#peak   620 #SUP  0.86  #QF  0.86;)
 &rst
  ixpk= 620, nxpk= 0, iat=1161,1188, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  48 PHE  QD     79 VAL  H      6.16             (#peak   624 #SUP  0.76  #QF  0.62;)
 &rst
  ixpk= 624, nxpk= 0, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1= 763, 771,
 &end
#
#  49 PHE  QE     79 VAL  H      6.16             (#peak   624 #SUP  0.76  #QF  0.62;)
 &rst
  ixpk= 624, nxpk= 0, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1= 785, 789,
 &end
#
#  49 PHE  HA     79 VAL  H      4.08             (#peak   626 #SUP  1.00;)
 &rst
  ixpk= 626, nxpk= 0, iat= 777,1266, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#   7 SER  HA      8 ILE  H      3.14             (#peak   627 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 627, nxpk= 0, iat=  85,  94, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
#  78 ARG  HA     79 VAL  H      3.27             (#peak   628 #SUP  1.00  #QF  0.78;)
 &rst
  ixpk= 628, nxpk= 0, iat=1244,1266, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
#  49 PHE  HB3    79 VAL  H      5.72             (#peak   630 #SUP  0.97  #QF  0.33;)
 &rst
  ixpk= 630, nxpk= 0, iat= 780,1266, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#  48 PHE  QB     79 VAL  H      4.79             (#peak   631 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 631, nxpk= 0, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 759, 760,
 &end
#
#  79 VAL  H      79 VAL  HB     4.33             (#peak   632 #SUP  1.00;)
 &rst
  ixpk= 632, nxpk= 0, iat=1266,1270, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#   8 ILE  H       8 ILE  HB     3.48             (#peak   633 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 633, nxpk= 0, iat=  94,  98, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#  78 ARG  QG     79 VAL  H      3.96             (#peak   634 #SUP  0.91  #QF  0.91;)
 &rst
  ixpk= 634, nxpk= 0, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1249,1250,
 &end
#
#   8 ILE  H       8 ILE  HG13   4.69             (#peak   636 #SUP  1.00;)
 &rst
  ixpk= 636, nxpk= 0, iat=  94, 105, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#  80 GLY  H      81 MET  H      5.13             (#peak   639 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 639, nxpk= 0, iat=1282,1289, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#  48 PHE  QB     80 GLY  H      6.14             (#peak   643 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 643, nxpk= 0, iat=  -1,1282, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
 igr1= 759, 760,
 &end
#
#  79 VAL  HB     80 GLY  H      3.66             (#peak   644 #SUP  1.00;)
 &rst
  ixpk= 644, nxpk= 0, iat=1270,1282, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#   9 ARG  HB3    80 GLY  H      6.16             (#peak   645 #SUP  0.63  #QF  0.34;)
 &rst
  ixpk= 645, nxpk= 0, iat= 118,1282, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  50 LYS  QB     80 GLY  H      6.16             (#peak   645 #SUP  0.63  #QF  0.34;)
 &rst
  ixpk= 645, nxpk= 0, iat=  -1,1282, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1= 799, 800,
 &end
#
#   9 ARG  HG3    80 GLY  H      6.10             (#peak   646 #SUP  0.91  #QF  0.88;)
 &rst
  ixpk= 646, nxpk= 0, iat= 121,1282, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  78 ARG  QG     80 GLY  H      6.16             (#peak   646 #SUP  0.91  #QF  0.88;)
 &rst
  ixpk= 646, nxpk= 0, iat=  -1,1282, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1=1249,1250,
 &end
#
#  79 VAL  QG1    80 GLY  H      4.21             (#peak   647 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 647, nxpk= 0, iat=  -1,1282, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1=1272,1273,1274,
 &end
#
#  19 LYS  H      20 THR  H      3.45             (#peak   649 #SUP  1.00;)
 &rst
  ixpk= 649, nxpk= 0, iat= 271, 293, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
#  20 THR  H      21 CYZN  H      3.48             (#peak   650 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 650, nxpk= 0, iat= 293, 307, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#  48 PHE  QD     81 MET  H      5.39             (#peak   652 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 652, nxpk= 0, iat=  -1,1289, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 763, 771,
 &end
#
#  48 PHE  QE     81 MET  H      6.16             (#peak   652 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 652, nxpk= 0, iat=  -1,1289, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1= 765, 769,
 &end
#
#  20 THR  H      39 PHE  QD     5.47             (#peak   653 #SUP  0.56  #QF  0.56;)
 &rst
  ixpk= 653, nxpk= 0, iat= 293,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr2= 602, 610,
 &end
#
#  20 THR  H      39 PHE  HA     5.30             (#peak   654 #SUP  1.00;)
 &rst
  ixpk= 654, nxpk= 0, iat= 293, 596, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  80 GLY  HA2    81 MET  H      3.75             (#peak   657 #SUP  0.92  #QF  0.92;)
 &rst
  ixpk= 657, nxpk= 0, iat=1284,1289, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#  80 GLY  HA3    81 MET  H      3.75             (#peak   659 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 659, nxpk= 0, iat=1285,1289, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#  20 THR  H      20 THR  HB     3.48             (#peak   660 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 660, nxpk= 0, iat= 293, 297, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#  20 THR  H      21 CYZN  HB2    5.62             (#peak   661 #SUP  1.00  #QF  0.98;)
 &rst
  ixpk= 661, nxpk= 0, iat= 293, 312, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,  &end
#
#  81 MET  H      81 MET  QG     4.55             (#peak   662 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 662, nxpk= 0, iat=1289,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr2=1296,1297,
 &end
#
#   9 ARG  HB2    81 MET  H      3.93             (#peak   663 #SUP  0.98  #QF  0.48;)
 &rst
  ixpk= 663, nxpk= 0, iat= 117,1289, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#   9 ARG  HB3    81 MET  H      4.28             (#peak   664 #SUP  0.98  #QF  0.83;)
 &rst
  ixpk= 664, nxpk= 0, iat= 118,1289, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  20 THR  H      22 LYS  QG     5.53             (#peak   666 #SUP  0.63  #QF  0.63;)
 &rst
  ixpk= 666, nxpk= 0, iat= 293,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr2= 324, 325,
 &end
#
#  81 MET  H      82 LEU  QQD    5.12             (#peak   667 #SUP  0.80  #QF  0.80;)
 &rst
  ixpk= 667, nxpk= 0, iat=1289,  -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
 igr2=1315,1316,1317,1319,1320,1321,
 &end
#
#  48 PHE  QE     82 LEU  H      6.16             (#peak   670 #SUP  0.98  #QF  0.82;)
 &rst
  ixpk= 670, nxpk= 0, iat=  -1,1306, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1= 765, 769,
 &end
#
#  81 MET  HA     82 LEU  H      3.12             (#peak   672 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 672, nxpk= 0, iat=1291,1306, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
#  81 MET  HB2    82 LEU  H      4.60             (#peak   674 #SUP  1.00;)
 &rst
  ixpk= 674, nxpk= 0, iat=1293,1306, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  82 LEU  H      82 LEU  QB     3.81             (#peak   675 #SUP  1.00;)
 &rst
  ixpk= 675, nxpk= 0, iat=1306,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2=1310,1311,
 &end
#
#  82 LEU  H      82 LEU  QQD    4.44             (#peak   676 #SUP  1.00;)
 &rst
  ixpk= 676, nxpk= 0, iat=1306,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1315,1316,1317,1319,1320,1321,
 &end
#
#  83 LYS  HA     84 GLU  H      3.11             (#peak   680 #SUP  0.59  #QF  0.35;)
 &rst
  ixpk= 680, nxpk= 0, iat=1327,1347, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
#  84 GLU  H      84 GLU  QG     4.54             (#peak   681 #SUP  0.86  #QF  0.78;)
 &rst
  ixpk= 681, nxpk= 0, iat=1347,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2=1354,1355,
 &end
#
#  84 GLU  H      84 GLU  HB3    4.26             (#peak   682 #SUP  0.87  #QF  0.87;)
 &rst
  ixpk= 682, nxpk= 0, iat=1347,1352, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  85 LYS  H      85 LYS  HD2    4.51             (#peak   683 #SUP  0.89  #QF  0.89;)
 &rst
  ixpk= 683, nxpk= 0, iat=1362,1372, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  85 LYS  H      85 LYS  QG     4.37             (#peak   684 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 684, nxpk= 0, iat=1362,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2=1369,1370,
 &end
#
#  82 LEU  QQD    84 GLU  H      6.16             (#peak   685 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 685, nxpk= 0, iat=  -1,1347, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
 igr1=1315,1316,1317,1319,1320,1321,
 &end
#
#  90 LEU  H      90 LEU  HG     5.04             (#peak   688 #SUP  0.86  #QF  0.78;)
 &rst
  ixpk= 688, nxpk= 0, iat=1441,1448, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#  25 HIS  H      27 LYS  H      5.81             (#peak   689 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 689, nxpk= 0, iat= 374, 411, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,  &end
#
#  27 LYS  H      28 PRO  HD2    5.52             (#peak   694 #SUP  1.00;)
 &rst
  ixpk= 694, nxpk= 0, iat= 411, 434, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,  &end
#
#  25 HIS  HB3    27 LYS  H      3.47             (#peak   695 #SUP  0.72  #QF  0.72;)
 &rst
  ixpk= 695, nxpk= 0, iat= 379, 411, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
#  16 VAL  QG1    27 LYS  H      4.26             (#peak   699 #SUP  1.00;)
 &rst
  ixpk= 699, nxpk= 0, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 237, 238, 239,
 &end
#
#  21 CYZN  H      22 LYS  H      3.52             (#peak   700 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 700, nxpk= 0, iat= 307, 317, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#  22 LYS  H      23 TYR  QD     5.17             (#peak   703 #SUP  1.00;)
 &rst
  ixpk= 703, nxpk= 0, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 347, 356,
 &end
#
#  22 LYS  H      23 TYR  HA     6.16             (#peak   705 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 705, nxpk= 0, iat= 317, 341, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  19 LYS  HA     22 LYS  H      4.33             (#peak   706 #SUP  0.99  #QF  0.48;)
 &rst
  ixpk= 706, nxpk= 0, iat= 273, 317, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#  22 LYS  H      22 LYS  HA     3.09             (#peak   707 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 707, nxpk= 0, iat= 317, 319, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
#  20 THR  HB     22 LYS  H      5.70             (#peak   708 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 708, nxpk= 0, iat= 297, 317, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  21 CYZN  HB3    22 LYS  H      4.75             (#peak   709 #SUP  1.00;)
 &rst
  ixpk= 709, nxpk= 0, iat= 311, 317, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  21 CYZN  HB2    22 LYS  H      4.33             (#peak   710 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 710, nxpk= 0, iat= 312, 317, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#  22 LYS  H      22 LYS  HB2    4.60             (#peak   711 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 711, nxpk= 0, iat= 317, 321, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  18 CYZN  HB3    22 LYS  H      5.10             (#peak   712 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 712, nxpk= 0, iat= 265, 317, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  22 LYS  H      22 LYS  HB3    4.60             (#peak   713 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 713, nxpk= 0, iat= 317, 322, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  22 LYS  H      22 LYS  QG     3.76             (#peak   714 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 714, nxpk= 0, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2= 324, 325,
 &end
#
#  20 THR  QG2    22 LYS  H      5.96             (#peak   716 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 716, nxpk= 0, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr1= 299, 300, 301,
 &end
#
#  19 LYS  H      21 CYZN  H      5.12             (#peak   717 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 717, nxpk= 0, iat= 271, 307, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#  21 CYZN  H      23 TYR  QD     4.54             (#peak   721 #SUP  0.90  #QF  0.90;)
 &rst
  ixpk= 721, nxpk= 0, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 347, 356,
 &end
#
#  21 CYZN  H      21 CYZN  HB2    3.76             (#peak   727 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 727, nxpk= 0, iat= 307, 312, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#  18 CYZN  HB2    21 CYZN  H      4.85             (#peak   728 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 728, nxpk= 0, iat= 266, 307, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#  18 CYZN  HB3    21 CYZN  H      4.52             (#peak   729 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 729, nxpk= 0, iat= 265, 307, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#  21 CYZN  H      22 LYS  QG     5.11             (#peak   730 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 730, nxpk= 0, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2= 324, 325,
 &end
#
#  18 CYZN  HA     20 THR  H      4.45             (#peak   733 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 733, nxpk= 0, iat= 263, 293, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#  19 LYS  H      38 ASP  H      5.12             (#peak   741 #SUP  0.87  #QF  0.87;)
 &rst
  ixpk= 741, nxpk= 0, iat= 271, 582, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#  19 LYS  H      39 PHE  HA     4.04             (#peak   743 #SUP  1.00;)
 &rst
  ixpk= 743, nxpk= 0, iat= 271, 596, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  18 CYZN  HA     19 LYS  H      3.48             (#peak   744 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 744, nxpk= 0, iat= 263, 271, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#  19 LYS  H      22 LYS  HA     6.16             (#peak   746 #SUP  0.90  #QF  0.90;)
 &rst
  ixpk= 746, nxpk= 0, iat= 271, 319, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  19 LYS  H      39 PHE  HB3    4.50             (#peak   748 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 748, nxpk= 0, iat= 271, 599, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  19 LYS  H      38 ASP  HB3    5.45             (#peak   749 #SUP  1.00;)
 &rst
  ixpk= 749, nxpk= 0, iat= 271, 587, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#  19 LYS  H      19 LYS  HB2    3.55             (#peak   750 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 750, nxpk= 0, iat= 271, 275, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#  19 LYS  H      19 LYS  HG2    3.89             (#peak   751 #SUP  1.00;)
 &rst
  ixpk= 751, nxpk= 0, iat= 271, 278, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  18 CYZN  H      19 LYS  H      5.23             (#peak   753 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 753, nxpk= 0, iat= 261, 271, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
#  18 CYZN  H      23 TYR  QE     5.34             (#peak   758 #SUP  0.99  #QF  0.97;)
 &rst
  ixpk= 758, nxpk= 0, iat= 261,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 349, 354,
 &end
#
#  17 THR  HA     18 CYZN  H      3.36             (#peak   760 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 760, nxpk= 0, iat= 249, 261, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
#  17 THR  HB     18 CYZN  H      5.23             (#peak   762 #SUP  0.88  #QF  0.88;)
 &rst
  ixpk= 762, nxpk= 0, iat= 251, 261, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
#  18 CYZN  H      39 PHE  HB3    4.92             (#peak   764 #SUP  1.00  #QF  0.92;)
 &rst
  ixpk= 764, nxpk= 0, iat= 261, 599, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  18 CYZN  H      18 CYZN  HB2    4.11             (#peak   765 #SUP  1.00;)
 &rst
  ixpk= 765, nxpk= 0, iat= 261, 266, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  18 CYZN  H      18 CYZN  HB3    4.00             (#peak   766 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 766, nxpk= 0, iat= 261, 265, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  17 THR  QG2    18 CYZN  H      3.72             (#peak   767 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 767, nxpk= 0, iat=  -1, 261, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1= 253, 254, 255,
 &end
#
#  16 VAL  QG1    18 CYZN  H      5.45             (#peak   768 #SUP  1.00;)
 &rst
  ixpk= 768, nxpk= 0, iat=  -1, 261, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 237, 238, 239,
 &end
#
#  16 VAL  QG2    18 CYZN  H      5.35             (#peak   769 #SUP  1.00;)
 &rst
  ixpk= 769, nxpk= 0, iat=  -1, 261, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr1= 241, 242, 243,
 &end
#
#  17 THR  H      18 CYZN  H      5.32             (#peak   772 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 772, nxpk= 0, iat= 247, 261, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
#  17 THR  H      39 PHE  HA     5.19             (#peak   774 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 774, nxpk= 0, iat= 247, 596, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#  16 VAL  HA     17 THR  H      3.29             (#peak   775 #SUP  1.00;)
 &rst
  ixpk= 775, nxpk= 0, iat= 233, 247, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
#  17 THR  H      17 THR  HB     3.92             (#peak   776 #SUP  1.00;)
 &rst
  ixpk= 776, nxpk= 0, iat= 247, 251, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#  17 THR  H      40 HIS  HB2    4.98             (#peak   777 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 777, nxpk= 0, iat= 247, 618, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#  17 THR  H      40 HIS  HB3    5.70             (#peak   778 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 778, nxpk= 0, iat= 247, 619, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  17 THR  H      39 PHE  HB2    5.41             (#peak   779 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 779, nxpk= 0, iat= 247, 598, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
#  17 THR  H      17 THR  QG2    4.36             (#peak   780 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 780, nxpk= 0, iat= 247,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 253, 254, 255,
 &end
#
#  15 VAL  QG2    17 THR  H      5.67             (#peak   781 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 781, nxpk= 0, iat=  -1, 247, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 225, 226, 227,
 &end
#
#  16 VAL  H      24 THR  HA     5.45             (#peak   786 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 786, nxpk= 0, iat= 231, 362, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#  15 VAL  HA     16 VAL  H      3.38             (#peak   788 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 788, nxpk= 0, iat= 217, 231, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
#  15 VAL  HB     16 VAL  H      3.36             (#peak   790 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 790, nxpk= 0, iat= 219, 231, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
#  16 VAL  H      24 THR  QG2    4.38             (#peak   791 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 791, nxpk= 0, iat= 231,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 366, 367, 368,
 &end
#
#  15 VAL  QG1    16 VAL  H      3.98             (#peak   792 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 792, nxpk= 0, iat=  -1, 231, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 221, 222, 223,
 &end
#
#  16 VAL  H      16 VAL  QG1    3.42             (#peak   794 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 794, nxpk= 0, iat= 231,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 237, 238, 239,
 &end
#
#  15 VAL  H      16 VAL  H      5.47             (#peak   798 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 798, nxpk= 0, iat= 215, 231, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#  14 ARG  HA     15 VAL  H      3.18             (#peak   802 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 802, nxpk= 0, iat= 193, 215, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
#  15 VAL  H      16 VAL  HA     5.64             (#peak   804 #SUP  1.00;)
 &rst
  ixpk= 804, nxpk= 0, iat= 215, 233, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,  &end
#
#  15 VAL  H      43 ASN  HB3    6.16             (#peak   806 #SUP  0.93  #QF  0.85;)
 &rst
  ixpk= 806, nxpk= 0, iat= 215, 677, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  15 VAL  H      43 ASN  HB2    6.16             (#peak   806 #SUP  0.93  #QF  0.85;)
 &rst
  ixpk= 806, nxpk= 0, iat= 215, 676, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  14 ARG  HB3    15 VAL  H      4.75             (#peak   807 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 807, nxpk= 0, iat= 196, 215, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  14 ARG  QG     15 VAL  H      4.03             (#peak   808 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 808, nxpk= 0, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1= 198, 199,
 &end
#
#  15 VAL  H      15 VAL  QG2    3.55             (#peak   810 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 810, nxpk= 0, iat= 215,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr2= 225, 226, 227,
 &end
#
#  14 ARG  H      43 ASN  HA     5.79             (#peak   813 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 813, nxpk= 0, iat= 191, 674, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
#  14 ARG  H      14 ARG  HB3    3.84             (#peak   815 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 815, nxpk= 0, iat= 191, 196, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#  14 ARG  H      14 ARG  HB2    3.45             (#peak   816 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 816, nxpk= 0, iat= 191, 195, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
#  14 ARG  H      15 VAL  QG1    5.60             (#peak   817 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 817, nxpk= 0, iat= 191,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 221, 222, 223,
 &end
#
#  12 SER  HA     13 CYS  H      2.98             (#peak   821 #SUP  0.87  #QF  0.87;)
 &rst
  ixpk= 821, nxpk= 0, iat= 171, 180, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
#  13 CYS  H      44 GLY  HA3    5.85             (#peak   823 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 823, nxpk= 0, iat= 180, 689, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,  &end
#
#  13 CYS  H      13 CYS  HB2    4.46             (#peak   824 #SUP  0.88  #QF  0.88;)
 &rst
  ixpk= 824, nxpk= 0, iat= 180, 184, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  13 CYS  H      45 VAL  HB     6.16             (#peak   825 #SUP  0.76  #QF  0.76;)
 &rst
  ixpk= 825, nxpk= 0, iat= 180, 697, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  11 GLN  HA     12 SER  H      3.26             (#peak   828 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 828, nxpk= 0, iat= 154, 169, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
#  11 GLN  QG     12 SER  H      5.01             (#peak   830 #SUP  1.00;)
 &rst
  ixpk= 830, nxpk= 0, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 159, 160,
 &end
#
#  11 GLN  QB     12 SER  H      4.50             (#peak   831 #SUP  1.00;)
 &rst
  ixpk= 831, nxpk= 0, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 156, 157,
 &end
#
#   8 ILE  HA     10 GLU  H      4.84             (#peak   837 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 837, nxpk= 0, iat=  96, 137, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#   9 ARG  QD     10 GLU  H      5.57             (#peak   838 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 838, nxpk= 0, iat=  -1, 137, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 123, 124,
 &end
#
#  10 GLU  H      10 GLU  QG     3.76             (#peak   839 #SUP  1.00;)
 &rst
  ixpk= 839, nxpk= 0, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2= 144, 145,
 &end
#
#  10 GLU  H      10 GLU  HB2    4.35             (#peak   840 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 840, nxpk= 0, iat= 137, 141, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#  10 GLU  H      10 GLU  HB3    3.64             (#peak   841 #SUP  0.91  #QF  0.91;)
 &rst
  ixpk= 841, nxpk= 0, iat= 137, 142, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#   9 ARG  H      10 GLU  H      3.67             (#peak   844 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 844, nxpk= 0, iat= 113, 137, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#   8 ILE  HA      9 ARG  H      3.29             (#peak   846 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 846, nxpk= 0, iat=  96, 113, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
#   9 ARG  H      10 GLU  QG     5.15             (#peak   848 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 848, nxpk= 0, iat= 113,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2= 144, 145,
 &end
#
#   8 ILE  HB      9 ARG  H      3.88             (#peak   849 #SUP  0.90  #QF  0.90;)
 &rst
  ixpk= 849, nxpk= 0, iat=  98, 113, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#   9 ARG  H       9 ARG  HG2    4.36             (#peak   850 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 850, nxpk= 0, iat= 113, 120, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#   6 GLN  QG      7 SER  H      5.42             (#peak   854 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 854, nxpk= 0, iat=  -1,  83, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1=  73,  74,
 &end
#
#   6 GLN  HB2     7 SER  H      5.05             (#peak   855 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 855, nxpk= 0, iat=  70,  83, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#  88 PRO  HA     89 LYS  H      3.47             (#peak   857 #SUP  0.85  #QF  0.85;)
 &rst
  ixpk= 857, nxpk= 0, iat=1415,1419, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
#  88 PRO  QD     89 LYS  H      5.73             (#peak   858 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 858, nxpk= 0, iat=  -1,1419, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr1=1406,1407,
 &end
#
#  89 LYS  H      89 LYS  QG     5.52             (#peak   860 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 860, nxpk= 0, iat=1419,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr2=1426,1427,
 &end
#
#  64 PRO  HA     65 LYS  H      3.26             (#peak   868 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 868, nxpk= 0, iat=1025,1029, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
#  65 LYS  H      65 LYS  QE     5.39             (#peak   869 #SUP  0.92  #QF  0.92;)
 &rst
  ixpk= 869, nxpk= 0, iat=1029,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2=1042,1043,
 &end
#
#  65 LYS  H      65 LYS  QB     3.96             (#peak   870 #SUP  1.00;)
 &rst
  ixpk= 870, nxpk= 0, iat=1029,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2=1033,1034,
 &end
#
#  65 LYS  H      65 LYS  HG3    4.58             (#peak   872 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 872, nxpk= 0, iat=1029,1037, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  64 PRO  HB2    65 LYS  H      4.44             (#peak   873 #SUP  1.00;)
 &rst
  ixpk= 873, nxpk= 0, iat=1022,1029, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  64 PRO  HG3    65 LYS  H      5.61             (#peak   874 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 874, nxpk= 0, iat=1020,1029, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,  &end
#
#  64 PRO  HG2    65 LYS  H      5.43             (#peak   875 #SUP  1.00;)
 &rst
  ixpk= 875, nxpk= 0, iat=1019,1029, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#   2 PRO  QG      3 MET  H      4.72             (#peak   878 #SUP  0.75  #QF  0.75;)
 &rst
  ixpk= 878, nxpk= 0, iat=  -1,  25, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  15,  16,
 &end
#
#   3 MET  QB      4 GLY  H      5.35             (#peak   882 #SUP  0.84  #QF  0.84;)
 &rst
  ixpk= 882, nxpk= 0, iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr1=  29,  30,
 &end
#
#   4 GLY  QA      5 MET  H      3.67             (#peak   885 #SUP  1.00;)
 &rst
  ixpk= 885, nxpk= 0, iat=  -1,  49, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1=  44,  45,
 &end
#
#   5 MET  H       5 MET  HB3    4.47             (#peak   886 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 886, nxpk= 0, iat=  49,  54, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#  66 LYS  H      67 HIS  H      5.71             (#peak   887 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 887, nxpk= 0, iat=1051,1073, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,  &end
#
#  67 HIS  H      67 HIS  HD2    5.22             (#peak   888 #SUP  0.85  #QF  0.85;)
 &rst
  ixpk= 888, nxpk= 0, iat=1073,1086, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
#  66 LYS  HA     67 HIS  H      3.85             (#peak   889 #SUP  0.82  #QF  0.82;)
 &rst
  ixpk= 889, nxpk= 0, iat=1053,1073, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#  66 LYS  HB2    67 HIS  H      4.67             (#peak   892 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 892, nxpk= 0, iat=1055,1073, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  66 LYS  H      76 TRP  HE1    5.66             (#peak   893 #SUP  1.00;)
 &rst
  ixpk= 893, nxpk= 0, iat=1051,1213, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,  &end
#
#  65 LYS  H      66 LYS  H      3.40             (#peak   894 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 894, nxpk= 0, iat=1029,1051, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#  65 LYS  QE     66 LYS  H      5.75             (#peak   900 #SUP  1.00  #QF  0.95;)
 &rst
  ixpk= 900, nxpk= 0, iat=  -1,1051, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr1=1042,1043,
 &end
#
#  66 LYS  H      66 LYS  QE     6.16             (#peak   900 #SUP  1.00  #QF  0.95;)
 &rst
  ixpk= 900, nxpk= 0, iat=1051,  -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr2=1064,1065,
 &end
#
#  66 LYS  H      66 LYS  HB2    4.31             (#peak   901 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 901, nxpk= 0, iat=1051,1055, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#  66 LYS  H      66 LYS  HB3    3.52             (#peak   902 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 902, nxpk= 0, iat=1051,1056, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#  66 LYS  H      66 LYS  HG2    4.39             (#peak   904 #SUP  0.97  #QF  0.51;)
 &rst
  ixpk= 904, nxpk= 0, iat=1051,1058, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  64 PRO  HB2    66 LYS  H      4.16             (#peak   905 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 905, nxpk= 0, iat=1022,1051, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  64 PRO  HG2    66 LYS  H      5.53             (#peak   906 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 906, nxpk= 0, iat=1019,1051, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,  &end
#
#  55 ASN  HA     55 ASN  HD22   5.40             (#peak   913 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 913, nxpk= 0, iat= 861, 869, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  55 ASN  HD22   70 THR  HB     5.02             (#peak   915 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 915, nxpk= 0, iat= 869,1115, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#  55 ASN  HB3    55 ASN  HD22   3.98             (#peak   917 #SUP  1.00;)
 &rst
  ixpk= 917, nxpk= 0, iat= 864, 869, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  55 ASN  HB2    55 ASN  HD22   4.48             (#peak   918 #SUP  1.00;)
 &rst
  ixpk= 918, nxpk= 0, iat= 863, 869, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#  51 CYZN  HB2    55 ASN  HD22   6.16             (#peak   919 #SUP  0.63  #QF  0.63;)
 &rst
  ixpk= 919, nxpk= 0, iat= 821, 869, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  55 ASN  HD22   70 THR  QG2    5.73             (#peak   920 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 920, nxpk= 0, iat= 869,  -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
 igr2=1117,1118,1119,
 &end
#
#  43 ASN  HA     43 ASN  HD21   5.67             (#peak   923 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 923, nxpk= 0, iat= 674, 681, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,  &end
#
#  14 ARG  HA     43 ASN  HD21   5.78             (#peak   924 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 924, nxpk= 0, iat= 193, 681, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
#  14 ARG  QG     43 ASN  HD21   5.84             (#peak   927 #SUP  0.89  #QF  0.89;)
 &rst
  ixpk= 927, nxpk= 0, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1= 198, 199,
 &end
#
#  11 GLN  QG     11 GLN  HE21   3.61             (#peak   930 #SUP  1.00;)
 &rst
  ixpk= 930, nxpk= 0, iat=  -1, 164, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 159, 160,
 &end
#
#  11 GLN  QB     11 GLN  HE21   5.52             (#peak   931 #SUP  1.00  #QF  0.99;)
 &rst
  ixpk= 931, nxpk= 0, iat=  -1, 164, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 156, 157,
 &end
#
#  10 GLU  HB2    11 GLN  HE21   6.16             (#peak   932 #SUP  0.45  #QF  0.45;)
 &rst
  ixpk= 932, nxpk= 0, iat= 141, 164, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  11 GLN  HE21   46 LYS  QD     5.77             (#peak   933 #SUP  0.87  #QF  0.87;)
 &rst
  ixpk= 933, nxpk= 0, iat= 164,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr2= 719, 720,
 &end
#
#  11 GLN  HE21   82 LEU  QQD    4.94             (#peak   934 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 934, nxpk= 0, iat= 164,  -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
 igr2=1315,1316,1317,1319,1320,1321,
 &end
#
#  35 GLU  HA     36 ASN  HD21   5.86             (#peak   940 #SUP  0.66  #QF  0.66;)
 &rst
  ixpk= 940, nxpk= 0, iat= 537, 559, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,  &end
#
#  36 ASN  HB2    36 ASN  HD21   3.73             (#peak   942 #SUP  0.87  #QF  0.87;)
 &rst
  ixpk= 942, nxpk= 0, iat= 554, 559, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#  43 ASN  HA     43 ASN  HD22   5.67             (#peak   945 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 945, nxpk= 0, iat= 674, 682, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,  &end
#
#  14 ARG  HA     43 ASN  HD22   5.78             (#peak   946 #SUP  0.90  #QF  0.90;)
 &rst
  ixpk= 946, nxpk= 0, iat= 193, 682, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
#  12 SER  QB     43 ASN  HD22   6.16             (#peak   947 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 947, nxpk= 0, iat=  -1, 682, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1= 173, 174,
 &end
#
#  36 ASN  HB2    36 ASN  HD22   4.20             (#peak   952 #SUP  1.00;)
 &rst
  ixpk= 952, nxpk= 0, iat= 554, 560, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  11 GLN  QG     11 GLN  HE22   4.02             (#peak   957 #SUP  1.00;)
 &rst
  ixpk= 957, nxpk= 0, iat=  -1, 165, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1= 159, 160,
 &end
#
#  11 GLN  HE22   82 LEU  QB     6.16             (#peak   959 #SUP  0.66  #QF  0.28;)
 &rst
  ixpk= 959, nxpk= 0, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr2=1310,1311,
 &end
#
#  11 GLN  HE22   82 LEU  QQD    5.12             (#peak   960 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 960, nxpk= 0, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
 igr2=1315,1316,1317,1319,1320,1321,
 &end
#
#  11 GLN  QB     11 GLN  HE22   5.97             (#peak   961 #SUP  0.98  #QF  0.94;)
 &rst
  ixpk= 961, nxpk= 0, iat=  -1, 165, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr1= 156, 157,
 &end
#
#  11 GLN  HE22   81 MET  QG     6.16             (#peak   961 #SUP  0.98  #QF  0.94;)
 &rst
  ixpk= 961, nxpk= 0, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr2=1296,1297,
 &end
#
#  78 ARG  HB2    78 ARG  HE     5.63             (#peak   972 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 972, nxpk= 0, iat=1246,1255, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,  &end
#
#  22 LYS  H      22 LYS  QD     4.91             (#peak   974 #SUP  1.00;)
 &rst
  ixpk= 974, nxpk= 0, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 327, 328,
 &end
#
#   5 MET  H       5 MET  HG3    5.32             (#peak   977 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 977, nxpk= 0, iat=  49,  57, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
#   5 MET  H       5 MET  HB2    4.47             (#peak   978 #SUP  1.00;)
 &rst
  ixpk= 978, nxpk= 0, iat=  49,  53, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#   6 GLN  H       6 GLN  HB2    4.55             (#peak   979 #SUP  1.00;)
 &rst
  ixpk= 979, nxpk= 0, iat=  66,  70, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#   6 GLN  HB3     7 SER  H      5.05             (#peak   982 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 982, nxpk= 0, iat=  71,  83, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#   9 ARG  H       9 ARG  HG3    4.49             (#peak   983 #SUP  1.00;)
 &rst
  ixpk= 983, nxpk= 0, iat= 113, 121, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  12 SER  QB     13 CYS  H      4.20             (#peak   986 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 986, nxpk= 0, iat=  -1, 180, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 173, 174,
 &end
#
#  14 ARG  H      15 VAL  H      5.33             (#peak   990 #SUP  1.00;)
 &rst
  ixpk= 990, nxpk= 0, iat= 191, 215, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#  15 VAL  QG2    16 VAL  H      3.99             (#peak   993 #SUP  0.83  #QF  0.83;)
 &rst
  ixpk= 993, nxpk= 0, iat=  -1, 231, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 225, 226, 227,
 &end
#
#  19 LYS  H      19 LYS  QD     5.00             (#peak   995 #SUP  1.00;)
 &rst
  ixpk= 995, nxpk= 0, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 281, 282,
 &end
#
#  19 LYS  H      19 LYS  HG3    4.37             (#peak   996 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 996, nxpk= 0, iat= 271, 279, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#  18 CYZN  HB2    22 LYS  H      5.51             (#peak   998 #SUP  0.92  #QF  0.92;)
 &rst
  ixpk= 998, nxpk= 0, iat= 266, 317, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,  &end
#
#  23 TYR  H      23 TYR  HB3    4.61             (#peak   999 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 999, nxpk= 0, iat= 339, 344, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  19 LYS  QD     23 TYR  H      6.16             (#peak  1000 #SUP  0.84  #QF  0.25;)
 &rst
  ixpk= 1000, nxpk= 0, iat=  -1, 339, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1= 281, 282,
 &end
#
#  22 LYS  QD     23 TYR  H      6.16             (#peak  1000 #SUP  0.84  #QF  0.25;)
 &rst
  ixpk= 1000, nxpk= 0, iat=  -1, 339, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1= 327, 328,
 &end
#
#  23 TYR  HB2    24 THR  H      3.67             (#peak  1001 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 1001, nxpk= 0, iat= 343, 360, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#  27 LYS  H      27 LYS  QB     4.24             (#peak  1005 #SUP  0.92  #QF  0.92;)
 &rst
  ixpk= 1005, nxpk= 0, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 415, 416,
 &end
#
#  29 LYS  H      29 LYS  HB3    4.10             (#peak  1006 #SUP  1.00;)
 &rst
  ixpk= 1006, nxpk= 0, iat= 447, 452, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  29 LYS  H      29 LYS  QD     4.42             (#peak  1009 #SUP  1.00;)
 &rst
  ixpk= 1009, nxpk= 0, iat= 447,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 457, 458,
 &end
#
#  33 VAL  H      33 VAL  QG2    4.31             (#peak  1011 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1011, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2= 518, 519, 520,
 &end
#
#  33 VAL  H      34 SER  HA     5.80             (#peak  1012 #SUP  1.00;)
 &rst
  ixpk= 1012, nxpk= 0, iat= 508, 526, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  36 ASN  HB3    37 HIZ+  H      4.73             (#peak  1013 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 1013, nxpk= 0, iat= 555, 564, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#  32 CYZN  HA     37 HIZ+  H      4.42             (#peak  1015 #SUP  1.00;)
 &rst
  ixpk= 1015, nxpk= 0, iat= 500, 564, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#  37 HIZ+  HB2    38 ASP  H      4.05             (#peak  1016 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1016, nxpk= 0, iat= 568, 582, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  21 CYZN  H      38 ASP  H      6.16             (#peak  1017 #SUP  0.84  #QF  0.84;)
 &rst
  ixpk= 1017, nxpk= 0, iat= 307, 582, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  20 THR  HB     38 ASP  H      4.21             (#peak  1019 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1019, nxpk= 0, iat= 297, 582, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#  39 PHE  H      39 PHE  HB2    3.86             (#peak  1020 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1020, nxpk= 0, iat= 594, 598, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  19 LYS  HG2    40 HIS  H      5.30             (#peak  1021 #SUP  0.71  #QF  0.71;)
 &rst
  ixpk= 1021, nxpk= 0, iat= 278, 614, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  39 PHE  HB2    40 HIS  H      3.92             (#peak  1022 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1022, nxpk= 0, iat= 598, 614, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#  64 PRO  HG2    76 TRP  HE1    5.29             (#peak  1026 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 1026, nxpk= 0, iat=1019,1213, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#  28 PRO  HG3    41 TRP  HE1    5.14             (#peak  1029 #SUP  0.92  #QF  0.92;)
 &rst
  ixpk= 1029, nxpk= 0, iat= 438, 641, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#  28 PRO  HG2    41 TRP  HE1    5.66             (#peak  1030 #SUP  0.88  #QF  0.88;)
 &rst
  ixpk= 1030, nxpk= 0, iat= 437, 641, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,  &end
#
#  66 LYS  HG3    76 TRP  HE1    5.34             (#peak  1031 #SUP  0.80  #QF  0.80;)
 &rst
  ixpk= 1031, nxpk= 0, iat=1059,1213, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
#  76 TRP  HB2    76 TRP  HE1    5.59             (#peak  1034 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1034, nxpk= 0, iat=1207,1213, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,  &end
#
#  39 PHE  HB2    41 TRP  HE1    5.47             (#peak  1035 #SUP  0.59  #QF  0.59;)
 &rst
  ixpk= 1035, nxpk= 0, iat= 598, 641, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#  67 HIS  HB3    76 TRP  HE1    6.16             (#peak  1037 #SUP  0.69  #QF  0.69;)
 &rst
  ixpk= 1037, nxpk= 0, iat=1078,1213, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  41 TRP  QB     41 TRP  HE1    5.15             (#peak  1038 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1038, nxpk= 0, iat=  -1, 641, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 635, 636,
 &end
#
#  28 PRO  HD3    41 TRP  HE1    5.45             (#peak  1039 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1039, nxpk= 0, iat= 435, 641, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#  74 PHE  HA     76 TRP  HE1    4.86             (#peak  1041 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1041, nxpk= 0, iat=1163,1213, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#  67 HIS  HA     76 TRP  HE1    4.09             (#peak  1042 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1042, nxpk= 0, iat=1075,1213, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#  66 LYS  HA     76 TRP  HE1    6.16             (#peak  1043 #SUP  0.53  #QF  0.53;)
 &rst
  ixpk= 1043, nxpk= 0, iat=1053,1213, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  65 LYS  H      76 TRP  HE1    6.16             (#peak  1051 #SUP  0.34  #QF  0.34;)
 &rst
  ixpk= 1051, nxpk= 0, iat=1029,1213, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  41 TRP  H      41 TRP  HE1    5.70             (#peak  1052 #SUP  0.87  #QF  0.87;)
 &rst
  ixpk= 1052, nxpk= 0, iat= 631, 641, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  44 GLY  H      45 VAL  H      4.78             (#peak  1057 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1057, nxpk= 0, iat= 686, 693, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#  45 VAL  H      45 VAL  QG2    4.54             (#peak  1058 #SUP  1.00;)
 &rst
  ixpk= 1058, nxpk= 0, iat= 693,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr2= 703, 704, 705,
 &end
#
#  46 LYS  H      46 LYS  HB3    4.07             (#peak  1060 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1060, nxpk= 0, iat= 709, 714, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  45 VAL  HB     46 LYS  H      4.69             (#peak  1061 #SUP  1.00;)
 &rst
  ixpk= 1061, nxpk= 0, iat= 697, 709, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#  10 GLU  HA     46 LYS  H      6.16             (#peak  1062 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 1062, nxpk= 0, iat= 139, 709, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  45 VAL  QG1    46 LYS  H      4.48             (#peak  1063 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 1063, nxpk= 0, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 699, 700, 701,
 &end
#
#  47 ARG  H      47 ARG  HE     6.16             (#peak  1064 #SUP  1.00  #QF  0.61;)
 &rst
  ixpk= 1064, nxpk= 0, iat= 731, 744, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  47 ARG  H      49 PHE  HZ     6.16             (#peak  1064 #SUP  1.00  #QF  0.61;)
 &rst
  ixpk= 1064, nxpk= 0, iat= 731, 787, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  46 LYS  HA     47 ARG  H      2.98             (#peak  1065 #SUP  0.82  #QF  0.82;)
 &rst
  ixpk= 1065, nxpk= 0, iat= 711, 731, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
#  49 PHE  H      49 PHE  HB3    4.36             (#peak  1067 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 1067, nxpk= 0, iat= 775, 780, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#  50 LYS  H      76 TRP  HB3    4.70             (#peak  1068 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1068, nxpk= 0, iat= 795,1208, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  50 LYS  H      51 CYZN  H      5.22             (#peak  1070 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 1070, nxpk= 0, iat= 795, 817, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
#  51 CYZN  HB3    53 CYZN  H      4.19             (#peak  1071 #SUP  0.58  #QF  0.58;)
 &rst
  ixpk= 1071, nxpk= 0, iat= 822, 842, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  53 CYZN  H      54 GLY  HA3    6.13             (#peak  1072 #SUP  0.92  #QF  0.92;)
 &rst
  ixpk= 1072, nxpk= 0, iat= 842, 855, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,  &end
#
#  56 ARG  H      56 ARG  HG2    4.18             (#peak  1075 #SUP  0.85  #QF  0.85;)
 &rst
  ixpk= 1075, nxpk= 0, iat= 873, 880, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  49 PHE  QD     58 ILE  H      5.45             (#peak  1077 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1077, nxpk= 0, iat=  -1, 911, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 783, 791,
 &end
#
#  58 ILE  H      58 ILE  HG12   4.63             (#peak  1078 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1078, nxpk= 0, iat= 911, 921, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  49 PHE  HZ     59 SER  H      5.51             (#peak  1079 #SUP  0.91  #QF  0.91;)
 &rst
  ixpk= 1079, nxpk= 0, iat= 787, 930, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,  &end
#
#  60 LEU  H      60 LEU  HB2    3.54             (#peak  1081 #SUP  0.69  #QF  0.69;)
 &rst
  ixpk= 1081, nxpk= 0, iat= 941, 945, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#  60 LEU  HB2    61 ASP  H      4.27             (#peak  1082 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 1082, nxpk= 0, iat= 945, 960, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#  24 THR  HB     25 HIS  H      4.91             (#peak  1085 #SUP  0.82  #QF  0.82;)
 &rst
  ixpk= 1085, nxpk= 0, iat= 364, 374, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  65 LYS  H      65 LYS  HG2    4.58             (#peak  1086 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1086, nxpk= 0, iat=1029,1036, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  64 PRO  HB3    65 LYS  H      3.75             (#peak  1087 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 1087, nxpk= 0, iat=1023,1029, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#  66 LYS  H      66 LYS  HG3    3.85             (#peak  1088 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1088, nxpk= 0, iat=1051,1059, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#  68 CYZN  HB3    70 THR  H      5.07             (#peak  1092 #SUP  0.88  #QF  0.88;)
 &rst
  ixpk= 1092, nxpk= 0, iat=1094,1111, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  67 HIS  HA     73 LEU  H      5.96             (#peak  1095 #SUP  0.83  #QF  0.40;)
 &rst
  ixpk= 1095, nxpk= 0, iat=1075,1142, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,  &end
#
#  68 CYZN  HA     73 LEU  H      6.16             (#peak  1095 #SUP  0.83  #QF  0.40;)
 &rst
  ixpk= 1095, nxpk= 0, iat=1092,1142, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  72 GLY  HA2    73 LEU  H      3.79             (#peak  1097 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 1097, nxpk= 0, iat=1137,1142, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#  71 CYZN  HB2    73 LEU  H      5.42             (#peak  1098 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 1098, nxpk= 0, iat=1130,1142, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
#  73 LEU  H      73 LEU  QD1    4.38             (#peak  1103 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1103, nxpk= 0, iat=1142,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2=1151,1152,1153,
 &end
#
#  74 PHE  H      75 LYS  QE     6.16             (#peak  1106 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1106, nxpk= 0, iat=1161,  -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr2=1194,1195,
 &end
#
#  74 PHE  H      75 LYS  HB2    5.59             (#peak  1107 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 1107, nxpk= 0, iat=1161,1185, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,  &end
#
#  75 LYS  H      75 LYS  HG3    5.30             (#peak  1110 #SUP  1.00;)
 &rst
  ixpk= 1110, nxpk= 0, iat=1181,1189, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  49 PHE  HB3    77 GLU  H      4.57             (#peak  1112 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 1112, nxpk= 0, iat= 780,1227, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  77 GLU  H      77 GLU  HB2    3.77             (#peak  1113 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1113, nxpk= 0, iat=1227,1231, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  49 PHE  HB3    78 ARG  H      5.92             (#peak  1114 #SUP  0.98  #QF  0.96;)
 &rst
  ixpk= 1114, nxpk= 0, iat= 780,1242, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
#  77 GLU  HB2    78 ARG  H      4.85             (#peak  1115 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1115, nxpk= 0, iat=1231,1242, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#  79 VAL  H      79 VAL  QG1    3.84             (#peak  1116 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1116, nxpk= 0, iat=1266,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2=1272,1273,1274,
 &end
#
#  81 MET  HB3    82 LEU  H      4.60             (#peak  1117 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 1117, nxpk= 0, iat=1294,1306, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  47 ARG  H      47 ARG  HB2    3.76             (#peak  1119 #SUP  0.48  #QF  0.26;)
 &rst
  ixpk= 1119, nxpk= 0, iat= 731, 735, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#  47 ARG  H      47 ARG  HB3    4.67             (#peak  1120 #SUP  0.67  #QF  0.53;)
 &rst
  ixpk= 1120, nxpk= 0, iat= 731, 736, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  83 LYS  H      83 LYS  QG     4.96             (#peak  1120 #SUP  0.67  #QF  0.53;)
 &rst
  ixpk= 1120, nxpk= 0, iat=1325,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2=1332,1333,
 &end
#
#  49 PHE  HA     50 LYS  H      3.43             (#peak  1121 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 1121, nxpk= 0, iat= 777, 795, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
#  83 LYS  QG     84 GLU  H      4.61             (#peak  1125 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 1125, nxpk= 0, iat=  -1,1347, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1=1332,1333,
 &end
#
#  85 LYS  H      85 LYS  HD3    4.51             (#peak  1126 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 1126, nxpk= 0, iat=1362,1373, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  84 GLU  QG     85 LYS  H      4.40             (#peak  1128 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 1128, nxpk= 0, iat=  -1,1362, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1354,1355,
 &end
#
#  85 LYS  H      85 LYS  QB     3.88             (#peak  1129 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1129, nxpk= 0, iat=1362,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2=1366,1367,
 &end
#
#  89 LYS  H      89 LYS  QD     4.73             (#peak  1132 #SUP  0.50  #QF  0.50;)
 &rst
  ixpk= 1132, nxpk= 0, iat=1419,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2=1429,1430,
 &end
#
#  89 LYS  H      89 LYS  QB     4.20             (#peak  1133 #SUP  0.87  #QF  0.87;)
 &rst
  ixpk= 1133, nxpk= 0, iat=1419,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2=1423,1424,
 &end
#
#  55 ASN  HD21   70 THR  H      5.12             (#peak  1136 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1136, nxpk= 0, iat= 868,1111, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#  55 ASN  HD21   76 TRP  HZ2    4.44             (#peak  1140 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 1140, nxpk= 0, iat= 868,1216, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  55 ASN  HD21   70 THR  HB     5.01             (#peak  1143 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1143, nxpk= 0, iat= 868,1115, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
#  55 ASN  HB3    55 ASN  HD21   3.89             (#peak  1144 #SUP  1.00;)
 &rst
  ixpk= 1144, nxpk= 0, iat= 864, 868, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  51 CYZN  HB2    55 ASN  HD21   5.58             (#peak  1146 #SUP  0.99  #QF  0.76;)
 &rst
  ixpk= 1146, nxpk= 0, iat= 821, 868, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,  &end
#
#  55 ASN  HD21   68 CYZN  HB2    6.16             (#peak  1146 #SUP  0.99  #QF  0.76;)
 &rst
  ixpk= 1146, nxpk= 0, iat= 868,1095, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  36 ASN  HA     36 ASN  HD21   5.36             (#peak  1148 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1148, nxpk= 0, iat= 552, 559, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#  14 ARG  H      15 VAL  HA     6.01             (#peak  1152 #SUP  0.78  #QF  0.78;)
 &rst
  ixpk= 1152, nxpk= 0, iat= 191, 217, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,  &end
#
#  50 LYS  HA     57 THR  H      4.16             (#peak  1156 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1156, nxpk= 0, iat= 797, 897, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  50 LYS  H      57 THR  H      5.61             (#peak  1157 #SUP  0.78  #QF  0.78;)
 &rst
  ixpk= 1157, nxpk= 0, iat= 795, 897, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,  &end
#
#  36 ASN  HA     36 ASN  HD22   5.64             (#peak  1159 #SUP  0.85  #QF  0.85;)
 &rst
  ixpk= 1159, nxpk= 0, iat= 552, 560, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,  &end
#
#  55 ASN  HB3    70 THR  H      5.60             (#peak  1162 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1162, nxpk= 0, iat= 864,1111, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  31 THR  HA     32 CYZN  H      3.92             (#peak  1164 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 1164, nxpk= 0, iat= 486, 498, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#  55 ASN  HB2    70 THR  H      5.49             (#peak  1168 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1168, nxpk= 0, iat= 863,1111, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#  51 CYZN  HB2    53 CYZN  H      4.79             (#peak  1169 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1169, nxpk= 0, iat= 821, 842, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#  59 SER  HB3    60 LEU  H      4.51             (#peak  1170 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 1170, nxpk= 0, iat= 935, 941, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  59 SER  H      59 SER  HB3    4.11             (#peak  1171 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1171, nxpk= 0, iat= 930, 935, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  35 GLU  HB3    36 ASN  H      4.76             (#peak  1173 #SUP  1.00;)
 &rst
  ixpk= 1173, nxpk= 0, iat= 540, 550, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#  32 CYZN  H      32 CYZN  HB2    3.55             (#peak  1177 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1177, nxpk= 0, iat= 498, 503, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#  32 CYZN  HB2    33 VAL  H      4.00             (#peak  1178 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1178, nxpk= 0, iat= 503, 508, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  52 PRO  HG3    53 CYZN  H      5.19             (#peak  1180 #SUP  1.00;)
 &rst
  ixpk= 1180, nxpk= 0, iat= 833, 842, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#  62 ARG  H      62 ARG  HG2    4.18             (#peak  1181 #SUP  1.00;)
 &rst
  ixpk= 1181, nxpk= 0, iat= 972, 979, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  78 ARG  HB3    78 ARG  HE     6.04             (#peak  1182 #SUP  1.00;)
 &rst
  ixpk= 1182, nxpk= 0, iat=1247,1255, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,  &end
#
#  78 ARG  H      78 ARG  HB3    3.38             (#peak  1183 #SUP  0.92  #QF  0.92;)
 &rst
  ixpk= 1183, nxpk= 0, iat=1242,1247, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
#  43 ASN  HB3    43 ASN  HD22   4.02             (#peak  1185 #SUP  0.68  #QF  0.68;)
 &rst
  ixpk= 1185, nxpk= 0, iat= 677, 682, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#  43 ASN  HB3    43 ASN  HD21   4.02             (#peak  1186 #SUP  0.81  #QF  0.64;)
 &rst
  ixpk= 1186, nxpk= 0, iat= 677, 681, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#  43 ASN  H      43 ASN  HB2    4.63             (#peak  1187 #SUP  1.00  #QF  0.68;)
 &rst
  ixpk= 1187, nxpk= 0, iat= 672, 676, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  51 CYZN  H      53 CYZN  H      6.16             (#peak  1188 #SUP  0.60  #QF  0.60;)
 &rst
  ixpk= 1188, nxpk= 0, iat= 817, 842, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  51 CYZN  H      56 ARG  HA     4.39             (#peak  1189 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1189, nxpk= 0, iat= 817, 875, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  53 CYZN  H      54 GLY  HA2    6.13             (#peak  1190 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 1190, nxpk= 0, iat= 842, 854, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,  &end
#
#  49 PHE  HB2    50 LYS  H      4.36             (#peak  1191 #SUP  0.99  #QF  0.92;)
 &rst
  ixpk= 1191, nxpk= 0, iat= 779, 795, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#  50 LYS  H      77 GLU  HB3    4.92             (#peak  1191 #SUP  0.99  #QF  0.92;)
 &rst
  ixpk= 1191, nxpk= 0, iat= 795,1232, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  84 GLU  HA     85 LYS  H      2.92             (#peak  1192 #SUP  0.83  #QF  0.83;)
 &rst
  ixpk= 1192, nxpk= 0, iat=1349,1362, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,  &end
#
#  76 TRP  HA     76 TRP  HE1    6.16             (#peak  1193 #SUP  0.43  #QF  0.43;)
 &rst
  ixpk= 1193, nxpk= 0, iat=1205,1213, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  34 SER  H      34 SER  HB2    3.38             (#peak  1194 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1194, nxpk= 0, iat= 524, 528, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
#  34 SER  HB2    35 GLU  H      4.57             (#peak  1195 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 1195, nxpk= 0, iat= 528, 535, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  22 LYS  HB2    23 TYR  H      4.96             (#peak  1196 #SUP  0.90  #QF  0.90;)
 &rst
  ixpk= 1196, nxpk= 0, iat= 321, 339, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  29 LYS  HG2    30 GLU  H      4.80             (#peak  1199 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1199, nxpk= 0, iat= 454, 469, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  24 THR  QG2    42 HIS  H      6.16             (#peak  1201 #SUP  0.70  #QF  0.70;)
 &rst
  ixpk= 1201, nxpk= 0, iat=  -1, 655, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
 igr1= 366, 367, 368,
 &end
#
#  50 LYS  H      77 GLU  HA     5.70             (#peak  1202 #SUP  0.78  #QF  0.78;)
 &rst
  ixpk= 1202, nxpk= 0, iat= 795,1229, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  55 ASN  HD21   69 SER  H      4.40             (#peak  1205 #SUP  0.88  #QF  0.88;)
 &rst
  ixpk= 1205, nxpk= 0, iat= 868,1100, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  25 HIS  HB2    27 LYS  H      4.21             (#peak  1209 #SUP  0.91  #QF  0.91;)
 &rst
  ixpk= 1209, nxpk= 0, iat= 378, 411, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#  18 CYZN  HA     21 CYZN  H      5.58             (#peak  1210 #SUP  0.82  #QF  0.82;)
 &rst
  ixpk= 1210, nxpk= 0, iat= 263, 307, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,  &end
#
#  18 CYZN  H      19 LYS  HA     6.16             (#peak  1212 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1212, nxpk= 0, iat= 261, 273, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  13 CYS  H      45 VAL  QG2    5.22             (#peak  1214 #SUP  0.82  #QF  0.82;)
 &rst
  ixpk= 1214, nxpk= 0, iat= 180,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2= 703, 704, 705,
 &end
#
#   8 ILE  QG2     9 ARG  H      4.18             (#peak  1215 #SUP  1.00;)
 &rst
  ixpk= 1215, nxpk= 0, iat=  -1, 113, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1= 100, 101, 102,
 &end
#
#  40 HIS  HD2    41 TRP  H      5.44             (#peak  1220 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 1220, nxpk= 0, iat= 627, 631, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
#  13 CYS  HA     14 ARG  H      3.08             (#peak  1221 #SUP  0.75  #QF  0.75;)
 &rst
  ixpk= 1221, nxpk= 0, iat= 182, 191, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
#  71 CYZN  HA     73 LEU  H      6.16             (#peak  1222 #SUP  0.74  #QF  0.74;)
 &rst
  ixpk= 1222, nxpk= 0, iat=1127,1142, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  64 PRO  HG3    76 TRP  HE1    5.71             (#peak  1224 #SUP  0.77  #QF  0.77;)
 &rst
  ixpk= 1224, nxpk= 0, iat=1020,1213, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,  &end
#
#  31 THR  H      32 CYZN  HB3    6.16             (#peak  1225 #SUP  0.87  #QF  0.87;)
 &rst
  ixpk= 1225, nxpk= 0, iat= 484, 502, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  73 LEU  H      73 LEU  QD2    4.38             (#peak  1226 #SUP  0.88  #QF  0.88;)
 &rst
  ixpk= 1226, nxpk= 0, iat=1142,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2=1155,1156,1157,
 &end
#
#  72 GLY  H      73 LEU  QD2    6.14             (#peak  1227 #SUP  1.00;)
 &rst
  ixpk= 1227, nxpk= 0, iat=1135,  -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
 igr2=1155,1156,1157,
 &end
#
#  75 LYS  H      75 LYS  QD     5.15             (#peak  1229 #SUP  1.00;)
 &rst
  ixpk= 1229, nxpk= 0, iat=1181,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2=1191,1192,
 &end
#
#  57 THR  H      76 TRP  HE3    5.49             (#peak  1231 #SUP  0.95  #QF  0.89;)
 &rst
  ixpk= 1231, nxpk= 0, iat= 897,1222, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#  57 THR  H      76 TRP  HH2    6.04             (#peak  1231 #SUP  0.95  #QF  0.89;)
 &rst
  ixpk= 1231, nxpk= 0, iat= 897,1218, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,  &end
#
#  63 LEU  QB     64 PRO  HD2    4.07             (#peak     2 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,1016, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1=1000,1001,
 &end
#
#  28 PRO  HB3    32 CYZN  HB2    5.98             (#peak     8 #SUP  0.91  #QF  0.66;)
 &rst
  ixpk= 8, nxpk= 0, iat= 441, 503, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,  &end
#
#  28 PRO  HB3    41 TRP  HZ2    5.87             (#peak    14 #SUP  0.96  #QF  0.88;)
 &rst
  ixpk= 14, nxpk= 0, iat= 441, 644, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,  &end
#
#  16 VAL  QG2    28 PRO  HB2    5.15             (#peak    16 #SUP  0.75  #QF  0.75;)
 &rst
  ixpk= 16, nxpk= 0, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr1= 241, 242, 243,
 &end
#
#  16 VAL  QG1    28 PRO  HB2    4.94             (#peak    17 #SUP  0.82  #QF  0.82;)
 &rst
  ixpk= 17, nxpk= 0, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 237, 238, 239,
 &end
#
#  28 PRO  HB2    32 CYZN  H      5.68             (#peak    25 #SUP  0.83  #QF  0.83;)
 &rst
  ixpk= 25, nxpk= 0, iat= 440, 498, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,  &end
#
#  28 PRO  HB2    39 PHE  QE     5.13             (#peak    27 #SUP  0.81  #QF  0.81;)
 &rst
  ixpk= 27, nxpk= 0, iat= 440,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 604, 608,
 &end
#
#  57 THR  QG2    64 PRO  HB2    5.08             (#peak    31 #SUP  1.00;)
 &rst
  ixpk= 31, nxpk= 0, iat=  -1,1022, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 903, 904, 905,
 &end
#
#  64 PRO  HB2    76 TRP  HD1    5.10             (#peak    37 #SUP  0.91  #QF  0.91;)
 &rst
  ixpk= 37, nxpk= 0, iat=1022,1211, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  64 PRO  HB2    76 TRP  HE1    4.79             (#peak    40 #SUP  1.00;)
 &rst
  ixpk= 40, nxpk= 0, iat=1022,1213, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#  64 PRO  HB3    76 TRP  HE1    6.05             (#peak    41 #SUP  0.92  #QF  0.92;)
 &rst
  ixpk= 41, nxpk= 0, iat=1023,1213, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  64 PRO  HB3    66 LYS  H      4.84             (#peak    43 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 43, nxpk= 0, iat=1023,1051, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#  59 SER  HA     64 PRO  HB3    5.52             (#peak    45 #SUP  0.80  #QF  0.80;)
 &rst
  ixpk= 45, nxpk= 0, iat= 932,1023, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,  &end
#
#  57 THR  QG2    64 PRO  HG2    4.59             (#peak    51 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 51, nxpk= 0, iat=  -1,1019, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 903, 904, 905,
 &end
#
#  64 PRO  HG2    76 TRP  HB3    5.43             (#peak    57 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 57, nxpk= 0, iat=1019,1208, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#  49 PHE  QD     64 PRO  HG2    6.16             (#peak    59 #SUP  1.00  #QF  0.97;)
 &rst
  ixpk= 59, nxpk= 0, iat=  -1,1019, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1= 783, 791,
 &end
#
#  64 PRO  HG2    76 TRP  H      6.16             (#peak    59 #SUP  1.00  #QF  0.97;)
 &rst
  ixpk= 59, nxpk= 0, iat=1019,1203, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  46 LYS  HA     58 ILE  QG2    4.98             (#peak    77 #SUP  1.00;)
 &rst
  ixpk= 77, nxpk= 0, iat= 711,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2= 917, 918, 919,
 &end
#
#  47 ARG  HA     58 ILE  QG2    5.39             (#peak    77 #SUP  1.00;)
 &rst
  ixpk= 77, nxpk= 0, iat= 733,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr2= 917, 918, 919,
 &end
#
#  58 ILE  QG2    59 SER  HA     4.48             (#peak    78 #SUP  1.00;)
 &rst
  ixpk= 78, nxpk= 0, iat=  -1, 932, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 917, 918, 919,
 &end
#
#  49 PHE  H      58 ILE  QG2    5.16             (#peak    84 #SUP  0.96  #QF  0.94;)
 &rst
  ixpk= 84, nxpk= 0, iat= 775,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr2= 917, 918, 919,
 &end
#
#   8 ILE  HA      8 ILE  QD1    4.10             (#peak    92 #SUP  1.00;)
 &rst
  ixpk= 92, nxpk= 0, iat=  96,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 107, 108, 109,
 &end
#
#   7 SER  HA      8 ILE  QD1    4.69             (#peak    93 #SUP  0.70  #QF  0.70;)
 &rst
  ixpk= 93, nxpk= 0, iat=  85,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 107, 108, 109,
 &end
#
#   8 ILE  H       8 ILE  QD1    4.75             (#peak    95 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 95, nxpk= 0, iat=  94,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 107, 108, 109,
 &end
#
#  58 ILE  HB     58 ILE  QD1    3.49             (#peak    97 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 97, nxpk= 0, iat= 915,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2= 924, 925, 926,
 &end
#
#  48 PHE  QB     58 ILE  QD1    4.59             (#peak    99 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 99, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
 igr1= 759, 760,
 igr2= 924, 925, 926,
 &end
#
#  57 THR  HA     58 ILE  QD1    5.19             (#peak   100 #SUP  0.80  #QF  0.80;)
 &rst
  ixpk= 100, nxpk= 0, iat= 899,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr2= 924, 925, 926,
 &end
#
#  58 ILE  HA     58 ILE  QD1    4.61             (#peak   102 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 102, nxpk= 0, iat= 913,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 924, 925, 926,
 &end
#
#  26 PHE  QE     58 ILE  QD1    5.02             (#peak   103 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 103, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
 igr1= 401, 405,
 igr2= 924, 925, 926,
 &end
#
#  48 PHE  QD     58 ILE  QD1    3.88             (#peak   104 #SUP  1.00  #QF  0.95;)
 &rst
  ixpk= 104, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 763, 771,
 igr2= 924, 925, 926,
 &end
#
#  26 PHE  QD     58 ILE  QD1    5.64             (#peak   105 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 105, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
 igr1= 399, 407,
 igr2= 924, 925, 926,
 &end
#
#  58 ILE  H      58 ILE  QD1    4.96             (#peak   106 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 106, nxpk= 0, iat= 911,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2= 924, 925, 926,
 &end
#
#  49 PHE  H      58 ILE  QD1    5.70             (#peak   107 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 107, nxpk= 0, iat= 775,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr2= 924, 925, 926,
 &end
#
#  58 ILE  QD1    59 SER  H      5.77             (#peak   108 #SUP  0.72  #QF  0.72;)
 &rst
  ixpk= 108, nxpk= 0, iat=  -1, 930, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 924, 925, 926,
 &end
#
#   8 ILE  QG2    10 GLU  HB2    5.11             (#peak   111 #SUP  0.83  #QF  0.83;)
 &rst
  ixpk= 111, nxpk= 0, iat=  -1, 141, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1= 100, 101, 102,
 &end
#
#   8 ILE  QG2    10 GLU  QG     4.44             (#peak   112 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 112, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 100, 101, 102,
 igr2= 144, 145,
 &end
#
#   8 ILE  QG2    10 GLU  H      3.90             (#peak   118 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 118, nxpk= 0, iat=  -1, 137, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 100, 101, 102,
 &end
#
#  50 LYS  QB     79 VAL  QG2    3.38             (#peak   121 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 121, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 799, 800,
 igr2=1276,1277,1278,
 &end
#
#  50 LYS  HG2    79 VAL  QG2    5.67             (#peak   123 #SUP  0.87  #QF  0.87;)
 &rst
  ixpk= 123, nxpk= 0, iat= 802,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2=1276,1277,1278,
 &end
#
#  48 PHE  QB     79 VAL  QG2    3.46             (#peak   124 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 124, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 759, 760,
 igr2=1276,1277,1278,
 &end
#
#  49 PHE  HB3    79 VAL  QG2    4.92             (#peak   125 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 125, nxpk= 0, iat= 780,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr2=1276,1277,1278,
 &end
#
#  78 ARG  HA     79 VAL  QG2    4.29             (#peak   128 #SUP  1.00;)
 &rst
  ixpk= 128, nxpk= 0, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2=1276,1277,1278,
 &end
#
#  79 VAL  HA     79 VAL  QG2    3.70             (#peak   129 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 129, nxpk= 0, iat=1268,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2=1276,1277,1278,
 &end
#
#  48 PHE  HA     79 VAL  QG2    5.00             (#peak   130 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 130, nxpk= 0, iat= 757,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1276,1277,1278,
 &end
#
#  49 PHE  HA     79 VAL  QG2    3.85             (#peak   131 #SUP  1.00;)
 &rst
  ixpk= 131, nxpk= 0, iat= 777,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2=1276,1277,1278,
 &end
#
#  49 PHE  QD     79 VAL  QG2    5.47             (#peak   132 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 132, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
 igr1= 783, 791,
 igr2=1276,1277,1278,
 &end
#
#  79 VAL  H      79 VAL  QG2    3.49             (#peak   134 #SUP  1.00;)
 &rst
  ixpk= 134, nxpk= 0, iat=1266,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2=1276,1277,1278,
 &end
#
#  50 LYS  H      79 VAL  QG2    4.18             (#peak   137 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 137, nxpk= 0, iat= 795,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2=1276,1277,1278,
 &end
#
#  20 THR  QG2    21 CYZN  H      4.30             (#peak   146 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 146, nxpk= 0, iat=  -1, 307, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 299, 300, 301,
 &end
#
#  17 THR  QG2    22 LYS  H      5.19             (#peak   148 #SUP  0.80  #QF  0.80;)
 &rst
  ixpk= 148, nxpk= 0, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1= 253, 254, 255,
 &end
#
#  17 THR  QG2    19 LYS  HA     4.29             (#peak   155 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 155, nxpk= 0, iat=  -1, 273, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 253, 254, 255,
 &end
#
#  17 THR  QG2    19 LYS  QE     5.44             (#peak   157 #SUP  0.80  #QF  0.49;)
 &rst
  ixpk= 157, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1= 253, 254, 255,
 igr2= 284, 285,
 &end
#
#  17 THR  QG2    39 PHE  HB3    5.94             (#peak   157 #SUP  0.80  #QF  0.49;)
 &rst
  ixpk= 157, nxpk= 0, iat=  -1, 599, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr1= 253, 254, 255,
 &end
#
#  17 THR  QG2    18 CYZN  HB3    5.34             (#peak   158 #SUP  0.67  #QF  0.67;)
 &rst
  ixpk= 158, nxpk= 0, iat=  -1, 265, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr1= 253, 254, 255,
 &end
#
#  16 VAL  QG2    17 THR  QG2    5.19             (#peak   160 #SUP  0.65  #QF  0.65;)
 &rst
  ixpk= 160, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99,
 igr1= 241, 242, 243,
 igr2= 253, 254, 255,
 &end
#
#  15 VAL  QG2    24 THR  QG2    3.28             (#peak   161 #SUP  1.00;)
 &rst
  ixpk= 161, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 225, 226, 227,
 igr2= 366, 367, 368,
 &end
#
#  15 VAL  HB     24 THR  QG2    3.70             (#peak   164 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 164, nxpk= 0, iat= 219,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 366, 367, 368,
 &end
#
#  24 THR  QG2    60 LEU  HB2    4.64             (#peak   165 #SUP  0.87  #QF  0.66;)
 &rst
  ixpk= 165, nxpk= 0, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 366, 367, 368,
 &end
#
#  24 THR  QG2    60 LEU  HB3    4.91             (#peak   165 #SUP  0.87  #QF  0.66;)
 &rst
  ixpk= 165, nxpk= 0, iat=  -1, 946, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 366, 367, 368,
 &end
#
#  16 VAL  HA     24 THR  QG2    5.49             (#peak   167 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 167, nxpk= 0, iat= 233,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr2= 366, 367, 368,
 &end
#
#  24 THR  QG2    25 HIS  HA     4.69             (#peak   169 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 169, nxpk= 0, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 366, 367, 368,
 &end
#
#  24 THR  HA     24 THR  QG2    3.65             (#peak   171 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 171, nxpk= 0, iat= 362,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 366, 367, 368,
 &end
#
#  23 TYR  QD     24 THR  QG2    5.67             (#peak   172 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 172, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 347, 356,
 igr2= 366, 367, 368,
 &end
#
#  50 LYS  H      79 VAL  QG1    4.38             (#peak   177 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 177, nxpk= 0, iat= 795,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2=1272,1273,1274,
 &end
#
#  49 PHE  HA     79 VAL  QG1    4.52             (#peak   181 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 181, nxpk= 0, iat= 777,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2=1272,1273,1274,
 &end
#
#  78 ARG  HA     79 VAL  QG1    5.03             (#peak   183 #SUP  0.82  #QF  0.82;)
 &rst
  ixpk= 183, nxpk= 0, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr2=1272,1273,1274,
 &end
#
#  50 LYS  QE     79 VAL  QG1    5.16             (#peak   184 #SUP  0.80  #QF  0.80;)
 &rst
  ixpk= 184, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1= 808, 809,
 igr2=1272,1273,1274,
 &end
#
#  48 PHE  QB     79 VAL  QG1    5.50             (#peak   185 #SUP  0.59  #QF  0.59;)
 &rst
  ixpk= 185, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 759, 760,
 igr2=1272,1273,1274,
 &end
#
#  77 GLU  HG3    79 VAL  QG1    5.17             (#peak   186 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 186, nxpk= 0, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr2=1272,1273,1274,
 &end
#
#  50 LYS  QB     79 VAL  QG1    3.42             (#peak   188 #SUP  1.00  #QF  0.96;)
 &rst
  ixpk= 188, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 799, 800,
 igr2=1272,1273,1274,
 &end
#
#  50 LYS  HG3    79 VAL  QG1    4.89             (#peak   189 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 189, nxpk= 0, iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2=1272,1273,1274,
 &end
#
#  10 GLU  QG     45 VAL  QG1    4.70             (#peak   191 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 191, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 144, 145,
 igr2= 699, 700, 701,
 &end
#
#  12 SER  QB     45 VAL  QG1    5.41             (#peak   193 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 193, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
 igr1= 173, 174,
 igr2= 699, 700, 701,
 &end
#
#  45 VAL  HA     45 VAL  QG1    3.61             (#peak   194 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 194, nxpk= 0, iat= 695,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2= 699, 700, 701,
 &end
#
#  45 VAL  H      45 VAL  QG1    4.54             (#peak   196 #SUP  0.81  #QF  0.81;)
 &rst
  ixpk= 196, nxpk= 0, iat= 693,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr2= 699, 700, 701,
 &end
#
#  13 CYS  H      45 VAL  QG1    5.22             (#peak   197 #SUP  0.99  #QF  0.42;)
 &rst
  ixpk= 197, nxpk= 0, iat= 180,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2= 699, 700, 701,
 &end
#
#  45 VAL  QG2    46 LYS  H      4.48             (#peak   198 #SUP  1.00;)
 &rst
  ixpk= 198, nxpk= 0, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 703, 704, 705,
 &end
#
#  12 SER  HA     45 VAL  QG2    4.86             (#peak   200 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 200, nxpk= 0, iat= 171,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 703, 704, 705,
 &end
#
#  45 VAL  HA     45 VAL  QG2    3.61             (#peak   202 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 202, nxpk= 0, iat= 695,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2= 703, 704, 705,
 &end
#
#  10 GLU  HB2    45 VAL  QG2    5.33             (#peak   207 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 207, nxpk= 0, iat= 141,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr2= 703, 704, 705,
 &end
#
#  16 VAL  QG1    24 THR  QG2    4.89             (#peak   211 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 211, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr1= 237, 238, 239,
 igr2= 366, 367, 368,
 &end
#
#  16 VAL  QG1    28 PRO  HB3    4.10             (#peak   212 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 212, nxpk= 0, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 237, 238, 239,
 &end
#
#  57 THR  QG2    64 PRO  HB3    4.23             (#peak   214 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 214, nxpk= 0, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 903, 904, 905,
 &end
#
#  49 PHE  HB3    57 THR  QG2    4.16             (#peak   216 #SUP  0.84  #QF  0.84;)
 &rst
  ixpk= 216, nxpk= 0, iat= 780,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2= 903, 904, 905,
 &end
#
#  57 THR  QG2    76 TRP  HB3    4.69             (#peak   217 #SUP  0.59  #QF  0.59;)
 &rst
  ixpk= 217, nxpk= 0, iat=  -1,1208, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 903, 904, 905,
 &end
#
#  16 VAL  QG1    28 PRO  HD3    3.77             (#peak   219 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 219, nxpk= 0, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 237, 238, 239,
 &end
#
#  16 VAL  QG1    28 PRO  HA     3.66             (#peak   220 #SUP  1.00  #QF  0.86;)
 &rst
  ixpk= 220, nxpk= 0, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 237, 238, 239,
 &end
#
#  16 VAL  QG1    27 LYS  HA     3.51             (#peak   221 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 221, nxpk= 0, iat=  -1, 413, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1= 237, 238, 239,
 &end
#
#  15 VAL  HB     16 VAL  QG1    4.50             (#peak   231 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 231, nxpk= 0, iat= 219,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 237, 238, 239,
 &end
#
#  16 VAL  QG1    27 LYS  QD     5.34             (#peak   232 #SUP  0.98  #QF  0.24;)
 &rst
  ixpk= 232, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1= 237, 238, 239,
 igr2= 421, 422,
 &end
#
#  15 VAL  QG2    44 GLY  HA3    3.94             (#peak   236 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 236, nxpk= 0, iat=  -1, 689, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 225, 226, 227,
 &end
#
#  15 VAL  QG2    16 VAL  HA     4.76             (#peak   237 #SUP  0.95  #QF  0.83;)
 &rst
  ixpk= 237, nxpk= 0, iat=  -1, 233, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 225, 226, 227,
 &end
#
#  15 VAL  HA     15 VAL  QG2    4.10             (#peak   238 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 238, nxpk= 0, iat= 217,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 225, 226, 227,
 &end
#
#  28 PRO  HG2    33 VAL  QG2    5.15             (#peak   252 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 252, nxpk= 0, iat= 437,  -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr2= 518, 519, 520,
 &end
#
#  33 VAL  QG2    39 PHE  HZ     3.82             (#peak   255 #SUP  0.63  #QF  0.63;)
 &rst
  ixpk= 255, nxpk= 0, iat=  -1, 606, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 518, 519, 520,
 &end
#
#  33 VAL  QG2    36 ASN  H      6.16             (#peak   257 #SUP  0.76  #QF  0.76;)
 &rst
  ixpk= 257, nxpk= 0, iat=  -1, 550, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
 igr1= 518, 519, 520,
 &end
#
#  28 PRO  HG2    33 VAL  QG1    5.15             (#peak   266 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 266, nxpk= 0, iat= 437,  -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr2= 514, 515, 516,
 &end
#
#  73 LEU  QD2    75 LYS  HG3    4.28             (#peak   273 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 273, nxpk= 0, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=1155,1156,1157,
 &end
#
#  70 THR  QG2    71 CYZN  H      4.22             (#peak   278 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 278, nxpk= 0, iat=  -1,1125, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1=1117,1118,1119,
 &end
#
#  55 ASN  HA     70 THR  QG2    4.66             (#peak   280 #SUP  0.89  #QF  0.89;)
 &rst
  ixpk= 280, nxpk= 0, iat= 861,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2=1117,1118,1119,
 &end
#
#  70 THR  QG2    71 CYZN  HA     4.47             (#peak   281 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 281, nxpk= 0, iat=  -1,1127, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1=1117,1118,1119,
 &end
#
#  55 ASN  HB2    70 THR  QG2    4.85             (#peak   284 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 284, nxpk= 0, iat= 863,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr2=1117,1118,1119,
 &end
#
#  70 THR  QG2    71 CYZN  HB3    4.29             (#peak   285 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 285, nxpk= 0, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1=1117,1118,1119,
 &end
#
#  30 GLU  QB     31 THR  QG2    4.55             (#peak   287 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 287, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr1= 473, 474,
 igr2= 490, 491, 492,
 &end
#
#  66 LYS  HG3    66 LYS  QE     4.63             (#peak   296 #SUP  0.99  #QF  0.30;)
 &rst
  ixpk= 296, nxpk= 0, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2=1064,1065,
 &end
#
#  85 LYS  QG     85 LYS  QE     4.64             (#peak   297 #SUP  0.99  #QF  0.35;)
 &rst
  ixpk= 297, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1=1369,1370,
 igr2=1375,1376,
 &end
#
#  20 THR  HB     37 HIZ+  HA     5.23             (#peak   317 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 317, nxpk= 0, iat= 297, 566, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
#  20 THR  HB     37 HIZ+  HB2    5.15             (#peak   319 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 319, nxpk= 0, iat= 297, 568, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#  20 THR  HB     21 CYZN  HB2    5.75             (#peak   320 #SUP  0.98  #QF  0.89;)
 &rst
  ixpk= 320, nxpk= 0, iat= 297, 312, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,  &end
#
#  20 THR  HB     38 ASP  HB2    6.16             (#peak   320 #SUP  0.98  #QF  0.89;)
 &rst
  ixpk= 320, nxpk= 0, iat= 297, 586, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  56 ARG  HA     57 THR  HB     5.24             (#peak   323 #SUP  0.91  #QF  0.91;)
 &rst
  ixpk= 323, nxpk= 0, iat= 875, 901, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#  24 THR  HB     60 LEU  HB3    5.51             (#peak   330 #SUP  0.88  #QF  0.88;)
 &rst
  ixpk= 330, nxpk= 0, iat= 364, 946, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,  &end
#
#  16 VAL  HA     17 THR  HB     5.06             (#peak   336 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 336, nxpk= 0, iat= 233, 251, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#  17 THR  HB     40 HIS  HB2    4.48             (#peak   337 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 337, nxpk= 0, iat= 251, 618, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#  55 ASN  HB3    70 THR  HB     4.92             (#peak   344 #SUP  1.00;)
 &rst
  ixpk= 344, nxpk= 0, iat= 864,1115, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  55 ASN  HB2    70 THR  HB     4.60             (#peak   345 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 345, nxpk= 0, iat= 863,1115, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  55 ASN  HA     70 THR  HB     5.77             (#peak   348 #SUP  1.00;)
 &rst
  ixpk= 348, nxpk= 0, iat= 861,1115, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,  &end
#
#  70 THR  HB     72 GLY  H      5.58             (#peak   351 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 351, nxpk= 0, iat=1115,1135, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,  &end
#
#  31 THR  H      31 THR  HB     4.26             (#peak   354 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 354, nxpk= 0, iat= 484, 488, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  31 THR  HB     35 GLU  H      6.16             (#peak   356 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 356, nxpk= 0, iat= 488, 535, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  31 THR  HB     32 CYZN  H      4.44             (#peak   357 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 357, nxpk= 0, iat= 488, 498, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  31 THR  HB     35 GLU  HG2    5.38             (#peak   359 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 359, nxpk= 0, iat= 488, 542, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#  31 THR  HB     35 GLU  HG3    5.38             (#peak   360 #SUP  0.87  #QF  0.87;)
 &rst
  ixpk= 360, nxpk= 0, iat= 488, 543, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#  29 LYS  QD     31 THR  HB     6.16             (#peak   362 #SUP  0.91  #QF  0.27;)
 &rst
  ixpk= 362, nxpk= 0, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1= 457, 458,
 &end
#
#  31 THR  HB     35 GLU  HB2    6.16             (#peak   362 #SUP  0.91  #QF  0.27;)
 &rst
  ixpk= 362, nxpk= 0, iat= 488, 539, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  20 THR  HA     22 LYS  QG     5.52             (#peak   365 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 365, nxpk= 0, iat= 295,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr2= 324, 325,
 &end
#
#  19 LYS  HB2    20 THR  HA     5.13             (#peak   366 #SUP  0.90  #QF  0.90;)
 &rst
  ixpk= 366, nxpk= 0, iat= 275, 295, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#  19 LYS  H      20 THR  HA     5.62             (#peak   372 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 372, nxpk= 0, iat= 271, 295, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,  &end
#
#  59 SER  HB3    63 LEU  HA     5.10             (#peak   380 #SUP  1.00  #QF  0.56;)
 &rst
  ixpk= 380, nxpk= 0, iat= 935, 998, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  47 ARG  H      59 SER  HB3    5.57             (#peak   382 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 382, nxpk= 0, iat= 731, 935, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,  &end
#
#  59 SER  HB2    61 ASP  H      5.13             (#peak   388 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 388, nxpk= 0, iat= 934, 960, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#  47 ARG  H      59 SER  HB2    6.16             (#peak   389 #SUP  0.95  #QF  0.58;)
 &rst
  ixpk= 389, nxpk= 0, iat= 731, 934, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  59 SER  HB2    65 LYS  H      6.16             (#peak   389 #SUP  0.95  #QF  0.58;)
 &rst
  ixpk= 389, nxpk= 0, iat= 934,1029, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  49 PHE  QE     59 SER  HB2    4.12             (#peak   390 #SUP  1.00;)
 &rst
  ixpk= 390, nxpk= 0, iat=  -1, 934, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 785, 789,
 &end
#
#  49 PHE  QD     59 SER  HB2    4.85             (#peak   391 #SUP  1.00;)
 &rst
  ixpk= 391, nxpk= 0, iat=  -1, 934, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 783, 791,
 &end
#
#  59 SER  HB2    64 PRO  HB3    5.01             (#peak   393 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 393, nxpk= 0, iat= 934,1023, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
#  47 ARG  QG     59 SER  HB3    5.38             (#peak   394 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 394, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 738, 739,
 &end
#
#  59 SER  HB3    64 PRO  HG3    5.29             (#peak   395 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 395, nxpk= 0, iat= 935,1020, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#  59 SER  HB3    64 PRO  HG2    6.16             (#peak   396 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 396, nxpk= 0, iat= 935,1019, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  59 SER  HB2    64 PRO  HG2    5.48             (#peak   397 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 397, nxpk= 0, iat= 934,1019, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
#  59 SER  HB2    64 PRO  HG3    4.98             (#peak   399 #SUP  1.00;)
 &rst
  ixpk= 399, nxpk= 0, iat= 934,1020, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#  32 CYZN  HB2    33 VAL  HA     5.35             (#peak   400 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 400, nxpk= 0, iat= 503, 510, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#  28 PRO  HB2    33 VAL  HA     5.67             (#peak   401 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 401, nxpk= 0, iat= 440, 510, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,  &end
#
#  33 VAL  HA     36 ASN  HA     4.92             (#peak   404 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 404, nxpk= 0, iat= 510, 552, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  32 CYZN  H      33 VAL  HA     5.75             (#peak   405 #SUP  0.91  #QF  0.91;)
 &rst
  ixpk= 405, nxpk= 0, iat= 498, 510, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,  &end
#
#  70 THR  HA     72 GLY  H      6.16             (#peak   409 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 409, nxpk= 0, iat=1113,1135, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  50 LYS  QE     52 PRO  HA     5.52             (#peak   411 #SUP  0.62  #QF  0.62;)
 &rst
  ixpk= 411, nxpk= 0, iat=  -1, 838, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 808, 809,
 &end
#
#  51 CYZN  HB3    52 PRO  HA     6.16             (#peak   412 #SUP  0.82  #QF  0.51;)
 &rst
  ixpk= 412, nxpk= 0, iat= 822, 838, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  55 ASN  HB2    70 THR  HA     6.16             (#peak   412 #SUP  0.82  #QF  0.51;)
 &rst
  ixpk= 412, nxpk= 0, iat= 863,1113, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  70 THR  HA     70 THR  QG2    3.30             (#peak   416 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 416, nxpk= 0, iat=1113,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2=1117,1118,1119,
 &end
#
#  12 SER  HA     12 SER  QB     3.27             (#peak   427 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 427, nxpk= 0, iat= 171,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr2= 173, 174,
 &end
#
#  12 SER  QB     45 VAL  HA     5.41             (#peak   429 #SUP  0.77  #QF  0.77;)
 &rst
  ixpk= 429, nxpk= 0, iat=  -1, 695, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 173, 174,
 &end
#
#  12 SER  QB     43 ASN  HB3    4.76             (#peak   430 #SUP  0.89  #QF  0.89;)
 &rst
  ixpk= 430, nxpk= 0, iat=  -1, 677, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 173, 174,
 &end
#
#  12 SER  QB     43 ASN  HD21   6.16             (#peak   433 #SUP  0.67  #QF  0.67;)
 &rst
  ixpk= 433, nxpk= 0, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1= 173, 174,
 &end
#
#  12 SER  H      12 SER  QB     3.21             (#peak   434 #SUP  0.86  #QF  0.86;)
 &rst
  ixpk= 434, nxpk= 0, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 173, 174,
 &end
#
#   7 SER  QB      8 ILE  H      3.90             (#peak   436 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 436, nxpk= 0, iat=  -1,  94, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1=  87,  88,
 &end
#
#   6 GLN  H       7 SER  QB     6.16             (#peak   437 #SUP  0.68  #QF  0.39;)
 &rst
  ixpk= 437, nxpk= 0, iat=  66,  -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr2=  87,  88,
 &end
#
#   7 SER  QB      9 ARG  H      6.16             (#peak   437 #SUP  0.68  #QF  0.39;)
 &rst
  ixpk= 437, nxpk= 0, iat=  -1, 113, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1=  87,  88,
 &end
#
#   7 SER  HA      7 SER  QB     3.21             (#peak   439 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 439, nxpk= 0, iat=  85,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=  87,  88,
 &end
#
#   7 SER  QB      8 ILE  QD1    4.70             (#peak   443 #SUP  0.89  #QF  0.89;)
 &rst
  ixpk= 443, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1=  87,  88,
 igr2= 107, 108, 109,
 &end
#
#  64 PRO  HA     66 LYS  HG3    5.75             (#peak   456 #SUP  0.52  #QF  0.52;)
 &rst
  ixpk= 456, nxpk= 0, iat=1025,1059, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,  &end
#
#  64 PRO  HA     65 LYS  QB     5.45             (#peak   461 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 461, nxpk= 0, iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2=1033,1034,
 &end
#
#  59 SER  HB2    64 PRO  HA     4.37             (#peak   463 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 463, nxpk= 0, iat= 934,1025, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#  64 PRO  HA     66 LYS  H      4.82             (#peak   464 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 464, nxpk= 0, iat=1025,1051, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#  63 LEU  H      64 PRO  HA     5.29             (#peak   465 #SUP  0.74  #QF  0.74;)
 &rst
  ixpk= 465, nxpk= 0, iat= 996,1025, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#  68 CYZN  HA     76 TRP  HE1    5.33             (#peak   466 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 466, nxpk= 0, iat=1092,1213, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#  55 ASN  HD21   68 CYZN  HA     4.68             (#peak   469 #SUP  0.91  #QF  0.91;)
 &rst
  ixpk= 469, nxpk= 0, iat= 868,1092, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#  55 ASN  HD22   68 CYZN  HA     5.22             (#peak   471 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 471, nxpk= 0, iat= 869,1092, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
#  68 CYZN  HA     69 SER  HA     4.94             (#peak   472 #SUP  0.89  #QF  0.89;)
 &rst
  ixpk= 472, nxpk= 0, iat=1092,1102, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#  69 SER  HA     71 CYZN  H      5.23             (#peak   478 #SUP  0.79  #QF  0.79;)
 &rst
  ixpk= 478, nxpk= 0, iat=1102,1125, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
#  69 SER  HA     72 GLY  H      5.30             (#peak   479 #SUP  0.79  #QF  0.79;)
 &rst
  ixpk= 479, nxpk= 0, iat=1102,1135, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#   8 ILE  HA      8 ILE  QG2    3.43             (#peak   482 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 482, nxpk= 0, iat=  96,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2= 100, 101, 102,
 &end
#
#   8 ILE  HA      8 ILE  HG13   4.33             (#peak   483 #SUP  0.87  #QF  0.87;)
 &rst
  ixpk= 483, nxpk= 0, iat=  96, 105, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#   8 ILE  HA      8 ILE  HG12   4.33             (#peak   484 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 484, nxpk= 0, iat=  96, 104, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#   8 ILE  HA      9 ARG  HG2    5.36             (#peak   485 #SUP  0.71  #QF  0.71;)
 &rst
  ixpk= 485, nxpk= 0, iat=  96, 120, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#  33 VAL  HB     34 SER  HA     4.94             (#peak   487 #SUP  0.83  #QF  0.83;)
 &rst
  ixpk= 487, nxpk= 0, iat= 512, 526, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#  67 HIS  HA     67 HIS  HD2    4.41             (#peak   498 #SUP  0.95  #QF  0.40;)
 &rst
  ixpk= 498, nxpk= 0, iat=1075,1086, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#  51 CYZN  HA     76 TRP  HE3    5.01             (#peak   498 #SUP  0.95  #QF  0.40;)
 &rst
  ixpk= 498, nxpk= 0, iat= 819,1222, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
#  67 HIS  HA     74 PHE  QE     4.54             (#peak   500 #SUP  0.56  #QF  0.56;)
 &rst
  ixpk= 500, nxpk= 0, iat=1075,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2=1171,1175,
 &end
#
#  67 HIS  HA     76 TRP  HD1    5.53             (#peak   501 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 501, nxpk= 0, iat=1075,1211, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,  &end
#
#  50 LYS  HA     51 CYZN  HA     5.20             (#peak   502 #SUP  1.00;)
 &rst
  ixpk= 502, nxpk= 0, iat= 797, 819, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  67 HIS  HA     74 PHE  HA     4.14             (#peak   503 #SUP  0.74  #QF  0.74;)
 &rst
  ixpk= 503, nxpk= 0, iat=1075,1163, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  51 CYZN  HA     52 PRO  HD3    3.44             (#peak   504 #SUP  0.92  #QF  0.92;)
 &rst
  ixpk= 504, nxpk= 0, iat= 819, 830, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#  51 CYZN  HA     75 LYS  HB2    6.08             (#peak   509 #SUP  0.99  #QF  0.90;)
 &rst
  ixpk= 509, nxpk= 0, iat= 819,1185, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,  &end
#
#  50 LYS  QB     51 CYZN  HA     6.03             (#peak   510 #SUP  0.96  #QF  0.69;)
 &rst
  ixpk= 510, nxpk= 0, iat=  -1, 819, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
 igr1= 799, 800,
 &end
#
#  66 LYS  QD     67 HIS  HA     6.16             (#peak   510 #SUP  0.96  #QF  0.69;)
 &rst
  ixpk= 510, nxpk= 0, iat=  -1,1075, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1=1061,1062,
 &end
#
#  51 CYZN  HA     75 LYS  HB3    6.16             (#peak   512 #SUP  0.90  #QF  0.90;)
 &rst
  ixpk= 512, nxpk= 0, iat= 819,1186, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  75 LYS  H      76 TRP  HA     5.42             (#peak   515 #SUP  0.86  #QF  0.86;)
 &rst
  ixpk= 515, nxpk= 0, iat=1181,1205, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
#  50 LYS  H      78 ARG  HA     5.19             (#peak   521 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 521, nxpk= 0, iat= 795,1244, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#  49 PHE  HA     78 ARG  HA     3.95             (#peak   525 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 525, nxpk= 0, iat= 777,1244, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  78 ARG  HA     78 ARG  QG     3.83             (#peak   528 #SUP  1.00;)
 &rst
  ixpk= 528, nxpk= 0, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2=1249,1250,
 &end
#
#  29 LYS  HA     29 LYS  HG3    4.26             (#peak   530 #SUP  0.93  #QF  0.71;)
 &rst
  ixpk= 530, nxpk= 0, iat= 449, 455, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  49 PHE  HA     49 PHE  QE     5.88             (#peak   540 #SUP  1.00;)
 &rst
  ixpk= 540, nxpk= 0, iat= 777,  -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr2= 785, 789,
 &end
#
#  49 PHE  HA     76 TRP  HE3    6.16             (#peak   540 #SUP  1.00;)
 &rst
  ixpk= 540, nxpk= 0, iat= 777,1222, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  48 PHE  HA     49 PHE  HA     5.30             (#peak   542 #SUP  0.89  #QF  0.89;)
 &rst
  ixpk= 542, nxpk= 0, iat= 757, 777, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  48 PHE  QB     49 PHE  HA     5.23             (#peak   545 #SUP  0.99  #QF  0.98;)
 &rst
  ixpk= 545, nxpk= 0, iat=  -1, 777, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 759, 760,
 &end
#
#  49 PHE  HA     50 LYS  QB     4.56             (#peak   547 #SUP  1.00;)
 &rst
  ixpk= 547, nxpk= 0, iat= 777,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 799, 800,
 &end
#
#  49 PHE  HA     78 ARG  QG     5.58             (#peak   548 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 548, nxpk= 0, iat= 777,  -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr2=1249,1250,
 &end
#
#  17 THR  H      41 TRP  HA     4.55             (#peak   555 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 555, nxpk= 0, iat= 247, 633, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#  41 TRP  HA     42 HIS  HA     5.20             (#peak   558 #SUP  0.90  #QF  0.90;)
 &rst
  ixpk= 558, nxpk= 0, iat= 633, 657, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  16 VAL  HB     41 TRP  HA     4.66             (#peak   561 #SUP  1.00;)
 &rst
  ixpk= 561, nxpk= 0, iat= 235, 633, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#  16 VAL  QG2    41 TRP  HA     4.37             (#peak   562 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 562, nxpk= 0, iat=  -1, 633, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 241, 242, 243,
 &end
#
#  23 TYR  HA     23 TYR  QD     4.17             (#peak   564 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 564, nxpk= 0, iat= 341,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 347, 356,
 &end
#
#  23 TYR  HA     24 THR  HB     5.41             (#peak   566 #SUP  0.86  #QF  0.86;)
 &rst
  ixpk= 566, nxpk= 0, iat= 341, 364, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
#  17 THR  QG2    23 TYR  HA     5.24             (#peak   569 #SUP  0.89  #QF  0.89;)
 &rst
  ixpk= 569, nxpk= 0, iat=  -1, 341, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 253, 254, 255,
 &end
#
#  14 ARG  HA     14 ARG  QG     3.49             (#peak   570 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 570, nxpk= 0, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 198, 199,
 &end
#
#  14 ARG  HA     15 VAL  QG2    4.23             (#peak   573 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 573, nxpk= 0, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 225, 226, 227,
 &end
#
#  60 LEU  HA     60 LEU  QD2    4.50             (#peak   576 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 576, nxpk= 0, iat= 943,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 954, 955, 956,
 &end
#
#  60 LEU  HA     60 LEU  HG     4.27             (#peak   577 #SUP  0.91  #QF  0.91;)
 &rst
  ixpk= 577, nxpk= 0, iat= 943, 948, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#  42 HIS  HA     42 HIS  QB     3.27             (#peak   582 #SUP  0.88  #QF  0.88;)
 &rst
  ixpk= 582, nxpk= 0, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr2= 659, 660,
 &end
#
#  41 TRP  QB     42 HIS  HA     5.35             (#peak   583 #SUP  0.95  #QF  0.23;)
 &rst
  ixpk= 583, nxpk= 0, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr1= 635, 636,
 &end
#
#  14 ARG  QG     42 HIS  HA     5.12             (#peak   584 #SUP  0.89  #QF  0.89;)
 &rst
  ixpk= 584, nxpk= 0, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 198, 199,
 &end
#
#  15 VAL  QG2    42 HIS  HA     5.42             (#peak   585 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 585, nxpk= 0, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 225, 226, 227,
 &end
#
#  76 TRP  HA     77 GLU  HA     5.19             (#peak   588 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 588, nxpk= 0, iat=1205,1229, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#  77 GLU  HA     78 ARG  HA     5.07             (#peak   589 #SUP  0.85  #QF  0.85;)
 &rst
  ixpk= 589, nxpk= 0, iat=1229,1244, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  36 ASN  HA     39 PHE  QE     6.08             (#peak   598 #SUP  0.84  #QF  0.84;)
 &rst
  ixpk= 598, nxpk= 0, iat= 552,  -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr2= 604, 608,
 &end
#
#  36 ASN  HA     37 HIZ+  HD2    6.01             (#peak   599 #SUP  0.87  #QF  0.87;)
 &rst
  ixpk= 599, nxpk= 0, iat= 552, 575, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,  &end
#
#  75 LYS  HA     75 LYS  QD     3.72             (#peak   605 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 605, nxpk= 0, iat=1183,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2=1191,1192,
 &end
#
#  75 LYS  HA     75 LYS  HG2    3.80             (#peak   606 #SUP  0.86  #QF  0.86;)
 &rst
  ixpk= 606, nxpk= 0, iat=1183,1188, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  75 LYS  HA     75 LYS  HG3    4.42             (#peak   608 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 608, nxpk= 0, iat=1183,1189, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#  52 PRO  HD2    75 LYS  HG3    6.16             (#peak   619 #SUP  0.71  #QF  0.46;)
 &rst
  ixpk= 619, nxpk= 0, iat= 829,1189, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  52 PRO  HD2    75 LYS  HG2    6.16             (#peak   619 #SUP  0.71  #QF  0.46;)
 &rst
  ixpk= 619, nxpk= 0, iat= 829,1188, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  52 PRO  HD3    75 LYS  HB3    4.39             (#peak   621 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 621, nxpk= 0, iat= 830,1186, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  52 PRO  HD3    75 LYS  H      5.90             (#peak   624 #SUP  0.96  #QF  0.90;)
 &rst
  ixpk= 624, nxpk= 0, iat= 830,1181, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  52 PRO  HD2    53 CYZN  H      4.83             (#peak   625 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 625, nxpk= 0, iat= 829, 842, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#  51 CYZN  H      52 PRO  HD3    5.81             (#peak   626 #SUP  0.74  #QF  0.74;)
 &rst
  ixpk= 626, nxpk= 0, iat= 817, 830, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,  &end
#
#  63 LEU  HA     63 LEU  HG     4.38             (#peak   628 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 628, nxpk= 0, iat= 998,1003, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#  63 LEU  HA     64 PRO  HD3    3.58             (#peak   630 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 630, nxpk= 0, iat= 998,1017, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#  63 LEU  HA     64 PRO  HD2    3.76             (#peak   631 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 631, nxpk= 0, iat= 998,1016, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#  63 LEU  HA     76 TRP  HB3    6.16             (#peak   632 #SUP  0.95  #QF  0.72;)
 &rst
  ixpk= 632, nxpk= 0, iat= 998,1208, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  38 ASP  HA     39 PHE  H      3.02             (#peak   636 #SUP  0.92  #QF  0.92;)
 &rst
  ixpk= 636, nxpk= 0, iat= 584, 594, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
#  38 ASP  HA     39 PHE  QD     5.29             (#peak   637 #SUP  0.88  #QF  0.88;)
 &rst
  ixpk= 637, nxpk= 0, iat= 584,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2= 602, 610,
 &end
#
#  38 ASP  HA     39 PHE  HA     5.16             (#peak   638 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 638, nxpk= 0, iat= 584, 596, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#  66 LYS  HA     66 LYS  QD     5.32             (#peak   644 #SUP  0.92  #QF  0.24;)
 &rst
  ixpk= 644, nxpk= 0, iat=1053,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2=1061,1062,
 &end
#
#  66 LYS  HA     66 LYS  HG3    4.11             (#peak   645 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 645, nxpk= 0, iat=1053,1059, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  65 LYS  QE     66 LYS  HA     4.64             (#peak   646 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 646, nxpk= 0, iat=  -1,1053, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1=1042,1043,
 &end
#
#  65 LYS  HA     66 LYS  HA     5.50             (#peak   647 #SUP  0.64  #QF  0.64;)
 &rst
  ixpk= 647, nxpk= 0, iat=1031,1053, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  50 LYS  HA     50 LYS  HG3    4.41             (#peak   652 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 652, nxpk= 0, iat= 797, 803, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#  50 LYS  HA     50 LYS  HG2    4.35             (#peak   653 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 653, nxpk= 0, iat= 797, 802, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#  50 LYS  HA     56 ARG  HB3    5.02             (#peak   655 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 655, nxpk= 0, iat= 797, 878, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#  49 PHE  HB3    50 LYS  HA     5.68             (#peak   657 #SUP  0.99  #QF  0.85;)
 &rst
  ixpk= 657, nxpk= 0, iat= 780, 797, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,  &end
#
#  55 ASN  HA     56 ARG  HA     5.50             (#peak   671 #SUP  1.00  #QF  0.96;)
 &rst
  ixpk= 671, nxpk= 0, iat= 861, 875, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  56 ARG  HA     57 THR  HA     5.92             (#peak   671 #SUP  1.00  #QF  0.96;)
 &rst
  ixpk= 671, nxpk= 0, iat= 875, 899, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
#  56 ARG  HA     56 ARG  HG2    3.79             (#peak   674 #SUP  0.75  #QF  0.75;)
 &rst
  ixpk= 674, nxpk= 0, iat= 875, 880, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#  50 LYS  HG2    56 ARG  HA     6.16             (#peak   675 #SUP  0.92  #QF  0.92;)
 &rst
  ixpk= 675, nxpk= 0, iat= 802, 875, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  56 ARG  HA     56 ARG  HG3    4.44             (#peak   676 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 676, nxpk= 0, iat= 875, 881, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  16 VAL  QG2    39 PHE  HA     4.51             (#peak   678 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 678, nxpk= 0, iat=  -1, 596, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 241, 242, 243,
 &end
#
#  18 CYZN  HA     39 PHE  HA     3.67             (#peak   682 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 682, nxpk= 0, iat= 263, 596, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#  67 HIS  HB2    72 GLY  HA3    6.06             (#peak   704 #SUP  0.98  #QF  0.30;)
 &rst
  ixpk= 704, nxpk= 0, iat=1077,1138, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,  &end
#
#   9 ARG  HB3    80 GLY  HA3    5.56             (#peak   719 #SUP  0.98  #QF  0.93;)
 &rst
  ixpk= 719, nxpk= 0, iat= 118,1285, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,  &end
#
#   9 ARG  HB3    80 GLY  HA2    5.56             (#peak   720 #SUP  0.98  #QF  0.96;)
 &rst
  ixpk= 720, nxpk= 0, iat= 118,1284, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,  &end
#
#   9 ARG  HG3    80 GLY  HA3    5.06             (#peak   722 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 722, nxpk= 0, iat= 121,1285, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#  80 GLY  HA3    82 LEU  QQD    6.16             (#peak   723 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 723, nxpk= 0, iat=1285,  -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
 igr2=1315,1316,1317,1319,1320,1321,
 &end
#
#  80 GLY  HA2    82 LEU  QQD    6.16             (#peak   724 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 724, nxpk= 0, iat=1284,  -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
 igr2=1315,1316,1317,1319,1320,1321,
 &end
#
#  15 VAL  QG1    44 GLY  HA2    5.64             (#peak   728 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 728, nxpk= 0, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
 igr1= 221, 222, 223,
 &end
#
#  44 GLY  HA2    45 VAL  HB     5.41             (#peak   730 #SUP  0.77  #QF  0.77;)
 &rst
  ixpk= 730, nxpk= 0, iat= 688, 697, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
#  44 GLY  HA3    45 VAL  HB     5.61             (#peak   734 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 734, nxpk= 0, iat= 689, 697, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,  &end
#
#  43 ASN  HB3    44 GLY  HA2    5.51             (#peak   735 #SUP  0.76  #QF  0.76;)
 &rst
  ixpk= 735, nxpk= 0, iat= 677, 688, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,  &end
#
#  44 GLY  HA2    45 VAL  H      3.64             (#peak   741 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 741, nxpk= 0, iat= 688, 693, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#  49 PHE  HB2    64 PRO  HG2    6.16             (#peak   752 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 752, nxpk= 0, iat= 779,1019, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  49 PHE  HB2    64 PRO  HG3    5.56             (#peak   753 #SUP  0.83  #QF  0.83;)
 &rst
  ixpk= 753, nxpk= 0, iat= 779,1020, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,  &end
#
#  49 PHE  HB3    64 PRO  HG3    6.04             (#peak   754 #SUP  0.72  #QF  0.72;)
 &rst
  ixpk= 754, nxpk= 0, iat= 780,1020, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,  &end
#
#  49 PHE  HB2    50 LYS  QB     6.05             (#peak   756 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 756, nxpk= 0, iat= 779,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 799, 800,
 &end
#
#  49 PHE  HB3    50 LYS  QB     5.35             (#peak   757 #SUP  0.80  #QF  0.80;)
 &rst
  ixpk= 757, nxpk= 0, iat= 780,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr2= 799, 800,
 &end
#
#  49 PHE  HB2    76 TRP  HB2    5.52             (#peak   759 #SUP  0.88  #QF  0.88;)
 &rst
  ixpk= 759, nxpk= 0, iat= 779,1207, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,  &end
#
#  49 PHE  HB3    78 ARG  HA     5.12             (#peak   761 #SUP  0.91  #QF  0.91;)
 &rst
  ixpk= 761, nxpk= 0, iat= 780,1244, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#  49 PHE  HB2    78 ARG  HA     5.96             (#peak   762 #SUP  0.56  #QF  0.56;)
 &rst
  ixpk= 762, nxpk= 0, iat= 779,1244, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,  &end
#
#  49 PHE  HB2    77 GLU  H      5.56             (#peak   775 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 775, nxpk= 0, iat= 779,1227, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,  &end
#
#  81 MET  HA     82 LEU  QB     5.20             (#peak   791 #SUP  0.92  #QF  0.92;)
 &rst
  ixpk= 791, nxpk= 0, iat=1291,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2=1310,1311,
 &end
#
#  48 PHE  QD     82 LEU  QB     6.16             (#peak   792 #SUP  0.91  #QF  0.69;)
 &rst
  ixpk= 792, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
 igr1= 763, 771,
 igr2=1310,1311,
 &end
#
#  48 PHE  QE     82 LEU  QB     6.16             (#peak   792 #SUP  0.91  #QF  0.69;)
 &rst
  ixpk= 792, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
 igr1= 765, 769,
 igr2=1310,1311,
 &end
#
#  82 LEU  QB     82 LEU  QQD    3.17             (#peak   795 #SUP  1.00;)
 &rst
  ixpk= 795, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1310,1311,
 igr2=1315,1316,1317,1319,1320,1321,
 &end
#
#  59 SER  HA     60 LEU  HB2    5.22             (#peak   803 #SUP  0.81  #QF  0.81;)
 &rst
  ixpk= 803, nxpk= 0, iat= 932, 945, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
#  49 PHE  H      58 ILE  HB     6.16             (#peak   810 #SUP  0.88  #QF  0.88;)
 &rst
  ixpk= 810, nxpk= 0, iat= 775, 915, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  47 ARG  H      58 ILE  HB     6.16             (#peak   811 #SUP  0.89  #QF  0.89;)
 &rst
  ixpk= 811, nxpk= 0, iat= 731, 915, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  48 PHE  QD     58 ILE  HB     5.19             (#peak   812 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 812, nxpk= 0, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 763, 771,
 &end
#
#  57 THR  HA     58 ILE  HB     5.87             (#peak   815 #SUP  1.00  #QF  0.95;)
 &rst
  ixpk= 815, nxpk= 0, iat= 899, 915, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,  &end
#
#  58 ILE  HB     59 SER  HA     6.16             (#peak   815 #SUP  1.00  #QF  0.95;)
 &rst
  ixpk= 815, nxpk= 0, iat= 915, 932, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#   8 ILE  HB      8 ILE  QD1    3.76             (#peak   821 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 821, nxpk= 0, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2= 107, 108, 109,
 &end
#
#   7 SER  HA      8 ILE  HB     5.73             (#peak   823 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 823, nxpk= 0, iat=  85,  98, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,  &end
#
#   8 ILE  HB     10 GLU  H      4.54             (#peak   826 #SUP  0.97  #QF  0.95;)
 &rst
  ixpk= 826, nxpk= 0, iat=  98, 137, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  50 LYS  QB     76 TRP  HE3    5.68             (#peak   839 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 839, nxpk= 0, iat=  -1,1222, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr1= 799, 800,
 &end
#
#  50 LYS  QB     57 THR  H      5.40             (#peak   842 #SUP  0.61  #QF  0.61;)
 &rst
  ixpk= 842, nxpk= 0, iat=  -1, 897, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 799, 800,
 &end
#
#  50 LYS  QB     50 LYS  QE     4.18             (#peak   846 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 846, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 799, 800,
 igr2= 808, 809,
 &end
#
#  50 LYS  QB     56 ARG  HB3    5.23             (#peak   847 #SUP  1.00  #QF  0.94;)
 &rst
  ixpk= 847, nxpk= 0, iat=  -1, 878, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 799, 800,
 &end
#
#  50 LYS  QB     79 VAL  HB     5.53             (#peak   847 #SUP  1.00  #QF  0.94;)
 &rst
  ixpk= 847, nxpk= 0, iat=  -1,1270, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 799, 800,
 &end
#
#  50 LYS  QB     50 LYS  HG3    3.36             (#peak   848 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 848, nxpk= 0, iat=  -1, 803, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 799, 800,
 &end
#
#  36 ASN  H      36 ASN  HB3    4.55             (#peak   857 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 857, nxpk= 0, iat= 550, 555, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#  30 GLU  HA     30 GLU  QG     3.52             (#peak   864 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 864, nxpk= 0, iat= 471,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 476, 477,
 &end
#
#  30 GLU  QB     30 GLU  QG     3.05             (#peak   865 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 865, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr1= 473, 474,
 igr2= 476, 477,
 &end
#
#  30 GLU  QG     31 THR  H      5.19             (#peak   874 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 874, nxpk= 0, iat=  -1, 484, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 476, 477,
 &end
#
#  35 GLU  HA     35 GLU  HG3    4.17             (#peak   884 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 884, nxpk= 0, iat= 537, 543, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  82 LEU  QQD    84 GLU  QG     5.63             (#peak   887 #SUP  0.53  #QF  0.53;)
 &rst
  ixpk= 887, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.52, r4= 9.02,
 igr1=1315,1316,1317,1319,1320,1321,
 igr2=1354,1355,
 &end
#
#  66 LYS  HB2    66 LYS  QD     4.48             (#peak   895 #SUP  0.82  #QF  0.82;)
 &rst
  ixpk= 895, nxpk= 0, iat=1055,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2=1061,1062,
 &end
#
#  66 LYS  HB2    66 LYS  QE     5.14             (#peak   896 #SUP  1.00  #QF  0.48;)
 &rst
  ixpk= 896, nxpk= 0, iat=1055,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr2=1064,1065,
 &end
#
#  65 LYS  QE     66 LYS  HB3    5.66             (#peak   897 #SUP  1.00  #QF  0.94;)
 &rst
  ixpk= 897, nxpk= 0, iat=  -1,1056, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=1042,1043,
 &end
#
#  66 LYS  HB3    66 LYS  QE     6.16             (#peak   897 #SUP  1.00  #QF  0.94;)
 &rst
  ixpk= 897, nxpk= 0, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr2=1064,1065,
 &end
#
#  46 LYS  HB3    58 ILE  QG2    4.39             (#peak   910 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 910, nxpk= 0, iat= 714,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr2= 917, 918, 919,
 &end
#
#  46 LYS  HB2    58 ILE  QG2    4.69             (#peak   914 #SUP  0.95  #QF  0.93;)
 &rst
  ixpk= 914, nxpk= 0, iat= 713,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 917, 918, 919,
 &end
#
#  16 VAL  QG1    39 PHE  HB3    5.51             (#peak   918 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 918, nxpk= 0, iat=  -1, 599, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr1= 237, 238, 239,
 &end
#
#  17 THR  QG2    39 PHE  HB2    6.12             (#peak   919 #SUP  0.73  #QF  0.73;)
 &rst
  ixpk= 919, nxpk= 0, iat=  -1, 598, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
 igr1= 253, 254, 255,
 &end
#
#  18 CYZN  HA     39 PHE  HB2    4.35             (#peak   920 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 920, nxpk= 0, iat= 263, 598, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#  19 LYS  H      39 PHE  HB2    6.05             (#peak   930 #SUP  0.87  #QF  0.87;)
 &rst
  ixpk= 930, nxpk= 0, iat= 271, 598, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  23 TYR  HB3    24 THR  H      4.49             (#peak   935 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 935, nxpk= 0, iat= 344, 360, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  47 ARG  HA     48 PHE  QB     5.34             (#peak   940 #SUP  0.54  #QF  0.54;)
 &rst
  ixpk= 940, nxpk= 0, iat= 733,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 759, 760,
 &end
#
#  51 CYZN  HB3    52 PRO  HD3    5.60             (#peak   946 #SUP  0.87  #QF  0.87;)
 &rst
  ixpk= 946, nxpk= 0, iat= 822, 830, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  18 CYZN  HB3    21 CYZN  HB3    4.65             (#peak   948 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 948, nxpk= 0, iat= 265, 311, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#  18 CYZN  HB2    21 CYZN  HB3    5.76             (#peak   949 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 949, nxpk= 0, iat= 266, 311, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,  &end
#
#  21 CYZN  HB3    23 TYR  H      5.50             (#peak   950 #SUP  0.81  #QF  0.81;)
 &rst
  ixpk= 950, nxpk= 0, iat= 311, 339, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  21 CYZN  H      21 CYZN  HB3    4.27             (#peak   955 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 955, nxpk= 0, iat= 307, 311, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#  51 CYZN  HB3    55 ASN  HB3    4.77             (#peak   958 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 958, nxpk= 0, iat= 822, 864, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  51 CYZN  HB2    52 PRO  HD3    5.40             (#peak   959 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 959, nxpk= 0, iat= 821, 830, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  50 LYS  QB     51 CYZN  HB3    6.16             (#peak   960 #SUP  0.51  #QF  0.29;)
 &rst
  ixpk= 960, nxpk= 0, iat=  -1, 822, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1= 799, 800,
 &end
#
#  51 CYZN  HB3    56 ARG  HG2    6.16             (#peak   960 #SUP  0.51  #QF  0.29;)
 &rst
  ixpk= 960, nxpk= 0, iat= 822, 880, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  51 CYZN  HB3    55 ASN  HA     5.30             (#peak   964 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 964, nxpk= 0, iat= 822, 861, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  51 CYZN  HB3    52 PRO  HD2    5.44             (#peak   966 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 966, nxpk= 0, iat= 822, 829, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
#  51 CYZN  HB2    55 ASN  HA     6.16             (#peak   967 #SUP  0.45  #QF  0.45;)
 &rst
  ixpk= 967, nxpk= 0, iat= 821, 861, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  50 LYS  HA     51 CYZN  HB3    5.34             (#peak   970 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 970, nxpk= 0, iat= 797, 822, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
#  51 CYZN  HB3    76 TRP  HZ2    6.16             (#peak   973 #SUP  0.31  #QF  0.31;)
 &rst
  ixpk= 973, nxpk= 0, iat= 822,1216, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  51 CYZN  HB3    55 ASN  H      4.55             (#peak   975 #SUP  1.00;)
 &rst
  ixpk= 975, nxpk= 0, iat= 822, 859, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#  11 GLN  H      11 GLN  QB     4.38             (#peak   982 #SUP  1.00;)
 &rst
  ixpk= 982, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 156, 157,
 &end
#
#  19 LYS  H      19 LYS  HB3    4.22             (#peak   983 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 983, nxpk= 0, iat= 271, 276, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#  19 LYS  HB3    20 THR  H      4.84             (#peak   985 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 985, nxpk= 0, iat= 276, 293, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#  19 LYS  HB2    20 THR  H      4.94             (#peak   986 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 986, nxpk= 0, iat= 275, 293, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#  19 LYS  HB2    38 ASP  HB2    4.73             (#peak   989 #SUP  0.86  #QF  0.86;)
 &rst
  ixpk= 989, nxpk= 0, iat= 275, 586, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#  46 LYS  HB2    48 PHE  QD     5.82             (#peak  1009 #SUP  0.97  #QF  0.71;)
 &rst
  ixpk= 1009, nxpk= 0, iat= 713,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr2= 763, 771,
 &end
#
#  46 LYS  HB2    48 PHE  QE     6.06             (#peak  1009 #SUP  0.97  #QF  0.71;)
 &rst
  ixpk= 1009, nxpk= 0, iat= 713,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr2= 765, 769,
 &end
#
#  46 LYS  HB3    48 PHE  QE     5.58             (#peak  1010 #SUP  0.81  #QF  0.81;)
 &rst
  ixpk= 1010, nxpk= 0, iat= 714,  -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr2= 765, 769,
 &end
#
#  46 LYS  HB3    47 ARG  H      5.00             (#peak  1012 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1012, nxpk= 0, iat= 714, 731, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  20 THR  QG2    37 HIZ+  HB3    4.97             (#peak  1016 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1016, nxpk= 0, iat=  -1, 569, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 299, 300, 301,
 &end
#
#  20 THR  QG2    37 HIZ+  HB2    5.86             (#peak  1017 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 1017, nxpk= 0, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
 igr1= 299, 300, 301,
 &end
#
#  32 CYZN  HA     37 HIZ+  HB2    5.10             (#peak  1018 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 1018, nxpk= 0, iat= 500, 568, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  37 HIZ+  HB2    39 PHE  HZ     5.72             (#peak  1029 #SUP  0.99  #QF  0.63;)
 &rst
  ixpk= 1029, nxpk= 0, iat= 568, 606, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#  11 GLN  QG     48 PHE  HZ     4.44             (#peak  1035 #SUP  0.97  #QF  0.73;)
 &rst
  ixpk= 1035, nxpk= 0, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 159, 160,
 &end
#
#  11 GLN  QG     12 SER  QB     6.16             (#peak  1038 #SUP  0.84  #QF  0.84;)
 &rst
  ixpk= 1038, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
 igr1= 159, 160,
 igr2= 173, 174,
 &end
#
#  11 GLN  QG     46 LYS  QD     4.85             (#peak  1041 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 1041, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 159, 160,
 igr2= 719, 720,
 &end
#
#  11 GLN  QG     45 VAL  QG2    6.16             (#peak  1043 #SUP  0.81  #QF  0.81;)
 &rst
  ixpk= 1043, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
 igr1= 159, 160,
 igr2= 703, 704, 705,
 &end
#
#  79 VAL  HB     80 GLY  HA2    5.23             (#peak  1052 #SUP  1.00;)
 &rst
  ixpk= 1052, nxpk= 0, iat=1270,1284, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
#  79 VAL  HB     80 GLY  HA3    5.23             (#peak  1053 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1053, nxpk= 0, iat=1270,1285, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
#  56 ARG  HB3    57 THR  HA     5.20             (#peak  1054 #SUP  1.00;)
 &rst
  ixpk= 1054, nxpk= 0, iat= 878, 899, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  48 PHE  QB     79 VAL  HB     5.30             (#peak  1056 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 1056, nxpk= 0, iat=  -1,1270, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1= 759, 760,
 &end
#
#  23 TYR  QE     25 HIS  HB3    4.35             (#peak  1061 #SUP  0.70  #QF  0.70;)
 &rst
  ixpk= 1061, nxpk= 0, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 349, 354,
 &end
#
#  23 TYR  QE     25 HIS  HB2    4.08             (#peak  1062 #SUP  0.99  #QF  0.98;)
 &rst
  ixpk= 1062, nxpk= 0, iat=  -1, 378, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 349, 354,
 &end
#
#  20 THR  H      37 HIZ+  HA     6.16             (#peak  1080 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 1080, nxpk= 0, iat= 293, 566, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  37 HIZ+  HA     38 ASP  HB2    4.92             (#peak  1083 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 1083, nxpk= 0, iat= 566, 586, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  20 THR  QG2    37 HIZ+  HA     4.56             (#peak  1084 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1084, nxpk= 0, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 299, 300, 301,
 &end
#
#  81 MET  HA     82 LEU  QQD    5.22             (#peak  1092 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 1092, nxpk= 0, iat=1291,  -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
 igr2=1315,1316,1317,1319,1320,1321,
 &end
#
#  81 MET  HA     82 LEU  HA     5.03             (#peak  1093 #SUP  0.62  #QF  0.62;)
 &rst
  ixpk= 1093, nxpk= 0, iat=1291,1308, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#  47 ARG  HA     48 PHE  QD     4.95             (#peak  1097 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1097, nxpk= 0, iat= 733,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 763, 771,
 &end
#
#  10 GLU  HA     47 ARG  HA     5.34             (#peak  1099 #SUP  0.60  #QF  0.60;)
 &rst
  ixpk= 1099, nxpk= 0, iat= 139, 733, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
#  47 ARG  HA     47 ARG  HD3    5.33             (#peak  1102 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1102, nxpk= 0, iat= 733, 742, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#  47 ARG  QG     59 SER  HA     6.16             (#peak  1105 #SUP  0.88  #QF  0.88;)
 &rst
  ixpk= 1105, nxpk= 0, iat=  -1, 932, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1= 738, 739,
 &end
#
#  46 LYS  HA     47 ARG  QG     4.91             (#peak  1106 #SUP  1.00  #QF  0.79;)
 &rst
  ixpk= 1106, nxpk= 0, iat= 711,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 738, 739,
 &end
#
#  47 ARG  QG     48 PHE  H      5.48             (#peak  1107 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 1107, nxpk= 0, iat=  -1, 755, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 738, 739,
 &end
#
#  78 ARG  HB2    78 ARG  HD2    4.14             (#peak  1112 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1112, nxpk= 0, iat=1246,1252, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  78 ARG  HB2    78 ARG  HD3    4.14             (#peak  1113 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1113, nxpk= 0, iat=1246,1253, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  78 ARG  HA     78 ARG  HD2    4.75             (#peak  1114 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1114, nxpk= 0, iat=1244,1252, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  49 PHE  QE     78 ARG  HD2    4.82             (#peak  1121 #SUP  0.90  #QF  0.90;)
 &rst
  ixpk= 1121, nxpk= 0, iat=  -1,1252, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 785, 789,
 &end
#
#  49 PHE  QE     78 ARG  HD3    4.82             (#peak  1122 #SUP  0.87  #QF  0.87;)
 &rst
  ixpk= 1122, nxpk= 0, iat=  -1,1253, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 785, 789,
 &end
#
#  27 LYS  HA     28 PRO  HD2    3.55             (#peak  1128 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 1128, nxpk= 0, iat= 413, 434, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#  27 LYS  HA     28 PRO  HD3    3.49             (#peak  1129 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1129, nxpk= 0, iat= 413, 435, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
#  15 VAL  QG1    60 LEU  HB3    4.88             (#peak  1137 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 1137, nxpk= 0, iat=  -1, 946, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 221, 222, 223,
 &end
#
#  46 LYS  HB2    60 LEU  QD1    5.60             (#peak  1138 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1138, nxpk= 0, iat= 713,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 950, 951, 952,
 &end
#
#  60 LEU  HB3    60 LEU  QD1    3.64             (#peak  1139 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 1139, nxpk= 0, iat= 946,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2= 950, 951, 952,
 &end
#
#  13 CYS  HB3    15 VAL  QG1    5.66             (#peak  1142 #SUP  0.75  #QF  0.75;)
 &rst
  ixpk= 1142, nxpk= 0, iat= 185,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr2= 221, 222, 223,
 &end
#
#  60 LEU  HA     60 LEU  QD1    4.50             (#peak  1148 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 1148, nxpk= 0, iat= 943,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 950, 951, 952,
 &end
#
#  15 VAL  HA     15 VAL  QG1    3.44             (#peak  1149 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 1149, nxpk= 0, iat= 217,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 221, 222, 223,
 &end
#
#  15 VAL  HA     60 LEU  QD1    6.16             (#peak  1150 #SUP  0.98  #QF  0.96;)
 &rst
  ixpk= 1150, nxpk= 0, iat= 217,  -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
 igr2= 950, 951, 952,
 &end
#
#  59 SER  HA     60 LEU  QD1    6.16             (#peak  1150 #SUP  0.98  #QF  0.96;)
 &rst
  ixpk= 1150, nxpk= 0, iat= 932,  -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
 igr2= 950, 951, 952,
 &end
#
#  15 VAL  QG1    26 PHE  HA     3.84             (#peak  1152 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 1152, nxpk= 0, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 221, 222, 223,
 &end
#
#  60 LEU  QD1    61 ASP  H      5.81             (#peak  1162 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 1162, nxpk= 0, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
 igr1= 950, 951, 952,
 &end
#
#  60 LEU  HB3    60 LEU  QD2    3.64             (#peak  1168 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 1168, nxpk= 0, iat= 946,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2= 954, 955, 956,
 &end
#
#  15 VAL  HA     60 LEU  QD2    6.16             (#peak  1173 #SUP  0.98  #QF  0.94;)
 &rst
  ixpk= 1173, nxpk= 0, iat= 217,  -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
 igr2= 954, 955, 956,
 &end
#
#  59 SER  HA     60 LEU  QD2    6.16             (#peak  1173 #SUP  0.98  #QF  0.94;)
 &rst
  ixpk= 1173, nxpk= 0, iat= 932,  -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
 igr2= 954, 955, 956,
 &end
#
#  47 ARG  HB3    62 ARG  HA     5.50             (#peak  1187 #SUP  0.99  #QF  0.45;)
 &rst
  ixpk= 1187, nxpk= 0, iat= 736, 974, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  62 ARG  HA     63 LEU  QB     5.98             (#peak  1187 #SUP  0.99  #QF  0.45;)
 &rst
  ixpk= 1187, nxpk= 0, iat= 974,  -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr2=1000,1001,
 &end
#
#  35 GLU  H      35 GLU  HB3    4.18             (#peak  1193 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1193, nxpk= 0, iat= 535, 540, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  30 GLU  H      30 GLU  QB     3.52             (#peak  1213 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1213, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 473, 474,
 &end
#
#  30 GLU  QB     34 SER  H      6.10             (#peak  1214 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1214, nxpk= 0, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1= 473, 474,
 &end
#
#  30 GLU  QB     31 THR  H      4.18             (#peak  1215 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 1215, nxpk= 0, iat=  -1, 484, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 473, 474,
 &end
#
#  30 GLU  QB     32 CYZN  H      5.56             (#peak  1216 #SUP  0.66  #QF  0.66;)
 &rst
  ixpk= 1216, nxpk= 0, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 473, 474,
 &end
#
#  18 CYZN  HB2    21 CYZN  HB2    4.79             (#peak  1226 #SUP  1.00  #QF  0.99;)
 &rst
  ixpk= 1226, nxpk= 0, iat= 266, 312, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#  18 CYZN  HB2    39 PHE  HB3    4.95             (#peak  1226 #SUP  1.00  #QF  0.99;)
 &rst
  ixpk= 1226, nxpk= 0, iat= 266, 599, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#  18 CYZN  HB3    21 CYZN  HB2    4.30             (#peak  1227 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1227, nxpk= 0, iat= 265, 312, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  18 CYZN  HB3    21 CYZN  HA     5.60             (#peak  1231 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 1231, nxpk= 0, iat= 265, 309, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  17 THR  HA     18 CYZN  HB2    5.49             (#peak  1235 #SUP  0.91  #QF  0.91;)
 &rst
  ixpk= 1235, nxpk= 0, iat= 249, 266, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#  17 THR  HA     18 CYZN  HB3    5.32             (#peak  1236 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 1236, nxpk= 0, iat= 249, 265, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
#  18 CYZN  HB2    20 THR  H      5.64             (#peak  1242 #SUP  0.98  #QF  0.95;)
 &rst
  ixpk= 1242, nxpk= 0, iat= 266, 293, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,  &end
#
#  18 CYZN  HB3    19 LYS  H      5.49             (#peak  1248 #SUP  1.00;)
 &rst
  ixpk= 1248, nxpk= 0, iat= 265, 271, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#  18 CYZN  HA     39 PHE  QE     5.66             (#peak  1255 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 1255, nxpk= 0, iat= 263,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr2= 604, 608,
 &end
#
#  18 CYZN  HA     19 LYS  HA     5.04             (#peak  1256 #SUP  0.89  #QF  0.89;)
 &rst
  ixpk= 1256, nxpk= 0, iat= 263, 273, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#  18 CYZN  HA     39 PHE  HB3    3.98             (#peak  1257 #SUP  0.86  #QF  0.86;)
 &rst
  ixpk= 1257, nxpk= 0, iat= 263, 599, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  18 CYZN  HA     19 LYS  HB2    5.49             (#peak  1260 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1260, nxpk= 0, iat= 263, 275, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#  18 CYZN  HA     19 LYS  HG2    5.22             (#peak  1261 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1261, nxpk= 0, iat= 263, 278, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
#  17 THR  QG2    18 CYZN  HA     5.35             (#peak  1262 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1262, nxpk= 0, iat=  -1, 263, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr1= 253, 254, 255,
 &end
#
#  71 CYZN  HA     71 CYZN  HB3    3.33             (#peak  1264 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1264, nxpk= 0, iat=1127,1129, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
#  71 CYZN  HA     71 CYZN  HB2    3.25             (#peak  1265 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1265, nxpk= 0, iat=1127,1130, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
#  68 CYZN  HB3    71 CYZN  HA     6.16             (#peak  1266 #SUP  0.94  #QF  0.46;)
 &rst
  ixpk= 1266, nxpk= 0, iat=1094,1127, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  70 THR  HB     71 CYZN  HA     5.49             (#peak  1270 #SUP  1.00;)
 &rst
  ixpk= 1270, nxpk= 0, iat=1115,1127, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#  71 CYZN  HA     72 GLY  HA3    5.08             (#peak  1271 #SUP  0.68  #QF  0.68;)
 &rst
  ixpk= 1271, nxpk= 0, iat=1127,1138, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
#  12 SER  HA     44 GLY  H      5.64             (#peak  1276 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 1276, nxpk= 0, iat= 171, 686, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,  &end
#
#  12 SER  HA     45 VAL  HA     3.56             (#peak  1277 #SUP  0.92  #QF  0.92;)
 &rst
  ixpk= 1277, nxpk= 0, iat= 171, 695, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
#  12 SER  HA     45 VAL  HB     5.62             (#peak  1279 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 1279, nxpk= 0, iat= 171, 697, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,  &end
#
#  12 SER  HA     45 VAL  QG1    4.86             (#peak  1280 #SUP  0.64  #QF  0.64;)
 &rst
  ixpk= 1280, nxpk= 0, iat= 171,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 699, 700, 701,
 &end
#
#  58 ILE  HA     59 SER  HB2    5.31             (#peak  1286 #SUP  0.74  #QF  0.74;)
 &rst
  ixpk= 1286, nxpk= 0, iat= 913, 934, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
#  48 PHE  QB     58 ILE  HA     5.24             (#peak  1287 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1287, nxpk= 0, iat=  -1, 913, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 759, 760,
 &end
#
#  48 PHE  HA     58 ILE  HA     3.93             (#peak  1289 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1289, nxpk= 0, iat= 757, 913, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#  57 THR  HA     58 ILE  HA     5.70             (#peak  1290 #SUP  1.00  #QF  0.66;)
 &rst
  ixpk= 1290, nxpk= 0, iat= 899, 913, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  58 ILE  HA     59 SER  HA     6.08             (#peak  1290 #SUP  1.00  #QF  0.66;)
 &rst
  ixpk= 1290, nxpk= 0, iat= 913, 932, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,  &end
#
#  47 ARG  H      58 ILE  HA     5.38             (#peak  1293 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 1293, nxpk= 0, iat= 731, 913, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#  48 PHE  QD     58 ILE  HA     5.02             (#peak  1295 #SUP  0.99  #QF  0.96;)
 &rst
  ixpk= 1295, nxpk= 0, iat=  -1, 913, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 763, 771,
 &end
#
#  48 PHE  HA     48 PHE  QD     4.09             (#peak  1298 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1298, nxpk= 0, iat= 757,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2= 763, 771,
 &end
#
#  48 PHE  HA     49 PHE  HB2    5.38             (#peak  1302 #SUP  0.80  #QF  0.80;)
 &rst
  ixpk= 1302, nxpk= 0, iat= 757, 779, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#  48 PHE  HA     58 ILE  HB     5.43             (#peak  1303 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1303, nxpk= 0, iat= 757, 915, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#  48 PHE  HA     58 ILE  QG2    4.36             (#peak  1306 #SUP  1.00  #QF  0.98;)
 &rst
  ixpk= 1306, nxpk= 0, iat= 757,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 917, 918, 919,
 &end
#
#  14 ARG  QG     43 ASN  HA     4.93             (#peak  1307 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1307, nxpk= 0, iat=  -1, 674, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1= 198, 199,
 &end
#
#  15 VAL  QG1    43 ASN  HA     5.13             (#peak  1309 #SUP  1.00;)
 &rst
  ixpk= 1309, nxpk= 0, iat=  -1, 674, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 221, 222, 223,
 &end
#
#  14 ARG  HA     43 ASN  HA     3.67             (#peak  1311 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1311, nxpk= 0, iat= 193, 674, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#  15 VAL  HA     43 ASN  HA     6.16             (#peak  1312 #SUP  0.65  #QF  0.65;)
 &rst
  ixpk= 1312, nxpk= 0, iat= 217, 674, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  43 ASN  HA     44 GLY  HA2    5.21             (#peak  1313 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1313, nxpk= 0, iat= 674, 688, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#  43 ASN  HA     44 GLY  HA3    4.92             (#peak  1314 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 1314, nxpk= 0, iat= 674, 689, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  15 VAL  H      43 ASN  HA     4.35             (#peak  1317 #SUP  0.79  #QF  0.79;)
 &rst
  ixpk= 1317, nxpk= 0, iat= 215, 674, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#  40 HIS  HA     41 TRP  HD1    5.19             (#peak  1321 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1321, nxpk= 0, iat= 616, 639, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#  39 PHE  HB3    40 HIS  HA     6.06             (#peak  1326 #SUP  0.43  #QF  0.43;)
 &rst
  ixpk= 1326, nxpk= 0, iat= 599, 616, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,  &end
#
#  17 THR  HA     23 TYR  QD     5.36             (#peak  1337 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1337, nxpk= 0, iat= 249,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2= 347, 356,
 &end
#
#  17 THR  HA     17 THR  QG2    3.67             (#peak  1343 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1343, nxpk= 0, iat= 249,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 253, 254, 255,
 &end
#
#  18 CYZN  H      24 THR  HA     4.66             (#peak  1348 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1348, nxpk= 0, iat= 261, 362, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#  24 THR  HA     25 HIS  HB2    5.45             (#peak  1353 #SUP  0.57  #QF  0.57;)
 &rst
  ixpk= 1353, nxpk= 0, iat= 362, 378, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#  16 VAL  QG1    24 THR  HA     5.13             (#peak  1355 #SUP  0.69  #QF  0.69;)
 &rst
  ixpk= 1355, nxpk= 0, iat=  -1, 362, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 237, 238, 239,
 &end
#
#  27 LYS  HG2    28 PRO  HD2    5.64             (#peak  1365 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1365, nxpk= 0, iat= 418, 434, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,  &end
#
#  27 LYS  HG3    27 LYS  QE     4.56             (#peak  1368 #SUP  1.00;)
 &rst
  ixpk= 1368, nxpk= 0, iat= 419,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 424, 425,
 &end
#
#  27 LYS  HG2    27 LYS  QE     4.56             (#peak  1369 #SUP  1.00;)
 &rst
  ixpk= 1369, nxpk= 0, iat= 418,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 424, 425,
 &end
#
#  65 LYS  HG2    65 LYS  QE     4.50             (#peak  1376 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 1376, nxpk= 0, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1042,1043,
 &end
#
#  65 LYS  HG3    65 LYS  QE     4.50             (#peak  1377 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 1377, nxpk= 0, iat=1037,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1042,1043,
 &end
#
#  19 LYS  HG2    20 THR  H      5.22             (#peak  1384 #SUP  0.87  #QF  0.87;)
 &rst
  ixpk= 1384, nxpk= 0, iat= 278, 293, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
#  19 LYS  HG2    19 LYS  QE     4.59             (#peak  1388 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 1388, nxpk= 0, iat= 278,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 284, 285,
 &end
#
#  19 LYS  HG3    19 LYS  QE     4.69             (#peak  1389 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 1389, nxpk= 0, iat= 279,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 284, 285,
 &end
#
#  75 LYS  HB3    75 LYS  QD     4.56             (#peak  1395 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1395, nxpk= 0, iat=1186,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2=1191,1192,
 &end
#
#  75 LYS  HB2    75 LYS  QE     4.92             (#peak  1398 #SUP  0.91  #QF  0.91;)
 &rst
  ixpk= 1398, nxpk= 0, iat=1185,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2=1194,1195,
 &end
#
#  75 LYS  HB3    75 LYS  QE     5.36             (#peak  1399 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1399, nxpk= 0, iat=1186,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2=1194,1195,
 &end
#
#  81 MET  H      81 MET  HB3    4.41             (#peak  1406 #SUP  0.98  #QF  0.85;)
 &rst
  ixpk= 1406, nxpk= 0, iat=1289,1294, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#  81 MET  H      81 MET  HB2    4.41             (#peak  1407 #SUP  0.96  #QF  0.95;)
 &rst
  ixpk= 1407, nxpk= 0, iat=1289,1293, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#  48 PHE  QD     81 MET  HB2    6.04             (#peak  1411 #SUP  0.98  #QF  0.88;)
 &rst
  ixpk= 1411, nxpk= 0, iat=  -1,1293, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
 igr1= 763, 771,
 &end
#
#  81 MET  HB2    82 LEU  QQD    5.43             (#peak  1415 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 1415, nxpk= 0, iat=1293,  -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
 igr2=1315,1316,1317,1319,1320,1321,
 &end
#
#  81 MET  HB3    82 LEU  QQD    5.43             (#peak  1416 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 1416, nxpk= 0, iat=1294,  -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
 igr2=1315,1316,1317,1319,1320,1321,
 &end
#
#  63 LEU  QD2    76 TRP  HB3    5.51             (#peak  1418 #SUP  0.74  #QF  0.34;)
 &rst
  ixpk= 1418, nxpk= 0, iat=  -1,1208, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr1=1009,1010,1011,
 &end
#
#  64 PRO  HD3    76 TRP  HB2    5.58             (#peak  1419 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 1419, nxpk= 0, iat=1017,1207, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,  &end
#
#  49 PHE  HB2    76 TRP  HB3    4.45             (#peak  1424 #SUP  1.00  #QF  0.95;)
 &rst
  ixpk= 1424, nxpk= 0, iat= 779,1208, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#  76 TRP  HB3    76 TRP  HE3    4.50             (#peak  1429 #SUP  1.00;)
 &rst
  ixpk= 1429, nxpk= 0, iat=1208,1222, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  71 CYZN  H      71 CYZN  HB2    4.39             (#peak  1437 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1437, nxpk= 0, iat=1125,1130, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  70 THR  HB     71 CYZN  HB2    6.16             (#peak  1443 #SUP  0.98  #QF  0.90;)
 &rst
  ixpk= 1443, nxpk= 0, iat=1115,1130, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  71 CYZN  HB2    72 GLY  HA2    6.16             (#peak  1443 #SUP  0.98  #QF  0.90;)
 &rst
  ixpk= 1443, nxpk= 0, iat=1130,1137, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  70 THR  HB     71 CYZN  HB3    5.04             (#peak  1444 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 1444, nxpk= 0, iat=1115,1129, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#  53 CYZN  HB2    71 CYZN  HB2    6.16             (#peak  1445 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 1445, nxpk= 0, iat= 847,1130, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  53 CYZN  HB3    71 CYZN  HB2    6.16             (#peak  1446 #SUP  0.94  #QF  0.53;)
 &rst
  ixpk= 1446, nxpk= 0, iat= 846,1130, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  68 CYZN  HB3    71 CYZN  HB2    6.16             (#peak  1446 #SUP  0.94  #QF  0.53;)
 &rst
  ixpk= 1446, nxpk= 0, iat=1094,1130, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  71 CYZN  HB2    73 LEU  HG     5.45             (#peak  1449 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 1449, nxpk= 0, iat=1130,1149, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#  70 THR  QG2    71 CYZN  HB2    5.38             (#peak  1452 #SUP  0.91  #QF  0.91;)
 &rst
  ixpk= 1452, nxpk= 0, iat=  -1,1130, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1=1117,1118,1119,
 &end
#
#  40 HIS  HB2    41 TRP  H      5.29             (#peak  1456 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1456, nxpk= 0, iat= 618, 631, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#  19 LYS  QD     40 HIS  HB2    5.25             (#peak  1469 #SUP  0.91  #QF  0.91;)
 &rst
  ixpk= 1469, nxpk= 0, iat=  -1, 618, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr1= 281, 282,
 &end
#
#  19 LYS  QD     40 HIS  HB3    6.10             (#peak  1470 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 1470, nxpk= 0, iat=  -1, 619, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1= 281, 282,
 &end
#
#  17 THR  QG2    40 HIS  HB2    5.39             (#peak  1471 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1471, nxpk= 0, iat=  -1, 618, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1= 253, 254, 255,
 &end
#
#  17 THR  QG2    40 HIS  HB3    5.87             (#peak  1472 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1472, nxpk= 0, iat=  -1, 619, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr1= 253, 254, 255,
 &end
#
#  33 VAL  HB     35 GLU  H      5.97             (#peak  1487 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1487, nxpk= 0, iat= 512, 535, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,  &end
#
#  76 TRP  HA     77 GLU  HB3    5.25             (#peak  1499 #SUP  0.91  #QF  0.91;)
 &rst
  ixpk= 1499, nxpk= 0, iat=1205,1232, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#  49 PHE  HB3    77 GLU  HB3    5.76             (#peak  1500 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 1500, nxpk= 0, iat= 780,1232, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,  &end
#
#  49 PHE  HB3    77 GLU  HB2    6.16             (#peak  1501 #SUP  0.89  #QF  0.89;)
 &rst
  ixpk= 1501, nxpk= 0, iat= 780,1231, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  50 LYS  QB     77 GLU  HB3    4.82             (#peak  1503 #SUP  0.88  #QF  0.88;)
 &rst
  ixpk= 1503, nxpk= 0, iat=  -1,1232, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 799, 800,
 &end
#
#  50 LYS  HG3    77 GLU  HB3    6.16             (#peak  1504 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 1504, nxpk= 0, iat= 803,1232, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  77 GLU  HB3    79 VAL  QG1    5.28             (#peak  1506 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 1506, nxpk= 0, iat=1232,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr2=1272,1273,1274,
 &end
#
#  29 LYS  HB2    29 LYS  QD     4.26             (#peak  1509 #SUP  0.81  #QF  0.81;)
 &rst
  ixpk= 1509, nxpk= 0, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 457, 458,
 &end
#
#  29 LYS  HB3    29 LYS  QD     4.26             (#peak  1510 #SUP  0.90  #QF  0.90;)
 &rst
  ixpk= 1510, nxpk= 0, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 457, 458,
 &end
#
#  14 ARG  HB3    14 ARG  HD2    4.69             (#peak  1521 #SUP  0.88  #QF  0.88;)
 &rst
  ixpk= 1521, nxpk= 0, iat= 196, 201, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#   9 ARG  HB2    82 LEU  QQD    5.77             (#peak  1532 #SUP  0.41  #QF  0.41;)
 &rst
  ixpk= 1532, nxpk= 0, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr2=1315,1316,1317,1319,1320,1321,
 &end
#
#  10 GLU  HB2    45 VAL  QG1    5.33             (#peak  1533 #SUP  1.00;)
 &rst
  ixpk= 1533, nxpk= 0, iat= 141,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr2= 699, 700, 701,
 &end
#
#  14 ARG  HB2    41 TRP  HE3    5.42             (#peak  1537 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1537, nxpk= 0, iat= 195, 650, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
#  14 ARG  HB3    41 TRP  HE3    4.59             (#peak  1538 #SUP  1.00;)
 &rst
  ixpk= 1538, nxpk= 0, iat= 196, 650, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#  14 ARG  HB3    41 TRP  HZ3    5.36             (#peak  1541 #SUP  0.89  #QF  0.78;)
 &rst
  ixpk= 1541, nxpk= 0, iat= 196, 648, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#  14 ARG  HB3    43 ASN  HA     5.88             (#peak  1543 #SUP  0.85  #QF  0.85;)
 &rst
  ixpk= 1543, nxpk= 0, iat= 196, 674, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,  &end
#
#  14 ARG  HB2    14 ARG  HD2    4.72             (#peak  1546 #SUP  0.76  #QF  0.76;)
 &rst
  ixpk= 1546, nxpk= 0, iat= 195, 201, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  14 ARG  HB3    14 ARG  HD3    4.69             (#peak  1548 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1548, nxpk= 0, iat= 196, 202, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#  14 ARG  HB2    14 ARG  HD3    4.72             (#peak  1549 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 1549, nxpk= 0, iat= 195, 202, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  14 ARG  HB3    14 ARG  QG     2.95             (#peak  1550 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 1550, nxpk= 0, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
 igr2= 198, 199,
 &end
#
#  53 CYZN  HB2    71 CYZN  HB3    4.56             (#peak  1552 #SUP  0.91  #QF  0.91;)
 &rst
  ixpk= 1552, nxpk= 0, iat= 847,1129, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#  53 CYZN  HB3    70 THR  QG2    5.29             (#peak  1554 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 1554, nxpk= 0, iat= 846,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr2=1117,1118,1119,
 &end
#
#  32 CYZN  HB3    37 HIZ+  H      5.35             (#peak  1586 #SUP  0.89  #QF  0.89;)
 &rst
  ixpk= 1586, nxpk= 0, iat= 502, 564, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#  29 LYS  H      32 CYZN  HB3    5.62             (#peak  1587 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 1587, nxpk= 0, iat= 447, 502, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,  &end
#
#  28 PRO  HA     32 CYZN  HB2    5.40             (#peak  1591 #SUP  0.90  #QF  0.90;)
 &rst
  ixpk= 1591, nxpk= 0, iat= 443, 503, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  31 THR  HA     32 CYZN  HB2    6.16             (#peak  1592 #SUP  0.35  #QF  0.35;)
 &rst
  ixpk= 1592, nxpk= 0, iat= 486, 503, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  32 CYZN  HB3    33 VAL  HA     5.33             (#peak  1593 #SUP  0.78  #QF  0.78;)
 &rst
  ixpk= 1593, nxpk= 0, iat= 502, 510, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#  32 CYZN  HB3    37 HIZ+  HB3    4.88             (#peak  1595 #SUP  0.83  #QF  0.83;)
 &rst
  ixpk= 1595, nxpk= 0, iat= 502, 569, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  32 CYZN  HB2    33 VAL  HB     5.78             (#peak  1599 #SUP  1.00;)
 &rst
  ixpk= 1599, nxpk= 0, iat= 503, 512, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
#  28 PRO  HB2    32 CYZN  HB3    4.98             (#peak  1600 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 1600, nxpk= 0, iat= 440, 502, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#  28 PRO  HB2    32 CYZN  HB2    4.93             (#peak  1601 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1601, nxpk= 0, iat= 440, 503, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#  28 PRO  HB3    32 CYZN  HB3    5.60             (#peak  1602 #SUP  0.82  #QF  0.82;)
 &rst
  ixpk= 1602, nxpk= 0, iat= 441, 502, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  66 LYS  HA     67 HIS  HB2    5.66             (#peak  1609 #SUP  0.59  #QF  0.59;)
 &rst
  ixpk= 1609, nxpk= 0, iat=1053,1077, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,  &end
#
#  67 HIS  HB3    72 GLY  HA2    5.45             (#peak  1610 #SUP  0.94  #QF  0.87;)
 &rst
  ixpk= 1610, nxpk= 0, iat=1078,1137, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#  67 HIS  HB2    72 GLY  HA2    5.15             (#peak  1611 #SUP  0.89  #QF  0.89;)
 &rst
  ixpk= 1611, nxpk= 0, iat=1077,1137, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#  67 HIS  HB3    72 GLY  HA3    5.68             (#peak  1613 #SUP  0.85  #QF  0.85;)
 &rst
  ixpk= 1613, nxpk= 0, iat=1078,1138, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,  &end
#
#  67 HIS  HB2    68 CYZN  HB2    6.16             (#peak  1614 #SUP  0.64  #QF  0.64;)
 &rst
  ixpk= 1614, nxpk= 0, iat=1077,1095, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  63 LEU  QD1    64 PRO  HD2    4.22             (#peak  1617 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1617, nxpk= 0, iat=  -1,1016, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1=1005,1006,1007,
 &end
#
#  63 LEU  QD1    76 TRP  HB2    4.70             (#peak  1619 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1619, nxpk= 0, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1=1005,1006,1007,
 &end
#
#  63 LEU  QD1    76 TRP  HB3    5.51             (#peak  1620 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 1620, nxpk= 0, iat=  -1,1208, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr1=1005,1006,1007,
 &end
#
#  63 LEU  HA     63 LEU  QD1    4.36             (#peak  1621 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1621, nxpk= 0, iat= 998,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2=1005,1006,1007,
 &end
#
#  63 LEU  QD1    76 TRP  H      5.42             (#peak  1623 #SUP  0.79  #QF  0.79;)
 &rst
  ixpk= 1623, nxpk= 0, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1=1005,1006,1007,
 &end
#
#  63 LEU  H      63 LEU  QD1    6.04             (#peak  1625 #SUP  0.95  #QF  0.93;)
 &rst
  ixpk= 1625, nxpk= 0, iat= 996,  -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
 igr2=1005,1006,1007,
 &end
#
#  63 LEU  QB     63 LEU  QD1    3.30             (#peak  1626 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 1626, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1=1000,1001,
 igr2=1005,1006,1007,
 &end
#
#  63 LEU  QB     63 LEU  QD2    3.30             (#peak  1629 #SUP  1.00;)
 &rst
  ixpk= 1629, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1=1000,1001,
 igr2=1009,1010,1011,
 &end
#
#  63 LEU  QD2    76 TRP  HB2    4.70             (#peak  1631 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1631, nxpk= 0, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1=1009,1010,1011,
 &end
#
#  63 LEU  QD2    74 PHE  HZ     5.39             (#peak  1637 #SUP  0.75  #QF  0.75;)
 &rst
  ixpk= 1637, nxpk= 0, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1=1009,1010,1011,
 &end
#
#  58 ILE  HG12   59 SER  H      5.88             (#peak  1652 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1652, nxpk= 0, iat= 921, 930, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,  &end
#
#  48 PHE  QD     58 ILE  HG12   4.41             (#peak  1655 #SUP  0.85  #QF  0.85;)
 &rst
  ixpk= 1655, nxpk= 0, iat=  -1, 921, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 763, 771,
 &end
#
#  27 LYS  HA     28 PRO  HG3    5.13             (#peak  1675 #SUP  1.00;)
 &rst
  ixpk= 1675, nxpk= 0, iat= 413, 438, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#  27 LYS  HA     28 PRO  HG2    5.10             (#peak  1676 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1676, nxpk= 0, iat= 413, 437, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  73 LEU  HA     73 LEU  HG     4.44             (#peak  1680 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 1680, nxpk= 0, iat=1144,1149, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  68 CYZN  HB3    73 LEU  HG     5.48             (#peak  1681 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 1681, nxpk= 0, iat=1094,1149, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
#  24 THR  QG2    60 LEU  HG     5.26             (#peak  1687 #SUP  0.84  #QF  0.84;)
 &rst
  ixpk= 1687, nxpk= 0, iat=  -1, 948, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1= 366, 367, 368,
 &end
#
#  25 HIS  HA     60 LEU  HG     4.73             (#peak  1688 #SUP  0.99  #QF  0.70;)
 &rst
  ixpk= 1688, nxpk= 0, iat= 376, 948, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#  59 SER  HA     60 LEU  HG     5.23             (#peak  1689 #SUP  0.52  #QF  0.52;)
 &rst
  ixpk= 1689, nxpk= 0, iat= 932, 948, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
#  16 VAL  H      60 LEU  HG     6.16             (#peak  1692 #SUP  0.78  #QF  0.43;)
 &rst
  ixpk= 1692, nxpk= 0, iat= 231, 948, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  14 ARG  H      14 ARG  QG     4.70             (#peak  1693 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1693, nxpk= 0, iat= 191,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 198, 199,
 &end
#
#  14 ARG  QG     15 VAL  QG1    5.64             (#peak  1704 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 1704, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
 igr1= 198, 199,
 igr2= 221, 222, 223,
 &end
#
#  52 PRO  HD3    75 LYS  HB2    4.09             (#peak  1706 #SUP  1.00;)
 &rst
  ixpk= 1706, nxpk= 0, iat= 830,1185, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#  52 PRO  HD2    75 LYS  HB2    4.12             (#peak  1707 #SUP  1.00;)
 &rst
  ixpk= 1707, nxpk= 0, iat= 829,1185, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#  51 CYZN  HA     52 PRO  HG3    5.12             (#peak  1710 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1710, nxpk= 0, iat= 819, 833, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#  52 PRO  HG3    75 LYS  QE     5.89             (#peak  1716 #SUP  0.75  #QF  0.75;)
 &rst
  ixpk= 1716, nxpk= 0, iat= 833,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1194,1195,
 &end
#
#  52 PRO  HG2    75 LYS  HB3    6.16             (#peak  1719 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1719, nxpk= 0, iat= 832,1186, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  52 PRO  HG3    75 LYS  HB3    4.73             (#peak  1720 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1720, nxpk= 0, iat= 833,1186, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#  50 LYS  HA     56 ARG  HG3    5.69             (#peak  1726 #SUP  0.88  #QF  0.88;)
 &rst
  ixpk= 1726, nxpk= 0, iat= 797, 881, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,  &end
#
#  50 LYS  HA     56 ARG  HG2    5.10             (#peak  1727 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 1727, nxpk= 0, iat= 797, 880, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  55 ASN  HA     56 ARG  HG3    5.77             (#peak  1728 #SUP  0.80  #QF  0.80;)
 &rst
  ixpk= 1728, nxpk= 0, iat= 861, 881, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,  &end
#
#  55 ASN  HA     56 ARG  HG2    4.79             (#peak  1729 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 1729, nxpk= 0, iat= 861, 880, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#  56 ARG  H      56 ARG  HG3    4.93             (#peak  1730 #SUP  0.89  #QF  0.89;)
 &rst
  ixpk= 1730, nxpk= 0, iat= 873, 881, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#  56 ARG  HG3    57 THR  H      5.97             (#peak  1732 #SUP  0.90  #QF  0.90;)
 &rst
  ixpk= 1732, nxpk= 0, iat= 881, 897, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,  &end
#
#  56 ARG  HG2    57 THR  H      5.61             (#peak  1733 #SUP  1.00;)
 &rst
  ixpk= 1733, nxpk= 0, iat= 880, 897, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,  &end
#
#  81 MET  QE     82 LEU  QQD    4.91             (#peak  1736 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1736, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
 igr1=1300,1301,1302,
 igr2=1315,1316,1317,1319,1320,1321,
 &end
#
#  81 MET  QE     82 LEU  H      4.84             (#peak  1738 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 1738, nxpk= 0, iat=  -1,1306, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1=1300,1301,1302,
 &end
#
#  11 GLN  HE22   81 MET  QE     5.07             (#peak  1739 #SUP  0.82  #QF  0.82;)
 &rst
  ixpk= 1739, nxpk= 0, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2=1300,1301,1302,
 &end
#
#  11 GLN  HE21   81 MET  QE     5.32             (#peak  1740 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 1740, nxpk= 0, iat= 164,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr2=1300,1301,1302,
 &end
#
#  81 MET  HA     81 MET  QE     5.23             (#peak  1741 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 1741, nxpk= 0, iat=1291,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr2=1300,1301,1302,
 &end
#
#  81 MET  QE     83 LYS  HA     5.70             (#peak  1742 #SUP  0.67  #QF  0.67;)
 &rst
  ixpk= 1742, nxpk= 0, iat=  -1,1327, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1=1300,1301,1302,
 &end
#
#  64 PRO  HD2    76 TRP  HB3    5.19             (#peak  1744 #SUP  1.00;)
 &rst
  ixpk= 1744, nxpk= 0, iat=1016,1208, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#  63 LEU  HG     64 PRO  HD2    4.82             (#peak  1747 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1747, nxpk= 0, iat=1003,1016, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#  63 LEU  QD2    64 PRO  HD2    4.22             (#peak  1749 #SUP  0.86  #QF  0.31;)
 &rst
  ixpk= 1749, nxpk= 0, iat=  -1,1016, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1=1009,1010,1011,
 &end
#
#  57 THR  QG2    64 PRO  HD2    5.48             (#peak  1751 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 1751, nxpk= 0, iat=  -1,1016, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1= 903, 904, 905,
 &end
#
#  49 PHE  QE     64 PRO  HD2    4.87             (#peak  1753 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 1753, nxpk= 0, iat=  -1,1016, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 785, 789,
 &end
#
#  49 PHE  QD     64 PRO  HD2    5.12             (#peak  1754 #SUP  1.00;)
 &rst
  ixpk= 1754, nxpk= 0, iat=  -1,1016, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 783, 791,
 &end
#
#  64 PRO  HD3    76 TRP  HB3    5.45             (#peak  1761 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1761, nxpk= 0, iat=1017,1208, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#  63 LEU  HG     64 PRO  HD3    6.16             (#peak  1764 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1764, nxpk= 0, iat=1003,1017, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  16 VAL  HB     41 TRP  HD1    5.52             (#peak  1770 #SUP  0.79  #QF  0.79;)
 &rst
  ixpk= 1770, nxpk= 0, iat= 235, 639, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,  &end
#
#  16 VAL  HB     27 LYS  HA     5.63             (#peak  1773 #SUP  1.00  #QF  0.95;)
 &rst
  ixpk= 1773, nxpk= 0, iat= 235, 413, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,  &end
#
#  16 VAL  QG2    27 LYS  HA     5.29             (#peak  1780 #SUP  1.00;)
 &rst
  ixpk= 1780, nxpk= 0, iat=  -1, 413, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 241, 242, 243,
 &end
#
#  16 VAL  QG2    41 TRP  H      5.04             (#peak  1784 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1784, nxpk= 0, iat=  -1, 631, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 241, 242, 243,
 &end
#
#  16 VAL  QG2    41 TRP  QB     5.36             (#peak  1794 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1794, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr1= 241, 242, 243,
 igr2= 635, 636,
 &end
#
#  16 VAL  QG2    39 PHE  HB2    3.89             (#peak  1795 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 1795, nxpk= 0, iat=  -1, 598, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 241, 242, 243,
 &end
#
#  16 VAL  QG2    39 PHE  HB3    3.75             (#peak  1797 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 1797, nxpk= 0, iat=  -1, 599, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 241, 242, 243,
 &end
#
#  16 VAL  QG2    28 PRO  HG3    4.27             (#peak  1798 #SUP  1.00;)
 &rst
  ixpk= 1798, nxpk= 0, iat=  -1, 438, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 241, 242, 243,
 &end
#
#  11 GLN  HA     11 GLN  QG     3.82             (#peak  1800 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 1800, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2= 159, 160,
 &end
#
#  11 GLN  HA     12 SER  QB     5.08             (#peak  1803 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1803, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 173, 174,
 &end
#
#  63 LEU  HA     64 PRO  HG3    4.93             (#peak  1807 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1807, nxpk= 0, iat= 998,1020, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#  63 LEU  HA     64 PRO  HG2    5.07             (#peak  1808 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1808, nxpk= 0, iat= 998,1019, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  27 LYS  QB     28 PRO  HD3    4.33             (#peak  1822 #SUP  1.00;)
 &rst
  ixpk= 1822, nxpk= 0, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 415, 416,
 &end
#
#  27 LYS  QB     28 PRO  HD2    4.07             (#peak  1823 #SUP  0.87  #QF  0.87;)
 &rst
  ixpk= 1823, nxpk= 0, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1= 415, 416,
 &end
#
#  87 GLY  HA3    88 PRO  QD     3.85             (#peak  1826 #SUP  0.49  #QF  0.49;)
 &rst
  ixpk= 1826, nxpk= 0, iat=1401,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2=1406,1407,
 &end
#
#   4 GLY  QA      5 MET  QE     6.16             (#peak  1829 #SUP  0.99  #QF  0.98;)
 &rst
  ixpk= 1829, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
 igr1=  44,  45,
 igr2=  60,  61,  62,
 &end
#
#  61 ASP  HB3    64 PRO  HA     6.16             (#peak  1840 #SUP  0.80  #QF  0.80;)
 &rst
  ixpk= 1840, nxpk= 0, iat= 965,1025, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  61 ASP  HB2    64 PRO  HA     6.16             (#peak  1842 #SUP  0.93  #QF  0.71;)
 &rst
  ixpk= 1842, nxpk= 0, iat= 964,1025, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  50 LYS  HA     50 LYS  QE     4.95             (#peak  1851 #SUP  0.76  #QF  0.76;)
 &rst
  ixpk= 1851, nxpk= 0, iat= 797,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 808, 809,
 &end
#
#  50 LYS  QE     51 CYZN  H      5.38             (#peak  1852 #SUP  0.51  #QF  0.51;)
 &rst
  ixpk= 1852, nxpk= 0, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 808, 809,
 &end
#
#  50 LYS  HG3    50 LYS  QE     3.11             (#peak  1854 #SUP  0.59  #QF  0.59;)
 &rst
  ixpk= 1854, nxpk= 0, iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr2= 808, 809,
 &end
#
#  46 LYS  HG2    46 LYS  HE3    4.49             (#peak  1863 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 1863, nxpk= 0, iat= 716, 723, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  46 LYS  HG3    46 LYS  HE3    4.46             (#peak  1864 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 1864, nxpk= 0, iat= 717, 723, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  46 LYS  HE3    58 ILE  QG2    5.08             (#peak  1865 #SUP  0.98  #QF  0.95;)
 &rst
  ixpk= 1865, nxpk= 0, iat= 723,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr2= 917, 918, 919,
 &end
#
#  46 LYS  HG2    46 LYS  HE2    4.49             (#peak  1866 #SUP  1.00;)
 &rst
  ixpk= 1866, nxpk= 0, iat= 716, 722, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  46 LYS  HG3    46 LYS  HE2    4.46             (#peak  1867 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 1867, nxpk= 0, iat= 717, 722, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  46 LYS  HE2    58 ILE  QG2    5.08             (#peak  1868 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1868, nxpk= 0, iat= 722,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr2= 917, 918, 919,
 &end
#
#  26 PHE  QD     46 LYS  HE2    5.40             (#peak  1881 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1881, nxpk= 0, iat=  -1, 722, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 399, 407,
 &end
#
#  20 THR  H      38 ASP  HB2    5.34             (#peak  1882 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1882, nxpk= 0, iat= 293, 586, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
#  19 LYS  H      38 ASP  HB2    5.25             (#peak  1885 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 1885, nxpk= 0, iat= 271, 586, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#  37 HIZ+  HB3    38 ASP  HB2    5.54             (#peak  1890 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 1890, nxpk= 0, iat= 569, 586, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,  &end
#
#  19 LYS  HB2    38 ASP  HB3    4.37             (#peak  1894 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 1894, nxpk= 0, iat= 275, 587, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#  56 ARG  HB3    56 ARG  QD     3.75             (#peak  1895 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1895, nxpk= 0, iat= 878,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr2= 883, 884,
 &end
#
#  50 LYS  QB     56 ARG  QD     3.79             (#peak  1897 #SUP  1.00  #QF  0.79;)
 &rst
  ixpk= 1897, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 799, 800,
 igr2= 883, 884,
 &end
#
#  50 LYS  QD     56 ARG  QD     4.30             (#peak  1897 #SUP  1.00  #QF  0.79;)
 &rst
  ixpk= 1897, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 805, 806,
 igr2= 883, 884,
 &end
#
#  56 ARG  QD     79 VAL  QG1    4.63             (#peak  1898 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1898, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 883, 884,
 igr2=1272,1273,1274,
 &end
#
#  50 LYS  HG2    56 ARG  QD     4.61             (#peak  1899 #SUP  0.91  #QF  0.91;)
 &rst
  ixpk= 1899, nxpk= 0, iat= 802,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr2= 883, 884,
 &end
#
#  50 LYS  HG3    56 ARG  QD     4.77             (#peak  1900 #SUP  0.85  #QF  0.85;)
 &rst
  ixpk= 1900, nxpk= 0, iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2= 883, 884,
 &end
#
#  55 ASN  HA     56 ARG  QD     5.24             (#peak  1901 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 1901, nxpk= 0, iat= 861,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 883, 884,
 &end
#
#  56 ARG  HA     56 ARG  QD     4.51             (#peak  1902 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1902, nxpk= 0, iat= 875,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 883, 884,
 &end
#
#  14 ARG  HA     14 ARG  HD2    5.33             (#peak  1910 #SUP  0.90  #QF  0.85;)
 &rst
  ixpk= 1910, nxpk= 0, iat= 193, 201, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#  14 ARG  HA     14 ARG  HD3    5.33             (#peak  1911 #SUP  1.00;)
 &rst
  ixpk= 1911, nxpk= 0, iat= 193, 202, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#  14 ARG  HD3    43 ASN  HA     6.16             (#peak  1912 #SUP  0.68  #QF  0.68;)
 &rst
  ixpk= 1912, nxpk= 0, iat= 202, 674, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  14 ARG  HD2    15 VAL  H      6.01             (#peak  1915 #SUP  0.84  #QF  0.84;)
 &rst
  ixpk= 1915, nxpk= 0, iat= 201, 215, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,  &end
#
#  14 ARG  HD3    15 VAL  H      6.01             (#peak  1916 #SUP  0.87  #QF  0.87;)
 &rst
  ixpk= 1916, nxpk= 0, iat= 202, 215, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,  &end
#
#   9 ARG  HB3     9 ARG  QD     4.10             (#peak  1926 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1926, nxpk= 0, iat= 118,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 123, 124,
 &end
#
#  61 ASP  HA     62 ARG  HG3    5.61             (#peak  1928 #SUP  0.89  #QF  0.89;)
 &rst
  ixpk= 1928, nxpk= 0, iat= 962, 980, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,  &end
#
#  62 ARG  HG2    63 LEU  H      5.23             (#peak  1930 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 1930, nxpk= 0, iat= 979, 996, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
#  78 ARG  HB3    78 ARG  HD3    4.66             (#peak  1936 #SUP  1.00;)
 &rst
  ixpk= 1936, nxpk= 0, iat=1247,1253, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#  78 ARG  HB3    78 ARG  HD2    4.66             (#peak  1937 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1937, nxpk= 0, iat=1247,1252, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#  78 ARG  HB3    79 VAL  H      5.01             (#peak  1939 #SUP  1.00;)
 &rst
  ixpk= 1939, nxpk= 0, iat=1247,1266, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
#  78 ARG  HB2    79 VAL  H      5.20             (#peak  1940 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1940, nxpk= 0, iat=1246,1266, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  49 PHE  QE     78 ARG  HB2    4.80             (#peak  1942 #SUP  0.91  #QF  0.91;)
 &rst
  ixpk= 1942, nxpk= 0, iat=  -1,1246, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 785, 789,
 &end
#
#  61 ASP  HA     62 ARG  QB     5.40             (#peak  1943 #SUP  0.90  #QF  0.90;)
 &rst
  ixpk= 1943, nxpk= 0, iat= 962,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr2= 976, 977,
 &end
#
#   9 ARG  HG3    80 GLY  HA2    5.06             (#peak  1949 #SUP  0.98  #QF  0.96;)
 &rst
  ixpk= 1949, nxpk= 0, iat= 121,1284, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#   9 ARG  HA      9 ARG  HG2    4.37             (#peak  1950 #SUP  0.90  #QF  0.90;)
 &rst
  ixpk= 1950, nxpk= 0, iat= 115, 120, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#  78 ARG  H      78 ARG  QG     4.72             (#peak  1954 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 1954, nxpk= 0, iat=1242,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1249,1250,
 &end
#
#   8 ILE  QG2     9 ARG  HG2    5.29             (#peak  1955 #SUP  0.79  #QF  0.79;)
 &rst
  ixpk= 1955, nxpk= 0, iat=  -1, 120, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 100, 101, 102,
 &end
#
#  50 LYS  HG2    50 LYS  QE     3.92             (#peak  1959 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1959, nxpk= 0, iat= 802,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 808, 809,
 &end
#
#  50 LYS  HG3    56 ARG  HB3    6.15             (#peak  1960 #SUP  0.90  #QF  0.90;)
 &rst
  ixpk= 1960, nxpk= 0, iat= 803, 878, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,  &end
#
#  50 LYS  HG2    77 GLU  HB3    5.36             (#peak  1961 #SUP  0.87  #QF  0.87;)
 &rst
  ixpk= 1961, nxpk= 0, iat= 802,1232, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#   8 ILE  QG2     9 ARG  QD     4.98             (#peak  1964 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 1964, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr1= 100, 101, 102,
 igr2= 123, 124,
 &end
#
#   8 ILE  HA      9 ARG  QD     6.06             (#peak  1965 #SUP  0.94  #QF  0.70;)
 &rst
  ixpk= 1965, nxpk= 0, iat=  96,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr2= 123, 124,
 &end
#
#  26 PHE  H      26 PHE  HB2    4.57             (#peak  1971 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1971, nxpk= 0, iat= 391, 395, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  51 CYZN  H      55 ASN  HB3    5.39             (#peak  1986 #SUP  0.82  #QF  0.82;)
 &rst
  ixpk= 1986, nxpk= 0, iat= 817, 864, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#  54 GLY  H      55 ASN  HB2    5.25             (#peak  1989 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 1989, nxpk= 0, iat= 852, 863, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#  54 GLY  H      55 ASN  HB3    5.28             (#peak  1990 #SUP  0.91  #QF  0.91;)
 &rst
  ixpk= 1990, nxpk= 0, iat= 852, 864, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  51 CYZN  HB2    55 ASN  HB2    5.36             (#peak  2000 #SUP  0.82  #QF  0.82;)
 &rst
  ixpk= 2000, nxpk= 0, iat= 821, 863, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#  51 CYZN  HB2    55 ASN  HB3    4.96             (#peak  2001 #SUP  0.81  #QF  0.81;)
 &rst
  ixpk= 2001, nxpk= 0, iat= 821, 864, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  55 ASN  HB3    70 THR  QG2    5.70             (#peak  2003 #SUP  0.91  #QF  0.91;)
 &rst
  ixpk= 2003, nxpk= 0, iat= 864,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr2=1117,1118,1119,
 &end
#
#  43 ASN  HB2    44 GLY  H      5.14             (#peak  2012 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 2012, nxpk= 0, iat= 676, 686, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#  14 ARG  HA     43 ASN  HB2    5.16             (#peak  2017 #SUP  0.83  #QF  0.83;)
 &rst
  ixpk= 2017, nxpk= 0, iat= 193, 676, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#  14 ARG  HA     43 ASN  HB3    5.02             (#peak  2018 #SUP  0.89  #QF  0.89;)
 &rst
  ixpk= 2018, nxpk= 0, iat= 193, 677, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#  12 SER  QB     43 ASN  HB2    6.16             (#peak  2021 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 2021, nxpk= 0, iat=  -1, 676, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1= 173, 174,
 &end
#
#  65 LYS  HA     65 LYS  QE     5.91             (#peak  2023 #SUP  1.00;)
 &rst
  ixpk= 2023, nxpk= 0, iat=1031,  -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr2=1042,1043,
 &end
#
#  65 LYS  QB     65 LYS  QE     4.85             (#peak  2026 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 2026, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1=1033,1034,
 igr2=1042,1043,
 &end
#
#  66 LYS  QD     66 LYS  QE     3.34             (#peak  2027 #SUP  0.99  #QF  0.98;)
 &rst
  ixpk= 2027, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1=1061,1062,
 igr2=1064,1065,
 &end
#
#  68 CYZN  HB3    72 GLY  HA2    5.26             (#peak  2032 #SUP  1.00  #QF  0.91;)
 &rst
  ixpk= 2032, nxpk= 0, iat=1094,1137, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
#  68 CYZN  HB2    70 THR  HB     6.16             (#peak  2033 #SUP  1.00  #QF  0.98;)
 &rst
  ixpk= 2033, nxpk= 0, iat=1095,1115, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  68 CYZN  HB2    72 GLY  HA2    6.16             (#peak  2033 #SUP  1.00  #QF  0.98;)
 &rst
  ixpk= 2033, nxpk= 0, iat=1095,1137, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  81 MET  QG     82 LEU  QQD    4.38             (#peak  2044 #SUP  0.92  #QF  0.92;)
 &rst
  ixpk= 2044, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr1=1296,1297,
 igr2=1315,1316,1317,1319,1320,1321,
 &end
#
#  81 MET  HA     81 MET  QG     3.83             (#peak  2046 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 2046, nxpk= 0, iat=1291,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2=1296,1297,
 &end
#
#  48 PHE  QD     81 MET  QG     4.54             (#peak  2048 #SUP  0.56  #QF  0.21;)
 &rst
  ixpk= 2048, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 763, 771,
 igr2=1296,1297,
 &end
#
#  48 PHE  QE     81 MET  QG     4.72             (#peak  2048 #SUP  0.56  #QF  0.21;)
 &rst
  ixpk= 2048, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1= 765, 769,
 igr2=1296,1297,
 &end
#
#  81 MET  QG     82 LEU  H      4.01             (#peak  2049 #SUP  0.98  #QF  0.25;)
 &rst
  ixpk= 2049, nxpk= 0, iat=  -1,1306, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1=1296,1297,
 &end
#
#  56 ARG  QD     79 VAL  QG2    4.35             (#peak  2051 #SUP  0.91  #QF  0.91;)
 &rst
  ixpk= 2051, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 883, 884,
 igr2=1276,1277,1278,
 &end
#
#  50 LYS  HA     56 ARG  QD     4.92             (#peak  2053 #SUP  1.00;)
 &rst
  ixpk= 2053, nxpk= 0, iat= 797,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 883, 884,
 &end
#
#  50 LYS  HA     50 LYS  QD     5.49             (#peak  2056 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 2056, nxpk= 0, iat= 797,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2= 805, 806,
 &end
#
#  56 ARG  HB2    56 ARG  QD     4.08             (#peak  2058 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 2058, nxpk= 0, iat= 877,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2= 883, 884,
 &end
#
#  47 ARG  HB3    49 PHE  QE     4.61             (#peak  2063 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 2063, nxpk= 0, iat= 736,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr2= 785, 789,
 &end
#
#  47 ARG  HB3    47 ARG  HD3    4.68             (#peak  2068 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 2068, nxpk= 0, iat= 736, 742, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#  46 LYS  HA     46 LYS  HG2    4.26             (#peak  2070 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 2070, nxpk= 0, iat= 711, 716, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  22 LYS  HA     22 LYS  QG     3.58             (#peak  2071 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 2071, nxpk= 0, iat= 319,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 324, 325,
 &end
#
#  21 CYZN  HB2    22 LYS  HA     5.62             (#peak  2074 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 2074, nxpk= 0, iat= 312, 319, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,  &end
#
#  22 LYS  HA     22 LYS  QD     5.01             (#peak  2076 #SUP  0.97  #QF  0.39;)
 &rst
  ixpk= 2076, nxpk= 0, iat= 319,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2= 327, 328,
 &end
#
#  22 LYS  HA     23 TYR  HA     5.56             (#peak  2077 #SUP  0.83  #QF  0.83;)
 &rst
  ixpk= 2077, nxpk= 0, iat= 319, 341, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,  &end
#
#  21 CYZN  H      22 LYS  HA     4.74             (#peak  2079 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 2079, nxpk= 0, iat= 307, 319, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#  19 LYS  HA     21 CYZN  H      5.63             (#peak  2082 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 2082, nxpk= 0, iat= 273, 307, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,  &end
#
#  19 LYS  HA     23 TYR  H      5.38             (#peak  2084 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 2084, nxpk= 0, iat= 273, 339, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#  19 LYS  HA     19 LYS  QE     4.94             (#peak  2086 #SUP  0.78  #QF  0.78;)
 &rst
  ixpk= 2086, nxpk= 0, iat= 273,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 284, 285,
 &end
#
#  19 LYS  HA     19 LYS  HG3    4.24             (#peak  2088 #SUP  1.00;)
 &rst
  ixpk= 2088, nxpk= 0, iat= 273, 279, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  19 LYS  HA     22 LYS  QG     4.96             (#peak  2089 #SUP  0.86  #QF  0.86;)
 &rst
  ixpk= 2089, nxpk= 0, iat= 273,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 324, 325,
 &end
#
#  19 LYS  HA     19 LYS  QD     4.72             (#peak  2092 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 2092, nxpk= 0, iat= 273,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 281, 282,
 &end
#
#  61 ASP  HA     62 ARG  HA     4.93             (#peak  2097 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 2097, nxpk= 0, iat= 962, 974, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#  30 GLU  HA     34 SER  H      4.77             (#peak  2102 #SUP  0.90  #QF  0.90;)
 &rst
  ixpk= 2102, nxpk= 0, iat= 471, 524, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  30 GLU  HA     33 VAL  H      4.27             (#peak  2104 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 2104, nxpk= 0, iat= 471, 508, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#  30 GLU  HA     33 VAL  HB     4.24             (#peak  2107 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 2107, nxpk= 0, iat= 471, 512, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  30 GLU  HA     30 GLU  QB     3.14             (#peak  2108 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 2108, nxpk= 0, iat= 471,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr2= 473, 474,
 &end
#
#  28 PRO  HB2    30 GLU  HA     6.16             (#peak  2109 #SUP  0.83  #QF  0.83;)
 &rst
  ixpk= 2109, nxpk= 0, iat= 440, 471, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  30 GLU  HA     31 THR  QG2    6.00             (#peak  2110 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 2110, nxpk= 0, iat= 471,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 490, 491, 492,
 &end
#
#  21 CYZN  HA     22 LYS  QG     5.02             (#peak  2116 #SUP  1.00;)
 &rst
  ixpk= 2116, nxpk= 0, iat= 309,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 324, 325,
 &end
#
#  21 CYZN  HA     22 LYS  QD     5.48             (#peak  2117 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 2117, nxpk= 0, iat= 309,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2= 327, 328,
 &end
#
#  21 CYZN  HA     23 TYR  QD     4.78             (#peak  2119 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 2119, nxpk= 0, iat= 309,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2= 347, 356,
 &end
#
#  33 VAL  HB     34 SER  HB3    6.09             (#peak  2126 #SUP  0.99  #QF  0.86;)
 &rst
  ixpk= 2126, nxpk= 0, iat= 512, 529, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,  &end
#
#  33 VAL  HB     34 SER  HB2    4.96             (#peak  2127 #SUP  0.82  #QF  0.82;)
 &rst
  ixpk= 2127, nxpk= 0, iat= 512, 528, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  31 THR  QG2    34 SER  HB3    5.44             (#peak  2128 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 2128, nxpk= 0, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 490, 491, 492,
 &end
#
#  31 THR  QG2    34 SER  HB2    6.16             (#peak  2129 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 2129, nxpk= 0, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
 igr1= 490, 491, 492,
 &end
#
#  52 PRO  HA     54 GLY  H      4.59             (#peak  2135 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 2135, nxpk= 0, iat= 838, 852, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#  69 SER  H      69 SER  HB2    4.14             (#peak  2136 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 2136, nxpk= 0, iat=1100,1104, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  59 SER  HA     64 PRO  HA     5.92             (#peak  2138 #SUP  0.86  #QF  0.86;)
 &rst
  ixpk= 2138, nxpk= 0, iat= 932,1025, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
#  16 VAL  QG2    28 PRO  HA     4.88             (#peak  2143 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 2143, nxpk= 0, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 241, 242, 243,
 &end
#
#  10 GLU  HB2    45 VAL  HA     5.78             (#peak  2145 #SUP  0.30  #QF  0.30;)
 &rst
  ixpk= 2145, nxpk= 0, iat= 141, 695, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
#  28 PRO  HA     29 LYS  HA     5.07             (#peak  2147 #SUP  0.75  #QF  0.75;)
 &rst
  ixpk= 2147, nxpk= 0, iat= 443, 449, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  23 TYR  QE     28 PRO  HA     4.11             (#peak  2148 #SUP  0.76  #QF  0.76;)
 &rst
  ixpk= 2148, nxpk= 0, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 349, 354,
 &end
#
#  28 PRO  HA     39 PHE  QE     6.16             (#peak  2150 #SUP  0.58  #QF  0.58;)
 &rst
  ixpk= 2150, nxpk= 0, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr2= 604, 608,
 &end
#
#  13 CYS  H      45 VAL  HA     3.68             (#peak  2151 #SUP  0.98  #QF  0.84;)
 &rst
  ixpk= 2151, nxpk= 0, iat= 180, 695, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
#  15 VAL  HA     26 PHE  HA     3.81             (#peak  2157 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 2157, nxpk= 0, iat= 217, 393, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#  78 ARG  QG     79 VAL  HA     5.08             (#peak  2161 #SUP  0.79  #QF  0.79;)
 &rst
  ixpk= 2161, nxpk= 0, iat=  -1,1268, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1=1249,1250,
 &end
#
#  50 LYS  QB     79 VAL  HA     5.47             (#peak  2162 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 2162, nxpk= 0, iat=  -1,1268, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1= 799, 800,
 &end
#
#  49 PHE  HA     79 VAL  HA     6.00             (#peak  2164 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 2164, nxpk= 0, iat= 777,1268, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  16 VAL  H      26 PHE  HA     4.63             (#peak  2167 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 2167, nxpk= 0, iat= 231, 393, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  15 VAL  HB     26 PHE  HA     4.57             (#peak  2173 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 2173, nxpk= 0, iat= 219, 393, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  15 VAL  QG2    26 PHE  HA     5.31             (#peak  2176 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 2176, nxpk= 0, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr1= 225, 226, 227,
 &end
#
#  16 VAL  HA     41 TRP  QB     5.13             (#peak  2183 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 2183, nxpk= 0, iat= 233,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 635, 636,
 &end
#
#   7 SER  HA      8 ILE  HG12   5.80             (#peak  2187 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 2187, nxpk= 0, iat=  85, 104, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#   7 SER  HA      8 ILE  HG13   5.80             (#peak  2188 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 2188, nxpk= 0, iat=  85, 105, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#   9 ARG  HA     10 GLU  HA     5.62             (#peak  2194 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 2194, nxpk= 0, iat= 115, 139, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,  &end
#
#   8 ILE  QG2     9 ARG  HA     4.72             (#peak  2197 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 2197, nxpk= 0, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 100, 101, 102,
 &end
#
#  65 LYS  HA     65 LYS  QB     3.38             (#peak  2200 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 2200, nxpk= 0, iat=1031,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2=1033,1034,
 &end
#
#  64 PRO  HB2    65 LYS  HA     6.16             (#peak  2201 #SUP  0.75  #QF  0.27;)
 &rst
  ixpk= 2201, nxpk= 0, iat=1022,1031, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  74 PHE  HA     74 PHE  QE     5.38             (#peak  2208 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 2208, nxpk= 0, iat=1163,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr2=1171,1175,
 &end
#
#  84 GLU  HA     84 GLU  QG     3.79             (#peak  2214 #SUP  1.00;)
 &rst
  ixpk= 2214, nxpk= 0, iat=1349,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2=1354,1355,
 &end
#
#  89 LYS  HA     90 LEU  H      3.48             (#peak  2218 #SUP  0.37  #QF  0.37;)
 &rst
  ixpk= 2218, nxpk= 0, iat=1421,1441, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#   3 MET  HA      3 MET  QG     4.75             (#peak  2222 #SUP  0.99  #QF  0.92;)
 &rst
  ixpk= 2222, nxpk= 0, iat=  27,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2=  32,  33,
 &end
#
#  46 LYS  QD     48 PHE  QE     4.52             (#peak  2224 #SUP  0.99  #QF  0.87;)
 &rst
  ixpk= 2224, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 719, 720,
 igr2= 765, 769,
 &end
#
#  11 GLN  HE22   46 LYS  QD     6.04             (#peak  2226 #SUP  0.62  #QF  0.62;)
 &rst
  ixpk= 2226, nxpk= 0, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
 igr2= 719, 720,
 &end
#
#  46 LYS  HG3    58 ILE  QG2    4.48             (#peak  2229 #SUP  1.00  #QF  0.99;)
 &rst
  ixpk= 2229, nxpk= 0, iat= 717,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2= 917, 918, 919,
 &end
#
#  46 LYS  HG2    47 ARG  HA     5.35             (#peak  2237 #SUP  0.98  #QF  0.96;)
 &rst
  ixpk= 2237, nxpk= 0, iat= 716, 733, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#  26 PHE  QD     46 LYS  HG2    6.16             (#peak  2241 #SUP  0.79  #QF  0.79;)
 &rst
  ixpk= 2241, nxpk= 0, iat=  -1, 716, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1= 399, 407,
 &end
#
#  46 LYS  HG2    48 PHE  QE     5.62             (#peak  2242 #SUP  1.00  #QF  0.88;)
 &rst
  ixpk= 2242, nxpk= 0, iat= 716,  -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
 igr2= 765, 769,
 &end
#
#  46 LYS  HG2    48 PHE  HZ     5.85             (#peak  2242 #SUP  1.00  #QF  0.88;)
 &rst
  ixpk= 2242, nxpk= 0, iat= 716, 767, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,  &end
#
#  26 PHE  QE     46 LYS  HG2    5.54             (#peak  2243 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 2243, nxpk= 0, iat=  -1, 716, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 401, 405,
 &end
#
#  46 LYS  HA     46 LYS  QD     4.85             (#peak  2247 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 2247, nxpk= 0, iat= 711,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2= 719, 720,
 &end
#
#  13 CYS  H      46 LYS  QD     5.30             (#peak  2251 #SUP  0.43  #QF  0.43;)
 &rst
  ixpk= 2251, nxpk= 0, iat= 180,  -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr2= 719, 720,
 &end
#
#  47 ARG  HB2    48 PHE  H      5.16             (#peak  2261 #SUP  0.90  #QF  0.90;)
 &rst
  ixpk= 2261, nxpk= 0, iat= 735, 755, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#  47 ARG  HB3    47 ARG  HD2    4.68             (#peak  2270 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 2270, nxpk= 0, iat= 736, 741, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#  47 ARG  HA     47 ARG  HD2    5.33             (#peak  2272 #SUP  0.73  #QF  0.73;)
 &rst
  ixpk= 2272, nxpk= 0, iat= 733, 741, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#   7 SER  H       7 SER  QB     3.85             (#peak  2276 #SUP  0.67  #QF  0.67;)
 &rst
  ixpk= 2276, nxpk= 0, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2=  87,  88,
 &end
#
#  33 VAL  H      34 SER  HB2    5.63             (#peak  2278 #SUP  0.78  #QF  0.78;)
 &rst
  ixpk= 2278, nxpk= 0, iat= 508, 528, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,  &end
#
#  78 ARG  HA     78 ARG  HD3    4.75             (#peak  2279 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 2279, nxpk= 0, iat=1244,1253, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  16 VAL  QG1    41 TRP  HA     6.10             (#peak  2280 #SUP  0.92  #QF  0.89;)
 &rst
  ixpk= 2280, nxpk= 0, iat=  -1, 633, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1= 237, 238, 239,
 &end
#
#  16 VAL  HA     16 VAL  QG1    4.01             (#peak  2281 #SUP  0.55  #QF  0.55;)
 &rst
  ixpk= 2281, nxpk= 0, iat= 233,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 237, 238, 239,
 &end
#
#  73 LEU  QD1    75 LYS  HG3    4.28             (#peak  2287 #SUP  0.89  #QF  0.89;)
 &rst
  ixpk= 2287, nxpk= 0, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=1151,1152,1153,
 &end
#
#  22 LYS  QG     22 LYS  QE     4.27             (#peak  2299 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 2299, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 324, 325,
 igr2= 330, 331,
 &end
#
#  35 GLU  HA     37 HIZ+  HD2    5.04             (#peak  2313 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 2313, nxpk= 0, iat= 537, 575, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#  82 LEU  HA     82 LEU  QB     3.11             (#peak  2314 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 2314, nxpk= 0, iat=1308,  -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr2=1310,1311,
 &end
#
#  81 MET  QG     82 LEU  HA     5.12             (#peak  2315 #SUP  0.73  #QF  0.73;)
 &rst
  ixpk= 2315, nxpk= 0, iat=  -1,1308, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1=1296,1297,
 &end
#
#  82 LEU  HA     83 LYS  H      3.10             (#peak  2317 #SUP  0.72  #QF  0.72;)
 &rst
  ixpk= 2317, nxpk= 0, iat=1308,1325, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
#  35 GLU  HA     35 GLU  HG2    4.17             (#peak  2321 #SUP  1.00  #QF  0.98;)
 &rst
  ixpk= 2321, nxpk= 0, iat= 537, 542, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  68 CYZN  HB3    74 PHE  HA     6.16             (#peak  2323 #SUP  0.83  #QF  0.83;)
 &rst
  ixpk= 2323, nxpk= 0, iat=1094,1163, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  37 HIZ+  HB3    38 ASP  HA     5.34             (#peak  2325 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 2325, nxpk= 0, iat= 569, 584, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
#  77 GLU  HA     77 GLU  HG2    4.28             (#peak  2328 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 2328, nxpk= 0, iat=1229,1234, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  77 GLU  HA     77 GLU  HG3    4.28             (#peak  2329 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 2329, nxpk= 0, iat=1229,1235, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  77 GLU  HG2    79 VAL  HA     5.95             (#peak  2330 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 2330, nxpk= 0, iat=1234,1268, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,  &end
#
#  77 GLU  HG3    79 VAL  HA     5.95             (#peak  2331 #SUP  0.73  #QF  0.73;)
 &rst
  ixpk= 2331, nxpk= 0, iat=1235,1268, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,  &end
#
#  10 GLU  HA     10 GLU  QG     4.03             (#peak  2336 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 2336, nxpk= 0, iat= 139,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2= 144, 145,
 &end
#
#   9 ARG  HA     10 GLU  QG     5.76             (#peak  2337 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 2337, nxpk= 0, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr2= 144, 145,
 &end
#
#  10 GLU  QG     47 ARG  HA     6.13             (#peak  2338 #SUP  0.89  #QF  0.89;)
 &rst
  ixpk= 2338, nxpk= 0, iat=  -1, 733, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
 igr1= 144, 145,
 &end
#
#  10 GLU  QG     48 PHE  QE     6.16             (#peak  2339 #SUP  0.76  #QF  0.76;)
 &rst
  ixpk= 2339, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
 igr1= 144, 145,
 igr2= 765, 769,
 &end
#
#   8 ILE  HB     10 GLU  QG     3.66             (#peak  2343 #SUP  0.95  #QF  0.46;)
 &rst
  ixpk= 2343, nxpk= 0, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 144, 145,
 &end
#
#  10 GLU  QG     45 VAL  QG2    4.70             (#peak  2344 #SUP  0.87  #QF  0.87;)
 &rst
  ixpk= 2344, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 144, 145,
 igr2= 703, 704, 705,
 &end
#
#  68 CYZN  HB3    76 TRP  HZ2    5.60             (#peak  2348 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 2348, nxpk= 0, iat=1094,1216, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  68 CYZN  HB2    76 TRP  HZ2    4.51             (#peak  2349 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 2349, nxpk= 0, iat=1095,1216, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  51 CYZN  HB2    76 TRP  HZ2    5.80             (#peak  2350 #SUP  0.90  #QF  0.90;)
 &rst
  ixpk= 2350, nxpk= 0, iat= 821,1216, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  57 THR  HB     76 TRP  HZ2    4.12             (#peak  2352 #SUP  0.72  #QF  0.72;)
 &rst
  ixpk= 2352, nxpk= 0, iat= 901,1216, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#  48 PHE  QD     58 ILE  QG2    3.58             (#peak  2353 #SUP  1.00  #QF  0.98;)
 &rst
  ixpk= 2353, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 763, 771,
 igr2= 917, 918, 919,
 &end
#
#   9 ARG  HG3    10 GLU  HA     5.70             (#peak  2363 #SUP  0.76  #QF  0.76;)
 &rst
  ixpk= 2363, nxpk= 0, iat= 121, 139, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  28 PRO  HD3    41 TRP  HH2    4.17             (#peak  2366 #SUP  1.00;)
 &rst
  ixpk= 2366, nxpk= 0, iat= 435, 646, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  28 PRO  HD2    41 TRP  HH2    4.33             (#peak  2367 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 2367, nxpk= 0, iat= 434, 646, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#  31 THR  HA     34 SER  HB3    4.14             (#peak  2373 #SUP  0.77  #QF  0.77;)
 &rst
  ixpk= 2373, nxpk= 0, iat= 486, 529, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  32 CYZN  HA     35 GLU  HB3    5.63             (#peak  2374 #SUP  1.00;)
 &rst
  ixpk= 2374, nxpk= 0, iat= 500, 540, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,  &end
#
#  31 THR  QG2    32 CYZN  HA     6.09             (#peak  2376 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 2376, nxpk= 0, iat=  -1, 500, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
 igr1= 490, 491, 492,
 &end
#
#  32 CYZN  HA     37 HIZ+  HA     6.10             (#peak  2378 #SUP  0.88  #QF  0.88;)
 &rst
  ixpk= 2378, nxpk= 0, iat= 500, 566, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  31 THR  HA     32 CYZN  HA     5.95             (#peak  2379 #SUP  1.00;)
 &rst
  ixpk= 2379, nxpk= 0, iat= 486, 500, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,  &end
#
#  31 THR  HB     32 CYZN  HA     6.16             (#peak  2379 #SUP  1.00;)
 &rst
  ixpk= 2379, nxpk= 0, iat= 488, 500, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  32 CYZN  HA     33 VAL  HA     5.48             (#peak  2380 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 2380, nxpk= 0, iat= 500, 510, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
#  32 CYZN  HA     37 HIZ+  HB3    5.10             (#peak  2381 #SUP  1.00;)
 &rst
  ixpk= 2381, nxpk= 0, iat= 500, 569, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  47 ARG  HB2    59 SER  HB3    5.34             (#peak  2389 #SUP  1.00  #QF  0.99;)
 &rst
  ixpk= 2389, nxpk= 0, iat= 735, 935, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
#  59 SER  HB3    64 PRO  HB3    5.75             (#peak  2389 #SUP  1.00  #QF  0.99;)
 &rst
  ixpk= 2389, nxpk= 0, iat= 935,1023, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,  &end
#
#  15 VAL  HA     41 TRP  HZ3    5.04             (#peak    23 #SUP  0.99  #QF  0.86;)
 &rst
  ixpk= 23, nxpk= 0, iat= 217, 648, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#  27 LYS  HA     41 TRP  HZ3    5.78             (#peak    23 #SUP  0.99  #QF  0.86;)
 &rst
  ixpk= 23, nxpk= 0, iat= 413, 648, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
#  14 ARG  HB3    14 ARG  HE     5.32             (#peak    24 #SUP  0.99  #QF  0.40;)
 &rst
  ixpk= 24, nxpk= 0, iat= 196, 204, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
#  41 TRP  HE3    42 HIS  H      4.41             (#peak    27 #SUP  1.00;)
 &rst
  ixpk= 27, nxpk= 0, iat= 650, 655, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#  74 PHE  HZ     76 TRP  HD1    4.44             (#peak    28 #SUP  1.00;)
 &rst
  ixpk= 28, nxpk= 0, iat=1173,1211, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  50 LYS  HA     76 TRP  HZ3    4.14             (#peak    34 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 34, nxpk= 0, iat= 797,1220, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  56 ARG  HA     76 TRP  HZ3    4.10             (#peak    35 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 35, nxpk= 0, iat= 875,1220, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  74 PHE  QD     76 TRP  HD1    4.20             (#peak    44 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 44, nxpk= 0, iat=  -1,1211, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1=1169,1177,
 &end
#
#  39 PHE  HA     40 HIS  HD2    5.51             (#peak    50 #SUP  0.89  #QF  0.89;)
 &rst
  ixpk= 50, nxpk= 0, iat= 596, 627, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,  &end
#
#  49 PHE  H      56 ARG  HA     6.16             (#peak    54 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 54, nxpk= 0, iat= 775, 875, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  56 ARG  HA     76 TRP  HE3    5.38             (#peak    57 #SUP  0.98  #QF  0.94;)
 &rst
  ixpk= 57, nxpk= 0, iat= 875,1222, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#  56 ARG  HA     76 TRP  HH2    5.78             (#peak    57 #SUP  0.98  #QF  0.94;)
 &rst
  ixpk= 57, nxpk= 0, iat= 875,1218, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
#  50 LYS  HA     77 GLU  H      5.40             (#peak    59 #SUP  0.63  #QF  0.63;)
 &rst
  ixpk= 59, nxpk= 0, iat= 797,1227, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  50 LYS  HA     76 TRP  HE3    4.49             (#peak    63 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 63, nxpk= 0, iat= 797,1222, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  50 LYS  HA     56 ARG  HA     3.73             (#peak    64 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 64, nxpk= 0, iat= 797, 875, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#  49 PHE  HA     49 PHE  QD     3.94             (#peak    68 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 68, nxpk= 0, iat= 777,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 783, 791,
 &end
#
#  23 TYR  QE     24 THR  HA     5.12             (#peak    73 #SUP  0.88  #QF  0.88;)
 &rst
  ixpk= 73, nxpk= 0, iat=  -1, 362, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 349, 354,
 &end
#
#  23 TYR  QD     24 THR  HA     4.33             (#peak    77 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 77, nxpk= 0, iat=  -1, 362, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 347, 356,
 &end
#
#  17 THR  HA     24 THR  HA     3.68             (#peak    78 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 78, nxpk= 0, iat= 249, 362, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
#  15 VAL  H      41 TRP  HA     5.94             (#peak    80 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 80, nxpk= 0, iat= 215, 633, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,  &end
#
#  41 TRP  HA     41 TRP  HE3    4.19             (#peak    82 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 82, nxpk= 0, iat= 633, 650, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  41 TRP  HA     42 HIS  HD2    4.17             (#peak    83 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 83, nxpk= 0, iat= 633, 668, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  17 THR  HA     25 HIS  H      4.46             (#peak    84 #SUP  0.90  #QF  0.90;)
 &rst
  ixpk= 84, nxpk= 0, iat= 249, 374, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  49 PHE  QE     58 ILE  HA     5.22             (#peak    90 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 90, nxpk= 0, iat=  -1, 913, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 785, 789,
 &end
#
#  49 PHE  QD     58 ILE  HA     4.33             (#peak    92 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 92, nxpk= 0, iat=  -1, 913, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 783, 791,
 &end
#
#  40 HIS  HA     40 HIS  HD2    4.47             (#peak    97 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 97, nxpk= 0, iat= 616, 627, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#  39 PHE  QD     40 HIS  HA     5.67             (#peak    98 #SUP  1.00;)
 &rst
  ixpk= 98, nxpk= 0, iat=  -1, 616, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 602, 610,
 &end
#
#  39 PHE  HA     40 HIS  HA     5.34             (#peak    99 #SUP  1.00;)
 &rst
  ixpk= 99, nxpk= 0, iat= 596, 616, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
#  48 PHE  HA     49 PHE  H      3.36             (#peak   107 #SUP  1.00  #QF  0.62;)
 &rst
  ixpk= 107, nxpk= 0, iat= 757, 775, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
#  48 PHE  HA     48 PHE  QE     5.48             (#peak   114 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 114, nxpk= 0, iat= 757,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2= 765, 769,
 &end
#
#  48 PHE  HA     49 PHE  QD     4.44             (#peak   115 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 115, nxpk= 0, iat= 757,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2= 783, 791,
 &end
#
#  14 ARG  HA     41 TRP  HE3    5.30             (#peak   119 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 119, nxpk= 0, iat= 193, 650, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  26 PHE  QD     60 LEU  HA     6.16             (#peak   120 #SUP  0.91  #QF  0.88;)
 &rst
  ixpk= 120, nxpk= 0, iat=  -1, 943, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1= 399, 407,
 &end
#
#  47 ARG  HE     60 LEU  HA     6.16             (#peak   120 #SUP  0.91  #QF  0.88;)
 &rst
  ixpk= 120, nxpk= 0, iat= 744, 943, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  42 HIS  HA     42 HIS  HD2    4.86             (#peak   121 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 121, nxpk= 0, iat= 657, 668, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#  49 PHE  QD     77 GLU  HA     4.47             (#peak   128 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 128, nxpk= 0, iat=  -1,1229, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1= 783, 791,
 &end
#
#  25 HIS  HA     27 LYS  H      5.30             (#peak   131 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 131, nxpk= 0, iat= 376, 411, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  25 HIS  HA     26 PHE  QD     5.22             (#peak   132 #SUP  0.92  #QF  0.92;)
 &rst
  ixpk= 132, nxpk= 0, iat= 376,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 399, 407,
 &end
#
#  25 HIS  HA     25 HIS  HD2    3.85             (#peak   133 #SUP  0.72  #QF  0.72;)
 &rst
  ixpk= 133, nxpk= 0, iat= 376, 387, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#  23 TYR  QD     25 HIS  HA     5.10             (#peak   134 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 134, nxpk= 0, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 347, 356,
 &end
#
#  15 VAL  HA     42 HIS  HD2    6.16             (#peak   143 #SUP  0.43  #QF  0.43;)
 &rst
  ixpk= 143, nxpk= 0, iat= 217, 668, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  27 LYS  HA     41 TRP  HZ2    5.25             (#peak   145 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 145, nxpk= 0, iat= 413, 644, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#  27 LYS  HA     41 TRP  HH2    4.72             (#peak   146 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 146, nxpk= 0, iat= 413, 646, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  15 VAL  HA     26 PHE  QD     5.61             (#peak   150 #SUP  0.89  #QF  0.89;)
 &rst
  ixpk= 150, nxpk= 0, iat= 217,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 399, 407,
 &end
#
#  18 CYZN  HA     39 PHE  QD     3.89             (#peak   154 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 154, nxpk= 0, iat= 263,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2= 602, 610,
 &end
#
#  51 CYZN  HA     53 CYZN  H      5.41             (#peak   157 #SUP  0.51  #QF  0.30;)
 &rst
  ixpk= 157, nxpk= 0, iat= 819, 842, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
#  38 ASP  HA     39 PHE  QE     5.22             (#peak   160 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 160, nxpk= 0, iat= 584,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 604, 608,
 &end
#
#  51 CYZN  HA     75 LYS  H      6.16             (#peak   163 #SUP  0.87  #QF  0.63;)
 &rst
  ixpk= 163, nxpk= 0, iat= 819,1181, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  67 HIS  HA     74 PHE  QD     3.70             (#peak   165 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 165, nxpk= 0, iat=1075,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2=1169,1177,
 &end
#
#  51 CYZN  HA     77 GLU  H      5.35             (#peak   166 #SUP  0.87  #QF  0.87;)
 &rst
  ixpk= 166, nxpk= 0, iat= 819,1227, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#  51 CYZN  HA     76 TRP  HZ3    5.07             (#peak   168 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 168, nxpk= 0, iat= 819,1220, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  68 CYZN  HA     76 TRP  HZ2    3.34             (#peak   169 #SUP  0.91  #QF  0.91;)
 &rst
  ixpk= 169, nxpk= 0, iat=1092,1216, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#  16 VAL  HA     41 TRP  HE3    4.80             (#peak   186 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 186, nxpk= 0, iat= 233, 650, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  16 VAL  HA     39 PHE  QD     6.16             (#peak   187 #SUP  1.00  #QF  0.96;)
 &rst
  ixpk= 187, nxpk= 0, iat= 233,  -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr2= 602, 610,
 &end
#
#  28 PRO  HA     39 PHE  QD     6.16             (#peak   187 #SUP  1.00  #QF  0.96;)
 &rst
  ixpk= 187, nxpk= 0, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr2= 602, 610,
 &end
#
#  37 HIZ+  HA     39 PHE  QD     6.16             (#peak   187 #SUP  1.00  #QF  0.96;)
 &rst
  ixpk= 187, nxpk= 0, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr2= 602, 610,
 &end
#
#  37 HIZ+  HA     37 HIZ+  HD2    3.30             (#peak   188 #SUP  0.82  #QF  0.82;)
 &rst
  ixpk= 188, nxpk= 0, iat= 566, 575, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  16 VAL  HA     42 HIS  HD2    4.08             (#peak   189 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 189, nxpk= 0, iat= 233, 668, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  16 VAL  HA     41 TRP  HA     3.62             (#peak   190 #SUP  1.00;)
 &rst
  ixpk= 190, nxpk= 0, iat= 233, 633, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#  37 HIZ+  HA     39 PHE  QE     5.35             (#peak   197 #SUP  0.82  #QF  0.82;)
 &rst
  ixpk= 197, nxpk= 0, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr2= 604, 608,
 &end
#
#  74 PHE  QD     75 LYS  HA     5.26             (#peak   198 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 198, nxpk= 0, iat=  -1,1183, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1=1169,1177,
 &end
#
#  76 TRP  HA     76 TRP  HD1    5.14             (#peak   201 #SUP  0.39  #QF  0.39;)
 &rst
  ixpk= 201, nxpk= 0, iat=1205,1211, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#  26 PHE  HA     26 PHE  QD     3.36             (#peak   210 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 210, nxpk= 0, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 399, 407,
 &end
#
#  76 TRP  HA     76 TRP  HE3    3.60             (#peak   211 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 211, nxpk= 0, iat=1205,1222, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  76 TRP  HA     76 TRP  HZ3    5.34             (#peak   212 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 212, nxpk= 0, iat=1205,1220, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
#   9 ARG  HA     10 GLU  H      3.98             (#peak   215 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 215, nxpk= 0, iat= 115, 137, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#   9 ARG  HA     81 MET  H      4.88             (#peak   216 #SUP  0.85  #QF  0.85;)
 &rst
  ixpk= 216, nxpk= 0, iat= 115,1289, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  79 VAL  HA     80 GLY  H      3.92             (#peak   219 #SUP  0.91  #QF  0.64;)
 &rst
  ixpk= 219, nxpk= 0, iat=1268,1282, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#  65 LYS  HA     74 PHE  HZ     4.18             (#peak   224 #SUP  0.77  #QF  0.77;)
 &rst
  ixpk= 224, nxpk= 0, iat=1031,1173, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  46 LYS  HA     59 SER  H      5.86             (#peak   236 #SUP  0.98  #QF  0.54;)
 &rst
  ixpk= 236, nxpk= 0, iat= 711, 930, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,  &end
#
#  47 ARG  HA     59 SER  H      6.16             (#peak   236 #SUP  0.98  #QF  0.54;)
 &rst
  ixpk= 236, nxpk= 0, iat= 733, 930, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  26 PHE  QD     46 LYS  HA     6.16             (#peak   239 #SUP  1.00  #QF  0.83;)
 &rst
  ixpk= 239, nxpk= 0, iat=  -1, 711, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1= 399, 407,
 &end
#
#  46 LYS  HA     47 ARG  HE     6.16             (#peak   239 #SUP  1.00  #QF  0.83;)
 &rst
  ixpk= 239, nxpk= 0, iat= 711, 744, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  47 ARG  HA     47 ARG  HE     6.16             (#peak   239 #SUP  1.00  #QF  0.83;)
 &rst
  ixpk= 239, nxpk= 0, iat= 733, 744, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  47 ARG  HA     48 PHE  QE     6.03             (#peak   240 #SUP  0.54  #QF  0.37;)
 &rst
  ixpk= 240, nxpk= 0, iat= 733,  -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
 igr2= 765, 769,
 &end
#
#  26 PHE  QE     46 LYS  HA     5.19             (#peak   241 #SUP  0.91  #QF  0.91;)
 &rst
  ixpk= 241, nxpk= 0, iat=  -1, 711, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 401, 405,
 &end
#
#  70 THR  HB     76 TRP  HH2    6.14             (#peak   256 #SUP  0.30  #QF  0.30;)
 &rst
  ixpk= 256, nxpk= 0, iat=1115,1218, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,  &end
#
#  67 HIS  HD2    74 PHE  HA     5.10             (#peak   263 #SUP  0.70  #QF  0.70;)
 &rst
  ixpk= 263, nxpk= 0, iat=1086,1163, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  68 CYZN  H      74 PHE  HA     5.10             (#peak   266 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 266, nxpk= 0, iat=1090,1163, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  86 THR  HB     87 GLY  H      4.74             (#peak   268 #SUP  0.90  #QF  0.90;)
 &rst
  ixpk= 268, nxpk= 0, iat=1388,1398, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#  74 PHE  HA     74 PHE  QD     3.89             (#peak   270 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 270, nxpk= 0, iat=1163,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2=1169,1177,
 &end
#
#  74 PHE  HA     76 TRP  HD1    4.86             (#peak   272 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 272, nxpk= 0, iat=1163,1211, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#  49 PHE  QE     78 ARG  HA     4.74             (#peak   282 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 282, nxpk= 0, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 785, 789,
 &end
#
#  49 PHE  QD     78 ARG  HA     3.88             (#peak   284 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 284, nxpk= 0, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1= 783, 791,
 &end
#
#  29 LYS  HA     31 THR  H      4.84             (#peak   290 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 290, nxpk= 0, iat= 449, 484, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#  29 LYS  HA     32 CYZN  H      5.56             (#peak   293 #SUP  1.00;)
 &rst
  ixpk= 293, nxpk= 0, iat= 449, 498, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,  &end
#
#  49 PHE  HZ     63 LEU  HA     4.07             (#peak   297 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 297, nxpk= 0, iat= 787, 998, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  49 PHE  QE     63 LEU  HA     3.96             (#peak   298 #SUP  1.00  #QF  0.98;)
 &rst
  ixpk= 298, nxpk= 0, iat=  -1, 998, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 785, 789,
 &end
#
#  49 PHE  QD     63 LEU  HA     4.69             (#peak   299 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 299, nxpk= 0, iat=  -1, 998, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 783, 791,
 &end
#
#  30 GLU  H      31 THR  HA     5.86             (#peak   304 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 304, nxpk= 0, iat= 469, 486, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,  &end
#
#  31 THR  HA     33 VAL  H      5.28             (#peak   308 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 308, nxpk= 0, iat= 486, 508, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  20 THR  H      21 CYZN  HA     5.69             (#peak   316 #SUP  0.85  #QF  0.85;)
 &rst
  ixpk= 316, nxpk= 0, iat= 293, 309, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,  &end
#
#  21 CYZN  HA     23 TYR  QE     6.16             (#peak   318 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 318, nxpk= 0, iat= 309,  -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr2= 349, 354,
 &end
#
#  12 SER  QB     44 GLY  H      5.48             (#peak   324 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 324, nxpk= 0, iat=  -1, 686, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 173, 174,
 &end
#
#  33 VAL  HA     36 ASN  H      4.42             (#peak   330 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 330, nxpk= 0, iat= 510, 550, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#  48 PHE  QE     81 MET  HA     4.18             (#peak   333 #SUP  1.00;)
 &rst
  ixpk= 333, nxpk= 0, iat=  -1,1291, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 765, 769,
 &end
#
#  49 PHE  QE     62 ARG  HA     4.50             (#peak   343 #SUP  0.99  #QF  0.28;)
 &rst
  ixpk= 343, nxpk= 0, iat=  -1, 974, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 785, 789,
 &end
#
#  28 PRO  HD2    41 TRP  HZ2    4.29             (#peak   352 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 352, nxpk= 0, iat= 434, 644, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#  17 THR  HB     42 HIS  HD2    4.41             (#peak   357 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 357, nxpk= 0, iat= 251, 668, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#  52 PRO  HD3    53 CYZN  H      5.13             (#peak   360 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 360, nxpk= 0, iat= 830, 842, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#  19 LYS  H      20 THR  HB     5.30             (#peak   370 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 370, nxpk= 0, iat= 271, 297, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  20 THR  HB     21 CYZN  H      3.64             (#peak   371 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 371, nxpk= 0, iat= 297, 307, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#  20 THR  HB     37 HIZ+  HE1    5.56             (#peak   372 #SUP  0.36  #QF  0.36;)
 &rst
  ixpk= 372, nxpk= 0, iat= 297, 576, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,  &end
#
#  20 THR  HB     37 HIZ+  HD2    5.39             (#peak   376 #SUP  0.91  #QF  0.91;)
 &rst
  ixpk= 376, nxpk= 0, iat= 297, 575, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#  20 THR  H      37 HIZ+  HB3    5.10             (#peak   379 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 379, nxpk= 0, iat= 293, 569, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  37 HIZ+  HB3    39 PHE  QE     5.24             (#peak   381 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 381, nxpk= 0, iat= 569,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 604, 608,
 &end
#
#  37 HIZ+  HB3    39 PHE  QD     4.65             (#peak   382 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 382, nxpk= 0, iat= 569,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 602, 610,
 &end
#
#  28 PRO  HD3    41 TRP  HZ2    4.02             (#peak   391 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 391, nxpk= 0, iat= 435, 644, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#  49 PHE  HZ     59 SER  HB3    5.15             (#peak   392 #SUP  1.00;)
 &rst
  ixpk= 392, nxpk= 0, iat= 787, 935, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#  28 PRO  HD3    41 TRP  HZ3    5.48             (#peak   395 #SUP  0.88  #QF  0.88;)
 &rst
  ixpk= 395, nxpk= 0, iat= 435, 648, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
#  49 PHE  QD     59 SER  HB3    4.61             (#peak   396 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 396, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1= 783, 791,
 &end
#
#  25 HIS  HB3    26 PHE  H      3.95             (#peak   404 #SUP  0.97  #QF  0.84;)
 &rst
  ixpk= 404, nxpk= 0, iat= 379, 391, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  23 TYR  QD     25 HIS  HB3    5.36             (#peak   409 #SUP  0.89  #QF  0.89;)
 &rst
  ixpk= 409, nxpk= 0, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1= 347, 356,
 &end
#
#  62 ARG  QD     63 LEU  H      4.95             (#peak   426 #SUP  0.97  #QF  0.21;)
 &rst
  ixpk= 426, nxpk= 0, iat=  -1, 996, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 982, 983,
 &end
#
#  21 CYZN  HB3    23 TYR  QE     3.88             (#peak   427 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 427, nxpk= 0, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2= 349, 354,
 &end
#
#  21 CYZN  HB3    23 TYR  QD     3.53             (#peak   428 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 428, nxpk= 0, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 347, 356,
 &end
#
#  14 ARG  HD2    43 ASN  HA     6.16             (#peak   429 #SUP  0.68  #QF  0.68;)
 &rst
  ixpk= 429, nxpk= 0, iat= 201, 674, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  40 HIS  HB2    40 HIS  HD2    4.36             (#peak   434 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 434, nxpk= 0, iat= 618, 627, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#  40 HIS  HB2    42 HIS  HD2    5.98             (#peak   435 #SUP  0.68  #QF  0.44;)
 &rst
  ixpk= 435, nxpk= 0, iat= 618, 668, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,  &end
#
#  41 TRP  QB     42 HIS  HD2    6.16             (#peak   435 #SUP  0.68  #QF  0.44;)
 &rst
  ixpk= 435, nxpk= 0, iat=  -1, 668, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1= 635, 636,
 &end
#
#   9 ARG  H       9 ARG  QD     5.39             (#peak   441 #SUP  1.00;)
 &rst
  ixpk= 441, nxpk= 0, iat= 113,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2= 123, 124,
 &end
#
#  41 TRP  QB     41 TRP  HE3    4.19             (#peak   442 #SUP  0.89  #QF  0.24;)
 &rst
  ixpk= 442, nxpk= 0, iat=  -1, 650, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 635, 636,
 &end
#
#  71 CYZN  HB2    72 GLY  H      4.19             (#peak   450 #SUP  0.38  #QF  0.38;)
 &rst
  ixpk= 450, nxpk= 0, iat=1130,1135, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  40 HIS  HB3    41 TRP  H      4.69             (#peak   456 #SUP  0.91  #QF  0.91;)
 &rst
  ixpk= 456, nxpk= 0, iat= 619, 631, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#  40 HIS  HB3    42 HIS  HD2    5.50             (#peak   459 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 459, nxpk= 0, iat= 619, 668, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  26 PHE  QD     27 LYS  QE     5.19             (#peak   462 #SUP  0.46  #QF  0.46;)
 &rst
  ixpk= 462, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 399, 407,
 igr2= 424, 425,
 &end
#
#  67 HIS  HB3    68 CYZN  H      4.47             (#peak   465 #SUP  0.86  #QF  0.86;)
 &rst
  ixpk= 465, nxpk= 0, iat=1078,1090, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#  32 CYZN  HB3    39 PHE  QE     4.56             (#peak   469 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 469, nxpk= 0, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 604, 608,
 &end
#
#  32 CYZN  HB3    39 PHE  HZ     4.44             (#peak   471 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 471, nxpk= 0, iat= 502, 606, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  67 HIS  HB3    74 PHE  QD     5.25             (#peak   472 #SUP  0.99  #QF  0.98;)
 &rst
  ixpk= 472, nxpk= 0, iat=1078,  -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr2=1169,1177,
 &end
#
#  32 CYZN  HB3    39 PHE  QD     5.13             (#peak   474 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 474, nxpk= 0, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 602, 610,
 &end
#
#  55 ASN  HB3    76 TRP  HZ3    4.66             (#peak   475 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 475, nxpk= 0, iat= 864,1220, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#  55 ASN  HB3    76 TRP  HH2    4.86             (#peak   476 #SUP  0.94  #QF  0.69;)
 &rst
  ixpk= 476, nxpk= 0, iat= 864,1218, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#  83 LYS  QE     84 GLU  H      5.21             (#peak   479 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 479, nxpk= 0, iat=  -1,1347, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1=1338,1339,
 &end
#
#  22 LYS  H      22 LYS  QE     5.91             (#peak   480 #SUP  0.81  #QF  0.81;)
 &rst
  ixpk= 480, nxpk= 0, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr2= 330, 331,
 &end
#
#  29 LYS  H      32 CYZN  HB2    5.47             (#peak   481 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 481, nxpk= 0, iat= 447, 503, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#  32 CYZN  HB2    39 PHE  QE     4.22             (#peak   482 #SUP  0.92  #QF  0.92;)
 &rst
  ixpk= 482, nxpk= 0, iat= 503,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 604, 608,
 &end
#
#  32 CYZN  HB2    39 PHE  HZ     5.28             (#peak   483 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 483, nxpk= 0, iat= 503, 606, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  32 CYZN  HB2    39 PHE  QD     5.45             (#peak   485 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 485, nxpk= 0, iat= 503,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2= 602, 610,
 &end
#
#  13 CYS  H      13 CYS  HB3    4.46             (#peak   491 #SUP  0.97  #QF  0.84;)
 &rst
  ixpk= 491, nxpk= 0, iat= 180, 185, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  49 PHE  HB3    76 TRP  HE3    3.89             (#peak   492 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 492, nxpk= 0, iat= 780,1222, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  50 LYS  QE     55 ASN  H      6.16             (#peak   495 #SUP  0.98  #QF  0.71;)
 &rst
  ixpk= 495, nxpk= 0, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1= 808, 809,
 &end
#
#  68 CYZN  HB3    73 LEU  H      3.70             (#peak   497 #SUP  0.66  #QF  0.66;)
 &rst
  ixpk= 497, nxpk= 0, iat=1094,1142, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  67 HIS  HB2    68 CYZN  H      4.31             (#peak   501 #SUP  1.00  #QF  0.91;)
 &rst
  ixpk= 501, nxpk= 0, iat=1077,1090, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#  33 VAL  H      37 HIZ+  HB2    5.97             (#peak   504 #SUP  0.92  #QF  0.55;)
 &rst
  ixpk= 504, nxpk= 0, iat= 508, 568, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,  &end
#
#  67 HIS  HB2    74 PHE  QD     6.16             (#peak   504 #SUP  0.92  #QF  0.55;)
 &rst
  ixpk= 504, nxpk= 0, iat=1077,  -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr2=1169,1177,
 &end
#
#  25 HIS  HB2    26 PHE  H      4.45             (#peak   509 #SUP  1.00  #QF  0.88;)
 &rst
  ixpk= 509, nxpk= 0, iat= 378, 391, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#  37 HIZ+  HB2    39 PHE  QE     4.85             (#peak   511 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 511, nxpk= 0, iat= 568,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2= 604, 608,
 &end
#
#  37 HIZ+  HB2    39 PHE  QD     4.36             (#peak   513 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 513, nxpk= 0, iat= 568,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2= 602, 610,
 &end
#
#  23 TYR  QD     25 HIS  HB2    4.01             (#peak   515 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 515, nxpk= 0, iat=  -1, 378, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 347, 356,
 &end
#
#  49 PHE  QD     76 TRP  HB3    3.58             (#peak   525 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 525, nxpk= 0, iat=  -1,1208, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr1= 783, 791,
 &end
#
#  76 TRP  HB3    76 TRP  HD1    4.23             (#peak   526 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 526, nxpk= 0, iat=1208,1211, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#  23 TYR  HB3    25 HIS  HD2    5.88             (#peak   531 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 531, nxpk= 0, iat= 344, 387, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,  &end
#
#  26 PHE  QE     46 LYS  HE2    5.48             (#peak   532 #SUP  0.99  #QF  0.92;)
 &rst
  ixpk= 532, nxpk= 0, iat=  -1, 722, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 401, 405,
 &end
#
#  19 LYS  H      19 LYS  QE     6.01             (#peak   539 #SUP  0.74  #QF  0.51;)
 &rst
  ixpk= 539, nxpk= 0, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr2= 284, 285,
 &end
#
#  26 PHE  H      26 PHE  HB3    4.57             (#peak   542 #SUP  1.00  #QF  0.60;)
 &rst
  ixpk= 542, nxpk= 0, iat= 391, 396, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  39 PHE  HB2    41 TRP  HD1    5.30             (#peak   544 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 544, nxpk= 0, iat= 598, 639, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  36 ASN  HB2    37 HIZ+  H      4.98             (#peak   555 #SUP  0.89  #QF  0.89;)
 &rst
  ixpk= 555, nxpk= 0, iat= 554, 564, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#  51 CYZN  HB3    76 TRP  HE3    6.06             (#peak   563 #SUP  0.98  #QF  0.73;)
 &rst
  ixpk= 563, nxpk= 0, iat= 822,1222, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,  &end
#
#  51 CYZN  HB3    76 TRP  HH2    6.16             (#peak   563 #SUP  0.98  #QF  0.73;)
 &rst
  ixpk= 563, nxpk= 0, iat= 822,1218, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  23 TYR  HB2    25 HIS  HD2    5.31             (#peak   564 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 564, nxpk= 0, iat= 343, 387, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
#  21 CYZN  HB2    23 TYR  QE     3.81             (#peak   567 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 567, nxpk= 0, iat= 312,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2= 349, 354,
 &end
#
#  21 CYZN  HB2    23 TYR  QD     3.36             (#peak   568 #SUP  1.00  #QF  0.96;)
 &rst
  ixpk= 568, nxpk= 0, iat= 312,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 347, 356,
 &end
#
#  26 PHE  QD     46 LYS  HE3    5.40             (#peak   580 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 580, nxpk= 0, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 399, 407,
 &end
#
#  26 PHE  QE     46 LYS  HE3    5.48             (#peak   581 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 581, nxpk= 0, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 401, 405,
 &end
#
#  32 CYZN  HA     37 HIZ+  HE1    5.29             (#peak   584 #SUP  1.00  #QF  0.99;)
 &rst
  ixpk= 584, nxpk= 0, iat= 500, 576, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#  32 CYZN  HA     35 GLU  H      4.20             (#peak   586 #SUP  0.44  #QF  0.44;)
 &rst
  ixpk= 586, nxpk= 0, iat= 500, 535, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  32 CYZN  HA     39 PHE  QE     5.10             (#peak   588 #SUP  0.91  #QF  0.91;)
 &rst
  ixpk= 588, nxpk= 0, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2= 604, 608,
 &end
#
#  32 CYZN  HA     39 PHE  HZ     5.82             (#peak   589 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 589, nxpk= 0, iat= 500, 606, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,  &end
#
#  32 CYZN  HA     39 PHE  QD     6.15             (#peak   591 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 591, nxpk= 0, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
 igr2= 602, 610,
 &end
#
#  32 CYZN  HA     37 HIZ+  HD2    5.22             (#peak   592 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 592, nxpk= 0, iat= 500, 575, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
#  23 TYR  QE     29 LYS  HE2    6.16             (#peak   594 #SUP  0.86  #QF  0.52;)
 &rst
  ixpk= 594, nxpk= 0, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1= 349, 354,
 &end
#
#  23 TYR  QE     29 LYS  HE3    6.16             (#peak   594 #SUP  0.86  #QF  0.52;)
 &rst
  ixpk= 594, nxpk= 0, iat=  -1, 461, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1= 349, 354,
 &end
#
#   5 MET  H       5 MET  HG2    5.32             (#peak   596 #SUP  0.70  #QF  0.70;)
 &rst
  ixpk= 596, nxpk= 0, iat=  49,  56, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
#  76 TRP  HB2    76 TRP  HD1    3.86             (#peak   600 #SUP  1.00;)
 &rst
  ixpk= 600, nxpk= 0, iat=1207,1211, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  53 CYZN  H      71 CYZN  HB3    6.16             (#peak   602 #SUP  0.98  #QF  0.81;)
 &rst
  ixpk= 602, nxpk= 0, iat= 842,1129, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  71 CYZN  HB3    73 LEU  H      6.16             (#peak   602 #SUP  0.98  #QF  0.81;)
 &rst
  ixpk= 602, nxpk= 0, iat=1129,1142, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  61 ASP  HB3    63 LEU  H      4.31             (#peak   608 #SUP  0.85  #QF  0.85;)
 &rst
  ixpk= 608, nxpk= 0, iat= 965, 996, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#  20 THR  H      38 ASP  HB3    5.87             (#peak   610 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 610, nxpk= 0, iat= 293, 587, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,  &end
#
#  52 PRO  HB2    53 CYZN  H      5.10             (#peak   630 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 630, nxpk= 0, iat= 835, 842, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  35 GLU  HB3    37 HIZ+  HE1    6.16             (#peak   632 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 632, nxpk= 0, iat= 540, 576, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  35 GLU  HB3    37 HIZ+  HD2    3.57             (#peak   635 #SUP  0.95  #QF  0.53;)
 &rst
  ixpk= 635, nxpk= 0, iat= 540, 575, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
#  18 CYZN  HB2    39 PHE  QD     4.67             (#peak   641 #SUP  1.00;)
 &rst
  ixpk= 641, nxpk= 0, iat= 266,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 602, 610,
 &end
#
#  18 CYZN  HB2    23 TYR  QE     4.46             (#peak   642 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 642, nxpk= 0, iat= 266,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 349, 354,
 &end
#
#  18 CYZN  HB2    23 TYR  QD     4.89             (#peak   643 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 643, nxpk= 0, iat= 266,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2= 347, 356,
 &end
#
#  51 CYZN  HB2    76 TRP  HE3    5.51             (#peak   648 #SUP  1.00  #QF  0.99;)
 &rst
  ixpk= 648, nxpk= 0, iat= 821,1222, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,  &end
#
#  51 CYZN  HB2    76 TRP  HH2    5.84             (#peak   648 #SUP  1.00  #QF  0.99;)
 &rst
  ixpk= 648, nxpk= 0, iat= 821,1218, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,  &end
#
#  51 CYZN  HB2    54 GLY  H      5.32             (#peak   649 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 649, nxpk= 0, iat= 821, 852, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
#  33 VAL  HB     39 PHE  QE     6.16             (#peak   657 #SUP  0.91  #QF  0.91;)
 &rst
  ixpk= 657, nxpk= 0, iat= 512,  -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr2= 604, 608,
 &end
#
#  33 VAL  HB     34 SER  H      3.46             (#peak   660 #SUP  1.00;)
 &rst
  ixpk= 660, nxpk= 0, iat= 512, 524, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#  64 PRO  HD2    76 TRP  HE1    5.81             (#peak   666 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 666, nxpk= 0, iat=1016,1213, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,  &end
#
#  64 PRO  HD2    74 PHE  HZ     5.26             (#peak   667 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 667, nxpk= 0, iat=1016,1173, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
#  64 PRO  HD2    76 TRP  HD1    4.36             (#peak   669 #SUP  1.00;)
 &rst
  ixpk= 669, nxpk= 0, iat=1016,1211, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#  81 MET  QG     83 LYS  H      6.16             (#peak   670 #SUP  1.00  #QF  0.94;)
 &rst
  ixpk= 670, nxpk= 0, iat=  -1,1325, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1=1296,1297,
 &end
#
#  83 LYS  H      84 GLU  QG     6.16             (#peak   670 #SUP  1.00  #QF  0.94;)
 &rst
  ixpk= 670, nxpk= 0, iat=1325,  -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr2=1354,1355,
 &end
#
#  49 PHE  HZ     64 PRO  HD2    5.76             (#peak   673 #SUP  0.78  #QF  0.49;)
 &rst
  ixpk= 673, nxpk= 0, iat= 787,1016, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,  &end
#
#  64 PRO  HD2    74 PHE  QE     6.05             (#peak   673 #SUP  0.78  #QF  0.49;)
 &rst
  ixpk= 673, nxpk= 0, iat=1016,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=1171,1175,
 &end
#
#  49 PHE  HB2    76 TRP  HE3    4.02             (#peak   674 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 674, nxpk= 0, iat= 779,1222, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#  49 PHE  HB2    57 THR  H      5.21             (#peak   676 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 676, nxpk= 0, iat= 779, 897, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#  11 GLN  QB     48 PHE  HZ     5.79             (#peak   677 #SUP  0.83  #QF  0.31;)
 &rst
  ixpk= 677, nxpk= 0, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 156, 157,
 &end
#
#  56 ARG  H      56 ARG  HB3    4.49             (#peak   689 #SUP  1.00;)
 &rst
  ixpk= 689, nxpk= 0, iat= 873, 878, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  50 LYS  H      77 GLU  HB2    5.48             (#peak   695 #SUP  1.00;)
 &rst
  ixpk= 695, nxpk= 0, iat= 795,1231, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
#  29 LYS  HB3    32 CYZN  H      4.36             (#peak   705 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 705, nxpk= 0, iat= 452, 498, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#  18 CYZN  HB3    39 PHE  QD     5.25             (#peak   708 #SUP  0.91  #QF  0.91;)
 &rst
  ixpk= 708, nxpk= 0, iat= 265,  -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr2= 602, 610,
 &end
#
#  10 GLU  HB2    46 LYS  H      4.65             (#peak   711 #SUP  0.90  #QF  0.90;)
 &rst
  ixpk= 711, nxpk= 0, iat= 141, 709, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#  18 CYZN  HB3    20 THR  H      5.39             (#peak   714 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 714, nxpk= 0, iat= 265, 293, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#  18 CYZN  HB3    39 PHE  QE     6.16             (#peak   715 #SUP  0.83  #QF  0.83;)
 &rst
  ixpk= 715, nxpk= 0, iat= 265,  -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr2= 604, 608,
 &end
#
#  10 GLU  HB2    48 PHE  QE     5.45             (#peak   717 #SUP  0.66  #QF  0.66;)
 &rst
  ixpk= 717, nxpk= 0, iat= 141,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2= 765, 769,
 &end
#
#  18 CYZN  HB3    23 TYR  QE     4.41             (#peak   719 #SUP  0.89  #QF  0.89;)
 &rst
  ixpk= 719, nxpk= 0, iat= 265,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 349, 354,
 &end
#
#  18 CYZN  HB3    23 TYR  QD     4.58             (#peak   720 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 720, nxpk= 0, iat= 265,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 347, 356,
 &end
#
#  84 GLU  H      84 GLU  HB2    4.26             (#peak   722 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 722, nxpk= 0, iat=1347,1351, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  48 PHE  QD     81 MET  QE     6.16             (#peak   728 #SUP  0.60  #QF  0.22;)
 &rst
  ixpk= 728, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
 igr1= 763, 771,
 igr2=1300,1301,1302,
 &end
#
#  48 PHE  QE     81 MET  QE     5.40             (#peak   729 #SUP  0.82  #QF  0.74;)
 &rst
  ixpk= 729, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 765, 769,
 igr2=1300,1301,1302,
 &end
#
#  48 PHE  HZ     81 MET  QE     5.99             (#peak   729 #SUP  0.82  #QF  0.74;)
 &rst
  ixpk= 729, nxpk= 0, iat= 767,  -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr2=1300,1301,1302,
 &end
#
#  65 LYS  QB     66 LYS  H      4.56             (#peak   732 #SUP  1.00;)
 &rst
  ixpk= 732, nxpk= 0, iat=  -1,1051, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1=1033,1034,
 &end
#
#  75 LYS  HB2    76 TRP  H      4.87             (#peak   734 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 734, nxpk= 0, iat=1185,1203, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#  27 LYS  QB     41 TRP  HH2    5.12             (#peak   740 #SUP  0.92  #QF  0.92;)
 &rst
  ixpk= 740, nxpk= 0, iat=  -1, 646, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 415, 416,
 &end
#
#  66 LYS  HB3    67 HIS  H      5.11             (#peak   742 #SUP  0.64  #QF  0.64;)
 &rst
  ixpk= 742, nxpk= 0, iat=1056,1073, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
#  10 GLU  HB3    47 ARG  HE     6.16             (#peak   746 #SUP  0.93  #QF  0.79;)
 &rst
  ixpk= 746, nxpk= 0, iat= 142, 744, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  26 PHE  QD     27 LYS  QB     6.16             (#peak   746 #SUP  0.93  #QF  0.79;)
 &rst
  ixpk= 746, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
 igr1= 399, 407,
 igr2= 415, 416,
 &end
#
#  85 LYS  QB     86 THR  H      4.59             (#peak   748 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 748, nxpk= 0, iat=  -1,1384, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1=1366,1367,
 &end
#
#  14 ARG  HB2    14 ARG  HE     5.72             (#peak   758 #SUP  0.97  #QF  0.46;)
 &rst
  ixpk= 758, nxpk= 0, iat= 195, 204, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#  56 ARG  HB2    57 THR  H      4.58             (#peak   761 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 761, nxpk= 0, iat= 877, 897, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  56 ARG  H      56 ARG  HB2    4.01             (#peak   762 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 762, nxpk= 0, iat= 873, 877, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  62 ARG  QB     63 LEU  H      4.40             (#peak   763 #SUP  0.79  #QF  0.79;)
 &rst
  ixpk= 763, nxpk= 0, iat=  -1, 996, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 976, 977,
 &end
#
#  49 PHE  QD     78 ARG  HB3    5.61             (#peak   764 #SUP  0.92  #QF  0.92;)
 &rst
  ixpk= 764, nxpk= 0, iat=  -1,1247, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 783, 791,
 &end
#
#  28 PRO  HG2    39 PHE  QE     5.80             (#peak   767 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 767, nxpk= 0, iat= 437,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2= 604, 608,
 &end
#
#  28 PRO  HG2    41 TRP  HZ2    4.49             (#peak   768 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 768, nxpk= 0, iat= 437, 644, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  27 LYS  H      27 LYS  QD     4.41             (#peak   773 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 773, nxpk= 0, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 421, 422,
 &end
#
#  14 ARG  QG     41 TRP  HE3    3.73             (#peak   774 #SUP  0.91  #QF  0.91;)
 &rst
  ixpk= 774, nxpk= 0, iat=  -1, 650, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 198, 199,
 &end
#
#  27 LYS  QD     41 TRP  HH2    6.10             (#peak   775 #SUP  0.95  #QF  0.33;)
 &rst
  ixpk= 775, nxpk= 0, iat=  -1, 646, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1= 421, 422,
 &end
#
#  28 PRO  HG2    41 TRP  HH2    5.96             (#peak   775 #SUP  0.95  #QF  0.33;)
 &rst
  ixpk= 775, nxpk= 0, iat= 437, 646, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,  &end
#
#  14 ARG  QG     14 ARG  HE     4.66             (#peak   776 #SUP  0.87  #QF  0.55;)
 &rst
  ixpk= 776, nxpk= 0, iat=  -1, 204, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 198, 199,
 &end
#
#  14 ARG  QG     43 ASN  HD22   5.84             (#peak   776 #SUP  0.87  #QF  0.55;)
 &rst
  ixpk= 776, nxpk= 0, iat=  -1, 682, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1= 198, 199,
 &end
#
#  83 LYS  H      83 LYS  QD     3.98             (#peak   779 #SUP  0.39  #QF  0.22;)
 &rst
  ixpk= 779, nxpk= 0, iat=1325,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2=1335,1336,
 &end
#
#   9 ARG  H       9 ARG  HB3    4.23             (#peak   785 #SUP  0.94  #QF  0.73;)
 &rst
  ixpk= 785, nxpk= 0, iat= 113, 118, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#  50 LYS  QB     79 VAL  H      5.51             (#peak   787 #SUP  1.00;)
 &rst
  ixpk= 787, nxpk= 0, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr1= 799, 800,
 &end
#
#  50 LYS  QB     76 TRP  HZ3    5.52             (#peak   789 #SUP  1.00;)
 &rst
  ixpk= 789, nxpk= 0, iat=  -1,1220, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 799, 800,
 &end
#
#  66 LYS  QD     76 TRP  HE1    4.66             (#peak   790 #SUP  0.79  #QF  0.79;)
 &rst
  ixpk= 790, nxpk= 0, iat=  -1,1213, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1=1061,1062,
 &end
#
#  50 LYS  QB     51 CYZN  H      4.24             (#peak   791 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 791, nxpk= 0, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 799, 800,
 &end
#
#  47 ARG  HB2    49 PHE  HZ     4.35             (#peak   794 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 794, nxpk= 0, iat= 735, 787, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#  66 LYS  QD     76 TRP  HZ2    4.98             (#peak   795 #SUP  0.81  #QF  0.81;)
 &rst
  ixpk= 795, nxpk= 0, iat=  -1,1216, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=1061,1062,
 &end
#
#  47 ARG  HB2    49 PHE  QE     3.80             (#peak   796 #SUP  0.99  #QF  0.97;)
 &rst
  ixpk= 796, nxpk= 0, iat= 735,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 785, 789,
 &end
#
#  48 PHE  QE     81 MET  HB2    6.16             (#peak   797 #SUP  0.88  #QF  0.88;)
 &rst
  ixpk= 797, nxpk= 0, iat=  -1,1293, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1= 765, 769,
 &end
#
#  47 ARG  HB2    49 PHE  QD     4.80             (#peak   798 #SUP  0.91  #QF  0.28;)
 &rst
  ixpk= 798, nxpk= 0, iat= 735,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 783, 791,
 &end
#
#  49 PHE  QD     78 ARG  HB2    5.00             (#peak   798 #SUP  0.91  #QF  0.28;)
 &rst
  ixpk= 798, nxpk= 0, iat=  -1,1246, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 783, 791,
 &end
#
#  22 LYS  HB3    23 TYR  H      4.96             (#peak   805 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 805, nxpk= 0, iat= 322, 339, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  46 LYS  H      46 LYS  HB2    4.26             (#peak   813 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 813, nxpk= 0, iat= 709, 713, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  46 LYS  HB2    60 LEU  H      5.71             (#peak   814 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 814, nxpk= 0, iat= 713, 941, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,  &end
#
#  26 PHE  QD     46 LYS  HB2    4.77             (#peak   816 #SUP  1.00;)
 &rst
  ixpk= 816, nxpk= 0, iat=  -1, 713, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 399, 407,
 &end
#
#   9 ARG  HG2    81 MET  H      5.71             (#peak   818 #SUP  0.79  #QF  0.46;)
 &rst
  ixpk= 818, nxpk= 0, iat= 120,1289, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,  &end
#
#  82 LEU  H      82 LEU  HG     5.99             (#peak   818 #SUP  0.79  #QF  0.46;)
 &rst
  ixpk= 818, nxpk= 0, iat=1306,1313, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,  &end
#
#   9 ARG  HG2    10 GLU  H      5.23             (#peak   819 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 819, nxpk= 0, iat= 120, 137, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
#  35 GLU  HB2    37 HIZ+  HD2    3.86             (#peak   823 #SUP  0.89  #QF  0.89;)
 &rst
  ixpk= 823, nxpk= 0, iat= 539, 575, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  23 TYR  QE     29 LYS  QD     5.35             (#peak   824 #SUP  0.75  #QF  0.75;)
 &rst
  ixpk= 824, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 349, 354,
 igr2= 457, 458,
 &end
#
#  46 LYS  HB2    47 ARG  H      4.80             (#peak   825 #SUP  0.39  #QF  0.39;)
 &rst
  ixpk= 825, nxpk= 0, iat= 713, 731, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  46 LYS  QD     48 PHE  HZ     4.31             (#peak   826 #SUP  0.61  #QF  0.61;)
 &rst
  ixpk= 826, nxpk= 0, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 719, 720,
 &end
#
#  19 LYS  QD     40 HIS  HD2    5.89             (#peak   828 #SUP  0.75  #QF  0.22;)
 &rst
  ixpk= 828, nxpk= 0, iat=  -1, 627, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 281, 282,
 &end
#
#  63 LEU  HG     74 PHE  QE     4.27             (#peak   831 #SUP  0.49  #QF  0.49;)
 &rst
  ixpk= 831, nxpk= 0, iat=1003,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2=1171,1175,
 &end
#
#  63 LEU  HG     74 PHE  HZ     4.89             (#peak   833 #SUP  0.91  #QF  0.91;)
 &rst
  ixpk= 833, nxpk= 0, iat=1003,1173, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
#  63 LEU  HG     76 TRP  HD1    5.73             (#peak   835 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 835, nxpk= 0, iat=1003,1211, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,  &end
#
#  22 LYS  QD     23 TYR  QD     6.16             (#peak   836 #SUP  0.45  #QF  0.45;)
 &rst
  ixpk= 836, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
 igr1= 327, 328,
 igr2= 347, 356,
 &end
#
#  50 LYS  HG3    54 GLY  H      5.26             (#peak   838 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 838, nxpk= 0, iat= 803, 852, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
#  48 PHE  QD     81 MET  HB3    6.04             (#peak   842 #SUP  0.83  #QF  0.76;)
 &rst
  ixpk= 842, nxpk= 0, iat=  -1,1294, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
 igr1= 763, 771,
 &end
#
#   9 ARG  HG3    48 PHE  QE     6.16             (#peak   843 #SUP  0.95  #QF  0.36;)
 &rst
  ixpk= 843, nxpk= 0, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr2= 765, 769,
 &end
#
#  48 PHE  QE     81 MET  HB3    6.16             (#peak   843 #SUP  0.95  #QF  0.36;)
 &rst
  ixpk= 843, nxpk= 0, iat=  -1,1294, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1= 765, 769,
 &end
#
#  26 PHE  QE     58 ILE  HB     5.30             (#peak   844 #SUP  0.65  #QF  0.65;)
 &rst
  ixpk= 844, nxpk= 0, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1= 401, 405,
 &end
#
#   9 ARG  HG3    81 MET  H      4.74             (#peak   848 #SUP  0.94  #QF  0.50;)
 &rst
  ixpk= 848, nxpk= 0, iat= 121,1289, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#  45 VAL  H      46 LYS  HB3    6.16             (#peak   855 #SUP  0.70  #QF  0.70;)
 &rst
  ixpk= 855, nxpk= 0, iat= 693, 714, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#   9 ARG  HG3    10 GLU  H      4.91             (#peak   857 #SUP  0.73  #QF  0.73;)
 &rst
  ixpk= 857, nxpk= 0, iat= 121, 137, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  26 PHE  QD     46 LYS  HB3    4.37             (#peak   859 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 859, nxpk= 0, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 399, 407,
 &end
#
#  26 PHE  QE     46 LYS  HB3    5.33             (#peak   863 #SUP  0.92  #QF  0.92;)
 &rst
  ixpk= 863, nxpk= 0, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 401, 405,
 &end
#
#  82 LEU  QB     84 GLU  H      5.07             (#peak   864 #SUP  0.87  #QF  0.87;)
 &rst
  ixpk= 864, nxpk= 0, iat=  -1,1347, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1310,1311,
 &end
#
#  65 LYS  H      66 LYS  HG3    4.42             (#peak   865 #SUP  0.97  #QF  0.72;)
 &rst
  ixpk= 865, nxpk= 0, iat=1029,1059, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#  66 LYS  HG3    76 TRP  HZ2    6.04             (#peak   868 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 868, nxpk= 0, iat=1059,1216, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,  &end
#
#   9 ARG  HG3    48 PHE  QD     4.54             (#peak   869 #SUP  0.30  #QF  0.30;)
 &rst
  ixpk= 869, nxpk= 0, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 763, 771,
 &end
#
#  19 LYS  HG2    40 HIS  HD2    6.16             (#peak   876 #SUP  0.91  #QF  0.84;)
 &rst
  ixpk= 876, nxpk= 0, iat= 278, 627, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  26 PHE  QE     60 LEU  HB2    6.16             (#peak   876 #SUP  0.91  #QF  0.84;)
 &rst
  ixpk= 876, nxpk= 0, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1= 401, 405,
 &end
#
#  28 PRO  HB2    29 LYS  H      4.67             (#peak   878 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 878, nxpk= 0, iat= 440, 447, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  28 PRO  HG3    39 PHE  QE     5.49             (#peak   879 #SUP  0.99  #QF  0.96;)
 &rst
  ixpk= 879, nxpk= 0, iat= 438,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2= 604, 608,
 &end
#
#  23 TYR  QE     28 PRO  HB2    6.16             (#peak   880 #SUP  1.00  #QF  0.80;)
 &rst
  ixpk= 880, nxpk= 0, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1= 349, 354,
 &end
#
#  47 ARG  QG     49 PHE  QD     6.16             (#peak   880 #SUP  1.00  #QF  0.80;)
 &rst
  ixpk= 880, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
 igr1= 738, 739,
 igr2= 783, 791,
 &end
#
#  60 LEU  H      60 LEU  HB3    4.32             (#peak   881 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 881, nxpk= 0, iat= 941, 946, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#  28 PRO  HB2    39 PHE  HZ     5.03             (#peak   883 #SUP  0.97  #QF  0.69;)
 &rst
  ixpk= 883, nxpk= 0, iat= 440, 606, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#  47 ARG  HB3    59 SER  H      5.94             (#peak   886 #SUP  0.85  #QF  0.37;)
 &rst
  ixpk= 886, nxpk= 0, iat= 736, 930, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,  &end
#
#  28 PRO  HG3    41 TRP  HZ2    4.33             (#peak   891 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 891, nxpk= 0, iat= 438, 644, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#  47 ARG  QG     47 ARG  HE     4.54             (#peak   892 #SUP  0.92  #QF  0.43;)
 &rst
  ixpk= 892, nxpk= 0, iat=  -1, 744, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 738, 739,
 &end
#
#  47 ARG  QG     49 PHE  HZ     4.91             (#peak   892 #SUP  0.92  #QF  0.43;)
 &rst
  ixpk= 892, nxpk= 0, iat=  -1, 787, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 738, 739,
 &end
#
#  28 PRO  HG3    41 TRP  HH2    5.13             (#peak   893 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 893, nxpk= 0, iat= 438, 646, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#  26 PHE  QE     58 ILE  HG12   6.16             (#peak   895 #SUP  0.92  #QF  0.87;)
 &rst
  ixpk= 895, nxpk= 0, iat=  -1, 921, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1= 401, 405,
 &end
#
#  26 PHE  QE     60 LEU  HB3    6.16             (#peak   895 #SUP  0.92  #QF  0.87;)
 &rst
  ixpk= 895, nxpk= 0, iat=  -1, 946, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1= 401, 405,
 &end
#
#  28 PRO  HG3    39 PHE  QD     5.23             (#peak   896 #SUP  1.00;)
 &rst
  ixpk= 896, nxpk= 0, iat= 438,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2= 602, 610,
 &end
#
#  47 ARG  HB3    49 PHE  HZ     4.51             (#peak   900 #SUP  0.89  #QF  0.75;)
 &rst
  ixpk= 900, nxpk= 0, iat= 736, 787, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  63 LEU  QB     74 PHE  QE     5.08             (#peak   900 #SUP  0.89  #QF  0.75;)
 &rst
  ixpk= 900, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1=1000,1001,
 igr2=1171,1175,
 &end
#
#  19 LYS  HG3    20 THR  H      6.10             (#peak   901 #SUP  0.35  #QF  0.35;)
 &rst
  ixpk= 901, nxpk= 0, iat= 279, 293, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  63 LEU  QB     76 TRP  HD1    6.16             (#peak   904 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 904, nxpk= 0, iat=  -1,1211, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1=1000,1001,
 &end
#
#  19 LYS  HG3    40 HIS  HD2    6.04             (#peak   908 #SUP  0.60  #QF  0.60;)
 &rst
  ixpk= 908, nxpk= 0, iat= 279, 627, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,  &end
#
#  11 GLN  H      46 LYS  HG2    5.49             (#peak   921 #SUP  0.83  #QF  0.83;)
 &rst
  ixpk= 921, nxpk= 0, iat= 152, 716, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#  60 LEU  HG     61 ASP  H      6.16             (#peak   922 #SUP  0.97  #QF  0.95;)
 &rst
  ixpk= 922, nxpk= 0, iat= 948, 960, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  61 ASP  H      64 PRO  HD3    6.16             (#peak   922 #SUP  0.97  #QF  0.95;)
 &rst
  ixpk= 922, nxpk= 0, iat= 960,1017, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  46 LYS  HG2    47 ARG  H      4.97             (#peak   923 #SUP  0.90  #QF  0.90;)
 &rst
  ixpk= 923, nxpk= 0, iat= 716, 731, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  49 PHE  QE     64 PRO  HD3    4.35             (#peak   925 #SUP  1.00;)
 &rst
  ixpk= 925, nxpk= 0, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 785, 789,
 &end
#
#  26 PHE  QE     60 LEU  HG     5.13             (#peak   926 #SUP  0.95  #QF  0.49;)
 &rst
  ixpk= 926, nxpk= 0, iat=  -1, 948, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 401, 405,
 &end
#
#  49 PHE  QD     64 PRO  HD3    4.39             (#peak   927 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 927, nxpk= 0, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 783, 791,
 &end
#
#  28 PRO  HB3    29 LYS  H      4.72             (#peak   929 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 929, nxpk= 0, iat= 441, 447, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  28 PRO  HB3    39 PHE  QE     4.68             (#peak   930 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 930, nxpk= 0, iat= 441,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2= 604, 608,
 &end
#
#  28 PRO  HB3    39 PHE  HZ     5.05             (#peak   931 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 931, nxpk= 0, iat= 441, 606, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#  28 PRO  HB3    39 PHE  QD     5.28             (#peak   932 #SUP  1.00;)
 &rst
  ixpk= 932, nxpk= 0, iat= 441,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2= 602, 610,
 &end
#
#  30 GLU  H      31 THR  QG2    5.28             (#peak   933 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 933, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr2= 490, 491, 492,
 &end
#
#  31 THR  H      31 THR  QG2    3.88             (#peak   935 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 935, nxpk= 0, iat= 484,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 490, 491, 492,
 &end
#
#  22 LYS  QG     23 TYR  H      5.23             (#peak   938 #SUP  0.83  #QF  0.83;)
 &rst
  ixpk= 938, nxpk= 0, iat=  -1, 339, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 324, 325,
 &end
#
#  86 THR  H      86 THR  QG2    4.63             (#peak   942 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 942, nxpk= 0, iat=1384,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2=1390,1391,1392,
 &end
#
#  55 ASN  HD21   70 THR  QG2    5.49             (#peak   947 #SUP  0.88  #QF  0.88;)
 &rst
  ixpk= 947, nxpk= 0, iat= 868,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr2=1117,1118,1119,
 &end
#
#  75 LYS  HB3    76 TRP  H      5.08             (#peak   951 #SUP  1.00;)
 &rst
  ixpk= 951, nxpk= 0, iat=1186,1203, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
#  46 LYS  HG3    48 PHE  QD     5.58             (#peak   952 #SUP  0.87  #QF  0.78;)
 &rst
  ixpk= 952, nxpk= 0, iat= 717,  -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr2= 763, 771,
 &end
#
#  26 PHE  QD     46 LYS  HG3    5.60             (#peak   955 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 955, nxpk= 0, iat=  -1, 717, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 399, 407,
 &end
#
#  26 PHE  QE     46 LYS  HG3    4.97             (#peak   956 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 956, nxpk= 0, iat=  -1, 717, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 401, 405,
 &end
#
#  46 LYS  HG3    48 PHE  HZ     5.07             (#peak   960 #SUP  1.00;)
 &rst
  ixpk= 960, nxpk= 0, iat= 717, 767, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  46 LYS  HG3    48 PHE  QE     3.99             (#peak   961 #SUP  0.45  #QF  0.45;)
 &rst
  ixpk= 961, nxpk= 0, iat= 717,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2= 765, 769,
 &end
#
#  64 PRO  HB2    74 PHE  QE     4.68             (#peak   970 #SUP  0.97  #QF  0.94;)
 &rst
  ixpk= 970, nxpk= 0, iat=1022,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2=1171,1175,
 &end
#
#  64 PRO  HB2    74 PHE  QD     6.16             (#peak   972 #SUP  1.00  #QF  0.99;)
 &rst
  ixpk= 972, nxpk= 0, iat=1022,  -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr2=1169,1177,
 &end
#
#  63 LEU  QD2    76 TRP  HD1    4.93             (#peak   974 #SUP  1.00;)
 &rst
  ixpk= 974, nxpk= 0, iat=  -1,1211, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1=1009,1010,1011,
 &end
#
#  17 THR  H      24 THR  QG2    5.49             (#peak   976 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 976, nxpk= 0, iat= 247,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr2= 366, 367, 368,
 &end
#
#  24 THR  QG2    42 HIS  HD2    5.12             (#peak   978 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 978, nxpk= 0, iat=  -1, 668, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 366, 367, 368,
 &end
#
#  24 THR  H      24 THR  QG2    4.50             (#peak   981 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 981, nxpk= 0, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 366, 367, 368,
 &end
#
#  63 LEU  QD1    76 TRP  HD1    4.93             (#peak   983 #SUP  1.00;)
 &rst
  ixpk= 983, nxpk= 0, iat=  -1,1211, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1=1005,1006,1007,
 &end
#
#  33 VAL  QG1    34 SER  H      4.41             (#peak   984 #SUP  1.00;)
 &rst
  ixpk= 984, nxpk= 0, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 514, 515, 516,
 &end
#
#  63 LEU  QD1    74 PHE  HZ     5.39             (#peak   986 #SUP  0.92  #QF  0.92;)
 &rst
  ixpk= 986, nxpk= 0, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1=1005,1006,1007,
 &end
#
#  33 VAL  QG1    39 PHE  QE     4.52             (#peak   987 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 987, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1= 514, 515, 516,
 igr2= 604, 608,
 &end
#
#  33 VAL  QG1    39 PHE  HZ     3.82             (#peak   990 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 990, nxpk= 0, iat=  -1, 606, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 514, 515, 516,
 &end
#
#  33 VAL  H      33 VAL  QG1    4.31             (#peak   991 #SUP  1.00;)
 &rst
  ixpk= 991, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2= 514, 515, 516,
 &end
#
#  26 PHE  QE     58 ILE  HG13   6.16             (#peak   995 #SUP  0.38  #QF  0.38;)
 &rst
  ixpk= 995, nxpk= 0, iat=  -1, 922, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1= 401, 405,
 &end
#
#  17 THR  QG2    19 LYS  H      4.95             (#peak   996 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 996, nxpk= 0, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 253, 254, 255,
 &end
#
#  17 THR  QG2    25 HIS  H      6.16             (#peak   997 #SUP  0.88  #QF  0.88;)
 &rst
  ixpk= 997, nxpk= 0, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
 igr1= 253, 254, 255,
 &end
#
#  90 LEU  H      90 LEU  QQD    4.79             (#peak   999 #SUP  0.97  #QF  0.90;)
 &rst
  ixpk= 999, nxpk= 0, iat=1441,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr2=1450,1451,1452,1454,1455,1456,
 &end
#
#  17 THR  QG2    42 HIS  HD2    5.69             (#peak  1003 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1003, nxpk= 0, iat=  -1, 668, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr1= 253, 254, 255,
 &end
#
#  58 ILE  H      58 ILE  HG13   4.63             (#peak  1006 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1006, nxpk= 0, iat= 911, 922, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  48 PHE  QD     58 ILE  HG13   4.41             (#peak  1011 #SUP  0.77  #QF  0.77;)
 &rst
  ixpk= 1011, nxpk= 0, iat=  -1, 922, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 763, 771,
 &end
#
#  50 LYS  HA     79 VAL  QG1    5.30             (#peak  1013 #SUP  1.00;)
 &rst
  ixpk= 1013, nxpk= 0, iat= 797,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr2=1272,1273,1274,
 &end
#
#  48 PHE  QE     82 LEU  QQD    4.50             (#peak  1017 #SUP  0.23  #QF  0.23;)
 &rst
  ixpk= 1017, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 765, 769,
 igr2=1315,1316,1317,1319,1320,1321,
 &end
#
#   8 ILE  QD1     9 ARG  H      5.86             (#peak  1027 #SUP  0.98  #QF  0.22;)
 &rst
  ixpk= 1027, nxpk= 0, iat=  -1, 113, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
 igr1= 107, 108, 109,
 &end
#
#   7 SER  H       8 ILE  QD1    5.56             (#peak  1029 #SUP  0.82  #QF  0.82;)
 &rst
  ixpk= 1029, nxpk= 0, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
 igr2= 107, 108, 109,
 &end
#
#   8 ILE  QD1    10 GLU  H      5.86             (#peak  1031 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 1031, nxpk= 0, iat=  -1, 137, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
 igr1= 107, 108, 109,
 &end
#
#  48 PHE  QD     82 LEU  QQD    4.93             (#peak  1035 #SUP  0.39  #QF  0.39;)
 &rst
  ixpk= 1035, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
 igr1= 763, 771,
 igr2=1315,1316,1317,1319,1320,1321,
 &end
#
#  79 VAL  QG2    80 GLY  H      4.14             (#peak  1043 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1043, nxpk= 0, iat=  -1,1282, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1=1276,1277,1278,
 &end
#
#  48 PHE  H      79 VAL  QG2    5.42             (#peak  1045 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 1045, nxpk= 0, iat= 755,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2=1276,1277,1278,
 &end
#
#  48 PHE  QD     79 VAL  QG2    4.75             (#peak  1046 #SUP  0.77  #QF  0.77;)
 &rst
  ixpk= 1046, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 763, 771,
 igr2=1276,1277,1278,
 &end
#
#  50 LYS  HA     79 VAL  QG2    5.06             (#peak  1048 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 1048, nxpk= 0, iat= 797,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2=1276,1277,1278,
 &end
#
#  48 PHE  H      58 ILE  QG2    5.69             (#peak  1052 #SUP  0.93  #QF  0.86;)
 &rst
  ixpk= 1052, nxpk= 0, iat= 755,  -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr2= 917, 918, 919,
 &end
#
#  48 PHE  QE     58 ILE  QG2    4.18             (#peak  1055 #SUP  0.97  #QF  0.88;)
 &rst
  ixpk= 1055, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 765, 769,
 igr2= 917, 918, 919,
 &end
#
#  48 PHE  QE     58 ILE  QD1    4.41             (#peak  1055 #SUP  0.97  #QF  0.88;)
 &rst
  ixpk= 1055, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 765, 769,
 igr2= 924, 925, 926,
 &end
#
#  26 PHE  QE     58 ILE  QG2    4.11             (#peak  1060 #SUP  0.93  #QF  0.90;)
 &rst
  ixpk= 1060, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 401, 405,
 igr2= 917, 918, 919,
 &end
#
#  49 PHE  QD     58 ILE  QG2    5.24             (#peak  1061 #SUP  1.00;)
 &rst
  ixpk= 1061, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1= 783, 791,
 igr2= 917, 918, 919,
 &end
#
#  20 THR  QG2    37 HIZ+  HD2    4.33             (#peak  1065 #SUP  0.91  #QF  0.91;)
 &rst
  ixpk= 1065, nxpk= 0, iat=  -1, 575, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 299, 300, 301,
 &end
#
#  15 VAL  QG1    25 HIS  H      5.23             (#peak  1066 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 1066, nxpk= 0, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1= 221, 222, 223,
 &end
#
#  15 VAL  H      15 VAL  QG1    3.74             (#peak  1068 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 1068, nxpk= 0, iat= 215,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 221, 222, 223,
 &end
#
#  13 CYS  H      15 VAL  QG1    5.40             (#peak  1069 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1069, nxpk= 0, iat= 180,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 221, 222, 223,
 &end
#
#  15 VAL  QG1    45 VAL  H      4.65             (#peak  1070 #SUP  0.88  #QF  0.88;)
 &rst
  ixpk= 1070, nxpk= 0, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 221, 222, 223,
 &end
#
#  20 THR  QG2    37 HIZ+  HE1    4.63             (#peak  1071 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1071, nxpk= 0, iat=  -1, 576, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 299, 300, 301,
 &end
#
#  15 VAL  QG1    26 PHE  H      4.67             (#peak  1073 #SUP  0.86  #QF  0.86;)
 &rst
  ixpk= 1073, nxpk= 0, iat=  -1, 391, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 221, 222, 223,
 &end
#
#  15 VAL  QG1    41 TRP  HE3    6.16             (#peak  1074 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1074, nxpk= 0, iat=  -1, 650, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
 igr1= 221, 222, 223,
 &end
#
#  15 VAL  QG1    26 PHE  QD     3.40             (#peak  1075 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1075, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 221, 222, 223,
 igr2= 399, 407,
 &end
#
#  15 VAL  QG1    41 TRP  HZ3    5.81             (#peak  1076 #SUP  0.89  #QF  0.89;)
 &rst
  ixpk= 1076, nxpk= 0, iat=  -1, 648, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
 igr1= 221, 222, 223,
 &end
#
#  15 VAL  QG1    26 PHE  QE     5.23             (#peak  1077 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 1077, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr1= 221, 222, 223,
 igr2= 401, 405,
 &end
#
#  26 PHE  QD     60 LEU  QD1    4.33             (#peak  1084 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1084, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 399, 407,
 igr2= 950, 951, 952,
 &end
#
#  26 PHE  QE     60 LEU  QD1    4.85             (#peak  1085 #SUP  0.90  #QF  0.90;)
 &rst
  ixpk= 1085, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 401, 405,
 igr2= 950, 951, 952,
 &end
#
#  60 LEU  H      60 LEU  QD2    4.41             (#peak  1087 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1087, nxpk= 0, iat= 941,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 954, 955, 956,
 &end
#
#  49 PHE  QE     64 PRO  HG3    5.36             (#peak  1096 #SUP  0.91  #QF  0.91;)
 &rst
  ixpk= 1096, nxpk= 0, iat=  -1,1020, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1= 785, 789,
 &end
#
#  64 PRO  HG3    76 TRP  HD1    5.23             (#peak  1098 #SUP  1.00;)
 &rst
  ixpk= 1098, nxpk= 0, iat=1020,1211, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
#  16 VAL  QG1    39 PHE  QE     5.97             (#peak  1105 #SUP  0.91  #QF  0.91;)
 &rst
  ixpk= 1105, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
 igr1= 237, 238, 239,
 igr2= 604, 608,
 &end
#
#  16 VAL  QG1    41 TRP  HZ2    4.58             (#peak  1106 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 1106, nxpk= 0, iat=  -1, 644, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 237, 238, 239,
 &end
#
#  57 THR  QG2    74 PHE  QE     6.16             (#peak  1107 #SUP  0.47  #QF  0.47;)
 &rst
  ixpk= 1107, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
 igr1= 903, 904, 905,
 igr2=1171,1175,
 &end
#
#  16 VAL  QG1    39 PHE  QD     5.21             (#peak  1108 #SUP  1.00;)
 &rst
  ixpk= 1108, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
 igr1= 237, 238, 239,
 igr2= 602, 610,
 &end
#
#  16 VAL  QG1    23 TYR  QD     5.48             (#peak  1109 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1109, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
 igr1= 237, 238, 239,
 igr2= 347, 356,
 &end
#
#  57 THR  QG2    76 TRP  HE1    5.07             (#peak  1110 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 1110, nxpk= 0, iat=  -1,1213, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1= 903, 904, 905,
 &end
#
#  16 VAL  QG1    40 HIS  H      6.16             (#peak  1111 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1111, nxpk= 0, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
 igr1= 237, 238, 239,
 &end
#
#  57 THR  QG2    76 TRP  HE3    4.18             (#peak  1117 #SUP  1.00  #QF  0.99;)
 &rst
  ixpk= 1117, nxpk= 0, iat=  -1,1222, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1= 903, 904, 905,
 &end
#
#  57 THR  QG2    76 TRP  HZ3    4.12             (#peak  1119 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1119, nxpk= 0, iat=  -1,1220, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 903, 904, 905,
 &end
#
#  49 PHE  QD     57 THR  QG2    3.44             (#peak  1120 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1120, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 783, 791,
 igr2= 903, 904, 905,
 &end
#
#  16 VAL  QG1    17 THR  HA     4.73             (#peak  1123 #SUP  0.89  #QF  0.89;)
 &rst
  ixpk= 1123, nxpk= 0, iat=  -1, 249, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 237, 238, 239,
 &end
#
#  15 VAL  QG2    25 HIS  H      5.45             (#peak  1125 #SUP  0.74  #QF  0.74;)
 &rst
  ixpk= 1125, nxpk= 0, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 225, 226, 227,
 &end
#
#  15 VAL  QG2    45 VAL  H      4.87             (#peak  1128 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1128, nxpk= 0, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 225, 226, 227,
 &end
#
#  15 VAL  QG2    41 TRP  HE3    5.43             (#peak  1131 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 1131, nxpk= 0, iat=  -1, 650, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 225, 226, 227,
 &end
#
#  15 VAL  QG2    42 HIS  HD2    4.18             (#peak  1133 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1133, nxpk= 0, iat=  -1, 668, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1= 225, 226, 227,
 &end
#
#  15 VAL  QG2    43 ASN  HA     4.45             (#peak  1134 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 1134, nxpk= 0, iat=  -1, 674, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 225, 226, 227,
 &end
#
#  16 VAL  H      16 VAL  HB     4.48             (#peak  1135 #SUP  1.00;)
 &rst
  ixpk= 1135, nxpk= 0, iat= 231, 235, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#  16 VAL  HB     17 THR  H      4.73             (#peak  1136 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1136, nxpk= 0, iat= 235, 247, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#  16 VAL  HB     41 TRP  HE3    4.55             (#peak  1137 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 1137, nxpk= 0, iat= 235, 650, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#  16 VAL  HB     41 TRP  HZ2    5.04             (#peak  1138 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 1138, nxpk= 0, iat= 235, 644, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#  16 VAL  HB     41 TRP  HH2    5.15             (#peak  1139 #SUP  1.00;)
 &rst
  ixpk= 1139, nxpk= 0, iat= 235, 646, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#  16 VAL  HB     41 TRP  HZ3    4.73             (#peak  1140 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1140, nxpk= 0, iat= 235, 648, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#  16 VAL  HB     39 PHE  QD     5.61             (#peak  1141 #SUP  1.00;)
 &rst
  ixpk= 1141, nxpk= 0, iat= 235,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 602, 610,
 &end
#
#  16 VAL  QG2    41 TRP  HE1    4.35             (#peak  1145 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1145, nxpk= 0, iat=  -1, 641, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 241, 242, 243,
 &end
#
#  16 VAL  QG2    25 HIS  H      5.53             (#peak  1148 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 1148, nxpk= 0, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
 igr1= 241, 242, 243,
 &end
#
#  16 VAL  QG2    40 HIS  H      4.04             (#peak  1149 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 1149, nxpk= 0, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 241, 242, 243,
 &end
#
#  16 VAL  H      16 VAL  QG2    4.56             (#peak  1150 #SUP  1.00;)
 &rst
  ixpk= 1150, nxpk= 0, iat= 231,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2= 241, 242, 243,
 &end
#
#  16 VAL  QG2    17 THR  H      3.68             (#peak  1151 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1151, nxpk= 0, iat=  -1, 247, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 241, 242, 243,
 &end
#
#  16 VAL  QG2    39 PHE  H      5.29             (#peak  1153 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1153, nxpk= 0, iat=  -1, 594, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 241, 242, 243,
 &end
#
#  16 VAL  QG2    41 TRP  HD1    4.55             (#peak  1154 #SUP  0.97  #QF  0.94;)
 &rst
  ixpk= 1154, nxpk= 0, iat=  -1, 639, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 241, 242, 243,
 &end
#
#  64 PRO  HG2    74 PHE  HZ     4.87             (#peak  1154 #SUP  0.97  #QF  0.94;)
 &rst
  ixpk= 1154, nxpk= 0, iat=1019,1173, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#  16 VAL  QG2    39 PHE  QE     4.39             (#peak  1155 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 1155, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 241, 242, 243,
 igr2= 604, 608,
 &end
#
#  16 VAL  QG2    41 TRP  HZ2    4.45             (#peak  1156 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 1156, nxpk= 0, iat=  -1, 644, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 241, 242, 243,
 &end
#
#  16 VAL  QG2    41 TRP  HH2    5.80             (#peak  1157 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1157, nxpk= 0, iat=  -1, 646, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr1= 241, 242, 243,
 &end
#
#  64 PRO  HG2    76 TRP  HZ2    6.16             (#peak  1157 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1157, nxpk= 0, iat=1019,1216, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  16 VAL  QG2    39 PHE  QD     3.28             (#peak  1159 #SUP  1.00;)
 &rst
  ixpk= 1159, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 241, 242, 243,
 igr2= 602, 610,
 &end
#
#  16 VAL  QG2    42 HIS  HD2    5.29             (#peak  1160 #SUP  1.00;)
 &rst
  ixpk= 1160, nxpk= 0, iat=  -1, 668, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 241, 242, 243,
 &end
#
#  16 VAL  QG2    23 TYR  QE     5.00             (#peak  1161 #SUP  0.88  #QF  0.88;)
 &rst
  ixpk= 1161, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 241, 242, 243,
 igr2= 349, 354,
 &end
#
#  16 VAL  QG2    23 TYR  QD     6.16             (#peak  1162 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1162, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
 igr1= 241, 242, 243,
 igr2= 347, 356,
 &end
#
#  64 PRO  HG2    76 TRP  HD1    4.87             (#peak  1163 #SUP  1.00;)
 &rst
  ixpk= 1163, nxpk= 0, iat=1019,1211, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#  16 VAL  QG2    17 THR  HA     4.41             (#peak  1165 #SUP  1.00  #QF  0.88;)
 &rst
  ixpk= 1165, nxpk= 0, iat=  -1, 249, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 241, 242, 243,
 &end
#
#  39 PHE  QE     41 TRP  HE1    4.47             (#peak  1167 #SUP  0.88  #QF  0.88;)
 &rst
  ixpk= 1167, nxpk= 0, iat=  -1, 641, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1= 604, 608,
 &end
#
#  74 PHE  QD     76 TRP  HE1    3.99             (#peak  1175 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 1175, nxpk= 0, iat=  -1,1213, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=1169,1177,
 &end
#
#  50 LYS  H      76 TRP  HE3    4.44             (#peak  1181 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1181, nxpk= 0, iat= 795,1222, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  49 PHE  QD     50 LYS  H      4.46             (#peak  1182 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1182, nxpk= 0, iat=  -1, 795, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 783, 791,
 &end
#
#  42 HIS  H      42 HIS  HD2    4.07             (#peak  1193 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 1193, nxpk= 0, iat= 655, 668, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  19 LYS  H      39 PHE  QD     4.83             (#peak  1198 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1198, nxpk= 0, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 602, 610,
 &end
#
#  51 CYZN  H      76 TRP  HZ3    4.24             (#peak  1199 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1199, nxpk= 0, iat= 817,1220, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  41 TRP  H      42 HIS  H      5.07             (#peak  1205 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 1205, nxpk= 0, iat= 631, 655, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  41 TRP  H      41 TRP  HD1    3.76             (#peak  1206 #SUP  0.87  #QF  0.87;)
 &rst
  ixpk= 1206, nxpk= 0, iat= 631, 639, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#  76 TRP  HE3    77 GLU  H      4.11             (#peak  1210 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1210, nxpk= 0, iat=1222,1227, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  23 TYR  QE     25 HIS  H      4.55             (#peak  1211 #SUP  0.95  #QF  0.43;)
 &rst
  ixpk= 1211, nxpk= 0, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 349, 354,
 &end
#
#  25 HIS  H      25 HIS  HD2    5.39             (#peak  1214 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 1214, nxpk= 0, iat= 374, 387, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#  23 TYR  QD     25 HIS  H      4.18             (#peak  1215 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1215, nxpk= 0, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 347, 356,
 &end
#
#  55 ASN  H      55 ASN  HD21   5.59             (#peak  1223 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1223, nxpk= 0, iat= 859, 868, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,  &end
#
#  49 PHE  QE     78 ARG  H      4.95             (#peak  1225 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 1225, nxpk= 0, iat=  -1,1242, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 785, 789,
 &end
#
#  49 PHE  QD     78 ARG  H      4.55             (#peak  1226 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 1226, nxpk= 0, iat=  -1,1242, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 783, 791,
 &end
#
#  67 HIS  HD2    68 CYZN  H      5.48             (#peak  1233 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 1233, nxpk= 0, iat=1086,1090, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
#  15 VAL  H      44 GLY  H      4.91             (#peak  1236 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1236, nxpk= 0, iat= 215, 686, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  15 VAL  H      41 TRP  HE3    4.65             (#peak  1237 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 1237, nxpk= 0, iat= 215, 650, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#  21 CYZN  H      23 TYR  QE     5.22             (#peak  1242 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 1242, nxpk= 0, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 349, 354,
 &end
#
#  49 PHE  QD     59 SER  H      4.59             (#peak  1247 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 1247, nxpk= 0, iat=  -1, 930, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 783, 791,
 &end
#
#  19 LYS  H      40 HIS  H      5.36             (#peak  1248 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 1248, nxpk= 0, iat= 271, 614, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#  40 HIS  H      40 HIS  HD2    4.95             (#peak  1252 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1252, nxpk= 0, iat= 614, 627, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#  40 HIS  H      42 HIS  HD2    5.87             (#peak  1254 #SUP  1.00;)
 &rst
  ixpk= 1254, nxpk= 0, iat= 614, 668, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,  &end
#
#  49 PHE  H      49 PHE  QE     5.64             (#peak  1265 #SUP  0.90  #QF  0.87;)
 &rst
  ixpk= 1265, nxpk= 0, iat= 775,  -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr2= 785, 789,
 &end
#
#  67 HIS  HD2    74 PHE  H      6.15             (#peak  1265 #SUP  0.90  #QF  0.87;)
 &rst
  ixpk= 1265, nxpk= 0, iat=1086,1161, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,  &end
#
#  49 PHE  H      49 PHE  QD     3.88             (#peak  1267 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 1267, nxpk= 0, iat= 775,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2= 783, 791,
 &end
#
#  13 CYS  H      43 ASN  HA     5.89             (#peak  1269 #SUP  0.89  #QF  0.89;)
 &rst
  ixpk= 1269, nxpk= 0, iat= 180, 674, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,  &end
#
#  75 LYS  H      76 TRP  HD1    5.01             (#peak  1274 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 1274, nxpk= 0, iat=1181,1211, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
#  49 PHE  HZ     62 ARG  H      5.43             (#peak  1280 #SUP  0.81  #QF  0.81;)
 &rst
  ixpk= 1280, nxpk= 0, iat= 787, 972, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#  24 THR  H      25 HIS  HD2    4.88             (#peak  1281 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 1281, nxpk= 0, iat= 360, 387, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  23 TYR  QE     24 THR  H      5.42             (#peak  1283 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 1283, nxpk= 0, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 349, 354,
 &end
#
#  37 HIZ+  H      38 ASP  H      5.26             (#peak  1297 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1297, nxpk= 0, iat= 564, 582, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
#  37 HIZ+  H      37 HIZ+  HD2    3.79             (#peak  1302 #SUP  0.91  #QF  0.91;)
 &rst
  ixpk= 1302, nxpk= 0, iat= 564, 575, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#  16 VAL  H      17 THR  HA     5.91             (#peak  1303 #SUP  0.83  #QF  0.36;)
 &rst
  ixpk= 1303, nxpk= 0, iat= 231, 249, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,  &end
#
#  16 VAL  H      41 TRP  HA     6.16             (#peak  1303 #SUP  0.83  #QF  0.36;)
 &rst
  ixpk= 1303, nxpk= 0, iat= 231, 633, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  17 THR  H      42 HIS  HD2    4.22             (#peak  1310 #SUP  1.00;)
 &rst
  ixpk= 1310, nxpk= 0, iat= 247, 668, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#  82 LEU  H      83 LYS  H      5.24             (#peak  1314 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 1314, nxpk= 0, iat=1306,1325, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#  65 LYS  H      74 PHE  QE     5.10             (#peak  1315 #SUP  0.87  #QF  0.87;)
 &rst
  ixpk= 1315, nxpk= 0, iat=1029,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2=1171,1175,
 &end
#
#  47 ARG  H      49 PHE  QE     4.93             (#peak  1316 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1316, nxpk= 0, iat= 731,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2= 785, 789,
 &end
#
#  50 LYS  H      79 VAL  H      5.20             (#peak  1317 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 1317, nxpk= 0, iat= 795,1266, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   8 ILE  H       9 ARG  H      5.04             (#peak  1321 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1321, nxpk= 0, iat=  94, 113, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#  10 GLU  H      11 GLN  H      5.32             (#peak  1323 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 1323, nxpk= 0, iat= 137, 152, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
#  10 GLU  H      48 PHE  QE     5.54             (#peak  1325 #SUP  0.90  #QF  0.24;)
 &rst
  ixpk= 1325, nxpk= 0, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr2= 765, 769,
 &end
#
#  48 PHE  H      48 PHE  QE     5.88             (#peak  1325 #SUP  0.90  #QF  0.24;)
 &rst
  ixpk= 1325, nxpk= 0, iat= 755,  -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr2= 765, 769,
 &end
#
#  48 PHE  QD     82 LEU  H      6.08             (#peak  1330 #SUP  0.87  #QF  0.79;)
 &rst
  ixpk= 1330, nxpk= 0, iat=  -1,1306, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr1= 763, 771,
 &end
#
#  18 CYZN  H      23 TYR  QD     4.96             (#peak  1342 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 1342, nxpk= 0, iat= 261,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 347, 356,
 &end
#
#  34 SER  H      36 ASN  H      4.96             (#peak  1351 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1351, nxpk= 0, iat= 524, 550, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  38 ASP  H      39 PHE  QE     5.69             (#peak  1353 #SUP  0.96  #QF  0.45;)
 &rst
  ixpk= 1353, nxpk= 0, iat= 582,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr2= 604, 608,
 &end
#
#  39 PHE  H      39 PHE  QD     4.02             (#peak  1355 #SUP  1.00;)
 &rst
  ixpk= 1355, nxpk= 0, iat= 594,  -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr2= 602, 610,
 &end
#
#  35 GLU  H      37 HIZ+  HD2    5.64             (#peak  1361 #SUP  0.84  #QF  0.84;)
 &rst
  ixpk= 1361, nxpk= 0, iat= 535, 575, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,  &end
#
#  35 GLU  H      37 HIZ+  H      5.11             (#peak  1362 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1362, nxpk= 0, iat= 535, 564, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
#  36 ASN  H      36 ASN  HD21   5.14             (#peak  1369 #SUP  0.92  #QF  0.92;)
 &rst
  ixpk= 1369, nxpk= 0, iat= 550, 559, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#  26 PHE  H      27 LYS  H      3.95             (#peak  1370 #SUP  0.89  #QF  0.89;)
 &rst
  ixpk= 1370, nxpk= 0, iat= 391, 411, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  74 PHE  HZ     76 TRP  HE1    6.16             (#peak  1374 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 1374, nxpk= 0, iat=1173,1213, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  37 HIZ+  H      39 PHE  QE     4.61             (#peak  1377 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1377, nxpk= 0, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr2= 604, 608,
 &end
#
#  39 PHE  H      39 PHE  QE     5.33             (#peak  1378 #SUP  0.77  #QF  0.77;)
 &rst
  ixpk= 1378, nxpk= 0, iat= 594,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2= 604, 608,
 &end
#
#  39 PHE  HA     39 PHE  QE     6.08             (#peak  1379 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 1379, nxpk= 0, iat= 596,  -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr2= 604, 608,
 &end
#
#  74 PHE  QE     76 TRP  HE1    4.27             (#peak  1382 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1382, nxpk= 0, iat=  -1,1213, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1=1171,1175,
 &end
#
#  26 PHE  QD     60 LEU  H      6.16             (#peak  1383 #SUP  0.95  #QF  0.48;)
 &rst
  ixpk= 1383, nxpk= 0, iat=  -1, 941, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1= 399, 407,
 &end
#
#  74 PHE  QE     75 LYS  H      6.16             (#peak  1383 #SUP  0.95  #QF  0.48;)
 &rst
  ixpk= 1383, nxpk= 0, iat=  -1,1181, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1=1171,1175,
 &end
#
#  26 PHE  H      26 PHE  QD     3.94             (#peak  1386 #SUP  0.91  #QF  0.91;)
 &rst
  ixpk= 1386, nxpk= 0, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 399, 407,
 &end
#
#  26 PHE  QD     27 LYS  H      4.82             (#peak  1387 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 1387, nxpk= 0, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 399, 407,
 &end
#
#  74 PHE  QE     76 TRP  HD1    3.96             (#peak  1388 #SUP  1.00;)
 &rst
  ixpk= 1388, nxpk= 0, iat=  -1,1211, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1171,1175,
 &end
#
#  66 LYS  H      74 PHE  QE     4.84             (#peak  1390 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 1390, nxpk= 0, iat=1051,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2=1171,1175,
 &end
#
#  68 CYZN  H      76 TRP  HZ2    4.96             (#peak  1396 #SUP  0.89  #QF  0.89;)
 &rst
  ixpk= 1396, nxpk= 0, iat=1090,1216, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  49 PHE  QE     60 LEU  H      6.16             (#peak  1407 #SUP  1.00  #QF  0.96;)
 &rst
  ixpk= 1407, nxpk= 0, iat=  -1, 941, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1= 785, 789,
 &end
#
#  68 CYZN  H      74 PHE  QD     4.88             (#peak  1428 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 1428, nxpk= 0, iat=1090,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2=1169,1177,
 &end
#
#  74 PHE  QD     74 PHE  HZ     4.28             (#peak  1430 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 1430, nxpk= 0, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1169,1177,
 &end
#
#  23 TYR  QE     25 HIS  HD2    5.47             (#peak  1436 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1436, nxpk= 0, iat=  -1, 387, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1= 349, 354,
 &end
#
#  55 ASN  HD22   69 SER  H      4.36             (#peak  1439 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1439, nxpk= 0, iat= 869,1100, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#  16 VAL  H      41 TRP  HZ3    5.49             (#peak  1441 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1441, nxpk= 0, iat= 231, 648, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#  23 TYR  H      23 TYR  QD     4.39             (#peak  1445 #SUP  1.00;)
 &rst
  ixpk= 1445, nxpk= 0, iat= 339,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr2= 347, 356,
 &end
#
#  21 CYZN  H      23 TYR  H      5.24             (#peak  1447 #SUP  0.92  #QF  0.92;)
 &rst
  ixpk= 1447, nxpk= 0, iat= 307, 339, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#  39 PHE  QD     41 TRP  HE1    4.76             (#peak  1452 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 1452, nxpk= 0, iat=  -1, 641, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 602, 610,
 &end
#
#  39 PHE  QD     40 HIS  H      4.82             (#peak  1454 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 1454, nxpk= 0, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 602, 610,
 &end
#
#  11 GLN  HE22   48 PHE  HZ     4.35             (#peak  1458 #SUP  0.99  #QF  0.64;)
 &rst
  ixpk= 1458, nxpk= 0, iat= 165, 767, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#  39 PHE  HA     39 PHE  QD     3.85             (#peak  1459 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1459, nxpk= 0, iat= 596,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 602, 610,
 &end
#
#  32 CYZN  H      35 GLU  H      4.91             (#peak  1462 #SUP  0.21  #QF  0.21;)
 &rst
  ixpk= 1462, nxpk= 0, iat= 498, 535, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  49 PHE  QD     57 THR  H      5.49             (#peak  1487 #SUP  1.00;)
 &rst
  ixpk= 1487, nxpk= 0, iat=  -1, 897, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 783, 791,
 &end
#
#  49 PHE  QD     79 VAL  H      5.10             (#peak  1490 #SUP  1.00;)
 &rst
  ixpk= 1490, nxpk= 0, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 783, 791,
 &end
#
#  49 PHE  QD     49 PHE  HZ     4.27             (#peak  1491 #SUP  1.00;)
 &rst
  ixpk= 1491, nxpk= 0, iat=  -1, 787, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 783, 791,
 &end
#
#  74 PHE  QD     76 TRP  H      5.08             (#peak  1492 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 1492, nxpk= 0, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1=1169,1177,
 &end
#
#  76 TRP  H      76 TRP  HD1    3.64             (#peak  1493 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 1493, nxpk= 0, iat=1203,1211, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#  23 TYR  QD     25 HIS  HD2    4.49             (#peak  1504 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 1504, nxpk= 0, iat=  -1, 387, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 347, 356,
 &end
#
#  18 CYZN  HB2    39 PHE  HA     5.20             (#peak  1511 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1511, nxpk= 0, iat= 266, 596, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  50 LYS  QB     56 ARG  HA     4.76             (#peak  1517 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1517, nxpk= 0, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 799, 800,
 &end
#
#  56 ARG  HA     57 THR  QG2    4.89             (#peak  1519 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1519, nxpk= 0, iat= 875,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2= 903, 904, 905,
 &end
#
#  50 LYS  HA     51 CYZN  HB2    5.85             (#peak  1521 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1521, nxpk= 0, iat= 797, 821, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,  &end
#
#  50 LYS  HA     56 ARG  HB2    5.62             (#peak  1523 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 1523, nxpk= 0, iat= 797, 877, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,  &end
#
#  49 PHE  HA     57 THR  QG2    5.17             (#peak  1533 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 1533, nxpk= 0, iat= 777,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr2= 903, 904, 905,
 &end
#
#  49 PHE  HA     76 TRP  HB3    5.28             (#peak  1534 #SUP  0.82  #QF  0.82;)
 &rst
  ixpk= 1534, nxpk= 0, iat= 777,1208, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  15 VAL  QG2    41 TRP  HA     5.20             (#peak  1546 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1546, nxpk= 0, iat=  -1, 633, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 225, 226, 227,
 &end
#
#  57 THR  QG2    58 ILE  HA     5.14             (#peak  1553 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1553, nxpk= 0, iat=  -1, 913, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 903, 904, 905,
 &end
#
#  16 VAL  QG2    40 HIS  HA     5.32             (#peak  1555 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1555, nxpk= 0, iat=  -1, 616, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr1= 241, 242, 243,
 &end
#
#  48 PHE  HA     58 ILE  QD1    5.26             (#peak  1563 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1563, nxpk= 0, iat= 757,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr2= 924, 925, 926,
 &end
#
#  14 ARG  HA     15 VAL  QG1    4.66             (#peak  1573 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1573, nxpk= 0, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 221, 222, 223,
 &end
#
#  77 GLU  HA     78 ARG  HB2    5.14             (#peak  1587 #SUP  0.85  #QF  0.85;)
 &rst
  ixpk= 1587, nxpk= 0, iat=1229,1246, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#  14 ARG  QG     15 VAL  HA     5.51             (#peak  1596 #SUP  0.92  #QF  0.33;)
 &rst
  ixpk= 1596, nxpk= 0, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr1= 198, 199,
 &end
#
#  27 LYS  HA     27 LYS  QD     5.68             (#peak  1596 #SUP  0.92  #QF  0.33;)
 &rst
  ixpk= 1596, nxpk= 0, iat= 413,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr2= 421, 422,
 &end
#
#  16 VAL  QG2    18 CYZN  HA     4.92             (#peak  1611 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 1611, nxpk= 0, iat=  -1, 263, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr1= 241, 242, 243,
 &end
#
#  51 CYZN  HA     52 PRO  HG2    5.34             (#peak  1617 #SUP  0.74  #QF  0.74;)
 &rst
  ixpk= 1617, nxpk= 0, iat= 819, 832, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
#  15 VAL  QG1    45 VAL  HA     5.28             (#peak  1621 #SUP  0.55  #QF  0.55;)
 &rst
  ixpk= 1621, nxpk= 0, iat=  -1, 695, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 221, 222, 223,
 &end
#
#  15 VAL  QG2    44 GLY  HA2    4.67             (#peak  1622 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 1622, nxpk= 0, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 225, 226, 227,
 &end
#
#   9 ARG  HA      9 ARG  QD     4.89             (#peak  1642 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 1642, nxpk= 0, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2= 123, 124,
 &end
#
#   6 GLN  HA      6 GLN  QG     3.64             (#peak  1653 #SUP  0.94  #QF  0.27;)
 &rst
  ixpk= 1653, nxpk= 0, iat=  68,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr2=  73,  74,
 &end
#
#  87 GLY  HA2    88 PRO  QD     3.85             (#peak  1670 #SUP  0.80  #QF  0.80;)
 &rst
  ixpk= 1670, nxpk= 0, iat=1400,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2=1406,1407,
 &end
#
#  59 SER  HB3    64 PRO  HA     5.10             (#peak  1677 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1677, nxpk= 0, iat= 935,1025, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  20 THR  QG2    21 CYZN  HA     4.55             (#peak  1687 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 1687, nxpk= 0, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 299, 300, 301,
 &end
#
#  34 SER  HA     34 SER  HB2    3.21             (#peak  1688 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 1688, nxpk= 0, iat= 526, 528, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
#  12 SER  QB     45 VAL  QG2    5.41             (#peak  1690 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 1690, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
 igr1= 173, 174,
 igr2= 703, 704, 705,
 &end
#
#  62 ARG  HA     62 ARG  QD     4.27             (#peak  1694 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 1694, nxpk= 0, iat= 974,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2= 982, 983,
 &end
#
#  68 CYZN  HB3    72 GLY  HA3    5.33             (#peak  1696 #SUP  0.84  #QF  0.84;)
 &rst
  ixpk= 1696, nxpk= 0, iat=1094,1138, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#  19 LYS  HA     22 LYS  HA     4.24             (#peak  1697 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 1697, nxpk= 0, iat= 273, 319, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  16 VAL  QG1    28 PRO  HD2    4.33             (#peak  1700 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1700, nxpk= 0, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 237, 238, 239,
 &end
#
#  50 LYS  QE     56 ARG  QD     4.32             (#peak  1727 #SUP  1.00;)
 &rst
  ixpk= 1727, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 808, 809,
 igr2= 883, 884,
 &end
#
#  17 THR  HB     40 HIS  HB3    4.87             (#peak  1733 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1733, nxpk= 0, iat= 251, 619, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#  13 CYS  HB2    15 VAL  QG1    5.66             (#peak  1734 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1734, nxpk= 0, iat= 184,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr2= 221, 222, 223,
 &end
#
#  16 VAL  QG2    32 CYZN  HB2    6.16             (#peak  1735 #SUP  0.88  #QF  0.88;)
 &rst
  ixpk= 1735, nxpk= 0, iat=  -1, 503, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
 igr1= 241, 242, 243,
 &end
#
#  20 THR  HA     22 LYS  QE     5.92             (#peak  1736 #SUP  0.54  #QF  0.23;)
 &rst
  ixpk= 1736, nxpk= 0, iat= 295,  -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
 igr2= 330, 331,
 &end
#
#  64 PRO  HG2    76 TRP  HB2    5.39             (#peak  1751 #SUP  0.88  #QF  0.88;)
 &rst
  ixpk= 1751, nxpk= 0, iat=1019,1207, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#  16 VAL  QG2    18 CYZN  HB2    5.39             (#peak  1759 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 1759, nxpk= 0, iat=  -1, 266, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1= 241, 242, 243,
 &end
#
#  64 PRO  HD2    76 TRP  HB2    4.72             (#peak  1772 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 1772, nxpk= 0, iat=1016,1207, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  30 GLU  QB     31 THR  HA     4.77             (#peak  1777 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 1777, nxpk= 0, iat=  -1, 486, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 473, 474,
 &end
#
#  16 VAL  QG1    27 LYS  QB     5.20             (#peak  1786 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1786, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1= 237, 238, 239,
 igr2= 415, 416,
 &end
#
#   9 ARG  HB2     9 ARG  QD     4.59             (#peak  1792 #SUP  0.98  #QF  0.94;)
 &rst
  ixpk= 1792, nxpk= 0, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 123, 124,
 &end
#
#  62 ARG  QB     62 ARG  QD     4.38             (#peak  1801 #SUP  0.60  #QF  0.60;)
 &rst
  ixpk= 1801, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 976, 977,
 igr2= 982, 983,
 &end
#
#  14 ARG  QG     15 VAL  QG2    5.29             (#peak  1805 #SUP  0.87  #QF  0.87;)
 &rst
  ixpk= 1805, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr1= 198, 199,
 igr2= 225, 226, 227,
 &end
#
#  46 LYS  HB2    60 LEU  QD2    5.60             (#peak  1822 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1822, nxpk= 0, iat= 713,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 954, 955, 956,
 &end
#
#  29 LYS  HA     29 LYS  QD     5.14             (#peak  1828 #SUP  0.74  #QF  0.24;)
 &rst
  ixpk= 1828, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr2= 457, 458,
 &end
#
#  62 ARG  HA     62 ARG  HG3    4.12             (#peak  1836 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1836, nxpk= 0, iat= 974, 980, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#  15 VAL  QG1    60 LEU  HB2    5.89             (#peak  1847 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 1847, nxpk= 0, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 221, 222, 223,
 &end
#
#  60 LEU  HB2    60 LEU  QD1    4.03             (#peak  1848 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1848, nxpk= 0, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 950, 951, 952,
 &end
#
#  19 LYS  HA     19 LYS  HG2    4.11             (#peak  1850 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1850, nxpk= 0, iat= 273, 278, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  62 ARG  QD     63 LEU  QB     5.07             (#peak  1858 #SUP  0.99  #QF  0.97;)
 &rst
  ixpk= 1858, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr1= 982, 983,
 igr2=1000,1001,
 &end
#
#  63 LEU  QB     64 PRO  HG2    5.61             (#peak  1861 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 1861, nxpk= 0, iat=  -1,1019, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1000,1001,
 &end
#
#  29 LYS  HA     29 LYS  HG2    4.26             (#peak  1863 #SUP  0.89  #QF  0.89;)
 &rst
  ixpk= 1863, nxpk= 0, iat= 449, 454, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  27 LYS  HG3    28 PRO  HD2    5.64             (#peak  1866 #SUP  0.94  #QF  0.94;)
 &rst
  ixpk= 1866, nxpk= 0, iat= 419, 434, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,  &end
#
#  15 VAL  QG1    60 LEU  HG     5.04             (#peak  1872 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1872, nxpk= 0, iat=  -1, 948, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 221, 222, 223,
 &end
#
#  31 THR  HA     31 THR  QG2    3.06             (#peak  1879 #SUP  0.98  #QF  0.92;)
 &rst
  ixpk= 1879, nxpk= 0, iat= 486,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr2= 490, 491, 492,
 &end
#
#  20 THR  QG2    22 LYS  QG     6.15             (#peak  1884 #SUP  0.74  #QF  0.74;)
 &rst
  ixpk= 1884, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
 igr1= 299, 300, 301,
 igr2= 324, 325,
 &end
#
#  53 CYZN  HB2    70 THR  QG2    5.29             (#peak  1885 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1885, nxpk= 0, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr2=1117,1118,1119,
 &end
#
#  33 VAL  HA     33 VAL  QG2    3.17             (#peak  1894 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1894, nxpk= 0, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 518, 519, 520,
 &end
#
#  63 LEU  HA     63 LEU  QD2    4.36             (#peak  1897 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1897, nxpk= 0, iat= 998,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2=1009,1010,1011,
 &end
#
#  59 SER  HB2    64 PRO  HB2    5.57             (#peak  1899 #SUP  1.00  #QF  0.43;)
 &rst
  ixpk= 1899, nxpk= 0, iat= 934,1022, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,  &end
#
#  15 VAL  QG1    24 THR  QG2    4.05             (#peak  1908 #SUP  1.00;)
 &rst
  ixpk= 1908, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 221, 222, 223,
 igr2= 366, 367, 368,
 &end
#
#  17 THR  QG2    22 LYS  HA     4.83             (#peak  1920 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1920, nxpk= 0, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 253, 254, 255,
 &end
#
#  49 PHE  HB3    79 VAL  QG1    5.82             (#peak  1923 #SUP  0.97  #QF  0.33;)
 &rst
  ixpk= 1923, nxpk= 0, iat= 780,  -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr2=1272,1273,1274,
 &end
#
#   7 SER  QB      8 ILE  QG2    6.16             (#peak  1927 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 1927, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
 igr1=  87,  88,
 igr2= 100, 101, 102,
 &end
#
#  77 GLU  HG2    79 VAL  QG1    5.17             (#peak  1931 #SUP  0.45  #QF  0.45;)
 &rst
  ixpk= 1931, nxpk= 0, iat=1234,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr2=1272,1273,1274,
 &end
#
#  11 GLN  QG     45 VAL  QG1    6.16             (#peak  1940 #SUP  0.64  #QF  0.34;)
 &rst
  ixpk= 1940, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
 igr1= 159, 160,
 igr2= 699, 700, 701,
 &end
#
#  11 GLN  QG     82 LEU  QQD    6.16             (#peak  1940 #SUP  0.64  #QF  0.34;)
 &rst
  ixpk= 1940, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.32, r4= 9.82,
 igr1= 159, 160,
 igr2=1315,1316,1317,1319,1320,1321,
 &end
#
#   8 ILE  QD1    10 GLU  QG     4.96             (#peak  1941 #SUP  0.97  #QF  0.69;)
 &rst
  ixpk= 1941, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1= 107, 108, 109,
 igr2= 144, 145,
 &end
#
#  48 PHE  QB     58 ILE  QG2    5.16             (#peak  1955 #SUP  0.99  #QF  0.39;)
 &rst
  ixpk= 1955, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1= 759, 760,
 igr2= 917, 918, 919,
 &end
#
#  58 ILE  QG2    60 LEU  QD2    6.16             (#peak  1956 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 1956, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.88, r4= 9.38,
 igr1= 917, 918, 919,
 igr2= 954, 955, 956,
 &end
#
#  20 THR  HA     20 THR  QG2    3.17             (#peak  1957 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1957, nxpk= 0, iat= 295,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 299, 300, 301,
 &end
#
#  15 VAL  QG1    44 GLY  HA3    4.18             (#peak  1959 #SUP  0.70  #QF  0.70;)
 &rst
  ixpk= 1959, nxpk= 0, iat=  -1, 689, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1= 221, 222, 223,
 &end
#
#  20 THR  QG2    22 LYS  QE     6.16             (#peak  1962 #SUP  0.95  #QF  0.93;)
 &rst
  ixpk= 1962, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
 igr1= 299, 300, 301,
 igr2= 330, 331,
 &end
#
#  15 VAL  QG2    60 LEU  QD1    5.22             (#peak  1973 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1973, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
 igr1= 225, 226, 227,
 igr2= 950, 951, 952,
 &end
#
#  60 LEU  HB2    60 LEU  QD2    4.03             (#peak  1977 #SUP  1.00;)
 &rst
  ixpk= 1977, nxpk= 0, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 954, 955, 956,
 &end
#
#  15 VAL  QG1    60 LEU  QD2    3.39             (#peak  1980 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1980, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 221, 222, 223,
 igr2= 954, 955, 956,
 &end
#
#  15 VAL  QG2    60 LEU  QD2    5.22             (#peak  1982 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1982, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
 igr1= 225, 226, 227,
 igr2= 954, 955, 956,
 &end
#
#  57 THR  QG2    64 PRO  HG3    4.24             (#peak  1984 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 1984, nxpk= 0, iat=  -1,1020, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 903, 904, 905,
 &end
#
#  16 VAL  QG1    25 HIS  HB3    5.06             (#peak  1992 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 1992, nxpk= 0, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 237, 238, 239,
 &end
#
#  16 VAL  QG1    28 PRO  HG2    4.75             (#peak  1994 #SUP  1.00;)
 &rst
  ixpk= 1994, nxpk= 0, iat=  -1, 437, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 237, 238, 239,
 &end
#
#  57 THR  QG2    59 SER  HB2    5.24             (#peak  1998 #SUP  1.00;)
 &rst
  ixpk= 1998, nxpk= 0, iat=  -1, 934, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 903, 904, 905,
 &end
#
#  16 VAL  QG1    25 HIS  HB2    5.00             (#peak  2000 #SUP  0.81  #QF  0.81;)
 &rst
  ixpk= 2000, nxpk= 0, iat=  -1, 378, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 237, 238, 239,
 &end
#
#  49 PHE  HB2    57 THR  QG2    3.85             (#peak  2002 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 2002, nxpk= 0, iat= 779,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 903, 904, 905,
 &end
#
#  57 THR  QG2    66 LYS  QD     5.17             (#peak  2003 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 2003, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr1= 903, 904, 905,
 igr2=1061,1062,
 &end
#
#  16 VAL  QG2    17 THR  HB     5.33             (#peak  2022 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 2022, nxpk= 0, iat=  -1, 251, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 241, 242, 243,
 &end
#
#  16 VAL  QG2    28 PRO  HD2    5.73             (#peak  2022 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 2022, nxpk= 0, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
 igr1= 241, 242, 243,
 &end
#
#  16 VAL  QG2    28 PRO  HD3    4.60             (#peak  2023 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 2023, nxpk= 0, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 241, 242, 243,
 &end
#
#  16 VAL  QG2    28 PRO  HG2    5.14             (#peak  2026 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 2026, nxpk= 0, iat=  -1, 437, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 241, 242, 243,
 &end
#
#  16 VAL  QG2    28 PRO  HB3    4.48             (#peak  2030 #SUP  0.88  #QF  0.88;)
 &rst
  ixpk= 2030, nxpk= 0, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 241, 242, 243,
 &end
#
#  16 VAL  QG1    41 TRP  HE1    5.53             (#peak  2034 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 2034, nxpk= 0, iat=  -1, 641, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
 igr1= 237, 238, 239,
 &end
#
#  50 LYS  H      50 LYS  HG3    5.10             (#peak  2043 #SUP  0.90  #QF  0.90;)
 &rst
  ixpk= 2043, nxpk= 0, iat= 795, 803, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  50 LYS  H      57 THR  QG2    5.35             (#peak  2045 #SUP  1.00;)
 &rst
  ixpk= 2045, nxpk= 0, iat= 795,  -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr2= 903, 904, 905,
 &end
#
#  70 THR  H      70 THR  QG2    4.31             (#peak  2050 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 2050, nxpk= 0, iat=1111,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2=1117,1118,1119,
 &end
#
#  51 CYZN  H      55 ASN  HB2    6.16             (#peak  2055 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 2055, nxpk= 0, iat= 817, 863, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  18 CYZN  HB2    19 LYS  H      5.01             (#peak  2057 #SUP  1.00;)
 &rst
  ixpk= 2057, nxpk= 0, iat= 266, 271, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
#  53 CYZN  HB3    55 ASN  H      6.07             (#peak  2084 #SUP  0.44  #QF  0.44;)
 &rst
  ixpk= 2084, nxpk= 0, iat= 846, 859, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,  &end
#
#  50 LYS  HG3    55 ASN  H      5.14             (#peak  2099 #SUP  0.82  #QF  0.35;)
 &rst
  ixpk= 2099, nxpk= 0, iat= 803, 859, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#  14 ARG  HB2    15 VAL  H      5.17             (#peak  2116 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 2116, nxpk= 0, iat= 195, 215, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#  74 PHE  H      75 LYS  HG3    5.75             (#peak  2157 #SUP  0.83  #QF  0.45;)
 &rst
  ixpk= 2157, nxpk= 0, iat=1161,1189, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,  &end
#
#  60 LEU  H      60 LEU  HG     4.44             (#peak  2158 #SUP  0.81  #QF  0.81;)
 &rst
  ixpk= 2158, nxpk= 0, iat= 941, 948, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  53 CYZN  H      53 CYZN  HB3    4.11             (#peak  2170 #SUP  0.71  #QF  0.71;)
 &rst
  ixpk= 2170, nxpk= 0, iat= 842, 846, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  31 THR  HA     34 SER  H      4.23             (#peak  2215 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 2215, nxpk= 0, iat= 486, 524, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#  16 VAL  QG1    17 THR  H      4.79             (#peak  2223 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 2223, nxpk= 0, iat=  -1, 247, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 237, 238, 239,
 &end
#
#   8 ILE  H       8 ILE  HG12   4.69             (#peak  2250 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 2250, nxpk= 0, iat=  94, 104, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#   9 ARG  HB3    10 GLU  H      5.12             (#peak  2259 #SUP  0.98  #QF  0.80;)
 &rst
  ixpk= 2259, nxpk= 0, iat= 118, 137, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#  20 THR  H      20 THR  QG2    4.26             (#peak  2267 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 2267, nxpk= 0, iat= 293,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 299, 300, 301,
 &end
#
#  16 VAL  QG1    29 LYS  H      5.20             (#peak  2297 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 2297, nxpk= 0, iat=  -1, 447, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 237, 238, 239,
 &end
#
#  34 SER  HA     36 ASN  H      4.59             (#peak  2313 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 2313, nxpk= 0, iat= 526, 550, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#  31 THR  QG2    35 GLU  H      5.75             (#peak  2334 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 2334, nxpk= 0, iat=  -1, 535, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1= 490, 491, 492,
 &end
#
#  31 THR  HA     35 GLU  H      4.65             (#peak  2336 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 2336, nxpk= 0, iat= 486, 535, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#  66 LYS  H      66 LYS  QD     5.13             (#peak  2348 #SUP  0.96  #QF  0.81;)
 &rst
  ixpk= 2348, nxpk= 0, iat=1051,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2=1061,1062,
 &end
#
#  41 TRP  QB     41 TRP  HD1    4.14             (#peak  2362 #SUP  0.94  #QF  0.75;)
 &rst
  ixpk= 2362, nxpk= 0, iat=  -1, 639, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 635, 636,
 &end
#
#  63 LEU  QB     74 PHE  HZ     4.20             (#peak  2365 #SUP  1.00;)
 &rst
  ixpk= 2365, nxpk= 0, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1=1000,1001,
 &end
#
#  16 VAL  QG1    41 TRP  HE3    5.51             (#peak  2367 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 2367, nxpk= 0, iat=  -1, 650, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr1= 237, 238, 239,
 &end
#
#  33 VAL  HA     39 PHE  QE     4.11             (#peak  2371 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 2371, nxpk= 0, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2= 604, 608,
 &end
#
#  18 CYZN  HB2    39 PHE  QE     4.70             (#peak  2377 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 2377, nxpk= 0, iat= 266,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 604, 608,
 &end
#
#  33 VAL  QG2    39 PHE  QE     4.52             (#peak  2379 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 2379, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1= 518, 519, 520,
 igr2= 604, 608,
 &end
#
#  26 PHE  QD     27 LYS  QD     5.32             (#peak  2383 #SUP  1.00  #QF  0.23;)
 &rst
  ixpk= 2383, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr1= 399, 407,
 igr2= 421, 422,
 &end
#
#  64 PRO  HG2    74 PHE  QE     4.85             (#peak  2386 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 2386, nxpk= 0, iat=1019,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2=1171,1175,
 &end
#
#  49 PHE  HZ     78 ARG  HD2    5.33             (#peak  2388 #SUP  0.48  #QF  0.48;)
 &rst
  ixpk= 2388, nxpk= 0, iat= 787,1252, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#  26 PHE  QD     46 LYS  QD     4.76             (#peak  2394 #SUP  1.00;)
 &rst
  ixpk= 2394, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 399, 407,
 igr2= 719, 720,
 &end
#
#  26 PHE  QD     60 LEU  HG     4.75             (#peak  2395 #SUP  0.99  #QF  0.52;)
 &rst
  ixpk= 2395, nxpk= 0, iat=  -1, 948, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1= 399, 407,
 &end
#
#  49 PHE  HZ     64 PRO  HD3    5.00             (#peak  2395 #SUP  0.99  #QF  0.52;)
 &rst
  ixpk= 2395, nxpk= 0, iat= 787,1017, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  26 PHE  QD     58 ILE  QG2    4.88             (#peak  2396 #SUP  0.91  #QF  0.91;)
 &rst
  ixpk= 2396, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1= 399, 407,
 igr2= 917, 918, 919,
 &end
#
#  26 PHE  QD     60 LEU  QD2    4.33             (#peak  2399 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 2399, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 399, 407,
 igr2= 954, 955, 956,
 &end
#
#  15 VAL  QG2    26 PHE  QD     6.16             (#peak  2400 #SUP  1.00;)
 &rst
  ixpk= 2400, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
 igr1= 225, 226, 227,
 igr2= 399, 407,
 &end
#
#  49 PHE  HZ     62 ARG  HA     4.73             (#peak  2402 #SUP  0.93  #QF  0.93;)
 &rst
  ixpk= 2402, nxpk= 0, iat= 787, 974, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#  49 PHE  HZ     78 ARG  HD3    5.33             (#peak  2407 #SUP  0.59  #QF  0.59;)
 &rst
  ixpk= 2407, nxpk= 0, iat= 787,1253, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#  55 ASN  HB3    76 TRP  HZ2    6.16             (#peak  2413 #SUP  0.92  #QF  0.57;)
 &rst
  ixpk= 2413, nxpk= 0, iat= 864,1216, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  66 LYS  QE     76 TRP  HZ2    6.16             (#peak  2413 #SUP  0.92  #QF  0.57;)
 &rst
  ixpk= 2413, nxpk= 0, iat=  -1,1216, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1=1064,1065,
 &end
#
#  16 VAL  QG1    41 TRP  HH2    4.29             (#peak  2416 #SUP  0.95  #QF  0.30;)
 &rst
  ixpk= 2416, nxpk= 0, iat=  -1, 646, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 237, 238, 239,
 &end
#
#  57 THR  QG2    76 TRP  HZ2    4.52             (#peak  2416 #SUP  0.95  #QF  0.30;)
 &rst
  ixpk= 2416, nxpk= 0, iat=  -1,1216, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 903, 904, 905,
 &end
#
#  48 PHE  QD     81 MET  HA     4.36             (#peak  2421 #SUP  1.00  #QF  0.22;)
 &rst
  ixpk= 2421, nxpk= 0, iat=  -1,1291, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 763, 771,
 &end
#
#  49 PHE  QE     59 SER  HB3    3.83             (#peak  2422 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 2422, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 785, 789,
 &end
#
#   9 ARG  HB2    48 PHE  QD     4.80             (#peak  2430 #SUP  0.34  #QF  0.34;)
 &rst
  ixpk= 2430, nxpk= 0, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 763, 771,
 &end
#
#  49 PHE  QE     64 PRO  HG2    6.16             (#peak  2439 #SUP  0.45  #QF  0.45;)
 &rst
  ixpk= 2439, nxpk= 0, iat=  -1,1019, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1= 785, 789,
 &end
#
#  47 ARG  QG     49 PHE  QE     4.96             (#peak  2444 #SUP  0.98  #QF  0.91;)
 &rst
  ixpk= 2444, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 738, 739,
 igr2= 785, 789,
 &end
#
#  11 GLN  QB     48 PHE  QE     5.88             (#peak  2451 #SUP  0.92  #QF  0.54;)
 &rst
  ixpk= 2451, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 156, 157,
 igr2= 765, 769,
 &end
#
#  33 VAL  HA     39 PHE  HZ     3.77             (#peak  2454 #SUP  0.96  #QF  0.94;)
 &rst
  ixpk= 2454, nxpk= 0, iat= 510, 606, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  16 VAL  QG1    41 TRP  HZ3    4.68             (#peak  2472 #SUP  1.00;)
 &rst
  ixpk= 2472, nxpk= 0, iat=  -1, 648, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 237, 238, 239,
 &end
#
#  16 VAL  QG2    41 TRP  HZ3    5.87             (#peak  2474 #SUP  1.00;)
 &rst
  ixpk= 2474, nxpk= 0, iat=  -1, 648, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr1= 241, 242, 243,
 &end
#
#  21 CYZN  HB2    23 TYR  H      4.92             (#peak  2477 #SUP  1.00  #QF  0.91;)
 &rst
  ixpk= 2477, nxpk= 0, iat= 312, 339, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  26 PHE  QE     46 LYS  QD     4.88             (#peak  2481 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 2481, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 401, 405,
 igr2= 719, 720,
 &end
#
#  26 PHE  QE     60 LEU  QD2    4.85             (#peak  2486 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 2486, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 401, 405,
 igr2= 954, 955, 956,
 &end
#
#  49 PHE  HB3    76 TRP  HZ3    6.16             (#peak  2493 #SUP  0.94  #QF  0.90;)
 &rst
  ixpk= 2493, nxpk= 0, iat= 780,1220, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  51 CYZN  HB3    76 TRP  HZ3    4.66             (#peak  2496 #SUP  0.99  #QF  0.98;)
 &rst
  ixpk= 2496, nxpk= 0, iat= 822,1220, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#  57 THR  HB     76 TRP  HZ3    4.85             (#peak  2503 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 2503, nxpk= 0, iat= 901,1220, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#  51 CYZN  HB2    76 TRP  HZ3    4.40             (#peak  2504 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 2504, nxpk= 0, iat= 821,1220, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  32 CYZN  H      33 VAL  HB     5.17             (#peak  2511 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 2511, nxpk= 0, iat= 498, 512, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#  49 PHE  QD     58 ILE  HB     6.16             (#peak  2527 #SUP  1.00  #QF  0.97;)
 &rst
  ixpk= 2527, nxpk= 0, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1= 783, 791,
 &end
#
#  49 PHE  QD     63 LEU  HG     6.16             (#peak  2527 #SUP  1.00  #QF  0.97;)
 &rst
  ixpk= 2527, nxpk= 0, iat=  -1,1003, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1= 783, 791,
 &end
#
#  63 LEU  HG     76 TRP  H      6.16             (#peak  2527 #SUP  1.00  #QF  0.97;)
 &rst
  ixpk= 2527, nxpk= 0, iat=1003,1203, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  49 PHE  QD     64 PRO  HG3    4.73             (#peak  2530 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 2530, nxpk= 0, iat=  -1,1020, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 783, 791,
 &end
#
#  64 PRO  HB3    76 TRP  HD1    6.16             (#peak  2552 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 2552, nxpk= 0, iat=1023,1211, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  64 PRO  HD3    76 TRP  HD1    5.33             (#peak  2553 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 2553, nxpk= 0, iat=1017,1211, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#  17 THR  QG2    24 THR  HA     4.52             (#peak  2567 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 2567, nxpk= 0, iat=  -1, 362, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 253, 254, 255,
 &end
#
#  58 ILE  HA     58 ILE  QG2    3.47             (#peak  2569 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 2569, nxpk= 0, iat= 913,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr2= 917, 918, 919,
 &end
#
#   6 GLN  HA      7 SER  H      3.73             (#peak  2575 #SUP  1.00  #QF  0.30;)
 &rst
  ixpk= 2575, nxpk= 0, iat=  68,  83, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#  46 LYS  HA     60 LEU  HA     4.22             (#peak  2589 #SUP  0.91  #QF  0.91;)
 &rst
  ixpk= 2589, nxpk= 0, iat= 711, 943, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#  69 SER  HA     69 SER  HB2    3.37             (#peak  2590 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 2590, nxpk= 0, iat=1102,1104, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
#  69 SER  HA     69 SER  HB3    3.37             (#peak  2591 #SUP  0.82  #QF  0.82;)
 &rst
  ixpk= 2591, nxpk= 0, iat=1102,1105, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
#  57 THR  QG2    64 PRO  HA     6.16             (#peak  2599 #SUP  0.91  #QF  0.91;)
 &rst
  ixpk= 2599, nxpk= 0, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
 igr1= 903, 904, 905,
 &end
#
#  24 THR  QG2    60 LEU  QD2    4.30             (#peak  2601 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 2601, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 366, 367, 368,
 igr2= 954, 955, 956,
 &end
#
#  24 THR  QG2    60 LEU  QD1    4.30             (#peak  2602 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 2602, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 366, 367, 368,
 igr2= 950, 951, 952,
 &end
#
#  46 LYS  HG2    58 ILE  QG2    4.36             (#peak  2604 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 2604, nxpk= 0, iat= 716,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 917, 918, 919,
 &end
#
#  15 VAL  QG1    60 LEU  QD1    3.39             (#peak  2607 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 2607, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 221, 222, 223,
 igr2= 950, 951, 952,
 &end
#
#  58 ILE  QG2    60 LEU  QD1    6.16             (#peak  2609 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 2609, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.88, r4= 9.38,
 igr1= 917, 918, 919,
 igr2= 950, 951, 952,
 &end
#
#  16 VAL  QG1    28 PRO  HG3    4.10             (#peak  2613 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 2613, nxpk= 0, iat=  -1, 438, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 237, 238, 239,
 &end
#
#   8 ILE  H       8 ILE  QG2    4.44             (#peak  2626 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 2626, nxpk= 0, iat=  94,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2= 100, 101, 102,
 &end
#
#  17 THR  HA     24 THR  QG2    4.44             (#peak  2632 #SUP  0.97  #QF  0.97;)
 &rst
  ixpk= 2632, nxpk= 0, iat= 249,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2= 366, 367, 368,
 &end
#
#  33 VAL  HA     33 VAL  QG1    3.17             (#peak  2640 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 2640, nxpk= 0, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 514, 515, 516,
 &end
#
#  67 HIS  HD2    74 PHE  QD     5.04             (#peak  2654 #SUP  0.70  #QF  0.43;)
 &rst
  ixpk= 2654, nxpk= 0, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=1169,1177,
 &end
#
#  55 ASN  HD22   76 TRP  HZ2    5.25             (#peak  2655 #SUP  0.88  #QF  0.88;)
 &rst
  ixpk= 2655, nxpk= 0, iat= 869,1216, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#  65 LYS  HA     74 PHE  QE     4.23             (#peak  2657 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 2657, nxpk= 0, iat=1031,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr2=1171,1175,
 &end
#
#  52 PRO  HD2    75 LYS  HB3    5.57             (#peak  2697 #SUP  0.98  #QF  0.98;)
 &rst
  ixpk= 2697, nxpk= 0, iat= 829,1186, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,  &end
#
#   9 ARG  HB2    81 MET  HA     4.02             (#peak  2699 #SUP  0.68  #QF  0.68;)
 &rst
  ixpk= 2699, nxpk= 0, iat= 117,1291, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#  79 VAL  HA     79 VAL  QG1    3.30             (#peak  2716 #SUP  0.99  #QF  0.99;)
 &rst
  ixpk= 2716, nxpk= 0, iat=1268,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2=1272,1273,1274,
 &end
#
#  16 VAL  HA     16 VAL  QG2    3.38             (#peak  2717 #SUP  1.00;)
 &rst
  ixpk= 2717, nxpk= 0, iat= 233,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 241, 242, 243,
 &end
#
#  53 CYZN  HB3    71 CYZN  HB3    4.56             (#peak  2724 #SUP  0.95  #QF  0.95;)
 &rst
  ixpk= 2724, nxpk= 0, iat= 846,1129, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#  49 PHE  HB3    76 TRP  HB2    4.88             (#peak  2725 #SUP  0.92  #QF  0.92;)
 &rst
  ixpk= 2725, nxpk= 0, iat= 780,1207, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  10 GLU  HB2    10 GLU  QG     3.18             (#peak  2742 #SUP  0.91  #QF  0.91;)
 &rst
  ixpk= 2742, nxpk= 0, iat= 141,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr2= 144, 145,
 &end
#
#  83 LYS  HA     83 LYS  QD     4.73             (#peak  2749 #SUP  0.97  #QF  0.95;)
 &rst
  ixpk= 2749, nxpk= 0, iat=1327,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2=1335,1336,
 &end
#
#  32 CYZN  HA     35 GLU  HB2    4.04             (#peak  2762 #SUP  0.84  #QF  0.84;)
 &rst
  ixpk= 2762, nxpk= 0, iat= 500, 539, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  16 VAL  QG1    26 PHE  HA     5.32             (#peak  2771 #SUP  0.98  #QF  0.93;)
 &rst
  ixpk= 2771, nxpk= 0, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr1= 237, 238, 239,
 &end
#
#  57 THR  QG2    76 TRP  HA     5.75             (#peak  2771 #SUP  0.98  #QF  0.93;)
 &rst
  ixpk= 2771, nxpk= 0, iat=  -1,1205, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1= 903, 904, 905,
 &end
#
#  35 GLU  H      36 ASN  H      3.65             (#peak  2773 #SUP  0.96  #QF  0.96;)
 &rst
  ixpk= 2773, nxpk= 0, iat= 535, 550, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#   4 GLY  QA      5 MET  QB     5.98             (#peak  1829;)
 &rst
  ixpk= 1829, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
 igr1=  44,  45,
 igr2=  53,  54,
 &end
#
#   5 MET  H       5 MET  QB     3.76             (#peak   886;)
 &rst
  ixpk= 886, nxpk= 0, iat=  49,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2=  53,  54,
 &end
#
#   5 MET  H       5 MET  QG     4.52             (#peak   977;)
 &rst
  ixpk= 977, nxpk= 0, iat=  49,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2=  56,  57,
 &end
#
#   5 MET  HA      5 MET  QG     4.02             (#peak  2221;)
 &rst
  ixpk= 2221, nxpk= 0, iat=  51,  -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr2=  56,  57,
 &end
#
#   6 GLN  H       6 GLN  QB     3.72             (#peak   604;)
 &rst
  ixpk= 604, nxpk= 0, iat=  66,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2=  70,  71,
 &end
#
#   6 GLN  HA      6 GLN  QE2    5.78             (#peak   233;)
 &rst
  ixpk= 233, nxpk= 0, iat=  68,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2=  78,  79,
 &end
#
#   6 GLN  QB      7 SER  H      4.38             (#peak   855;)
 &rst
  ixpk= 855, nxpk= 0, iat=  -1,  83, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1=  70,  71,
 &end
#
#   6 GLN  QB      7 SER  QB     5.32             (#peak   440;)
 &rst
  ixpk= 440, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr1=  70,  71,
 igr2=  87,  88,
 &end
#
#   7 SER  HA      8 ILE  QG1    4.95             (#peak  2188;)
 &rst
  ixpk= 2188, nxpk= 0, iat=  85,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 104, 105,
 &end
#
#   8 ILE  H       8 ILE  QG1    3.75             (#peak   636;)
 &rst
  ixpk= 636, nxpk= 0, iat=  94,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr2= 104, 105,
 &end
#
#   8 ILE  HA      8 ILE  QG1    3.72             (#peak   483;)
 &rst
  ixpk= 483, nxpk= 0, iat=  96,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2= 104, 105,
 &end
#
#   8 ILE  QG2     8 ILE  QG1    3.71             (#peak   109;)
 &rst
  ixpk= 109, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 100, 101, 102,
 igr2= 104, 105,
 &end
#
#   8 ILE  QG1     9 ARG  H      5.47             (#peak   949;)
 &rst
  ixpk= 949, nxpk= 0, iat=  -1, 113, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1= 104, 105,
 &end
#
#   8 ILE  QG1    10 GLU  QG     4.89             (#peak  2342;)
 &rst
  ixpk= 2342, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 104, 105,
 igr2= 144, 145,
 &end
#
#   9 ARG  HA     80 GLY  QA     5.88             (#peak   710;)
 &rst
  ixpk= 710, nxpk= 0, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr2=1284,1285,
 &end
#
#   9 ARG  HG2    80 GLY  QA     5.98             (#peak  1948;)
 &rst
  ixpk= 1948, nxpk= 0, iat= 120,  -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr2=1284,1285,
 &end
#
#   9 ARG  HG3    80 GLY  QA     4.41             (#peak  1949;)
 &rst
  ixpk= 1949, nxpk= 0, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2=1284,1285,
 &end
#
#   9 ARG  QD     80 GLY  QA     5.98             (#peak  1965;)
 &rst
  ixpk= 1965, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
 igr1= 123, 124,
 igr2=1284,1285,
 &end
#
#  10 GLU  HA     45 VAL  QQG    4.87             (#peak   201;)
 &rst
  ixpk= 201, nxpk= 0, iat= 139,  -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#  10 GLU  HB2    45 VAL  QQG    3.79             (#peak   207;)
 &rst
  ixpk= 207, nxpk= 0, iat= 141,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#  10 GLU  HB2    47 ARG  QD     5.47             (#peak  1779;)
 &rst
  ixpk= 1779, nxpk= 0, iat= 141,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr2= 741, 742,
 &end
#
#  10 GLU  HB3    45 VAL  QQG    3.96             (#peak  2685;)
 &rst
  ixpk= 2685, nxpk= 0, iat= 142,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#  10 GLU  HB3    47 ARG  QD     4.75             (#peak  1791;)
 &rst
  ixpk= 1791, nxpk= 0, iat= 142,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2= 741, 742,
 &end
#
#  10 GLU  QG     45 VAL  QQG    3.62             (#peak  2344;)
 &rst
  ixpk= 2344, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 144, 145,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#  11 GLN  H      45 VAL  QQG    3.99             (#peak   199;)
 &rst
  ixpk= 199, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#  11 GLN  QG     45 VAL  QQG    4.98             (#peak  1043;)
 &rst
  ixpk= 1043, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
 igr1= 159, 160,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#  11 GLN  HE22   81 MET  QB     5.98             (#peak   959;)
 &rst
  ixpk= 959, nxpk= 0, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr2=1293,1294,
 &end
#
#  12 SER  HA     45 VAL  QQG    4.07             (#peak   200;)
 &rst
  ixpk= 200, nxpk= 0, iat= 171,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#  12 SER  QB     43 ASN  QD2    5.24             (#peak   433;)
 &rst
  ixpk= 433, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1= 173, 174,
 igr2= 681, 682,
 &end
#
#  12 SER  QB     45 VAL  QQG    4.65             (#peak   193;)
 &rst
  ixpk= 193, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
 igr1= 173, 174,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#  13 CYS  H      13 CYS  QB     3.84             (#peak   491;)
 &rst
  ixpk= 491, nxpk= 0, iat= 180,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 184, 185,
 &end
#
#  13 CYS  QB     14 ARG  H      3.38             (#peak   814;)
 &rst
  ixpk= 814, nxpk= 0, iat=  -1, 191, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr1= 184, 185,
 &end
#
#  13 CYS  QB     15 VAL  QG1    4.84             (#peak  1734;)
 &rst
  ixpk= 1734, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 184, 185,
 igr2= 221, 222, 223,
 &end
#
#  13 CYS  QB     26 PHE  QD     5.94             (#peak  1568;)
 &rst
  ixpk= 1568, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98,
 igr1= 184, 185,
 igr2= 399, 407,
 &end
#
#  14 ARG  HA     14 ARG  QD     4.67             (#peak  1910;)
 &rst
  ixpk= 1910, nxpk= 0, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 201, 202,
 &end
#
#  14 ARG  HA     43 ASN  QD2    4.97             (#peak   946;)
 &rst
  ixpk= 946, nxpk= 0, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2= 681, 682,
 &end
#
#  14 ARG  HB2    14 ARG  QD     3.99             (#peak  1549;)
 &rst
  ixpk= 1549, nxpk= 0, iat= 195,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2= 201, 202,
 &end
#
#  14 ARG  HB2    43 ASN  QD2    5.89             (#peak   758;)
 &rst
  ixpk= 758, nxpk= 0, iat= 195,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 681, 682,
 &end
#
#  14 ARG  HB3    14 ARG  QD     4.05             (#peak  1548;)
 &rst
  ixpk= 1548, nxpk= 0, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2= 201, 202,
 &end
#
#  14 ARG  QG     43 ASN  QD2    4.91             (#peak   776;)
 &rst
  ixpk= 776, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
 igr1= 198, 199,
 igr2= 681, 682,
 &end
#
#  14 ARG  QD     15 VAL  H      5.05             (#peak  1915;)
 &rst
  ixpk= 1915, nxpk= 0, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 201, 202,
 &end
#
#  14 ARG  QD     41 TRP  HA     5.28             (#peak  1542;)
 &rst
  ixpk= 1542, nxpk= 0, iat=  -1, 633, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 201, 202,
 &end
#
#  14 ARG  QD     41 TRP  HE3    3.92             (#peak  2361;)
 &rst
  ixpk= 2361, nxpk= 0, iat=  -1, 650, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 201, 202,
 &end
#
#  14 ARG  QD     42 HIS  H      5.29             (#peak  2051;)
 &rst
  ixpk= 2051, nxpk= 0, iat=  -1, 655, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 201, 202,
 &end
#
#  14 ARG  QD     42 HIS  HA     4.98             (#peak   583;)
 &rst
  ixpk= 583, nxpk= 0, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 201, 202,
 &end
#
#  15 VAL  HA     26 PHE  QB     5.43             (#peak  1973;)
 &rst
  ixpk= 1973, nxpk= 0, iat= 217,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2= 395, 396,
 &end
#
#  15 VAL  HA     60 LEU  QQD    5.31             (#peak  1150;)
 &rst
  ixpk= 1150, nxpk= 0, iat= 217,  -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr2= 950, 951, 952, 954, 955, 956,
 &end
#
#  15 VAL  HB     60 LEU  QQD    4.73             (#peak  1976;)
 &rst
  ixpk= 1976, nxpk= 0, iat= 219,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr2= 950, 951, 952, 954, 955, 956,
 &end
#
#  15 VAL  QG1    26 PHE  QB     5.26             (#peak  1961;)
 &rst
  ixpk= 1961, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr1= 221, 222, 223,
 igr2= 395, 396,
 &end
#
#  15 VAL  QG1    46 LYS  QE     5.21             (#peak  1143;)
 &rst
  ixpk= 1143, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
 igr1= 221, 222, 223,
 igr2= 722, 723,
 &end
#
#  15 VAL  QG2    45 VAL  QQG    6.09             (#peak  1942;)
 &rst
  ixpk= 1942, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.86, r4=10.36,
 igr1= 225, 226, 227,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#  15 VAL  QG2    60 LEU  QQD    4.10             (#peak  1973;)
 &rst
  ixpk= 1973, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
 igr1= 225, 226, 227,
 igr2= 950, 951, 952, 954, 955, 956,
 &end
#
#  16 VAL  H      60 LEU  QQD    5.79             (#peak  1090;)
 &rst
  ixpk= 1090, nxpk= 0, iat= 231,  -1, r1= 1.30, r2= 1.80, r3= 7.80, r4= 8.30,
 igr2= 950, 951, 952, 954, 955, 956,
 &end
#
#  16 VAL  QG2    33 VAL  QQG    6.09             (#peak  1919;)
 &rst
  ixpk= 1919, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.86, r4=10.36,
 igr1= 241, 242, 243,
 igr2= 514, 515, 516, 518, 519, 520,
 &end
#
#  22 LYS  H      22 LYS  QB     3.91             (#peak   713;)
 &rst
  ixpk= 713, nxpk= 0, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2= 321, 322,
 &end
#
#  22 LYS  QB     22 LYS  QE     5.24             (#peak  1206;)
 &rst
  ixpk= 1206, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1= 321, 322,
 igr2= 330, 331,
 &end
#
#  23 TYR  QD     29 LYS  QE     5.98             (#peak   595;)
 &rst
  ixpk= 595, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
 igr1= 347, 356,
 igr2= 460, 461,
 &end
#
#  23 TYR  QE     29 LYS  QB     5.42             (#peak   621;)
 &rst
  ixpk= 621, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr1= 349, 354,
 igr2= 451, 452,
 &end
#
#  23 TYR  QE     29 LYS  QG     5.50             (#peak  2253;)
 &rst
  ixpk= 2253, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 349, 354,
 igr2= 454, 455,
 &end
#
#  24 THR  H      60 LEU  QQD    5.87             (#peak  1088;)
 &rst
  ixpk= 1088, nxpk= 0, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41,
 igr2= 950, 951, 952, 954, 955, 956,
 &end
#
#  24 THR  HB     60 LEU  QQD    4.70             (#peak  1974;)
 &rst
  ixpk= 1974, nxpk= 0, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr2= 950, 951, 952, 954, 955, 956,
 &end
#
#  24 THR  QG2    60 LEU  QQD    3.48             (#peak  2601;)
 &rst
  ixpk= 2601, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 366, 367, 368,
 igr2= 950, 951, 952, 954, 955, 956,
 &end
#
#  25 HIS  H      60 LEU  QQD    4.88             (#peak    39;)
 &rst
  ixpk= 39, nxpk= 0, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr2= 950, 951, 952, 954, 955, 956,
 &end
#
#  25 HIS  HA     60 LEU  QQD    3.58             (#peak  1172;)
 &rst
  ixpk= 1172, nxpk= 0, iat= 376,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 950, 951, 952, 954, 955, 956,
 &end
#
#  25 HIS  HB3    27 LYS  QG     5.98             (#peak  1366;)
 &rst
  ixpk= 1366, nxpk= 0, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr2= 418, 419,
 &end
#
#  25 HIS  HB3    60 LEU  QQD    5.26             (#peak  1176;)
 &rst
  ixpk= 1176, nxpk= 0, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr2= 950, 951, 952, 954, 955, 956,
 &end
#
#  25 HIS  HD2    60 LEU  QQD    4.88             (#peak  1094;)
 &rst
  ixpk= 1094, nxpk= 0, iat= 387,  -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr2= 950, 951, 952, 954, 955, 956,
 &end
#
#  26 PHE  H      26 PHE  QB     3.98             (#peak   542;)
 &rst
  ixpk= 542, nxpk= 0, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2= 395, 396,
 &end
#
#  26 PHE  H      60 LEU  QQD    4.72             (#peak  1092;)
 &rst
  ixpk= 1092, nxpk= 0, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr2= 950, 951, 952, 954, 955, 956,
 &end
#
#  26 PHE  HA     60 LEU  QQD    4.80             (#peak  1174;)
 &rst
  ixpk= 1174, nxpk= 0, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr2= 950, 951, 952, 954, 955, 956,
 &end
#
#  26 PHE  QB     27 LYS  H      3.66             (#peak   696;)
 &rst
  ixpk= 696, nxpk= 0, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 395, 396,
 &end
#
#  26 PHE  QB     27 LYS  QB     5.57             (#peak  1977;)
 &rst
  ixpk= 1977, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
 igr1= 395, 396,
 igr2= 415, 416,
 &end
#
#  26 PHE  QB     27 LYS  QG     4.95             (#peak  1367;)
 &rst
  ixpk= 1367, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 395, 396,
 igr2= 418, 419,
 &end
#
#  26 PHE  QD     46 LYS  QE     4.46             (#peak   580;)
 &rst
  ixpk= 580, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 399, 407,
 igr2= 722, 723,
 &end
#
#  26 PHE  QD     60 LEU  QQD    3.33             (#peak  1084;)
 &rst
  ixpk= 1084, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 399, 407,
 igr2= 950, 951, 952, 954, 955, 956,
 &end
#
#  26 PHE  QE     60 LEU  QQD    3.83             (#peak  1085;)
 &rst
  ixpk= 1085, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 401, 405,
 igr2= 950, 951, 952, 954, 955, 956,
 &end
#
#  27 LYS  H      27 LYS  QG     3.94             (#peak   698;)
 &rst
  ixpk= 698, nxpk= 0, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 418, 419,
 &end
#
#  27 LYS  QG     28 PRO  HD2    4.82             (#peak  1866;)
 &rst
  ixpk= 1866, nxpk= 0, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 418, 419,
 &end
#
#  28 PRO  HA     29 LYS  QB     4.87             (#peak  2146;)
 &rst
  ixpk= 2146, nxpk= 0, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr2= 451, 452,
 &end
#
#  28 PRO  HA     33 VAL  QQG    5.16             (#peak  2144;)
 &rst
  ixpk= 2144, nxpk= 0, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr2= 514, 515, 516, 518, 519, 520,
 &end
#
#  28 PRO  HB2    33 VAL  QQG    3.45             (#peak   268;)
 &rst
  ixpk= 268, nxpk= 0, iat= 440,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 514, 515, 516, 518, 519, 520,
 &end
#
#  28 PRO  HB3    33 VAL  QQG    4.16             (#peak   269;)
 &rst
  ixpk= 269, nxpk= 0, iat= 441,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 514, 515, 516, 518, 519, 520,
 &end
#
#  28 PRO  HG2    33 VAL  QQG    3.62             (#peak   266;)
 &rst
  ixpk= 266, nxpk= 0, iat= 437,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2= 514, 515, 516, 518, 519, 520,
 &end
#
#  28 PRO  HD2    33 VAL  QQG    4.89             (#peak  1817;)
 &rst
  ixpk= 1817, nxpk= 0, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr2= 514, 515, 516, 518, 519, 520,
 &end
#
#  28 PRO  HD3    33 VAL  QQG    5.30             (#peak  1913;)
 &rst
  ixpk= 1913, nxpk= 0, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr2= 514, 515, 516, 518, 519, 520,
 &end
#
#  29 LYS  H      29 LYS  QB     3.51             (#peak   557;)
 &rst
  ixpk= 557, nxpk= 0, iat= 447,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2= 451, 452,
 &end
#
#  29 LYS  H      29 LYS  QG     3.45             (#peak   560;)
 &rst
  ixpk= 560, nxpk= 0, iat= 447,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2= 454, 455,
 &end
#
#  29 LYS  H      33 VAL  QQG    5.11             (#peak  1008;)
 &rst
  ixpk= 1008, nxpk= 0, iat= 447,  -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
 igr2= 514, 515, 516, 518, 519, 520,
 &end
#
#  29 LYS  HA     29 LYS  QG     3.70             (#peak  1863;)
 &rst
  ixpk= 1863, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2= 454, 455,
 &end
#
#  29 LYS  QB     29 LYS  QE     3.19             (#peak  1856;)
 &rst
  ixpk= 1856, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr1= 451, 452,
 igr2= 460, 461,
 &end
#
#  29 LYS  QB     30 GLU  H      3.17             (#peak  1197;)
 &rst
  ixpk= 1197, nxpk= 0, iat=  -1, 469, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
 igr1= 451, 452,
 &end
#
#  29 LYS  QB     31 THR  H      3.30             (#peak    61;)
 &rst
  ixpk= 61, nxpk= 0, iat=  -1, 484, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 451, 452,
 &end
#
#  29 LYS  QB     31 THR  HB     5.50             (#peak   361;)
 &rst
  ixpk= 361, nxpk= 0, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 451, 452,
 &end
#
#  29 LYS  QB     32 CYZN  H      3.70             (#peak    77;)
 &rst
  ixpk= 77, nxpk= 0, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr1= 451, 452,
 &end
#
#  29 LYS  QB     32 CYZN  HB2    5.17             (#peak  1598;)
 &rst
  ixpk= 1598, nxpk= 0, iat=  -1, 503, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 451, 452,
 &end
#
#  29 LYS  QB     33 VAL  H      5.40             (#peak    90;)
 &rst
  ixpk= 90, nxpk= 0, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 451, 452,
 &end
#
#  29 LYS  QG     29 LYS  QE     3.74             (#peak  1858;)
 &rst
  ixpk= 1858, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 454, 455,
 igr2= 460, 461,
 &end
#
#  29 LYS  QG     30 GLU  H      4.11             (#peak  1199;)
 &rst
  ixpk= 1199, nxpk= 0, iat=  -1, 469, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 454, 455,
 &end
#
#  29 LYS  QG     31 THR  H      4.86             (#peak    63;)
 &rst
  ixpk= 63, nxpk= 0, iat=  -1, 484, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 454, 455,
 &end
#
#  29 LYS  QE     31 THR  H      5.90             (#peak    59;)
 &rst
  ixpk= 59, nxpk= 0, iat=  -1, 484, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr1= 460, 461,
 &end
#
#  29 LYS  QE     31 THR  HB     5.98             (#peak   358;)
 &rst
  ixpk= 358, nxpk= 0, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr1= 460, 461,
 &end
#
#  29 LYS  QE     31 THR  QG2    5.98             (#peak  1881;)
 &rst
  ixpk= 1881, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56,
 igr1= 460, 461,
 igr2= 490, 491, 492,
 &end
#
#  30 GLU  H      33 VAL  QQG    6.09             (#peak    52;)
 &rst
  ixpk= 52, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 8.21, r4= 8.71,
 igr2= 514, 515, 516, 518, 519, 520,
 &end
#
#  30 GLU  HA     33 VAL  QQG    4.23             (#peak  2111;)
 &rst
  ixpk= 2111, nxpk= 0, iat= 471,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 514, 515, 516, 518, 519, 520,
 &end
#
#  30 GLU  QB     33 VAL  QQG    6.09             (#peak  1222;)
 &rst
  ixpk= 1222, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.21, r4= 9.71,
 igr1= 473, 474,
 igr2= 514, 515, 516, 518, 519, 520,
 &end
#
#  30 GLU  QG     33 VAL  QQG    5.73             (#peak   867;)
 &rst
  ixpk= 867, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.67, r4= 9.17,
 igr1= 476, 477,
 igr2= 514, 515, 516, 518, 519, 520,
 &end
#
#  31 THR  H      33 VAL  QQG    5.78             (#peak    65;)
 &rst
  ixpk= 65, nxpk= 0, iat= 484,  -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
 igr2= 514, 515, 516, 518, 519, 520,
 &end
#
#  31 THR  HA     35 GLU  QG     4.00             (#peak  1756;)
 &rst
  ixpk= 1756, nxpk= 0, iat= 486,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 542, 543,
 &end
#
#  31 THR  HB     35 GLU  QG     4.56             (#peak   359;)
 &rst
  ixpk= 359, nxpk= 0, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 542, 543,
 &end
#
#  31 THR  QG2    35 GLU  QG     3.99             (#peak  1882;)
 &rst
  ixpk= 1882, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 490, 491, 492,
 igr2= 542, 543,
 &end
#
#  32 CYZN  H      33 VAL  QQG    4.28             (#peak    81;)
 &rst
  ixpk= 81, nxpk= 0, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr2= 514, 515, 516, 518, 519, 520,
 &end
#
#  32 CYZN  H      35 GLU  QG     5.98             (#peak   871;)
 &rst
  ixpk= 871, nxpk= 0, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr2= 542, 543,
 &end
#
#  32 CYZN  HA     33 VAL  QQG    5.56             (#peak  2377;)
 &rst
  ixpk= 2377, nxpk= 0, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99,
 igr2= 514, 515, 516, 518, 519, 520,
 &end
#
#  32 CYZN  HA     35 GLU  QG     5.98             (#peak  2374;)
 &rst
  ixpk= 2374, nxpk= 0, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr2= 542, 543,
 &end
#
#  32 CYZN  HB2    33 VAL  QQG    4.36             (#peak  2282;)
 &rst
  ixpk= 2282, nxpk= 0, iat= 503,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 514, 515, 516, 518, 519, 520,
 &end
#
#  32 CYZN  HB3    33 VAL  QQG    4.31             (#peak   264;)
 &rst
  ixpk= 264, nxpk= 0, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2= 514, 515, 516, 518, 519, 520,
 &end
#
#  33 VAL  H      33 VAL  QQG    3.18             (#peak   991;)
 &rst
  ixpk= 991, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2= 514, 515, 516, 518, 519, 520,
 &end
#
#  33 VAL  QQG    34 SER  HA     4.30             (#peak  2277;)
 &rst
  ixpk= 2277, nxpk= 0, iat=  -1, 526, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 514, 515, 516, 518, 519, 520,
 &end
#
#  33 VAL  QQG    34 SER  HB2    5.57             (#peak  2131;)
 &rst
  ixpk= 2131, nxpk= 0, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 7.51, r4= 8.01,
 igr1= 514, 515, 516, 518, 519, 520,
 &end
#
#  33 VAL  QQG    34 SER  HB3    6.09             (#peak  2130;)
 &rst
  ixpk= 2130, nxpk= 0, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 8.21, r4= 8.71,
 igr1= 514, 515, 516, 518, 519, 520,
 &end
#
#  33 VAL  QQG    35 GLU  H      5.85             (#peak   958;)
 &rst
  ixpk= 958, nxpk= 0, iat=  -1, 535, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
 igr1= 514, 515, 516, 518, 519, 520,
 &end
#
#  33 VAL  QQG    36 ASN  H      5.14             (#peak   257;)
 &rst
  ixpk= 257, nxpk= 0, iat=  -1, 550, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 514, 515, 516, 518, 519, 520,
 &end
#
#  33 VAL  QQG    36 ASN  HA     5.42             (#peak   253;)
 &rst
  ixpk= 253, nxpk= 0, iat=  -1, 552, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
 igr1= 514, 515, 516, 518, 519, 520,
 &end
#
#  33 VAL  QQG    39 PHE  QD     5.34             (#peak   992;)
 &rst
  ixpk= 992, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
 igr1= 514, 515, 516, 518, 519, 520,
 igr2= 602, 610,
 &end
#
#  33 VAL  QQG    39 PHE  QE     3.56             (#peak   987;)
 &rst
  ixpk= 987, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 514, 515, 516, 518, 519, 520,
 igr2= 604, 608,
 &end
#
#  33 VAL  QQG    39 PHE  HZ     3.26             (#peak   990;)
 &rst
  ixpk= 990, nxpk= 0, iat=  -1, 606, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr1= 514, 515, 516, 518, 519, 520,
 &end
#
#  34 SER  H      35 GLU  QG     5.06             (#peak   875;)
 &rst
  ixpk= 875, nxpk= 0, iat= 524,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2= 542, 543,
 &end
#
#  34 SER  HA     35 GLU  QG     5.98             (#peak   488;)
 &rst
  ixpk= 488, nxpk= 0, iat= 526,  -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr2= 542, 543,
 &end
#
#  34 SER  HB2    35 GLU  QG     5.86             (#peak  1689;)
 &rst
  ixpk= 1689, nxpk= 0, iat= 528,  -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr2= 542, 543,
 &end
#
#  34 SER  HB3    35 GLU  QG     4.74             (#peak  2125;)
 &rst
  ixpk= 2125, nxpk= 0, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2= 542, 543,
 &end
#
#  35 GLU  H      35 GLU  QG     3.28             (#peak   120;)
 &rst
  ixpk= 120, nxpk= 0, iat= 535,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr2= 542, 543,
 &end
#
#  35 GLU  HA     35 GLU  QG     3.48             (#peak  2321;)
 &rst
  ixpk= 2321, nxpk= 0, iat= 537,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr2= 542, 543,
 &end
#
#  35 GLU  QG     37 HIZ+  HD2    4.97             (#peak   665;)
 &rst
  ixpk= 665, nxpk= 0, iat=  -1, 575, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 542, 543,
 &end
#
#  43 ASN  HA     43 ASN  QD2    4.96             (#peak   923;)
 &rst
  ixpk= 923, nxpk= 0, iat= 674,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 681, 682,
 &end
#
#  43 ASN  HB3    43 ASN  QD2    3.47             (#peak  1186;)
 &rst
  ixpk= 1186, nxpk= 0, iat= 677,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2= 681, 682,
 &end
#
#  44 GLY  H      45 VAL  QQG    5.89             (#peak  1022;)
 &rst
  ixpk= 1022, nxpk= 0, iat= 686,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#  44 GLY  H      60 LEU  QQD    5.71             (#peak  1164;)
 &rst
  ixpk= 1164, nxpk= 0, iat= 686,  -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
 igr2= 950, 951, 952, 954, 955, 956,
 &end
#
#  44 GLY  HA2    45 VAL  QQG    4.66             (#peak   727;)
 &rst
  ixpk= 727, nxpk= 0, iat= 688,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#  44 GLY  HA2    60 LEU  QQD    6.09             (#peak   729;)
 &rst
  ixpk= 729, nxpk= 0, iat= 688,  -1, r1= 1.30, r2= 1.80, r3= 8.21, r4= 8.71,
 igr2= 950, 951, 952, 954, 955, 956,
 &end
#
#  44 GLY  HA3    45 VAL  QQG    4.61             (#peak   192;)
 &rst
  ixpk= 192, nxpk= 0, iat= 689,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#  44 GLY  HA3    60 LEU  QQD    4.82             (#peak  1717;)
 &rst
  ixpk= 1717, nxpk= 0, iat= 689,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr2= 950, 951, 952, 954, 955, 956,
 &end
#
#  45 VAL  H      45 VAL  QQG    3.49             (#peak   196;)
 &rst
  ixpk= 196, nxpk= 0, iat= 693,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#  45 VAL  H      60 LEU  QQD    4.17             (#peak  1159;)
 &rst
  ixpk= 1159, nxpk= 0, iat= 693,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2= 950, 951, 952, 954, 955, 956,
 &end
#
#  45 VAL  HA     45 VAL  QQG    3.16             (#peak   202;)
 &rst
  ixpk= 202, nxpk= 0, iat= 695,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#  45 VAL  HA     60 LEU  QQD    4.67             (#peak  1151;)
 &rst
  ixpk= 1151, nxpk= 0, iat= 695,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 950, 951, 952, 954, 955, 956,
 &end
#
#  45 VAL  QQG    46 LYS  H      3.58             (#peak   198;)
 &rst
  ixpk= 198, nxpk= 0, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 699, 700, 701, 703, 704, 705,
 &end
#
#  45 VAL  QQG    46 LYS  HA     4.86             (#peak   203;)
 &rst
  ixpk= 203, nxpk= 0, iat=  -1, 711, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 699, 700, 701, 703, 704, 705,
 &end
#
#  45 VAL  QQG    46 LYS  QD     4.55             (#peak   209;)
 &rst
  ixpk= 209, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
 igr1= 699, 700, 701, 703, 704, 705,
 igr2= 719, 720,
 &end
#
#  45 VAL  QQG    47 ARG  HA     5.51             (#peak   203;)
 &rst
  ixpk= 203, nxpk= 0, iat=  -1, 733, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
 igr1= 699, 700, 701, 703, 704, 705,
 &end
#
#  45 VAL  QQG    47 ARG  HB3    6.09             (#peak  2267;)
 &rst
  ixpk= 2267, nxpk= 0, iat=  -1, 736, r1= 1.30, r2= 1.80, r3= 8.21, r4= 8.71,
 igr1= 699, 700, 701, 703, 704, 705,
 &end
#
#  45 VAL  QQG    47 ARG  QG     4.70             (#peak   210;)
 &rst
  ixpk= 210, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
 igr1= 699, 700, 701, 703, 704, 705,
 igr2= 738, 739,
 &end
#
#  45 VAL  QQG    47 ARG  QD     5.05             (#peak   205;)
 &rst
  ixpk= 205, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 699, 700, 701, 703, 704, 705,
 igr2= 741, 742,
 &end
#
#  45 VAL  QQG    47 ARG  HE     4.72             (#peak  1054;)
 &rst
  ixpk= 1054, nxpk= 0, iat=  -1, 744, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 699, 700, 701, 703, 704, 705,
 &end
#
#  46 LYS  H      60 LEU  QQD    4.97             (#peak  1079;)
 &rst
  ixpk= 1079, nxpk= 0, iat= 709,  -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr2= 950, 951, 952, 954, 955, 956,
 &end
#
#  46 LYS  HA     60 LEU  QQD    3.72             (#peak  1153;)
 &rst
  ixpk= 1153, nxpk= 0, iat= 711,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 950, 951, 952, 954, 955, 956,
 &end
#
#  46 LYS  HB2    46 LYS  QE     3.79             (#peak  1862;)
 &rst
  ixpk= 1862, nxpk= 0, iat= 713,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2= 722, 723,
 &end
#
#  46 LYS  HB2    60 LEU  QQD    4.11             (#peak  1138;)
 &rst
  ixpk= 1138, nxpk= 0, iat= 713,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 950, 951, 952, 954, 955, 956,
 &end
#
#  46 LYS  HB3    46 LYS  QE     4.07             (#peak  1878;)
 &rst
  ixpk= 1878, nxpk= 0, iat= 714,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr2= 722, 723,
 &end
#
#  46 LYS  HB3    60 LEU  QQD    4.95             (#peak   913;)
 &rst
  ixpk= 913, nxpk= 0, iat= 714,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr2= 950, 951, 952, 954, 955, 956,
 &end
#
#  46 LYS  HG3    46 LYS  QE     3.91             (#peak  1864;)
 &rst
  ixpk= 1864, nxpk= 0, iat= 717,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2= 722, 723,
 &end
#
#  46 LYS  HG3    60 LEU  QQD    5.34             (#peak  1892;)
 &rst
  ixpk= 1892, nxpk= 0, iat= 717,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr2= 950, 951, 952, 954, 955, 956,
 &end
#
#  46 LYS  QE     48 PHE  QD     5.98             (#peak   582;)
 &rst
  ixpk= 582, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
 igr1= 722, 723,
 igr2= 763, 771,
 &end
#
#  46 LYS  QE     48 PHE  QE     4.68             (#peak  1871;)
 &rst
  ixpk= 1871, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 722, 723,
 igr2= 765, 769,
 &end
#
#  46 LYS  QE     48 PHE  HZ     5.98             (#peak   582;)
 &rst
  ixpk= 582, nxpk= 0, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr1= 722, 723,
 &end
#
#  46 LYS  QE     58 ILE  QG2    4.17             (#peak  1865;)
 &rst
  ixpk= 1865, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 722, 723,
 igr2= 917, 918, 919,
 &end
#
#  46 LYS  QE     58 ILE  QD1    4.64             (#peak    98;)
 &rst
  ixpk= 98, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 722, 723,
 igr2= 924, 925, 926,
 &end
#
#  46 LYS  QE     60 LEU  QQD    4.94             (#peak  1145;)
 &rst
  ixpk= 1145, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
 igr1= 722, 723,
 igr2= 950, 951, 952, 954, 955, 956,
 &end
#
#  47 ARG  H      60 LEU  QQD    4.59             (#peak  1161;)
 &rst
  ixpk= 1161, nxpk= 0, iat= 731,  -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
 igr2= 950, 951, 952, 954, 955, 956,
 &end
#
#  47 ARG  HA     47 ARG  QD     4.49             (#peak  1102;)
 &rst
  ixpk= 1102, nxpk= 0, iat= 733,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 741, 742,
 &end
#
#  47 ARG  HB3    47 ARG  QD     4.00             (#peak  2270;)
 &rst
  ixpk= 2270, nxpk= 0, iat= 736,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 741, 742,
 &end
#
#  47 ARG  QD     58 ILE  QG2    5.98             (#peak  2052;)
 &rst
  ixpk= 2052, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56,
 igr1= 741, 742,
 igr2= 917, 918, 919,
 &end
#
#  48 PHE  HA     58 ILE  QG1    5.17             (#peak  1305;)
 &rst
  ixpk= 1305, nxpk= 0, iat= 757,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 921, 922,
 &end
#
#  48 PHE  QB     58 ILE  QG1    4.50             (#peak  1924;)
 &rst
  ixpk= 1924, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 759, 760,
 igr2= 921, 922,
 &end
#
#  48 PHE  QD     58 ILE  QG1    3.76             (#peak  1011;)
 &rst
  ixpk= 1011, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 763, 771,
 igr2= 921, 922,
 &end
#
#  48 PHE  QD     80 GLY  QA     5.15             (#peak   711;)
 &rst
  ixpk= 711, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 763, 771,
 igr2=1284,1285,
 &end
#
#  48 PHE  QE     81 MET  QB     5.29             (#peak   797;)
 &rst
  ixpk= 797, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
 igr1= 765, 769,
 igr2=1293,1294,
 &end
#
#  49 PHE  H      58 ILE  QG1    5.12             (#peak   975;)
 &rst
  ixpk= 975, nxpk= 0, iat= 775,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2= 921, 922,
 &end
#
#  49 PHE  HB3    63 LEU  QQD    5.61             (#peak   755;)
 &rst
  ixpk= 755, nxpk= 0, iat= 780,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1005,1006,1007,1009,1010,1011,
 &end
#
#  49 PHE  QD     58 ILE  QG1    5.11             (#peak  1012;)
 &rst
  ixpk= 1012, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1= 783, 791,
 igr2= 921, 922,
 &end
#
#  49 PHE  QD     63 LEU  QQD    4.21             (#peak   973;)
 &rst
  ixpk= 973, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87,
 igr1= 783, 791,
 igr2=1005,1006,1007,1009,1010,1011,
 &end
#
#  49 PHE  QD     78 ARG  QD     5.45             (#peak   455;)
 &rst
  ixpk= 455, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
 igr1= 783, 791,
 igr2=1252,1253,
 &end
#
#  49 PHE  QE     63 LEU  QQD    3.65             (#peak   971;)
 &rst
  ixpk= 971, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 785, 789,
 igr2=1005,1006,1007,1009,1010,1011,
 &end
#
#  49 PHE  HZ     63 LEU  QQD    4.21             (#peak   970;)
 &rst
  ixpk= 970, nxpk= 0, iat= 787,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2=1005,1006,1007,1009,1010,1011,
 &end
#
#  49 PHE  HZ     78 ARG  QD     4.67             (#peak  2388;)
 &rst
  ixpk= 2388, nxpk= 0, iat= 787,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2=1252,1253,
 &end
#
#  50 LYS  QB     77 GLU  QG     5.47             (#peak  2332;)
 &rst
  ixpk= 2332, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
 igr1= 799, 800,
 igr2=1234,1235,
 &end
#
#  50 LYS  HG3    54 GLY  QA     5.48             (#peak   749;)
 &rst
  ixpk= 749, nxpk= 0, iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2= 854, 855,
 &end
#
#  50 LYS  QD     54 GLY  QA     5.98             (#peak   748;)
 &rst
  ixpk= 748, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
 igr1= 805, 806,
 igr2= 854, 855,
 &end
#
#  50 LYS  QE     54 GLY  QA     4.54             (#peak   747;)
 &rst
  ixpk= 747, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 808, 809,
 igr2= 854, 855,
 &end
#
#  51 CYZN  HA     73 LEU  QQD    5.96             (#peak  2319;)
 &rst
  ixpk= 2319, nxpk= 0, iat= 819,  -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53,
 igr2=1151,1152,1153,1155,1156,1157,
 &end
#
#  52 PRO  HA     73 LEU  QQD    6.09             (#peak   417;)
 &rst
  ixpk= 417, nxpk= 0, iat= 838,  -1, r1= 1.30, r2= 1.80, r3= 8.21, r4= 8.71,
 igr2=1151,1152,1153,1155,1156,1157,
 &end
#
#  52 PRO  QB     53 CYZN  H      4.29             (#peak   538;)
 &rst
  ixpk= 538, nxpk= 0, iat=  -1, 842, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1= 835, 836,
 &end
#
#  52 PRO  QB     54 GLY  H      5.98             (#peak   259;)
 &rst
  ixpk= 259, nxpk= 0, iat=  -1, 852, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr1= 835, 836,
 &end
#
#  52 PRO  QB     73 LEU  QQD    4.44             (#peak  1482;)
 &rst
  ixpk= 1482, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
 igr1= 835, 836,
 igr2=1151,1152,1153,1155,1156,1157,
 &end
#
#  52 PRO  HG2    73 LEU  QQD    4.52             (#peak  1721;)
 &rst
  ixpk= 1721, nxpk= 0, iat= 832,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2=1151,1152,1153,1155,1156,1157,
 &end
#
#  52 PRO  HG3    73 LEU  QQD    4.10             (#peak  1722;)
 &rst
  ixpk= 1722, nxpk= 0, iat= 833,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2=1151,1152,1153,1155,1156,1157,
 &end
#
#  52 PRO  HD2    73 LEU  QQD    4.37             (#peak  2289;)
 &rst
  ixpk= 2289, nxpk= 0, iat= 829,  -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr2=1151,1152,1153,1155,1156,1157,
 &end
#
#  52 PRO  HD3    73 LEU  QQD    5.04             (#peak  1944;)
 &rst
  ixpk= 1944, nxpk= 0, iat= 830,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=1151,1152,1153,1155,1156,1157,
 &end
#
#  53 CYZN  H      53 CYZN  QB     3.55             (#peak   535;)
 &rst
  ixpk= 535, nxpk= 0, iat= 842,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 847, 846,
 &end
#
#  53 CYZN  H      54 GLY  QA     5.36             (#peak  1072;)
 &rst
  ixpk= 1072, nxpk= 0, iat= 842,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2= 854, 855,
 &end
#
#  53 CYZN  H      73 LEU  QQD    4.59             (#peak  2290;)
 &rst
  ixpk= 2290, nxpk= 0, iat= 842,  -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
 igr2=1151,1152,1153,1155,1156,1157,
 &end
#
#  53 CYZN  HA     53 CYZN  QB     2.96             (#peak  2596;)
 &rst
  ixpk= 2596, nxpk= 0, iat= 844,  -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
 igr2= 847, 846,
 &end
#
#  53 CYZN  QB     55 ASN  H      5.19             (#peak   271;)
 &rst
  ixpk= 271, nxpk= 0, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 847, 846,
 &end
#
#  53 CYZN  QB     71 CYZN  H      5.98             (#peak   416;)
 &rst
  ixpk= 416, nxpk= 0, iat=  -1,1125, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr1= 847, 846,
 &end
#
#  53 CYZN  QB     71 CYZN  HA     5.98             (#peak  1266;)
 &rst
  ixpk= 1266, nxpk= 0, iat=  -1,1127, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr1= 847, 846,
 &end
#
#  53 CYZN  QB     71 CYZN  HB2    5.24             (#peak  1446;)
 &rst
  ixpk= 1446, nxpk= 0, iat=  -1,1130, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 847, 846,
 &end
#
#  53 CYZN  QB     73 LEU  QQD    5.19             (#peak  2285;)
 &rst
  ixpk= 2285, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 847, 846,
 igr2=1151,1152,1153,1155,1156,1157,
 &end
#
#  54 GLY  QA     56 ARG  HG2    5.98             (#peak   748;)
 &rst
  ixpk= 748, nxpk= 0, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr1= 854, 855,
 &end
#
#  55 ASN  HD22   69 SER  QB     5.57             (#peak   916;)
 &rst
  ixpk= 916, nxpk= 0, iat= 869,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr2=1104,1105,
 &end
#
#  57 THR  QG2    63 LEU  QQD    5.31             (#peak  2005;)
 &rst
  ixpk= 2005, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.60, r4= 9.10,
 igr1= 903, 904, 905,
 igr2=1005,1006,1007,1009,1010,1011,
 &end
#
#  58 ILE  H      58 ILE  QG1    3.92             (#peak  1078;)
 &rst
  ixpk= 1078, nxpk= 0, iat= 911,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 921, 922,
 &end
#
#  58 ILE  HA     58 ILE  QG1    4.12             (#peak  1285;)
 &rst
  ixpk= 1285, nxpk= 0, iat= 913,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 921, 922,
 &end
#
#  58 ILE  QG2    60 LEU  QQD    4.83             (#peak  2609;)
 &rst
  ixpk= 2609, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
 igr1= 917, 918, 919,
 igr2= 950, 951, 952, 954, 955, 956,
 &end
#
#  58 ILE  QG1    59 SER  H      4.96             (#peak   305;)
 &rst
  ixpk= 305, nxpk= 0, iat=  -1, 930, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 921, 922,
 &end
#
#  60 LEU  H      61 ASP  QB     5.11             (#peak   606;)
 &rst
  ixpk= 606, nxpk= 0, iat= 941,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2= 964, 965,
 &end
#
#  60 LEU  HA     60 LEU  QQD    3.21             (#peak  1148;)
 &rst
  ixpk= 1148, nxpk= 0, iat= 943,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2= 950, 951, 952, 954, 955, 956,
 &end
#
#  60 LEU  HB2    60 LEU  QQD    3.42             (#peak  1977;)
 &rst
  ixpk= 1977, nxpk= 0, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2= 950, 951, 952, 954, 955, 956,
 &end
#
#  60 LEU  HB3    60 LEU  QQD    3.14             (#peak  1139;)
 &rst
  ixpk= 1139, nxpk= 0, iat= 946,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 950, 951, 952, 954, 955, 956,
 &end
#
#  60 LEU  QQD    61 ASP  H      4.97             (#peak  1162;)
 &rst
  ixpk= 1162, nxpk= 0, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr1= 950, 951, 952, 954, 955, 956,
 &end
#
#  61 ASP  H      61 ASP  QB     3.36             (#peak   578;)
 &rst
  ixpk= 578, nxpk= 0, iat= 960,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 964, 965,
 &end
#
#  61 ASP  QB     62 ARG  H      3.12             (#peak   594;)
 &rst
  ixpk= 594, nxpk= 0, iat=  -1, 972, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 964, 965,
 &end
#
#  61 ASP  QB     62 ARG  HA     5.26             (#peak  2096;)
 &rst
  ixpk= 2096, nxpk= 0, iat=  -1, 974, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 964, 965,
 &end
#
#  61 ASP  QB     62 ARG  QB     5.28             (#peak  1845;)
 &rst
  ixpk= 1845, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
 igr1= 964, 965,
 igr2= 976, 977,
 &end
#
#  61 ASP  QB     63 LEU  H      3.45             (#peak   328;)
 &rst
  ixpk= 328, nxpk= 0, iat=  -1, 996, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr1= 964, 965,
 &end
#
#  61 ASP  QB     63 LEU  HA     5.72             (#peak   632;)
 &rst
  ixpk= 632, nxpk= 0, iat=  -1, 998, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
 igr1= 964, 965,
 &end
#
#  61 ASP  QB     63 LEU  QB     5.29             (#peak  1846;)
 &rst
  ixpk= 1846, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
 igr1= 964, 965,
 igr2=1000,1001,
 &end
#
#  61 ASP  QB     64 PRO  HA     5.36             (#peak  1840;)
 &rst
  ixpk= 1840, nxpk= 0, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1= 964, 965,
 &end
#
#  62 ARG  QD     63 LEU  QQD    5.08             (#peak  1919;)
 &rst
  ixpk= 1919, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr1= 982, 983,
 igr2=1005,1006,1007,1009,1010,1011,
 &end
#
#  63 LEU  H      63 LEU  QQD    4.48             (#peak   334;)
 &rst
  ixpk= 334, nxpk= 0, iat= 996,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr2=1005,1006,1007,1009,1010,1011,
 &end
#
#  63 LEU  HA     63 LEU  QQD    3.35             (#peak  1897;)
 &rst
  ixpk= 1897, nxpk= 0, iat= 998,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2=1005,1006,1007,1009,1010,1011,
 &end
#
#  63 LEU  QB     63 LEU  QQD    2.88             (#peak  1626;)
 &rst
  ixpk= 1626, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1=1000,1001,
 igr2=1005,1006,1007,1009,1010,1011,
 &end
#
#  63 LEU  QQD    64 PRO  HG2    5.70             (#peak  1919;)
 &rst
  ixpk= 1919, nxpk= 0, iat=  -1,1019, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18,
 igr1=1005,1006,1007,1009,1010,1011,
 &end
#
#  63 LEU  QQD    64 PRO  HD2    3.66             (#peak  1749;)
 &rst
  ixpk= 1749, nxpk= 0, iat=  -1,1016, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1=1005,1006,1007,1009,1010,1011,
 &end
#
#  63 LEU  QQD    64 PRO  HD3    4.26             (#peak  1768;)
 &rst
  ixpk= 1768, nxpk= 0, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1=1005,1006,1007,1009,1010,1011,
 &end
#
#  63 LEU  QQD    65 LYS  HA     6.09             (#peak  2201;)
 &rst
  ixpk= 2201, nxpk= 0, iat=  -1,1031, r1= 1.30, r2= 1.80, r3= 8.21, r4= 8.71,
 igr1=1005,1006,1007,1009,1010,1011,
 &end
#
#  63 LEU  QQD    74 PHE  QD     6.09             (#peak   972;)
 &rst
  ixpk= 972, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.21, r4= 9.71,
 igr1=1005,1006,1007,1009,1010,1011,
 igr2=1169,1177,
 &end
#
#  63 LEU  QQD    74 PHE  QE     4.10             (#peak   988;)
 &rst
  ixpk= 988, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1=1005,1006,1007,1009,1010,1011,
 igr2=1171,1175,
 &end
#
#  63 LEU  QQD    74 PHE  HZ     4.05             (#peak   986;)
 &rst
  ixpk= 986, nxpk= 0, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1=1005,1006,1007,1009,1010,1011,
 &end
#
#  63 LEU  QQD    76 TRP  H      4.45             (#peak  1623;)
 &rst
  ixpk= 1623, nxpk= 0, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1005,1006,1007,1009,1010,1011,
 &end
#
#  63 LEU  QQD    76 TRP  HA     5.61             (#peak  1634;)
 &rst
  ixpk= 1634, nxpk= 0, iat=  -1,1205, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1005,1006,1007,1009,1010,1011,
 &end
#
#  63 LEU  QQD    76 TRP  HB3    4.64             (#peak  1418;)
 &rst
  ixpk= 1418, nxpk= 0, iat=  -1,1208, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=1005,1006,1007,1009,1010,1011,
 &end
#
#  63 LEU  QQD    76 TRP  HD1    4.07             (#peak   974;)
 &rst
  ixpk= 974, nxpk= 0, iat=  -1,1211, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1=1005,1006,1007,1009,1010,1011,
 &end
#
#  63 LEU  QQD    78 ARG  HB2    5.43             (#peak  1632;)
 &rst
  ixpk= 1632, nxpk= 0, iat=  -1,1246, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
 igr1=1005,1006,1007,1009,1010,1011,
 &end
#
#  64 PRO  HA     65 LYS  QG     5.95             (#peak   457;)
 &rst
  ixpk= 457, nxpk= 0, iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
 igr2=1036,1037,
 &end
#
#  65 LYS  H      65 LYS  QG     3.85             (#peak   872;)
 &rst
  ixpk= 872, nxpk= 0, iat=1029,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2=1036,1037,
 &end
#
#  65 LYS  H      65 LYS  QD     3.57             (#peak   779;)
 &rst
  ixpk= 779, nxpk= 0, iat=1029,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2=1039,1040,
 &end
#
#  65 LYS  HA     65 LYS  QG     3.88             (#peak  2707;)
 &rst
  ixpk= 2707, nxpk= 0, iat=1031,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2=1036,1037,
 &end
#
#  65 LYS  QG     65 LYS  QE     3.84             (#peak  1377;)
 &rst
  ixpk= 1377, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1=1036,1037,
 igr2=1042,1043,
 &end
#
#  65 LYS  QG     66 LYS  H      3.94             (#peak   904;)
 &rst
  ixpk= 904, nxpk= 0, iat=  -1,1051, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1=1036,1037,
 &end
#
#  65 LYS  QG     66 LYS  HA     4.94             (#peak   641;)
 &rst
  ixpk= 641, nxpk= 0, iat=  -1,1053, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1=1036,1037,
 &end
#
#  65 LYS  QG     66 LYS  HB3    4.61             (#peak   893;)
 &rst
  ixpk= 893, nxpk= 0, iat=  -1,1056, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1=1036,1037,
 &end
#
#  65 LYS  QD     66 LYS  H      4.77             (#peak   903;)
 &rst
  ixpk= 903, nxpk= 0, iat=  -1,1051, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1=1039,1040,
 &end
#
#  65 LYS  QD     66 LYS  HA     4.86             (#peak   644;)
 &rst
  ixpk= 644, nxpk= 0, iat=  -1,1053, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1=1039,1040,
 &end
#
#  67 HIS  HA     74 PHE  QB     4.46             (#peak   511;)
 &rst
  ixpk= 511, nxpk= 0, iat=1075,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2=1165,1166,
 &end
#
#  67 HIS  HD2    74 PHE  QB     4.00             (#peak   860;)
 &rst
  ixpk= 860, nxpk= 0, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1165,1166,
 &end
#
#  68 CYZN  H      73 LEU  QB     5.98             (#peak   347;)
 &rst
  ixpk= 347, nxpk= 0, iat=1090,  -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr2=1146,1147,
 &end
#
#  68 CYZN  H      73 LEU  QQD    6.09             (#peak  1203;)
 &rst
  ixpk= 1203, nxpk= 0, iat=1090,  -1, r1= 1.30, r2= 1.80, r3= 8.21, r4= 8.71,
 igr2=1151,1152,1153,1155,1156,1157,
 &end
#
#  68 CYZN  H      74 PHE  QB     5.43             (#peak   348;)
 &rst
  ixpk= 348, nxpk= 0, iat=1090,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2=1165,1166,
 &end
#
#  68 CYZN  HA     69 SER  QB     5.17             (#peak   474;)
 &rst
  ixpk= 474, nxpk= 0, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=1104,1105,
 &end
#
#  68 CYZN  HB2    73 LEU  QB     5.98             (#peak  2030;)
 &rst
  ixpk= 2030, nxpk= 0, iat=1095,  -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr2=1146,1147,
 &end
#
#  68 CYZN  HB3    73 LEU  QB     5.43             (#peak  2031;)
 &rst
  ixpk= 2031, nxpk= 0, iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2=1146,1147,
 &end
#
#  68 CYZN  HB3    73 LEU  QQD    5.77             (#peak  2285;)
 &rst
  ixpk= 2285, nxpk= 0, iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr2=1151,1152,1153,1155,1156,1157,
 &end
#
#  69 SER  H      69 SER  QB     3.60             (#peak   355;)
 &rst
  ixpk= 355, nxpk= 0, iat=1100,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1104,1105,
 &end
#
#  71 CYZN  HA     73 LEU  QQD    6.07             (#peak  1268;)
 &rst
  ixpk= 1268, nxpk= 0, iat=1127,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr2=1151,1152,1153,1155,1156,1157,
 &end
#
#  71 CYZN  HB2    73 LEU  QQD    5.14             (#peak  1453;)
 &rst
  ixpk= 1453, nxpk= 0, iat=1130,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=1151,1152,1153,1155,1156,1157,
 &end
#
#  71 CYZN  HB3    73 LEU  QQD    5.31             (#peak  1455;)
 &rst
  ixpk= 1455, nxpk= 0, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr2=1151,1152,1153,1155,1156,1157,
 &end
#
#  72 GLY  H      73 LEU  QB     5.29             (#peak  1094;)
 &rst
  ixpk= 1094, nxpk= 0, iat=1135,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2=1146,1147,
 &end
#
#  72 GLY  H      73 LEU  QQD    5.08             (#peak   384;)
 &rst
  ixpk= 384, nxpk= 0, iat=1135,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr2=1151,1152,1153,1155,1156,1157,
 &end
#
#  72 GLY  HA3    73 LEU  QQD    6.09             (#peak   706;)
 &rst
  ixpk= 706, nxpk= 0, iat=1138,  -1, r1= 1.30, r2= 1.80, r3= 8.21, r4= 8.71,
 igr2=1151,1152,1153,1155,1156,1157,
 &end
#
#  73 LEU  H      73 LEU  QB     3.36             (#peak  1099;)
 &rst
  ixpk= 1099, nxpk= 0, iat=1142,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1146,1147,
 &end
#
#  73 LEU  HA     73 LEU  QQD    4.64             (#peak  2288;)
 &rst
  ixpk= 2288, nxpk= 0, iat=1144,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr2=1151,1152,1153,1155,1156,1157,
 &end
#
#  73 LEU  QB     73 LEU  QQD    2.96             (#peak  2291;)
 &rst
  ixpk= 2291, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=1146,1147,
 igr2=1151,1152,1153,1155,1156,1157,
 &end
#
#  73 LEU  QB     74 PHE  H      3.58             (#peak  1100;)
 &rst
  ixpk= 1100, nxpk= 0, iat=  -1,1161, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr1=1146,1147,
 &end
#
#  73 LEU  QB     75 LYS  H      5.91             (#peak  1109;)
 &rst
  ixpk= 1109, nxpk= 0, iat=  -1,1181, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr1=1146,1147,
 &end
#
#  73 LEU  QB     75 LYS  HG2    4.66             (#peak   785;)
 &rst
  ixpk= 785, nxpk= 0, iat=  -1,1188, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1=1146,1147,
 &end
#
#  73 LEU  QQD    74 PHE  H      3.76             (#peak  1228;)
 &rst
  ixpk= 1228, nxpk= 0, iat=  -1,1161, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1=1151,1152,1153,1155,1156,1157,
 &end
#
#  73 LEU  QQD    75 LYS  H      3.89             (#peak  1025;)
 &rst
  ixpk= 1025, nxpk= 0, iat=  -1,1181, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1=1151,1152,1153,1155,1156,1157,
 &end
#
#  73 LEU  QQD    75 LYS  HB2    4.66             (#peak  1397;)
 &rst
  ixpk= 1397, nxpk= 0, iat=  -1,1185, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1=1151,1152,1153,1155,1156,1157,
 &end
#
#  73 LEU  QQD    75 LYS  HB3    5.68             (#peak  1396;)
 &rst
  ixpk= 1396, nxpk= 0, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 7.66, r4= 8.16,
 igr1=1151,1152,1153,1155,1156,1157,
 &end
#
#  73 LEU  QQD    75 LYS  QD     4.04             (#peak   271;)
 &rst
  ixpk= 271, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1=1151,1152,1153,1155,1156,1157,
 igr2=1191,1192,
 &end
#
#  73 LEU  QQD    75 LYS  QE     4.36             (#peak   272;)
 &rst
  ixpk= 272, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1=1151,1152,1153,1155,1156,1157,
 igr2=1194,1195,
 &end
#
#  73 LEU  QQD    76 TRP  H      5.34             (#peak  1037;)
 &rst
  ixpk= 1037, nxpk= 0, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1=1151,1152,1153,1155,1156,1157,
 &end
#
#  74 PHE  H      74 PHE  QB     3.49             (#peak   618;)
 &rst
  ixpk= 618, nxpk= 0, iat=1161,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2=1165,1166,
 &end
#
#  74 PHE  QB     75 LYS  H      4.56             (#peak   400;)
 &rst
  ixpk= 400, nxpk= 0, iat=  -1,1181, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1=1165,1166,
 &end
#
#  77 GLU  HA     77 GLU  QG     3.73             (#peak  2329;)
 &rst
  ixpk= 2329, nxpk= 0, iat=1229,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2=1234,1235,
 &end
#
#  77 GLU  QG     79 VAL  HA     5.05             (#peak  2330;)
 &rst
  ixpk= 2330, nxpk= 0, iat=  -1,1268, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1234,1235,
 &end
#
#  77 GLU  QG     79 VAL  QG1    4.42             (#peak  1931;)
 &rst
  ixpk= 1931, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1=1234,1235,
 igr2=1272,1273,1274,
 &end
#
#  78 ARG  H      78 ARG  QD     4.84             (#peak   449;)
 &rst
  ixpk= 449, nxpk= 0, iat=1242,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2=1252,1253,
 &end
#
#  78 ARG  HA     78 ARG  QD     3.94             (#peak  2279;)
 &rst
  ixpk= 2279, nxpk= 0, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2=1252,1253,
 &end
#
#  78 ARG  HB3    78 ARG  QD     3.96             (#peak  1937;)
 &rst
  ixpk= 1937, nxpk= 0, iat=1247,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2=1252,1253,
 &end
#
#  78 ARG  QD     79 VAL  H      4.76             (#peak  1123;)
 &rst
  ixpk= 1123, nxpk= 0, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1252,1253,
 &end
#
#  79 VAL  HA     80 GLY  QA     5.13             (#peak  2163;)
 &rst
  ixpk= 2163, nxpk= 0, iat=1268,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2=1284,1285,
 &end
#
#  79 VAL  QG2    80 GLY  QA     5.38             (#peak   127;)
 &rst
  ixpk= 127, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
 igr1=1276,1277,1278,
 igr2=1284,1285,
 &end
#
#  80 GLY  H      81 MET  QB     5.98             (#peak   645;)
 &rst
  ixpk= 645, nxpk= 0, iat=1282,  -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr2=1293,1294,
 &end
#
#  80 GLY  QA     81 MET  H      3.25             (#peak   657;)
 &rst
  ixpk= 657, nxpk= 0, iat=  -1,1289, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr1=1284,1285,
 &end
#
#  80 GLY  QA     82 LEU  QQD    5.31             (#peak   724;)
 &rst
  ixpk= 724, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53,
 igr1=1284,1285,
 igr2=1315,1316,1317,1319,1320,1321,
 &end
#
#  81 MET  H      81 MET  QB     3.84             (#peak  1407;)
 &rst
  ixpk= 1407, nxpk= 0, iat=1289,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2=1293,1294,
 &end
#
#  81 MET  QB     82 LEU  H      3.84             (#peak  1117;)
 &rst
  ixpk= 1117, nxpk= 0, iat=  -1,1306, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1=1293,1294,
 &end
#
#  84 GLU  H      84 GLU  QB     3.42             (#peak   682;)
 &rst
  ixpk= 682, nxpk= 0, iat=1347,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2=1351,1352,
 &end
#
#  84 GLU  QB     85 LYS  H      4.63             (#peak  1127;)
 &rst
  ixpk= 1127, nxpk= 0, iat=  -1,1362, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1=1351,1352,
 &end
#
#  85 LYS  H      85 LYS  QD     3.74             (#peak   683;)
 &rst
  ixpk= 683, nxpk= 0, iat=1362,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1372,1373,
 &end
#
#  87 GLY  QA     88 PRO  QD     3.00             (#peak  1826;)
 &rst
  ixpk= 1826, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1400,1401,
 igr2=1406,1407,
 &end
#
#  88 PRO  QG     89 LYS  H      5.06             (#peak   743;)
 &rst
  ixpk= 743, nxpk= 0, iat=  -1,1419, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1=1409,1410,
 &end
#
#  90 LEU  H      90 LEU  QB     4.09             (#peak   688;)
 &rst
  ixpk= 688, nxpk= 0, iat=1441,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2=1445,1446,
 &end
# 1473 atoms read from pdb file d20_001.amb.pdb.
# 12 SER PHI:  (11 GLN C)-(12 SER N)-(12 SER CA)-(12 SER C) -135.4 -55.5
 &rst     iat =   166,   168,   170,   177,
   r1 = -136.4, r2 = -135.4, r3 = -55.5, r4 = -54.5,
   rk2 =   2.0, rk3 =   2.0,    &end

# 12 SER PSI:  (12 SER N)-(12 SER CA)-(12 SER C)-(13 CYS N)  84.4 164.4
 &rst     iat =   168,   170,   177,   179,
   r1 =  83.4, r2 =  84.4, r3 = 164.4, r4 = 165.4,
 &end

# 13 CYS PHI:  (12 SER C)-(13 CYS N)-(13 CYS CA)-(13 CYS C) -186.1 -106.2
 &rst     iat =   177,   179,   181,   188,
   r1 = -187.1, r2 = -186.1, r3 = -106.2, r4 = -105.2,
 &end

# 13 CYS PSI:  (13 CYS N)-(13 CYS CA)-(13 CYS C)-(14 ARG N) 114.1 194.1
 &rst     iat =   179,   181,   188,   190,
   r1 = 113.1, r2 = 114.1, r3 = 194.1, r4 = 195.1,
 &end

# 14 ARG PHI:  (13 CYS C)-(14 ARG N)-(14 ARG CA)-(14 ARG C) -160.0 -80.0
 &rst     iat =   188,   190,   192,   212,
   r1 = -161.0, r2 = -160.0, r3 = -80.0, r4 = -79.0,
 &end

# 14 ARG PSI:  (14 ARG N)-(14 ARG CA)-(14 ARG C)-(15 VAL N)  95.0 175.0
 &rst     iat =   190,   192,   212,   214,
   r1 =  94.0, r2 =  95.0, r3 = 175.0, r4 = 176.0,
 &end

# 15 VAL PHI:  (14 ARG C)-(15 VAL N)-(15 VAL CA)-(15 VAL C) -160.2 -80.2
 &rst     iat =   212,   214,   216,   228,
   r1 = -161.2, r2 = -160.2, r3 = -80.2, r4 = -79.2,
 &end

# 15 VAL PSI:  (15 VAL N)-(15 VAL CA)-(15 VAL C)-(16 VAL N) 117.1 197.1
 &rst     iat =   214,   216,   228,   230,
   r1 = 116.1, r2 = 117.1, r3 = 197.1, r4 = 198.1,
 &end

# 16 VAL PHI:  (15 VAL C)-(16 VAL N)-(16 VAL CA)-(16 VAL C) -163.8 -83.8
 &rst     iat =   228,   230,   232,   244,
   r1 = -164.8, r2 = -163.8, r3 = -83.8, r4 = -82.8,
 &end

# 16 VAL PSI:  (16 VAL N)-(16 VAL CA)-(16 VAL C)-(17 THR N)  89.4 169.4
 &rst     iat =   230,   232,   244,   246,
   r1 =  88.4, r2 =  89.4, r3 = 169.4, r4 = 170.4,
 &end

# 17 THR PHI:  (16 VAL C)-(17 THR N)-(17 THR CA)-(17 THR C) -150.4 -70.4
 &rst     iat =   244,   246,   248,   258,
   r1 = -151.4, r2 = -150.4, r3 = -70.4, r4 = -69.4,
 &end

# 17 THR PSI:  (17 THR N)-(17 THR CA)-(17 THR C)-(18 CYM N)  83.3 163.3
 &rst     iat =   246,   248,   258,   260,
   r1 =  82.3, r2 =  83.3, r3 = 163.3, r4 = 164.3,
 &end

# 23 TYR PHI:  (22 LYS C)-(23 TYR N)-(23 TYR CA)-(23 TYR C) -160.0 -80.0
 &rst     iat =   336,   338,   340,   357,
   r1 = -161.0, r2 = -160.0, r3 = -80.0, r4 = -79.0,
 &end

# 23 TYR PSI:  (23 TYR N)-(23 TYR CA)-(23 TYR C)-(24 THR N)  95.0 175.0
 &rst     iat =   338,   340,   357,   359,
   r1 =  94.0, r2 =  95.0, r3 = 175.0, r4 = 176.0,
 &end

# 24 THR PHI:  (23 TYR C)-(24 THR N)-(24 THR CA)-(24 THR C) -154.6 -74.6
 &rst     iat =   357,   359,   361,   371,
   r1 = -155.6, r2 = -154.6, r3 = -74.6, r4 = -73.6,
 &end

# 24 THR PSI:  (24 THR N)-(24 THR CA)-(24 THR C)-(25 HID N)  75.4 155.4
 &rst     iat =   359,   361,   371,   373,
   r1 =  74.4, r2 =  75.4, r3 = 155.4, r4 = 156.4,
 &end

# 25 HIS PHI:  (24 THR C)-(25 HID N)-(25 HID CA)-(25 HID C) -157.6 -77.6
 &rst     iat =   371,   373,   375,   388,
   r1 = -158.6, r2 = -157.6, r3 = -77.6, r4 = -76.6,
 &end

# 25 HIS PSI:  (25 HID N)-(25 HID CA)-(25 HID C)-(26 PHE N) 122.4 202.4
 &rst     iat =   373,   375,   388,   390,
   r1 = 121.4, r2 = 122.4, r3 = 202.4, r4 = 203.4,
 &end

# 26 PHE PHI:  (25 HID C)-(26 PHE N)-(26 PHE CA)-(26 PHE C) -109.9 -29.9
 &rst     iat =   388,   390,   392,   408,
   r1 = -110.9, r2 = -109.9, r3 = -29.9, r4 = -28.9,
 &end

# 26 PHE PSI:  (26 PHE N)-(26 PHE CA)-(26 PHE C)-(27 LYS N) -57.7  22.3
 &rst     iat =   390,   392,   408,   410,
   r1 = -58.7, r2 = -57.7, r3 =  22.3, r4 =  23.3,
 &end

# 30 GLU PHI:  (29 LYS C)-(30 GLU N)-(30 GLU CA)-(30 GLU C) -97.7 -17.7
 &rst     iat =   466,   468,   470,   481,
   r1 = -98.7, r2 = -97.7, r3 = -17.7, r4 = -16.7,
 &end

# 30 GLU PSI:  (30 GLU N)-(30 GLU CA)-(30 GLU C)-(31 THR N) -71.8   8.1
 &rst     iat =   468,   470,   481,   483,
   r1 = -72.8, r2 = -71.8, r3 =   8.1, r4 =   9.1,
 &end

# 31 THR PHI:  (30 GLU C)-(31 THR N)-(31 THR CA)-(31 THR C) -110.3 -30.3
 &rst     iat =   481,   483,   485,   495,
   r1 = -111.3, r2 = -110.3, r3 = -30.3, r4 = -29.3,
 &end

# 31 THR PSI:  (31 THR N)-(31 THR CA)-(31 THR C)-(32 CYM N) -52.4  27.6
 &rst     iat =   483,   485,   495,   497,
   r1 = -53.4, r2 = -52.4, r3 =  27.6, r4 =  28.6,
 &end

# 33 VAL PHI:  (32 CYM C)-(33 VAL N)-(33 VAL CA)-(33 VAL C) -104.8 -24.8
 &rst     iat =   505,   507,   509,   521,
   r1 = -105.8, r2 = -104.8, r3 = -24.8, r4 = -23.8,
 &end

# 33 VAL PSI:  (33 VAL N)-(33 VAL CA)-(33 VAL C)-(34 SER N) -70.2   9.8
 &rst     iat =   507,   509,   521,   523,
   r1 = -71.2, r2 = -70.2, r3 =   9.8, r4 =  10.8,
 &end

# 34 SER PHI:  (33 VAL C)-(34 SER N)-(34 SER CA)-(34 SER C) -109.0 -29.0
 &rst     iat =   521,   523,   525,   532,
   r1 = -110.0, r2 = -109.0, r3 = -29.0, r4 = -28.0,
 &end

# 34 SER PSI:  (34 SER N)-(34 SER CA)-(34 SER C)-(35 GLU N) -70.0  10.0
 &rst     iat =   523,   525,   532,   534,
   r1 = -71.0, r2 = -70.0, r3 =  10.0, r4 =  11.0,
 &end

# 35 GLU PHI:  (34 SER C)-(35 GLU N)-(35 GLU CA)-(35 GLU C) -125.4 -45.5
 &rst     iat =   532,   534,   536,   547,
   r1 = -126.4, r2 = -125.4, r3 = -45.5, r4 = -44.5,
 &end

# 35 GLU PSI:  (35 GLU N)-(35 GLU CA)-(35 GLU C)-(36 ASN N) -45.5  34.5
 &rst     iat =   534,   536,   547,   549,
   r1 = -46.5, r2 = -45.5, r3 =  34.5, r4 =  35.5,
 &end

# 36 ASN PHI:  (35 GLU C)-(36 ASN N)-(36 ASN CA)-(36 ASN C)  15.9  95.9
 &rst     iat =   547,   549,   551,   561,
   r1 =  14.9, r2 =  15.9, r3 =  95.9, r4 =  96.9,
 &end

# 36 ASN PSI:  (36 ASN N)-(36 ASN CA)-(36 ASN C)-(37 HIZ N)   2.4  82.4
 &rst     iat =   549,   551,   561,   563,
   r1 =   1.4, r2 =   2.4, r3 =  82.4, r4 =  83.4,
 &end

# 40 HIS PHI:  (39 PHE C)-(40 HID N)-(40 HID CA)-(40 HID C) -146.4 -66.4
 &rst     iat =   611,   613,   615,   628,
   r1 = -147.4, r2 = -146.4, r3 = -66.4, r4 = -65.4,
 &end

# 40 HIS PSI:  (40 HID N)-(40 HID CA)-(40 HID C)-(41 TRP N)  83.1 163.1
 &rst     iat =   613,   615,   628,   630,
   r1 =  82.1, r2 =  83.1, r3 = 163.1, r4 = 164.1,
 &end

# 41 TRP PHI:  (40 HID C)-(41 TRP N)-(41 TRP CA)-(41 TRP C) -140.3 -60.3
 &rst     iat =   628,   630,   632,   652,
   r1 = -141.3, r2 = -140.3, r3 = -60.3, r4 = -59.3,
 &end

# 41 TRP PSI:  (41 TRP N)-(41 TRP CA)-(41 TRP C)-(42 HID N)  93.0 173.0
 &rst     iat =   630,   632,   652,   654,
   r1 =  92.0, r2 =  93.0, r3 = 173.0, r4 = 174.0,
 &end

# 43 ASN PHI:  (42 HID C)-(43 ASN N)-(43 ASN CA)-(43 ASN C) -160.0 -80.0
 &rst     iat =   669,   671,   673,   683,
   r1 = -161.0, r2 = -160.0, r3 = -80.0, r4 = -79.0,
 &end

# 43 ASN PSI:  (43 ASN N)-(43 ASN CA)-(43 ASN C)-(44 GLY N)  95.0 175.0
 &rst     iat =   671,   673,   683,   685,
   r1 =  94.0, r2 =  95.0, r3 = 175.0, r4 = 176.0,
 &end

# 42 HIS PHI:  (41 TRP C)-(42 HID N)-(42 HID CA)-(42 HID C) -172.8 -92.8
 &rst     iat =   652,   654,   656,   669,
   r1 = -173.8, r2 = -172.8, r3 = -92.8, r4 = -91.8,
 &end

# 42 HIS PSI:  (42 HID N)-(42 HID CA)-(42 HID C)-(43 ASN N) 112.1 192.1
 &rst     iat =   654,   656,   669,   671,
   r1 = 111.1, r2 = 112.1, r3 = 192.1, r4 = 193.1,
 &end

# 47 ARG PHI:  (46 LYS C)-(47 ARG N)-(47 ARG CA)-(47 ARG C) -163.0 -83.0
 &rst     iat =   728,   730,   732,   752,
   r1 = -164.0, r2 = -163.0, r3 = -83.0, r4 = -82.0,
 &end

# 47 ARG PSI:  (47 ARG N)-(47 ARG CA)-(47 ARG C)-(48 PHE N) 108.2 188.1
 &rst     iat =   730,   732,   752,   754,
   r1 = 107.2, r2 = 108.2, r3 = 188.1, r4 = 189.1,
 &end

# 49 PHE PHI:  (48 PHE C)-(49 PHE N)-(49 PHE CA)-(49 PHE C) -177.0 -97.0
 &rst     iat =   772,   774,   776,   792,
   r1 = -178.0, r2 = -177.0, r3 = -97.0, r4 = -96.0,
 &end

# 49 PHE PSI:  (49 PHE N)-(49 PHE CA)-(49 PHE C)-(50 LYS N) 118.5 198.5
 &rst     iat =   774,   776,   792,   794,
   r1 = 117.5, r2 = 118.5, r3 = 198.5, r4 = 199.5,
 &end

# 50 LYS PHI:  (49 PHE C)-(50 LYS N)-(50 LYS CA)-(50 LYS C) -153.6 -73.6
 &rst     iat =   792,   794,   796,   814,
   r1 = -154.6, r2 = -153.6, r3 = -73.6, r4 = -72.6,
 &end

# 50 LYS PSI:  (50 LYS N)-(50 LYS CA)-(50 LYS C)-(51 CYZ N)  76.7 156.7
 &rst     iat =   794,   796,   814,   816,
   r1 =  75.7, r2 =  76.7, r3 = 156.7, r4 = 157.7,
 &end

# 56 ARG PHI:  (55 ASN C)-(56 ARG N)-(56 ARG CA)-(56 ARG C) -162.7 -82.7
 &rst     iat =   870,   872,   874,   894,
   r1 = -163.7, r2 = -162.7, r3 = -82.7, r4 = -81.7,
 &end

# 56 ARG PSI:  (56 ARG N)-(56 ARG CA)-(56 ARG C)-(57 THR N) 109.8 189.8
 &rst     iat =   872,   874,   894,   896,
   r1 = 108.8, r2 = 109.8, r3 = 189.8, r4 = 190.8,
 &end

# 57 THR PHI:  (56 ARG C)-(57 THR N)-(57 THR CA)-(57 THR C) -172.9 -92.8
 &rst     iat =   894,   896,   898,   908,
   r1 = -173.9, r2 = -172.9, r3 = -92.8, r4 = -91.8,
 &end

# 57 THR PSI:  (57 THR N)-(57 THR CA)-(57 THR C)-(58 ILE N) 107.7 187.7
 &rst     iat =   896,   898,   908,   910,
   r1 = 106.7, r2 = 107.7, r3 = 187.7, r4 = 188.7,
 &end

# 58 ILE PHI:  (57 THR C)-(58 ILE N)-(58 ILE CA)-(58 ILE C) -159.2 -79.2
 &rst     iat =   908,   910,   912,   927,
   r1 = -160.2, r2 = -159.2, r3 = -79.2, r4 = -78.2,
 &end

# 58 ILE PSI:  (58 ILE N)-(58 ILE CA)-(58 ILE C)-(59 SER N) 112.4 192.4
 &rst     iat =   910,   912,   927,   929,
   r1 = 111.4, r2 = 112.4, r3 = 192.4, r4 = 193.4,
 &end

# 77 GLU PHI:  (76 TRP C)-(77 GLU N)-(77 GLU CA)-(77 GLU C) -146.0 -66.0
 &rst     iat =  1224,  1226,  1228,  1239,
   r1 = -147.0, r2 = -146.0, r3 = -66.0, r4 = -65.0,
 &end

# 77 GLU PSI:  (77 GLU N)-(77 GLU CA)-(77 GLU C)-(78 ARG N)  89.0 169.0
 &rst     iat =  1226,  1228,  1239,  1241,
   r1 =  88.0, r2 =  89.0, r3 = 169.0, r4 = 170.0,
 &end

# 78 ARG PHI:  (77 GLU C)-(78 ARG N)-(78 ARG CA)-(78 ARG C) -128.0 -48.0
 &rst     iat =  1239,  1241,  1243,  1263,
   r1 = -129.0, r2 = -128.0, r3 = -48.0, r4 = -47.0,
 &end

# 78 ARG PSI:  (78 ARG N)-(78 ARG CA)-(78 ARG C)-(79 VAL N)  76.0 156.0
 &rst     iat =  1241,  1243,  1263,  1265,
   r1 =  75.0, r2 =  76.0, r3 = 156.0, r4 = 157.0,
 &end


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY  -4           H1       GLY  -4  20.074   4.804   7.188
    2    H2   GLY  -4           H2       GLY  -4  21.631   4.401   6.893
    3    H3   GLY  -4           H3       GLY  -4  20.880   3.866   8.251
    4    HA2  GLY  -4           HA2      GLY  -4  21.070   2.071   6.673
    5    HA3  GLY  -4           HA3      GLY  -4  19.382   2.501   6.985
    6    HA   PRO  -3           HA       PRO  -3  20.517   2.886   2.359
    7    HB2  PRO  -3           HB2      PRO  -3  19.720   0.491   1.330
    8    HB3  PRO  -3           HB3      PRO  -3  21.326   0.725   2.078
    9    HG2  PRO  -3           HG2      PRO  -3  18.832  -0.439   3.371
   10    HG3  PRO  -3           HG3      PRO  -3  20.488  -1.105   3.360
   11    HD2  PRO  -3           HD2      PRO  -3  19.519   0.378   5.449
   12    HD3  PRO  -3           HD3      PRO  -3  21.228   0.472   4.943
   13    H    MET  -2           H        MET  -2  19.014   3.149   0.612
   14    HA   MET  -2           HA       MET  -2  16.278   3.783   1.419
   15    HB2  MET  -2           HB2      MET  -2  16.030   4.717  -0.787
   16    HB3  MET  -2           HB3      MET  -2  17.557   5.250  -0.089
   17    HG2  MET  -2           HG2      MET  -2  18.760   3.542  -1.434
   18    HG3  MET  -2           HG3      MET  -2  17.235   3.030  -2.157
   19    HE1  MET  -2           HE1      MET  -2  18.229   3.272  -4.550
   20    HE2  MET  -2           HE2      MET  -2  19.021   4.731  -5.151
   21    HE3  MET  -2           HE3      MET  -2  19.782   3.790  -3.860
   22    H    GLY  -1           H        GLY  -1  14.420   3.158  -0.019
   23    HA2  GLY  -1           HA2      GLY  -1  13.173   1.605  -1.290
   24    HA3  GLY  -1           HA3      GLY  -1  14.532   0.473  -1.230
   25    H    MET 755           H        MET 755  12.454  -1.275   1.167
   26    HA   MET 755           HA       MET 755  14.455  -1.664  -0.868
   27    HB2  MET 755           HB2      MET 755  12.143  -3.406   0.065
   28    HB3  MET 755           HB3      MET 755  13.415  -3.929  -1.043
   29    HG2  MET 755           HG2      MET 755  15.129  -3.450   0.672
   30    HG3  MET 755           HG3      MET 755  13.874  -2.950   1.795
   31    HE1  MET 755           HE1      MET 755  14.874  -4.567   3.606
   32    HE2  MET 755           HE2      MET 755  15.216  -6.290   3.326
   33    HE3  MET 755           HE3      MET 755  16.126  -5.040   2.444
   34    H    GLN 756           H        GLN 756  14.275  -2.170  -3.039
   35    HA   GLN 756           HA       GLN 756  12.048  -0.849  -4.479
   36    HB2  GLN 756           HB2      GLN 756  14.656  -2.091  -5.462
   37    HB3  GLN 756           HB3      GLN 756  13.544  -1.141  -6.436
   38    HG2  GLN 756           HG2      GLN 756  15.140  -0.082  -4.061
   39    HG3  GLN 756           HG3      GLN 756  15.479   0.194  -5.765
   40   HE21  GLN 756          HE21      GLN 756  13.759   1.454  -7.044
   41   HE22  GLN 756          HE22      GLN 756  12.811   2.629  -6.139
   42    H    SER 757           H        SER 757  12.946  -4.114  -3.628
   43    HA   SER 757           HA       SER 757  11.476  -5.361  -5.862
   44    HB2  SER 757           HB2      SER 757  12.313  -7.460  -4.790
   45    HB3  SER 757           HB3      SER 757  13.580  -6.345  -5.298
   46    HG   SER 757           HG       SER 757  13.948  -7.211  -3.168
   47    H    ILE 758           H        ILE 758   9.930  -7.094  -5.429
   48    HA   ILE 758           HA       ILE 758   8.048  -6.427  -3.203
   49    HB   ILE 758           HB       ILE 758   7.493  -8.017  -5.753
   50   HG12  ILE 758          HG12      ILE 758   5.933  -5.973  -6.199
   51   HG13  ILE 758          HG13      ILE 758   6.957  -5.096  -5.053
   52   HG21  ILE 758          HG21      ILE 758   5.618  -6.914  -3.608
   53   HG22  ILE 758          HG22      ILE 758   5.111  -7.748  -5.098
   54   HG23  ILE 758          HG23      ILE 758   5.991  -8.629  -3.868
   55   HD11  ILE 758          HD11      ILE 758   8.860  -5.301  -6.604
   56   HD12  ILE 758          HD12      ILE 758   7.950  -6.450  -7.615
   57   HD13  ILE 758          HD13      ILE 758   7.464  -4.747  -7.508
   58    H    ARG 759           H        ARG 759   7.281  -8.051  -1.885
   59    HA   ARG 759           HA       ARG 759   9.139  -9.824  -0.833
   60    HB2  ARG 759           HB2      ARG 759   7.412 -10.282   0.807
   61    HB3  ARG 759           HB3      ARG 759   7.391  -8.580   0.368
   62    HG2  ARG 759           HG2      ARG 759   5.508  -9.335  -1.361
   63    HG3  ARG 759           HG3      ARG 759   5.400 -10.748  -0.299
   64    HD2  ARG 759           HD2      ARG 759   5.068  -9.148   1.636
   65    HD3  ARG 759           HD3      ARG 759   5.022  -7.820   0.484
   66    HE   ARG 759           HE       ARG 759   2.921  -9.743   1.079
   67   HH11  ARG 759          HH11      ARG 759   4.055  -7.626  -1.517
   68   HH12  ARG 759          HH12      ARG 759   2.477  -7.528  -2.253
   69   HH21  ARG 759          HH21      ARG 759   0.909  -9.503   0.122
   70   HH22  ARG 759          HH22      ARG 759   0.732  -8.589  -1.343
   71    H    GLU 760           H        GLU 760   8.086 -10.749  -3.646
   72    HA   GLU 760           HA       GLU 760   7.184 -13.511  -3.004
   73    HB2  GLU 760           HB2      GLU 760   7.542 -12.573  -5.810
   74    HB3  GLU 760           HB3      GLU 760   6.391 -13.694  -5.125
   75    HG2  GLU 760           HG2      GLU 760   6.225 -10.668  -4.898
   76    HG3  GLU 760           HG3      GLU 760   5.355 -11.665  -6.043
   77    H    GLN 761           H        GLN 761   8.219 -14.998  -5.015
   78    HA   GLN 761           HA       GLN 761  10.866 -14.283  -5.829
   79    HB2  GLN 761           HB2      GLN 761  12.105 -16.191  -4.920
   80    HB3  GLN 761           HB3      GLN 761  11.515 -15.143  -3.647
   81    HG2  GLN 761           HG2      GLN 761   9.498 -16.829  -3.484
   82    HG3  GLN 761           HG3      GLN 761  10.535 -17.920  -4.418
   83   HE21  GLN 761          HE21      GLN 761  10.502 -15.865  -1.451
   84   HE22  GLN 761          HE22      GLN 761  11.551 -16.928  -0.525
   85    H    SER 762           H        SER 762  11.484 -15.391  -7.700
   86    HA   SER 762           HA       SER 762   9.440 -17.000  -9.023
   87    HB2  SER 762           HB2      SER 762  12.267 -16.424  -9.962
   88    HB3  SER 762           HB3      SER 762  10.901 -16.991 -10.934
   89    HG   SER 762           HG       SER 762  11.288 -14.699 -11.132
   90    H    CYS 763           H        CYS 763   9.541 -19.174  -9.551
   91    HA   CYS 763           HA       CYS 763  11.798 -20.897  -8.782
   92    HB2  CYS 763           HB2      CYS 763  10.401 -20.399  -6.668
   93    HB3  CYS 763           HB3      CYS 763   9.086 -21.287  -7.453
   94    HG   CYS 763           HG       CYS 763  12.183 -22.309  -6.723
   95    H    ARG 764           H        ARG 764  11.454 -23.147  -9.506
   96    HA   ARG 764           HA       ARG 764   9.868 -23.221 -11.962
   97    HB2  ARG 764           HB2      ARG 764  12.186 -24.313 -11.624
   98    HB3  ARG 764           HB3      ARG 764  11.284 -25.656 -10.882
   99    HG2  ARG 764           HG2      ARG 764   9.896 -25.814 -12.973
  100    HG3  ARG 764           HG3      ARG 764  10.774 -24.439 -13.641
  101    HD2  ARG 764           HD2      ARG 764  12.895 -25.808 -13.507
  102    HD3  ARG 764           HD3      ARG 764  11.918 -27.166 -12.948
  103    HE   ARG 764           HE       ARG 764  11.335 -27.598 -15.110
  104   HH11  ARG 764          HH11      ARG 764  12.493 -24.249 -15.116
  105   HH12  ARG 764          HH12      ARG 764  12.369 -24.126 -16.850
  106   HH21  ARG 764          HH21      ARG 764  11.151 -27.341 -17.325
  107   HH22  ARG 764          HH22      ARG 764  11.617 -25.850 -18.065
  108    H    VAL 765           H        VAL 765   8.065 -24.255 -12.306
  109    HA   VAL 765           HA       VAL 765   6.500 -25.549 -10.124
  110    HB   VAL 765           HB       VAL 765   4.510 -24.249 -10.881
  111   HG11  VAL 765          HG11      VAL 765   6.814 -22.496  -9.923
  112   HG12  VAL 765          HG12      VAL 765   5.098 -22.104  -9.834
  113   HG13  VAL 765          HG13      VAL 765   5.731 -23.470  -8.898
  114   HG21  VAL 765          HG21      VAL 765   5.336 -23.657 -13.173
  115   HG22  VAL 765          HG22      VAL 765   4.700 -22.278 -12.260
  116   HG23  VAL 765          HG23      VAL 765   6.447 -22.498 -12.428
  117    H    VAL 766           H        VAL 766   4.407 -26.458 -11.127
  118    HA   VAL 766           HA       VAL 766   4.909 -27.711 -13.790
  119    HB   VAL 766           HB       VAL 766   6.105 -29.123 -12.325
  120   HG11  VAL 766          HG11      VAL 766   5.196 -30.244 -10.390
  121   HG12  VAL 766          HG12      VAL 766   5.199 -28.509 -10.143
  122   HG13  VAL 766          HG13      VAL 766   3.669 -29.357 -10.507
  123   HG21  VAL 766          HG21      VAL 766   4.706 -30.281 -14.009
  124   HG22  VAL 766          HG22      VAL 766   5.046 -31.278 -12.575
  125   HG23  VAL 766          HG23      VAL 766   3.451 -30.547 -12.769
  126    H    THR 767           H        THR 767   3.155 -28.230 -14.909
  127    HA   THR 767           HA       THR 767   0.466 -28.164 -13.583
  128    HB   THR 767           HB       THR 767   1.163 -27.826 -16.529
  129    HG1  THR 767           HG1      THR 767   1.647 -25.985 -15.345
  130   HG21  THR 767          HG21      THR 767  -1.063 -28.885 -16.219
  131   HG22  THR 767          HG22      THR 767  -1.232 -27.211 -16.759
  132   HG23  THR 767          HG23      THR 767  -1.513 -27.625 -15.057
  133    H    CYS 768           H        CYS 768  -0.340 -30.100 -13.158
  134    HA   CYS 768           HA       CYS 768   0.553 -32.551 -14.513
  135    HB2  CYS 768           HB2      CYS 768  -0.161 -32.602 -12.115
  136    HB3  CYS 768           HB3      CYS 768  -1.773 -32.070 -12.606
  137    H    LYS 769           H        LYS 769  -0.192 -33.122 -16.441
  138    HA   LYS 769           HA       LYS 769  -2.363 -31.623 -17.754
  139    HB2  LYS 769           HB2      LYS 769  -0.644 -33.957 -18.743
  140    HB3  LYS 769           HB3      LYS 769  -1.684 -32.952 -19.741
  141    HG2  LYS 769           HG2      LYS 769   0.868 -32.114 -18.292
  142    HG3  LYS 769           HG3      LYS 769   0.648 -32.308 -20.026
  143    HD2  LYS 769           HD2      LYS 769  -0.685 -30.177 -18.288
  144    HD3  LYS 769           HD3      LYS 769   0.707 -29.935 -19.345
  145    HE2  LYS 769           HE2      LYS 769  -0.661 -30.594 -21.322
  146    HE3  LYS 769           HE3      LYS 769  -2.068 -30.820 -20.285
  147    HZ1  LYS 769           HZ1      LYS 769  -2.081 -28.638 -21.338
  148    HZ2  LYS 769           HZ2      LYS 769  -0.646 -28.244 -20.672
  149    HZ3  LYS 769           HZ3      LYS 769  -1.957 -28.464 -19.712
  150    H    THR 770           H        THR 770  -2.149 -34.545 -15.949
  151    HA   THR 770           HA       THR 770  -4.539 -35.801 -17.134
  152    HB   THR 770           HB       THR 770  -2.968 -36.558 -14.655
  153    HG1  THR 770           HG1      THR 770  -2.786 -37.557 -17.321
  154   HG21  THR 770          HG21      THR 770  -5.136 -37.667 -14.701
  155   HG22  THR 770          HG22      THR 770  -3.894 -38.835 -15.166
  156   HG23  THR 770          HG23      THR 770  -4.941 -38.095 -16.407
  157    H    CYS 771           H        CYS 771  -3.779 -33.998 -14.108
  158    HA   CYS 771           HA       CYS 771  -6.655 -34.069 -13.367
  159    HB2  CYS 771           HB2      CYS 771  -4.218 -33.107 -11.835
  160    HB3  CYS 771           HB3      CYS 771  -5.855 -33.254 -11.204
  161    H    LYS 772           H        LYS 772  -4.366 -31.886 -14.733
  162    HA   LYS 772           HA       LYS 772  -4.502 -29.815 -15.578
  163    HB2  LYS 772           HB2      LYS 772  -7.495 -29.991 -15.062
  164    HB3  LYS 772           HB3      LYS 772  -6.679 -28.755 -15.991
  165    HG2  LYS 772           HG2      LYS 772  -7.472 -30.148 -17.624
  166    HG3  LYS 772           HG3      LYS 772  -5.763 -30.515 -17.528
  167    HD2  LYS 772           HD2      LYS 772  -7.118 -32.492 -17.928
  168    HD3  LYS 772           HD3      LYS 772  -6.232 -32.640 -16.420
  169    HE2  LYS 772           HE2      LYS 772  -8.271 -32.031 -15.143
  170    HE3  LYS 772           HE3      LYS 772  -9.164 -31.797 -16.653
  171    HZ1  LYS 772           HZ1      LYS 772  -7.958 -34.377 -15.794
  172    HZ2  LYS 772           HZ2      LYS 772  -8.853 -34.147 -17.137
  173    HZ3  LYS 772           HZ3      LYS 772  -9.548 -34.002 -15.670
  174    H    TYR 773           H        TYR 773  -3.889 -30.139 -12.756
  175    HA   TYR 773           HA       TYR 773  -4.456 -27.355 -11.792
  176    HB2  TYR 773           HB2      TYR 773  -3.933 -27.973  -9.589
  177    HB3  TYR 773           HB3      TYR 773  -5.057 -29.169 -10.168
  178    HD1  TYR 773           HD1      TYR 773  -1.493 -28.520  -9.324
  179    HD2  TYR 773           HD2      TYR 773  -4.448 -31.510 -10.251
  180    HE1  TYR 773           HE1      TYR 773   0.115 -30.305  -8.658
  181    HE2  TYR 773           HE2      TYR 773  -2.883 -33.288  -9.482
  182    HH   TYR 773           HH       TYR 773  -0.721 -33.777  -8.800
  183    H    THR 774           H        THR 774  -2.710 -26.096 -10.981
  184    HA   THR 774           HA       THR 774   0.040 -26.839 -11.902
  185    HB   THR 774           HB       THR 774  -1.012 -24.010 -11.584
  186    HG1  THR 774           HG1      THR 774  -0.535 -25.375 -14.028
  187   HG21  THR 774          HG21      THR 774   0.960 -23.450 -12.985
  188   HG22  THR 774          HG22      THR 774   1.458 -25.155 -12.981
  189   HG23  THR 774          HG23      THR 774   1.456 -24.214 -11.476
  190    H    HIS 775           H        HIS 775   1.653 -26.706 -10.419
  191    HA   HIS 775           HA       HIS 775   1.363 -25.423  -7.804
  192    HB2  HIS 775           HB2      HIS 775   0.336 -28.015  -8.047
  193    HB3  HIS 775           HB3      HIS 775   1.959 -28.324  -7.470
  194    HD1  HIS 775           HD1      HIS 775   2.259 -27.927  -4.835
  195    HD2  HIS 775           HD2      HIS 775  -1.282 -26.407  -6.534
  196    HE1  HIS 775           HE1      HIS 775   0.813 -27.129  -2.890
  197    H    PHE 776           H        PHE 776   3.378 -26.225  -6.380
  198    HA   PHE 776           HA       PHE 776   5.765 -25.504  -7.822
  199    HB2  PHE 776           HB2      PHE 776   5.846 -26.784  -5.097
  200    HB3  PHE 776           HB3      PHE 776   6.818 -25.471  -5.735
  201    HD1  PHE 776           HD2      PHE 776   5.458 -23.208  -6.249
  202    HD2  PHE 776           HD1      PHE 776   4.114 -26.355  -3.618
  203    HE1  PHE 776           HE2      PHE 776   3.821 -21.653  -5.202
  204    HE2  PHE 776           HE1      PHE 776   2.465 -24.797  -2.599
  205    HZ   PHE 776           HZ       PHE 776   2.314 -22.459  -3.408
  206    H    LYS 777           H        LYS 777   4.377 -28.593  -6.924
  207    HA   LYS 777           HA       LYS 777   6.387 -30.119  -8.426
  208    HB2  LYS 777           HB2      LYS 777   7.080 -31.512  -6.627
  209    HB3  LYS 777           HB3      LYS 777   7.274 -29.861  -6.067
  210    HG2  LYS 777           HG2      LYS 777   5.131 -30.028  -4.787
  211    HG3  LYS 777           HG3      LYS 777   4.924 -31.681  -5.389
  212    HD2  LYS 777           HD2      LYS 777   7.314 -32.089  -4.339
  213    HD3  LYS 777           HD3      LYS 777   6.935 -30.621  -3.428
  214    HE2  LYS 777           HE2      LYS 777   6.201 -32.433  -2.053
  215    HE3  LYS 777           HE3      LYS 777   4.735 -31.746  -2.747
  216    HZ1  LYS 777           HZ1      LYS 777   4.682 -34.155  -2.930
  217    HZ2  LYS 777           HZ2      LYS 777   6.144 -34.198  -3.666
  218    HZ3  LYS 777           HZ3      LYS 777   4.855 -33.557  -4.452
  219    HA   PRO 778           HA       PRO 778   2.696 -32.718  -8.943
  220    HB2  PRO 778           HB2      PRO 778   3.701 -35.183  -9.486
  221    HB3  PRO 778           HB3      PRO 778   3.815 -33.830 -10.654
  222    HG2  PRO 778           HG2      PRO 778   5.951 -34.804  -8.730
  223    HG3  PRO 778           HG3      PRO 778   6.121 -34.415 -10.464
  224    HD2  PRO 778           HD2      PRO 778   6.762 -32.653  -8.471
  225    HD3  PRO 778           HD3      PRO 778   6.114 -32.131 -10.043
  226    H    LYS 779           H        LYS 779   1.435 -34.051  -7.622
  227    HA   LYS 779           HA       LYS 779   2.277 -34.497  -4.876
  228    HB2  LYS 779           HB2      LYS 779  -0.123 -35.440  -6.474
  229    HB3  LYS 779           HB3      LYS 779   0.108 -35.787  -4.749
  230    HG2  LYS 779           HG2      LYS 779   0.213 -33.378  -4.241
  231    HG3  LYS 779           HG3      LYS 779  -0.064 -32.982  -5.938
  232    HD2  LYS 779           HD2      LYS 779  -1.985 -34.530  -4.139
  233    HD3  LYS 779           HD3      LYS 779  -2.122 -32.816  -4.555
  234    HE2  LYS 779           HE2      LYS 779  -2.345 -33.413  -6.956
  235    HE3  LYS 779           HE3      LYS 779  -2.199 -35.127  -6.562
  236    HZ1  LYS 779           HZ1      LYS 779  -4.514 -34.517  -6.771
  237    HZ2  LYS 779           HZ2      LYS 779  -4.380 -33.320  -5.657
  238    HZ3  LYS 779           HZ3      LYS 779  -4.228 -34.884  -5.208
  239    H    GLU 780           H        GLU 780   2.580 -36.422  -3.785
  240    HA   GLU 780           HA       GLU 780   4.133 -38.449  -4.953
  241    HB2  GLU 780           HB2      GLU 780   2.346 -38.705  -2.489
  242    HB3  GLU 780           HB3      GLU 780   3.671 -39.779  -2.937
  243    HG2  GLU 780           HG2      GLU 780   4.711 -38.465  -1.377
  244    HG3  GLU 780           HG3      GLU 780   5.169 -37.630  -2.859
  245    H    THR 781           H        THR 781   0.584 -38.329  -4.651
  246    HA   THR 781           HA       THR 781   0.040 -40.955  -5.725
  247    HB   THR 781           HB       THR 781  -2.224 -39.861  -6.194
  248    HG1  THR 781           HG1      THR 781  -2.527 -37.865  -5.168
  249   HG21  THR 781          HG21      THR 781  -1.730 -41.177  -4.142
  250   HG22  THR 781          HG22      THR 781  -2.847 -39.842  -3.820
  251   HG23  THR 781          HG23      THR 781  -1.135 -39.711  -3.344
  252    H    CYS 782           H        CYS 782   0.365 -37.712  -7.248
  253    HA   CYS 782           HA       CYS 782  -0.265 -38.608  -9.884
  254    HB2  CYS 782           HB2      CYS 782   1.289 -36.173  -8.860
  255    HB3  CYS 782           HB3      CYS 782   0.895 -36.452 -10.543
  256    H    VAL 783           H        VAL 783   2.801 -38.442  -8.114
  257    HA   VAL 783           HA       VAL 783   4.438 -39.369 -10.337
  258    HB   VAL 783           HB       VAL 783   4.949 -39.394  -7.346
  259   HG11  VAL 783          HG11      VAL 783   6.389 -41.114  -8.355
  260   HG12  VAL 783          HG12      VAL 783   6.881 -39.978  -9.635
  261   HG13  VAL 783          HG13      VAL 783   7.358 -39.694  -7.947
  262   HG21  VAL 783          HG21      VAL 783   6.421 -37.474  -7.847
  263   HG22  VAL 783          HG22      VAL 783   5.993 -37.576  -9.568
  264   HG23  VAL 783          HG23      VAL 783   4.770 -37.132  -8.362
  265    H    SER 784           H        SER 784   2.821 -41.124  -7.579
  266    HA   SER 784           HA       SER 784   3.847 -43.692  -8.259
  267    HB2  SER 784           HB2      SER 784   1.421 -42.799  -6.643
  268    HB3  SER 784           HB3      SER 784   2.056 -44.437  -6.709
  269    HG   SER 784           HG       SER 784   3.243 -42.127  -5.610
  270    H    GLU 785           H        GLU 785   0.690 -42.140  -9.045
  271    HA   GLU 785           HA       GLU 785  -0.156 -44.393 -10.721
  272    HB2  GLU 785           HB2      GLU 785  -1.259 -41.572 -10.382
  273    HB3  GLU 785           HB3      GLU 785  -2.030 -42.838 -11.326
  274    HG2  GLU 785           HG2      GLU 785  -1.550 -42.966  -8.322
  275    HG3  GLU 785           HG3      GLU 785  -3.072 -42.566  -9.105
  276    H    ASN 786           H        ASN 786   1.919 -41.741 -11.116
  277    HA   ASN 786           HA       ASN 786   3.282 -41.147 -12.733
  278    HB2  ASN 786           HB2      ASN 786   3.220 -43.792 -12.884
  279    HB3  ASN 786           HB3      ASN 786   2.521 -43.507 -14.468
  280   HD21  ASN 786          HD21      ASN 786   5.224 -42.545 -12.316
  281   HD22  ASN 786          HD22      ASN 786   6.424 -42.367 -13.594
  282    H    HIS 787           H        HIS 787   1.128 -39.683 -12.755
  283    HA   HIS 787           HA       HIS 787  -0.238 -39.281 -15.268
  284    HB2  HIS 787           HB2      HIS 787   0.398 -37.407 -12.954
  285    HB3  HIS 787           HB3      HIS 787  -0.655 -37.011 -14.299
  286    HD2  HIS 787           HD2      HIS 787  -1.516 -40.494 -13.623
  287    HE1  HIS 787           HE1      HIS 787  -4.091 -38.400 -10.974
  288    HE2  HIS 787           HE2      HIS 787  -3.606 -40.646 -12.087
  289    H    ASP 788           H        ASP 788   0.064 -37.518 -16.748
  290    HA   ASP 788           HA       ASP 788   2.909 -36.958 -17.409
  291    HB2  ASP 788           HB2      ASP 788   0.285 -36.328 -18.820
  292    HB3  ASP 788           HB3      ASP 788   1.866 -35.780 -19.371
  293    H    PHE 789           H        PHE 789   3.875 -34.965 -17.160
  294    HA   PHE 789           HA       PHE 789   2.201 -32.646 -16.437
  295    HB2  PHE 789           HB2      PHE 789   4.491 -32.379 -14.816
  296    HB3  PHE 789           HB3      PHE 789   2.816 -32.466 -14.328
  297    HD1  PHE 789           HD1      PHE 789   1.869 -34.625 -13.502
  298    HD2  PHE 789           HD2      PHE 789   6.045 -34.140 -14.434
  299    HE1  PHE 789           HE1      PHE 789   2.423 -36.606 -12.104
  300    HE2  PHE 789           HE2      PHE 789   6.596 -36.123 -13.044
  301    HZ   PHE 789           HZ       PHE 789   4.780 -37.354 -11.864
  302    H    HIS 790           H        HIS 790   3.025 -30.638 -16.858
  303    HA   HIS 790           HA       HIS 790   5.549 -30.497 -18.492
  304    HB2  HIS 790           HB2      HIS 790   3.047 -28.770 -18.545
  305    HB3  HIS 790           HB3      HIS 790   4.552 -28.362 -19.345
  306    HD1  HIS 790           HD1      HIS 790   2.578 -28.349 -21.408
  307    HD2  HIS 790           HD2      HIS 790   4.124 -31.996 -19.999
  308    HE1  HIS 790           HE1      HIS 790   2.076 -30.082 -23.198
  309    H    TRP 791           H        TRP 791   7.207 -29.513 -17.478
  310    HA   TRP 791           HA       TRP 791   6.760 -27.818 -15.079
  311    HB2  TRP 791           HB2      TRP 791   9.251 -29.042 -16.294
  312    HB3  TRP 791           HB3      TRP 791   9.234 -27.951 -14.916
  313    HD1  TRP 791           HD1      TRP 791   7.996 -31.473 -15.836
  314    HE1  TRP 791           HE1      TRP 791   7.919 -32.902 -13.705
  315    HE3  TRP 791           HE3      TRP 791   9.035 -27.841 -12.379
  316    HZ2  TRP 791           HZ2      TRP 791   8.340 -32.530 -10.877
  317    HZ3  TRP 791           HZ3      TRP 791   9.171 -28.394  -9.973
  318    HH2  TRP 791           HH2      TRP 791   8.825 -30.742  -9.202
  319    H    HIS 792           H        HIS 792   7.559 -25.730 -14.865
  320    HA   HIS 792           HA       HIS 792   8.893 -24.210 -16.933
  321    HB2  HIS 792           HB2      HIS 792   7.031 -22.719 -17.492
  322    HB3  HIS 792           HB3      HIS 792   6.634 -24.355 -17.965
  323    HD1  HIS 792           HD1      HIS 792   5.207 -21.530 -16.011
  324    HD2  HIS 792           HD2      HIS 792   4.909 -25.727 -16.114
  325    HE1  HIS 792           HE1      HIS 792   3.005 -22.115 -14.881
  326    H    ASN 793           H        ASN 793   8.790 -21.698 -16.210
  327    HA   ASN 793           HA       ASN 793   9.209 -21.663 -13.281
  328    HB2  ASN 793           HB2      ASN 793  10.860 -20.698 -15.006
  329    HB3  ASN 793           HB3      ASN 793   9.706 -19.359 -15.173
  330   HD21  ASN 793          HD21      ASN 793  12.006 -20.900 -12.975
  331   HD22  ASN 793          HD22      ASN 793  12.028 -19.557 -11.845
  332    H    GLY 794           H        GLY 794   8.195 -20.249 -11.859
  333    HA2  GLY 794           HA2      GLY 794   5.984 -18.473 -12.714
  334    HA3  GLY 794           HA3      GLY 794   5.544 -19.837 -11.688
  335    H    VAL 795           H        VAL 795   4.864 -17.725 -10.501
  336    HA   VAL 795           HA       VAL 795   6.962 -17.071  -8.459
  337    HB   VAL 795           HB       VAL 795   4.941 -15.108  -9.620
  338   HG11  VAL 795          HG11      VAL 795   6.116 -13.453  -8.133
  339   HG12  VAL 795          HG12      VAL 795   5.209 -14.656  -7.224
  340   HG13  VAL 795          HG13      VAL 795   6.976 -14.809  -7.366
  341   HG21  VAL 795          HG21      VAL 795   6.891 -15.426 -11.115
  342   HG22  VAL 795          HG22      VAL 795   6.951 -13.845 -10.332
  343   HG23  VAL 795          HG23      VAL 795   7.984 -15.156  -9.741
  344    H    LYS 796           H        LYS 796   6.313 -17.076  -6.368
  345    HA   LYS 796           HA       LYS 796   3.634 -18.287  -5.849
  346    HB2  LYS 796           HB2      LYS 796   4.711 -19.707  -4.234
  347    HB3  LYS 796           HB3      LYS 796   5.590 -19.781  -5.752
  348    HG2  LYS 796           HG2      LYS 796   7.108 -17.884  -4.639
  349    HG3  LYS 796           HG3      LYS 796   6.412 -18.486  -3.134
  350    HD2  LYS 796           HD2      LYS 796   7.957 -20.089  -5.215
  351    HD3  LYS 796           HD3      LYS 796   8.583 -19.528  -3.655
  352    HE2  LYS 796           HE2      LYS 796   6.914 -20.928  -2.472
  353    HE3  LYS 796           HE3      LYS 796   6.269 -21.498  -4.014
  354    HZ1  LYS 796           HZ1      LYS 796   7.832 -23.090  -3.099
  355    HZ2  LYS 796           HZ2      LYS 796   9.026 -21.977  -3.021
  356    HZ3  LYS 796           HZ3      LYS 796   8.468 -22.468  -4.470
  357    H    ARG 797           H        ARG 797   2.581 -18.004  -3.936
  358    HA   ARG 797           HA       ARG 797   2.966 -15.357  -2.596
  359    HB2  ARG 797           HB2      ARG 797   0.328 -16.751  -3.073
  360    HB3  ARG 797           HB3      ARG 797   0.612 -15.056  -2.725
  361    HG2  ARG 797           HG2      ARG 797   1.101 -16.566  -5.324
  362    HG3  ARG 797           HG3      ARG 797  -0.186 -15.425  -4.984
  363    HD2  ARG 797           HD2      ARG 797   1.337 -13.565  -4.916
  364    HD3  ARG 797           HD3      ARG 797   2.743 -14.636  -5.036
  365    HE   ARG 797           HE       ARG 797   1.132 -15.228  -7.252
  366   HH11  ARG 797          HH11      ARG 797   2.906 -12.375  -6.105
  367   HH12  ARG 797          HH12      ARG 797   3.073 -11.733  -7.717
  368   HH21  ARG 797          HH21      ARG 797   1.428 -14.358  -9.292
  369   HH22  ARG 797          HH22      ARG 797   2.277 -12.856  -9.499
  370    H    PHE 798           H        PHE 798   2.970 -15.391  -0.397
  371    HA   PHE 798           HA       PHE 798   2.705 -18.007   0.987
  372    HB2  PHE 798           HB2      PHE 798   3.962 -15.430   1.968
  373    HB3  PHE 798           HB3      PHE 798   4.149 -17.035   2.654
  374    HD1  PHE 798           HD1      PHE 798   5.124 -18.871   0.982
  375    HD2  PHE 798           HD2      PHE 798   5.676 -14.620   0.543
  376    HE1  PHE 798           HE1      PHE 798   7.110 -19.274  -0.456
  377    HE2  PHE 798           HE2      PHE 798   7.641 -15.025  -0.906
  378    HZ   PHE 798           HZ       PHE 798   8.360 -17.356  -1.402
  379    H    PHE 799           H        PHE 799   1.298 -18.405   2.684
  380    HA   PHE 799           HA       PHE 799  -0.441 -16.173   3.641
  381    HB2  PHE 799           HB2      PHE 799  -1.372 -18.949   2.873
  382    HB3  PHE 799           HB3      PHE 799  -2.369 -17.634   3.483
  383    HD1  PHE 799           HD1      PHE 799  -2.992 -15.742   2.045
  384    HD2  PHE 799           HD2      PHE 799  -0.558 -18.971   0.566
  385    HE1  PHE 799           HE1      PHE 799  -3.291 -14.897  -0.274
  386    HE2  PHE 799           HE2      PHE 799  -0.883 -18.154  -1.747
  387    HZ   PHE 799           HZ       PHE 799  -2.206 -16.095  -2.179
  388    H    LYS 800           H        LYS 800  -1.493 -16.441   5.591
  389    HA   LYS 800           HA       LYS 800  -0.598 -18.596   7.458
  390    HB2  LYS 800           HB2      LYS 800   0.888 -16.641   7.731
  391    HB3  LYS 800           HB3      LYS 800  -0.512 -15.577   7.933
  392    HG2  LYS 800           HG2      LYS 800  -1.119 -16.640  10.024
  393    HG3  LYS 800           HG3      LYS 800   0.115 -17.904   9.809
  394    HD2  LYS 800           HD2      LYS 800   1.897 -16.172   9.931
  395    HD3  LYS 800           HD3      LYS 800   0.653 -14.912  10.136
  396    HE2  LYS 800           HE2      LYS 800  -0.141 -16.056  12.203
  397    HE3  LYS 800           HE3      LYS 800   1.132 -17.283  12.009
  398    HZ1  LYS 800           HZ1      LYS 800   1.605 -14.379  12.422
  399    HZ2  LYS 800           HZ2      LYS 800   2.775 -15.511  12.265
  400    HZ3  LYS 800           HZ3      LYS 800   1.784 -15.535  13.561
  401    H    CYS 801           H        CYS 801  -2.077 -19.209   8.942
  402    HA   CYS 801           HA       CYS 801  -4.856 -18.127   8.860
  403    HB2  CYS 801           HB2      CYS 801  -4.402 -20.556   8.418
  404    HB3  CYS 801           HB3      CYS 801  -3.637 -20.667  10.018
  405    HA   PRO 802           HA       PRO 802  -4.201 -16.126  12.801
  406    HB2  PRO 802           HB2      PRO 802  -6.694 -16.515  14.057
  407    HB3  PRO 802           HB3      PRO 802  -6.260 -15.223  12.885
  408    HG2  PRO 802           HG2      PRO 802  -7.589 -17.884  12.361
  409    HG3  PRO 802           HG3      PRO 802  -8.051 -16.271  11.728
  410    HD2  PRO 802           HD2      PRO 802  -6.655 -17.922  10.176
  411    HD3  PRO 802           HD3      PRO 802  -6.148 -16.215  10.274
  412    H    CYS 803           H        CYS 803  -5.079 -19.582  12.901
  413    HA   CYS 803           HA       CYS 803  -4.449 -19.844  15.727
  414    HB2  CYS 803           HB2      CYS 803  -4.782 -22.182  15.417
  415    HB3  CYS 803           HB3      CYS 803  -6.055 -21.323  14.554
  416    H    GLY 804           H        GLY 804  -2.511 -19.418  12.990
  417    HA2  GLY 804           HA2      GLY 804  -0.140 -19.117  13.143
  418    HA3  GLY 804           HA3      GLY 804  -0.029 -20.473  14.299
  419    H    ASN 805           H        ASN 805  -2.080 -21.746  12.091
  420    HA   ASN 805           HA       ASN 805  -0.111 -23.319  10.762
  421    HB2  ASN 805           HB2      ASN 805  -2.521 -23.940  11.200
  422    HB3  ASN 805           HB3      ASN 805  -2.980 -22.862   9.875
  423   HD21  ASN 805          HD21      ASN 805  -3.957 -24.862   8.937
  424   HD22  ASN 805          HD22      ASN 805  -2.875 -25.924   8.038
  425    H    ARG 806           H        ARG 806   0.416 -23.427   8.490
  426    HA   ARG 806           HA       ARG 806   0.447 -20.796   7.047
  427    HB2  ARG 806           HB2      ARG 806   2.751 -22.755   7.476
  428    HB3  ARG 806           HB3      ARG 806   2.820 -21.348   6.431
  429    HG2  ARG 806           HG2      ARG 806   2.477 -21.304   9.458
  430    HG3  ARG 806           HG3      ARG 806   3.934 -20.923   8.559
  431    HD2  ARG 806           HD2      ARG 806   1.342 -19.343   8.545
  432    HD3  ARG 806           HD3      ARG 806   2.848 -18.855   9.286
  433    HE   ARG 806           HE       ARG 806   2.104 -18.735   6.457
  434   HH11  ARG 806          HH11      ARG 806   4.879 -18.578   8.651
  435   HH12  ARG 806          HH12      ARG 806   5.890 -17.818   7.452
  436   HH21  ARG 806          HH21      ARG 806   3.459 -17.837   4.966
  437   HH22  ARG 806          HH22      ARG 806   5.089 -17.406   5.380
  438    H    THR 807           H        THR 807   0.715 -20.883   4.780
  439    HA   THR 807           HA       THR 807   1.093 -23.331   3.336
  440    HB   THR 807           HB       THR 807  -1.370 -23.490   3.942
  441    HG1  THR 807           HG1      THR 807  -1.808 -24.227   1.840
  442   HG21  THR 807          HG21      THR 807  -1.983 -21.097   3.524
  443   HG22  THR 807          HG22      THR 807  -2.969 -22.248   2.619
  444   HG23  THR 807          HG23      THR 807  -1.679 -21.338   1.791
  445    H    ILE 808           H        ILE 808   0.657 -22.879   0.912
  446    HA   ILE 808           HA       ILE 808   1.596 -20.199   0.063
  447    HB   ILE 808           HB       ILE 808   3.102 -22.698  -0.788
  448   HG12  ILE 808          HG12      ILE 808   3.919 -20.787   1.434
  449   HG13  ILE 808          HG13      ILE 808   3.530 -22.495   1.613
  450   HG21  ILE 808          HG21      ILE 808   3.911 -19.756  -0.931
  451   HG22  ILE 808          HG22      ILE 808   4.740 -21.138  -1.686
  452   HG23  ILE 808          HG23      ILE 808   3.167 -20.644  -2.269
  453   HD11  ILE 808          HD11      ILE 808   5.494 -23.068   0.158
  454   HD12  ILE 808          HD12      ILE 808   5.975 -21.357   0.225
  455   HD13  ILE 808          HD13      ILE 808   5.909 -22.309   1.709
  456    H    SER 809           H        SER 809   1.001 -19.775  -2.113
  457    HA   SER 809           HA       SER 809  -0.063 -21.992  -3.768
  458    HB2  SER 809           HB2      SER 809  -2.034 -21.025  -2.552
  459    HB3  SER 809           HB3      SER 809  -1.703 -19.468  -3.330
  460    HG   SER 809           HG       SER 809  -3.275 -20.888  -4.415
  461    H    LEU 810           H        LEU 810  -0.410 -21.280  -6.037
  462    HA   LEU 810           HA       LEU 810   1.481 -19.147  -6.923
  463    HB2  LEU 810           HB2      LEU 810  -0.091 -21.266  -8.470
  464    HB3  LEU 810           HB3      LEU 810   1.004 -20.094  -9.189
  465    HG   LEU 810           HG       LEU 810   1.847 -22.294  -7.238
  466   HD11  LEU 810          HD11      LEU 810   2.308 -22.018 -10.232
  467   HD12  LEU 810          HD12      LEU 810   1.155 -23.122  -9.441
  468   HD13  LEU 810          HD13      LEU 810   2.891 -23.323  -9.167
  469   HD21  LEU 810          HD21      LEU 810   3.307 -20.273  -7.063
  470   HD22  LEU 810          HD22      LEU 810   3.554 -20.325  -8.821
  471   HD23  LEU 810          HD23      LEU 810   4.144 -21.645  -7.789
  472    H    ASP 811           H        ASP 811  -1.849 -19.637  -6.236
  473    HA   ASP 811           HA       ASP 811  -2.742 -17.336  -7.895
  474    HB2  ASP 811           HB2      ASP 811  -4.027 -19.564  -7.684
  475    HB3  ASP 811           HB3      ASP 811  -4.406 -19.064  -6.034
  476    H    ARG 812           H        ARG 812  -4.172 -15.770  -6.793
  477    HA   ARG 812           HA       ARG 812  -2.803 -14.402  -4.699
  478    HB2  ARG 812           HB2      ARG 812  -4.718 -12.791  -4.837
  479    HB3  ARG 812           HB3      ARG 812  -3.826 -13.108  -6.306
  480    HG2  ARG 812           HG2      ARG 812  -6.153 -12.893  -6.832
  481    HG3  ARG 812           HG3      ARG 812  -5.632 -14.531  -7.180
  482    HD2  ARG 812           HD2      ARG 812  -6.717 -15.301  -5.060
  483    HD3  ARG 812           HD3      ARG 812  -7.254 -13.653  -4.739
  484    HE   ARG 812           HE       ARG 812  -8.234 -15.589  -6.736
  485   HH11  ARG 812          HH11      ARG 812  -8.428 -12.178  -5.735
  486   HH12  ARG 812          HH12      ARG 812  -9.922 -11.937  -6.586
  487   HH21  ARG 812          HH21      ARG 812 -10.147 -15.179  -7.806
  488   HH22  ARG 812          HH22      ARG 812 -10.865 -13.593  -7.760
  489    H    LEU 813           H        LEU 813  -4.972 -16.975  -4.341
  490    HA   LEU 813           HA       LEU 813  -4.896 -16.811  -1.464
  491    HB2  LEU 813           HB2      LEU 813  -6.877 -15.258  -2.156
  492    HB3  LEU 813           HB3      LEU 813  -7.667 -16.715  -2.721
  493    HG   LEU 813           HG       LEU 813  -7.451 -17.614  -0.330
  494   HD11  LEU 813          HD11      LEU 813  -5.663 -16.062   0.494
  495   HD12  LEU 813          HD12      LEU 813  -7.131 -15.936   1.472
  496   HD13  LEU 813          HD13      LEU 813  -6.758 -14.689   0.258
  497   HD21  LEU 813          HD21      LEU 813  -9.551 -16.709  -1.244
  498   HD22  LEU 813          HD22      LEU 813  -9.062 -15.062  -0.795
  499   HD23  LEU 813          HD23      LEU 813  -9.372 -16.272   0.469
  500    HA   PRO 814           HA       PRO 814  -5.320 -21.213  -2.540
  501    HB2  PRO 814           HB2      PRO 814  -5.289 -22.357  -0.067
  502    HB3  PRO 814           HB3      PRO 814  -3.830 -21.641  -0.797
  503    HG2  PRO 814           HG2      PRO 814  -5.766 -20.355   1.150
  504    HG3  PRO 814           HG3      PRO 814  -3.977 -20.414   1.284
  505    HD2  PRO 814           HD2      PRO 814  -5.278 -18.256   0.287
  506    HD3  PRO 814           HD3      PRO 814  -3.727 -18.784  -0.411
  507    H    LYS 815           H        LYS 815  -6.989 -22.835  -2.470
  508    HA   LYS 815           HA       LYS 815  -9.679 -21.799  -1.836
  509    HB2  LYS 815           HB2      LYS 815 -10.425 -23.689  -3.133
  510    HB3  LYS 815           HB3      LYS 815  -9.126 -22.872  -3.993
  511    HG2  LYS 815           HG2      LYS 815  -7.503 -24.615  -3.189
  512    HG3  LYS 815           HG3      LYS 815  -8.843 -25.467  -2.382
  513    HD2  LYS 815           HD2      LYS 815  -9.989 -25.703  -4.520
  514    HD3  LYS 815           HD3      LYS 815  -8.640 -24.851  -5.342
  515    HE2  LYS 815           HE2      LYS 815  -7.079 -26.650  -4.605
  516    HE3  LYS 815           HE3      LYS 815  -8.411 -27.477  -3.798
  517    HZ1  LYS 815           HZ1      LYS 815  -8.229 -26.979  -6.718
  518    HZ2  LYS 815           HZ2      LYS 815  -9.478 -27.722  -5.983
  519    HZ3  LYS 815           HZ3      LYS 815  -7.999 -28.419  -5.985
  520    H    LYS 816           H        LYS 816  -7.393 -24.009  -0.452
  521    HA   LYS 816           HA       LYS 816  -9.267 -25.868   0.656
  522    HB2  LYS 816           HB2      LYS 816  -7.217 -26.746   1.853
  523    HB3  LYS 816           HB3      LYS 816  -7.135 -26.688   0.096
  524    HG2  LYS 816           HG2      LYS 816  -5.568 -24.947   0.065
  525    HG3  LYS 816           HG3      LYS 816  -6.016 -24.343   1.647
  526    HD2  LYS 816           HD2      LYS 816  -3.813 -25.370   1.753
  527    HD3  LYS 816           HD3      LYS 816  -4.966 -26.307   2.729
  528    HE2  LYS 816           HE2      LYS 816  -5.220 -27.925   0.862
  529    HE3  LYS 816           HE3      LYS 816  -4.057 -27.007  -0.106
  530    HZ1  LYS 816           HZ1      LYS 816  -3.011 -28.875   1.025
  531    HZ2  LYS 816           HZ2      LYS 816  -3.475 -28.321   2.490
  532    HZ3  LYS 816           HZ3      LYS 816  -2.383 -27.481   1.601
  533    H    HIS 817           H        HIS 817  -9.860 -26.307   2.814
  534    HA   HIS 817           HA       HIS 817  -9.868 -24.078   4.757
  535    HB2  HIS 817           HB2      HIS 817 -10.840 -26.956   4.805
  536    HB3  HIS 817           HB3      HIS 817 -10.786 -25.966   6.242
  537    HD1  HIS 817           HD1      HIS 817 -13.235 -25.518   6.731
  538    HD2  HIS 817           HD2      HIS 817 -12.118 -24.744   2.753
  539    HE1  HIS 817           HE1      HIS 817 -15.275 -24.477   5.606
  540    H    CYS 818           H        CYS 818  -9.000 -24.360   6.929
  541    HA   CYS 818           HA       CYS 818  -6.223 -24.921   6.965
  542    HB2  CYS 818           HB2      CYS 818  -7.371 -23.220   8.279
  543    HB3  CYS 818           HB3      CYS 818  -8.254 -24.452   9.182
  544    H    SER 819           H        SER 819  -5.068 -26.663   7.493
  545    HA   SER 819           HA       SER 819  -6.213 -29.262   8.008
  546    HB2  SER 819           HB2      SER 819  -3.348 -28.329   8.376
  547    HB3  SER 819           HB3      SER 819  -3.914 -30.001   8.172
  548    HG   SER 819           HG       SER 819  -3.084 -29.135   6.215
  549    H    THR 820           H        THR 820  -5.471 -26.657  10.148
  550    HA   THR 820           HA       THR 820  -4.943 -28.447  12.487
  551    HB   THR 820           HB       THR 820  -4.364 -25.500  12.028
  552    HG1  THR 820           HG1      THR 820  -2.192 -26.399  12.093
  553   HG21  THR 820          HG21      THR 820  -4.680 -25.873  14.425
  554   HG22  THR 820          HG22      THR 820  -2.953 -25.705  14.076
  555   HG23  THR 820          HG23      THR 820  -3.646 -27.315  14.379
  556    H    CYS 821           H        CYS 821  -7.083 -25.725  11.512
  557    HA   CYS 821           HA       CYS 821  -8.788 -26.425  13.881
  558    HB2  CYS 821           HB2      CYS 821  -9.322 -24.164  14.212
  559    HB3  CYS 821           HB3      CYS 821  -7.568 -24.348  14.268
  560    H    GLY 822           H        GLY 822  -8.833 -26.111  10.473
  561    HA2  GLY 822           HA2      GLY 822 -10.419 -27.195   9.164
  562    HA3  GLY 822           HA3      GLY 822 -11.549 -27.219  10.537
  563    H    LEU 823           H        LEU 823 -10.758 -24.048  10.310
  564    HA   LEU 823           HA       LEU 823 -13.115 -23.416   8.624
  565    HB2  LEU 823           HB2      LEU 823 -12.971 -21.176   9.631
  566    HB3  LEU 823           HB3      LEU 823 -13.173 -22.479  10.780
  567    HG   LEU 823           HG       LEU 823 -10.915 -22.307  11.562
  568   HD11  LEU 823          HD11      LEU 823 -10.481 -20.211   9.391
  569   HD12  LEU 823          HD12      LEU 823  -9.595 -21.729   9.600
  570   HD13  LEU 823          HD13      LEU 823  -9.403 -20.428  10.779
  571   HD21  LEU 823          HD21      LEU 823 -12.594 -20.790  12.527
  572   HD22  LEU 823          HD22      LEU 823 -12.195 -19.552  11.307
  573   HD23  LEU 823          HD23      LEU 823 -10.993 -20.036  12.521
  574    H    PHE 824           H        PHE 824 -12.705 -20.997   7.628
  575    HA   PHE 824           HA       PHE 824 -10.283 -21.105   5.879
  576    HB2  PHE 824           HB2      PHE 824 -12.365 -21.859   4.749
  577    HB3  PHE 824           HB3      PHE 824 -13.102 -20.304   5.073
  578    HD1  PHE 824           HD1      PHE 824 -10.407 -22.079   3.250
  579    HD2  PHE 824           HD2      PHE 824 -12.476 -18.328   3.737
  580    HE1  PHE 824           HE1      PHE 824  -9.308 -21.209   1.210
  581    HE2  PHE 824           HE2      PHE 824 -11.385 -17.469   1.673
  582    HZ   PHE 824           HZ       PHE 824  -9.791 -18.899   0.419
  583    H    LYS 825           H        LYS 825  -9.075 -19.584   6.931
  584    HA   LYS 825           HA       LYS 825  -9.955 -16.760   6.879
  585    HB2  LYS 825           HB2      LYS 825  -9.025 -18.215   9.398
  586    HB3  LYS 825           HB3      LYS 825  -9.044 -16.460   9.263
  587    HG2  LYS 825           HG2      LYS 825 -11.528 -18.187   9.069
  588    HG3  LYS 825           HG3      LYS 825 -10.972 -17.358  10.508
  589    HD2  LYS 825           HD2      LYS 825 -11.221 -15.185   9.450
  590    HD3  LYS 825           HD3      LYS 825 -11.689 -15.917   7.915
  591    HE2  LYS 825           HE2      LYS 825 -13.240 -16.313  10.508
  592    HE3  LYS 825           HE3      LYS 825 -13.584 -15.024   9.348
  593    HZ1  LYS 825           HZ1      LYS 825 -14.980 -16.945   8.937
  594    HZ2  LYS 825           HZ2      LYS 825 -13.683 -17.923   8.731
  595    HZ3  LYS 825           HZ3      LYS 825 -13.981 -16.731   7.662
  596    H    TRP 826           H        TRP 826  -8.055 -18.240   5.247
  597    HA   TRP 826           HA       TRP 826  -5.365 -17.680   5.976
  598    HB2  TRP 826           HB2      TRP 826  -6.646 -17.905   3.228
  599    HB3  TRP 826           HB3      TRP 826  -4.910 -17.867   3.523
  600    HD1  TRP 826           HD1      TRP 826  -7.609 -20.205   3.003
  601    HE1  TRP 826           HE1      TRP 826  -6.980 -22.599   3.648
  602    HE3  TRP 826           HE3      TRP 826  -3.372 -19.195   5.660
  603    HZ2  TRP 826           HZ2      TRP 826  -4.881 -23.918   5.177
  604    HZ3  TRP 826           HZ3      TRP 826  -2.057 -21.024   6.701
  605    HH2  TRP 826           HH2      TRP 826  -2.803 -23.388   6.462
  606    H    GLU 827           H        GLU 827  -4.158 -15.923   6.000
  607    HA   GLU 827           HA       GLU 827  -5.036 -13.402   4.680
  608    HB2  GLU 827           HB2      GLU 827  -5.002 -13.388   7.181
  609    HB3  GLU 827           HB3      GLU 827  -3.300 -13.840   7.151
  610    HG2  GLU 827           HG2      GLU 827  -3.474 -11.465   7.559
  611    HG3  GLU 827           HG3      GLU 827  -2.763 -11.710   5.978
  612    H    ARG 828           H        ARG 828  -3.586 -12.451   3.292
  613    HA   ARG 828           HA       ARG 828  -1.301 -13.964   2.347
  614    HB2  ARG 828           HB2      ARG 828  -2.732 -12.637   0.845
  615    HB3  ARG 828           HB3      ARG 828  -2.308 -11.159   1.713
  616    HG2  ARG 828           HG2      ARG 828  -1.044 -11.228  -0.333
  617    HG3  ARG 828           HG3      ARG 828   0.050 -11.417   1.027
  618    HD2  ARG 828           HD2      ARG 828  -0.598 -14.070   0.329
  619    HD3  ARG 828           HD3      ARG 828  -0.567 -13.268  -1.221
  620    HE   ARG 828           HE       ARG 828   1.644 -13.595   0.733
  621   HH11  ARG 828          HH11      ARG 828   0.804 -12.287  -2.472
  622   HH12  ARG 828          HH12      ARG 828   2.500 -12.179  -2.917
  623   HH21  ARG 828          HH21      ARG 828   3.712 -13.083   0.182
  624   HH22  ARG 828          HH22      ARG 828   4.070 -12.549  -1.456
  625    H    VAL 829           H        VAL 829   0.735 -13.860   3.017
  626    HA   VAL 829           HA       VAL 829   1.723 -11.528   4.618
  627    HB   VAL 829           HB       VAL 829   3.075 -13.024   6.000
  628   HG11  VAL 829          HG11      VAL 829   0.114 -13.678   6.203
  629   HG12  VAL 829          HG12      VAL 829   1.337 -13.775   7.489
  630   HG13  VAL 829          HG13      VAL 829   0.900 -12.202   6.801
  631   HG21  VAL 829          HG21      VAL 829   3.202 -15.026   4.519
  632   HG22  VAL 829          HG22      VAL 829   2.626 -15.435   6.143
  633   HG23  VAL 829          HG23      VAL 829   1.483 -15.331   4.802
  634    H    GLY 830           H        GLY 830   4.148 -11.479   4.758
  635    HA2  GLY 830           HA2      GLY 830   5.138 -11.427   1.999
  636    HA3  GLY 830           HA3      GLY 830   5.890 -10.698   3.441
  637    H    MET 831           H        MET 831   7.845 -11.352   2.531
  638    HA   MET 831           HA       MET 831   8.499 -14.035   1.815
  639    HB2  MET 831           HB2      MET 831   9.532 -11.804   1.034
  640    HB3  MET 831           HB3      MET 831  10.480 -11.842   2.516
  641    HG2  MET 831           HG2      MET 831  11.409 -14.068   1.792
  642    HG3  MET 831           HG3      MET 831  10.448 -13.932   0.307
  643    HE1  MET 831           HE1      MET 831  14.139 -13.464  -0.925
  644    HE2  MET 831           HE2      MET 831  13.479 -14.567   0.303
  645    HE3  MET 831           HE3      MET 831  12.595 -14.285  -1.219
  646    H    LEU 832           H        LEU 832   9.901 -15.523   2.775
  647    HA   LEU 832           HA       LEU 832   9.739 -15.722   5.693
  648    HB2  LEU 832           HB2      LEU 832  10.854 -17.562   3.507
  649    HB3  LEU 832           HB3      LEU 832  10.777 -17.979   5.207
  650    HG   LEU 832           HG       LEU 832   9.037 -19.095   4.108
  651   HD11  LEU 832          HD11      LEU 832   8.577 -18.201   6.380
  652   HD12  LEU 832          HD12      LEU 832   7.122 -18.488   5.415
  653   HD13  LEU 832          HD13      LEU 832   7.720 -16.825   5.644
  654   HD21  LEU 832          HD21      LEU 832   7.244 -18.179   2.874
  655   HD22  LEU 832          HD22      LEU 832   8.734 -17.576   2.134
  656   HD23  LEU 832          HD23      LEU 832   7.744 -16.509   3.165
  657    H    LYS 833           H        LYS 833  11.793 -13.957   4.052
  658    HA   LYS 833           HA       LYS 833  13.818 -12.993   4.391
  659    HB2  LYS 833           HB2      LYS 833  13.839 -14.343   7.114
  660    HB3  LYS 833           HB3      LYS 833  14.764 -12.938   6.635
  661    HG2  LYS 833           HG2      LYS 833  11.718 -13.017   6.882
  662    HG3  LYS 833           HG3      LYS 833  12.844 -12.444   8.099
  663    HD2  LYS 833           HD2      LYS 833  12.170 -10.474   7.169
  664    HD3  LYS 833           HD3      LYS 833  13.675 -10.763   6.294
  665    HE2  LYS 833           HE2      LYS 833  12.355 -11.624   4.359
  666    HE3  LYS 833           HE3      LYS 833  10.860 -11.381   5.276
  667    HZ1  LYS 833           HZ1      LYS 833  12.745  -9.224   4.489
  668    HZ2  LYS 833           HZ2      LYS 833  11.366  -9.014   5.331
  669    HZ3  LYS 833           HZ3      LYS 833  11.293  -9.521   3.787
  670    H    GLU 834           H        GLU 834  13.656 -16.082   3.756
  671    HA   GLU 834           HA       GLU 834  16.326 -16.304   2.750
  672    HB2  GLU 834           HB2      GLU 834  17.022 -18.328   3.971
  673    HB3  GLU 834           HB3      GLU 834  16.952 -16.914   5.016
  674    HG2  GLU 834           HG2      GLU 834  14.776 -17.680   5.935
  675    HG3  GLU 834           HG3      GLU 834  14.856 -19.113   4.898
  676    H    LYS 835           H        LYS 835  16.447 -17.876   1.120
  677    HA   LYS 835           HA       LYS 835  13.899 -18.872   0.140
  678    HB2  LYS 835           HB2      LYS 835  16.752 -19.227  -0.864
  679    HB3  LYS 835           HB3      LYS 835  15.285 -19.685  -1.748
  680    HG2  LYS 835           HG2      LYS 835  14.538 -17.289  -1.732
  681    HG3  LYS 835           HG3      LYS 835  16.000 -16.838  -0.861
  682    HD2  LYS 835           HD2      LYS 835  16.347 -16.303  -3.136
  683    HD3  LYS 835           HD3      LYS 835  17.377 -17.687  -2.773
  684    HE2  LYS 835           HE2      LYS 835  15.716 -19.217  -3.821
  685    HE3  LYS 835           HE3      LYS 835  14.646 -17.844  -4.148
  686    HZ1  LYS 835           HZ1      LYS 835  17.370 -18.182  -5.271
  687    HZ2  LYS 835           HZ2      LYS 835  16.389 -16.920  -5.583
  688    HZ3  LYS 835           HZ3      LYS 835  15.984 -18.421  -6.084
  689    H    THR 836           H        THR 836  16.594 -20.332   1.771
  690    HA   THR 836           HA       THR 836  15.319 -22.693   2.653
  691    HB   THR 836           HB       THR 836  15.457 -23.332   0.240
  692    HG1  THR 836           HG1      THR 836  16.274 -25.352   0.694
  693   HG21  THR 836          HG21      THR 836  18.468 -23.381   0.658
  694   HG22  THR 836          HG22      THR 836  17.597 -22.208  -0.359
  695   HG23  THR 836          HG23      THR 836  17.573 -23.930  -0.780
  696    H    GLY 837           H        GLY 837  16.838 -24.166   3.707
  697    HA2  GLY 837           HA2      GLY 837  19.173 -22.780   4.969
  698    HA3  GLY 837           HA3      GLY 837  18.333 -24.223   5.557
  699    HA   PRO 838           HA       PRO 838  22.138 -25.824   3.420
  700    HB2  PRO 838           HB2      PRO 838  22.928 -27.626   5.312
  701    HB3  PRO 838           HB3      PRO 838  23.294 -25.876   5.441
  702    HG2  PRO 838           HG2      PRO 838  20.987 -27.404   6.717
  703    HG3  PRO 838           HG3      PRO 838  22.140 -26.276   7.512
  704    HD2  PRO 838           HD2      PRO 838  19.679 -25.470   6.676
  705    HD3  PRO 838           HD3      PRO 838  21.106 -24.388   6.555
  706    H    LYS 839           H        LYS 839  22.559 -28.114   2.726
  707    HA   LYS 839           HA       LYS 839  20.184 -29.364   1.747
  708    HB2  LYS 839           HB2      LYS 839  23.047 -30.391   1.909
  709    HB3  LYS 839           HB3      LYS 839  21.742 -31.184   1.020
  710    HG2  LYS 839           HG2      LYS 839  21.425 -29.101  -0.337
  711    HG3  LYS 839           HG3      LYS 839  22.844 -28.393   0.460
  712    HD2  LYS 839           HD2      LYS 839  22.823 -30.958  -1.208
  713    HD3  LYS 839           HD3      LYS 839  23.322 -29.362  -1.786
  714    HE2  LYS 839           HE2      LYS 839  25.127 -29.305  -0.067
  715    HE3  LYS 839           HE3      LYS 839  24.657 -30.923   0.474
  716    HZ1  LYS 839           HZ1      LYS 839  25.203 -31.757  -1.738
  717    HZ2  LYS 839           HZ2      LYS 839  26.507 -31.008  -1.108
  718    HZ3  LYS 839           HZ3      LYS 839  25.623 -30.262  -2.259
  719    H    LEU 840           H        LEU 840  18.914 -30.941   2.457
  720    HA   LEU 840           HA       LEU 840  19.496 -32.713   4.714
  721    HB2  LEU 840           HB2      LEU 840  19.053 -30.477   5.774
  722    HB3  LEU 840           HB3      LEU 840  17.504 -30.409   4.955
  723    HG   LEU 840           HG       LEU 840  16.727 -32.378   6.269
  724   HD11  LEU 840          HD11      LEU 840  18.854 -33.535   6.723
  725   HD12  LEU 840          HD12      LEU 840  18.061 -33.111   8.241
  726   HD13  LEU 840          HD13      LEU 840  19.438 -32.146   7.667
  727   HD21  LEU 840          HD21      LEU 840  17.859 -30.121   7.972
  728   HD22  LEU 840          HD22      LEU 840  16.519 -31.199   8.404
  729   HD23  LEU 840          HD23      LEU 840  16.341 -30.064   7.051
  730    H    GLY 841           H        GLY 841  17.936 -34.346   4.976
  731    HA2  GLY 841           HA2      GLY 841  16.030 -35.629   4.543
  732    HA3  GLY 841           HA3      GLY 841  15.447 -34.398   3.401
  733    H    GLY 842           H        GLY 842  14.841 -36.422   2.262
  734    HA2  GLY 842           HA2      GLY 842  16.503 -36.941  -0.017
  735    HA3  GLY 842           HA3      GLY 842  16.613 -38.298   1.106
  Start of MODEL    2
    1    H1   GLY  -4           H1       GLY  -4  14.530  -6.154  -7.533
    2    H2   GLY  -4           H2       GLY  -4  12.920  -6.245  -7.830
    3    H3   GLY  -4           H3       GLY  -4  13.487  -6.415  -6.299
    4    HA2  GLY  -4           HA2      GLY  -4  13.658  -3.969  -7.928
    5    HA3  GLY  -4           HA3      GLY  -4  12.479  -4.248  -6.630
    6    HA   PRO  -3           HA       PRO  -3  16.381  -2.282  -4.922
    7    HB2  PRO  -3           HB2      PRO  -3  15.457   0.191  -4.244
    8    HB3  PRO  -3           HB3      PRO  -3  15.960  -0.232  -5.904
    9    HG2  PRO  -3           HG2      PRO  -3  13.137  -0.153  -4.788
   10    HG3  PRO  -3           HG3      PRO  -3  13.760   0.546  -6.314
   11    HD2  PRO  -3           HD2      PRO  -3  12.512  -1.902  -6.191
   12    HD3  PRO  -3           HD3      PRO  -3  13.816  -1.544  -7.367
   13    H    MET  -2           H        MET  -2  13.037  -1.986  -3.685
   14    HA   MET  -2           HA       MET  -2  13.241  -3.240  -1.197
   15    HB2  MET  -2           HB2      MET  -2  13.206  -1.317   0.353
   16    HB3  MET  -2           HB3      MET  -2  14.758  -1.517  -0.416
   17    HG2  MET  -2           HG2      MET  -2  14.170   0.314  -2.032
   18    HG3  MET  -2           HG3      MET  -2  12.613   0.492  -1.233
   19    HE1  MET  -2           HE1      MET  -2  16.441   1.135  -1.133
   20    HE2  MET  -2           HE2      MET  -2  16.725   1.717   0.521
   21    HE3  MET  -2           HE3      MET  -2  16.329   0.012   0.245
   22    H    GLY  -1           H        GLY  -1  11.276  -2.560   0.229
   23    HA2  GLY  -1           HA2      GLY  -1   8.876  -2.448  -1.365
   24    HA3  GLY  -1           HA3      GLY  -1   8.967  -2.281   0.402
   25    H    MET 755           H        MET 755   7.870   1.015  -1.224
   26    HA   MET 755           HA       MET 755   6.702  -1.629  -1.018
   27    HB2  MET 755           HB2      MET 755   4.693  -0.521  -1.898
   28    HB3  MET 755           HB3      MET 755   5.390   0.310  -0.531
   29    HG2  MET 755           HG2      MET 755   4.650   1.954  -2.066
   30    HG3  MET 755           HG3      MET 755   6.405   1.997  -2.079
   31    HE1  MET 755           HE1      MET 755   6.398   3.495  -4.206
   32    HE2  MET 755           HE2      MET 755   5.468   3.130  -5.679
   33    HE3  MET 755           HE3      MET 755   4.627   3.510  -4.163
   34    H    GLN 756           H        GLN 756   8.750  -0.429  -3.408
   35    HA   GLN 756           HA       GLN 756   7.372  -1.383  -5.751
   36    HB2  GLN 756           HB2      GLN 756   9.087   0.403  -5.756
   37    HB3  GLN 756           HB3      GLN 756  10.337  -0.791  -5.347
   38    HG2  GLN 756           HG2      GLN 756   9.931  -1.976  -7.463
   39    HG3  GLN 756           HG3      GLN 756   8.561  -0.931  -7.835
   40   HE21  GLN 756          HE21      GLN 756  10.094  -0.854  -9.896
   41   HE22  GLN 756          HE22      GLN 756  11.219   0.494  -9.892
   42    H    SER 757           H        SER 757   9.934  -2.856  -3.685
   43    HA   SER 757           HA       SER 757   9.719  -5.462  -5.034
   44    HB2  SER 757           HB2      SER 757  10.974  -4.691  -2.382
   45    HB3  SER 757           HB3      SER 757  11.096  -6.283  -3.155
   46    HG   SER 757           HG       SER 757  12.935  -5.014  -3.586
   47    H    ILE 758           H        ILE 758   8.420  -7.143  -4.486
   48    HA   ILE 758           HA       ILE 758   6.509  -6.845  -2.203
   49    HB   ILE 758           HB       ILE 758   6.145  -8.428  -4.785
   50   HG12  ILE 758          HG12      ILE 758   6.136  -6.073  -5.385
   51   HG13  ILE 758          HG13      ILE 758   4.531  -6.762  -5.514
   52   HG21  ILE 758          HG21      ILE 758   3.708  -8.445  -4.076
   53   HG22  ILE 758          HG22      ILE 758   4.760  -9.395  -3.041
   54   HG23  ILE 758          HG23      ILE 758   4.203  -7.797  -2.512
   55   HD11  ILE 758          HD11      ILE 758   4.482  -4.507  -4.584
   56   HD12  ILE 758          HD12      ILE 758   3.841  -5.665  -3.428
   57   HD13  ILE 758          HD13      ILE 758   5.480  -5.006  -3.206
   58    H    ARG 759           H        ARG 759   6.002  -8.792  -1.024
   59    HA   ARG 759           HA       ARG 759   8.193 -10.283  -0.174
   60    HB2  ARG 759           HB2      ARG 759   6.578 -11.684   1.021
   61    HB3  ARG 759           HB3      ARG 759   6.255  -9.979   1.218
   62    HG2  ARG 759           HG2      ARG 759   4.728 -11.257  -1.016
   63    HG3  ARG 759           HG3      ARG 759   4.398 -11.934   0.568
   64    HD2  ARG 759           HD2      ARG 759   4.226  -8.967  -0.066
   65    HD3  ARG 759           HD3      ARG 759   2.851 -10.087  -0.143
   66    HE   ARG 759           HE       ARG 759   3.713 -10.555   2.360
   67   HH11  ARG 759          HH11      ARG 759   2.930  -7.476   0.764
   68   HH12  ARG 759          HH12      ARG 759   2.488  -6.720   2.259
   69   HH21  ARG 759          HH21      ARG 759   3.175  -9.481   4.252
   70   HH22  ARG 759          HH22      ARG 759   2.625  -7.835   4.196
   71    H    GLU 760           H        GLU 760   6.204 -11.047  -2.915
   72    HA   GLU 760           HA       GLU 760   6.589 -13.914  -2.878
   73    HB2  GLU 760           HB2      GLU 760   5.368 -13.888  -4.958
   74    HB3  GLU 760           HB3      GLU 760   4.559 -12.958  -3.706
   75    HG2  GLU 760           HG2      GLU 760   5.474 -10.847  -4.767
   76    HG3  GLU 760           HG3      GLU 760   6.155 -11.836  -6.056
   77    H    GLN 761           H        GLN 761   7.503 -15.153  -4.734
   78    HA   GLN 761           HA       GLN 761   9.819 -13.917  -6.087
   79    HB2  GLN 761           HB2      GLN 761  11.434 -15.401  -5.000
   80    HB3  GLN 761           HB3      GLN 761  10.644 -14.353  -3.831
   81    HG2  GLN 761           HG2      GLN 761   9.075 -16.294  -3.260
   82    HG3  GLN 761           HG3      GLN 761  10.052 -17.312  -4.330
   83   HE21  GLN 761          HE21      GLN 761  10.388 -15.063  -1.513
   84   HE22  GLN 761          HE22      GLN 761  11.678 -15.985  -0.749
   85    H    SER 762           H        SER 762  10.594 -15.033  -7.847
   86    HA   SER 762           HA       SER 762   8.723 -16.849  -9.059
   87    HB2  SER 762           HB2      SER 762  10.298 -16.670 -11.005
   88    HB3  SER 762           HB3      SER 762   9.608 -15.156 -10.407
   89    HG   SER 762           HG       SER 762  12.256 -16.166  -9.888
   90    H    CYS 763           H        CYS 763   8.968 -18.912  -9.779
   91    HA   CYS 763           HA       CYS 763  11.358 -20.562  -9.246
   92    HB2  CYS 763           HB2      CYS 763   8.777 -20.743  -7.666
   93    HB3  CYS 763           HB3      CYS 763   9.641 -22.232  -8.052
   94    HG   CYS 763           HG       CYS 763  11.129 -19.553  -6.812
   95    H    ARG 764           H        ARG 764  11.094 -22.781 -10.121
   96    HA   ARG 764           HA       ARG 764   9.396 -22.907 -12.513
   97    HB2  ARG 764           HB2      ARG 764  11.787 -23.927 -12.202
   98    HB3  ARG 764           HB3      ARG 764  10.945 -25.251 -11.392
   99    HG2  ARG 764           HG2      ARG 764   9.504 -25.487 -13.488
  100    HG3  ARG 764           HG3      ARG 764  10.469 -24.205 -14.223
  101    HD2  ARG 764           HD2      ARG 764  11.327 -26.246 -15.046
  102    HD3  ARG 764           HD3      ARG 764  12.520 -25.650 -13.882
  103    HE   ARG 764           HE       ARG 764  10.705 -27.373 -12.523
  104   HH11  ARG 764          HH11      ARG 764  13.272 -27.658 -14.932
  105   HH12  ARG 764          HH12      ARG 764  13.550 -29.336 -14.566
  106   HH21  ARG 764          HH21      ARG 764  11.077 -29.544 -12.131
  107   HH22  ARG 764          HH22      ARG 764  12.354 -30.380 -12.976
  108    H    VAL 765           H        VAL 765   7.582 -24.168 -12.734
  109    HA   VAL 765           HA       VAL 765   6.361 -25.548 -10.377
  110    HB   VAL 765           HB       VAL 765   4.186 -24.418 -10.931
  111   HG11  VAL 765          HG11      VAL 765   5.515 -23.679  -8.988
  112   HG12  VAL 765          HG12      VAL 765   6.390 -22.511 -10.005
  113   HG13  VAL 765          HG13      VAL 765   4.649 -22.332  -9.743
  114   HG21  VAL 765          HG21      VAL 765   5.875 -22.410 -12.478
  115   HG22  VAL 765          HG22      VAL 765   4.812 -23.615 -13.223
  116   HG23  VAL 765          HG23      VAL 765   4.127 -22.349 -12.191
  117    H    VAL 766           H        VAL 766   4.514 -26.860 -10.918
  118    HA   VAL 766           HA       VAL 766   4.617 -27.970 -13.713
  119    HB   VAL 766           HB       VAL 766   5.898 -29.389 -12.191
  120   HG11  VAL 766          HG11      VAL 766   3.332 -29.765 -10.593
  121   HG12  VAL 766          HG12      VAL 766   4.816 -30.678 -10.419
  122   HG13  VAL 766          HG13      VAL 766   4.828 -28.962 -10.047
  123   HG21  VAL 766          HG21      VAL 766   4.684 -30.452 -14.066
  124   HG22  VAL 766          HG22      VAL 766   4.926 -31.534 -12.682
  125   HG23  VAL 766          HG23      VAL 766   3.343 -30.824 -12.957
  126    H    THR 767           H        THR 767   2.731 -28.639 -14.602
  127    HA   THR 767           HA       THR 767   0.212 -28.543 -12.960
  128    HB   THR 767           HB       THR 767   0.488 -28.061 -15.945
  129    HG1  THR 767           HG1      THR 767   0.027 -25.932 -15.386
  130   HG21  THR 767          HG21      THR 767  -1.892 -27.342 -15.768
  131   HG22  THR 767          HG22      THR 767  -1.916 -27.825 -14.060
  132   HG23  THR 767          HG23      THR 767  -1.709 -29.048 -15.327
  133    H    CYS 768           H        CYS 768  -0.511 -30.507 -12.551
  134    HA   CYS 768           HA       CYS 768   0.117 -32.854 -14.230
  135    HB2  CYS 768           HB2      CYS 768  -0.039 -33.078 -11.751
  136    HB3  CYS 768           HB3      CYS 768  -1.744 -32.598 -11.841
  137    H    LYS 769           H        LYS 769  -0.931 -33.244 -16.007
  138    HA   LYS 769           HA       LYS 769  -3.367 -31.767 -16.775
  139    HB2  LYS 769           HB2      LYS 769  -1.762 -33.927 -18.222
  140    HB3  LYS 769           HB3      LYS 769  -3.039 -32.947 -18.932
  141    HG2  LYS 769           HG2      LYS 769  -0.345 -31.919 -17.911
  142    HG3  LYS 769           HG3      LYS 769  -0.827 -32.149 -19.599
  143    HD2  LYS 769           HD2      LYS 769  -2.641 -30.451 -19.283
  144    HD3  LYS 769           HD3      LYS 769  -2.040 -30.164 -17.632
  145    HE2  LYS 769           HE2      LYS 769   0.127 -29.449 -18.491
  146    HE3  LYS 769           HE3      LYS 769  -0.339 -29.853 -20.152
  147    HZ1  LYS 769           HZ1      LYS 769  -0.582 -27.480 -19.738
  148    HZ2  LYS 769           HZ2      LYS 769  -1.613 -27.736 -18.506
  149    HZ3  LYS 769           HZ3      LYS 769  -2.045 -28.132 -20.036
  150    H    THR 770           H        THR 770  -2.592 -34.873 -15.421
  151    HA   THR 770           HA       THR 770  -5.091 -36.182 -16.143
  152    HB   THR 770           HB       THR 770  -3.056 -36.926 -14.004
  153    HG1  THR 770           HG1      THR 770  -3.311 -37.735 -16.731
  154   HG21  THR 770          HG21      THR 770  -5.134 -38.176 -13.732
  155   HG22  THR 770          HG22      THR 770  -3.903 -39.235 -14.444
  156   HG23  THR 770          HG23      THR 770  -5.178 -38.558 -15.473
  157    H    CYS 771           H        CYS 771  -3.886 -34.656 -13.062
  158    HA   CYS 771           HA       CYS 771  -6.582 -34.925 -11.888
  159    HB2  CYS 771           HB2      CYS 771  -3.985 -33.797 -10.803
  160    HB3  CYS 771           HB3      CYS 771  -5.452 -34.053  -9.869
  161    H    LYS 772           H        LYS 772  -4.758 -32.496 -13.537
  162    HA   LYS 772           HA       LYS 772  -5.147 -30.412 -14.208
  163    HB2  LYS 772           HB2      LYS 772  -7.965 -30.601 -13.085
  164    HB3  LYS 772           HB3      LYS 772  -7.347 -29.413 -14.212
  165    HG2  LYS 772           HG2      LYS 772  -8.080 -30.700 -15.855
  166    HG3  LYS 772           HG3      LYS 772  -6.696 -31.746 -15.547
  167    HD2  LYS 772           HD2      LYS 772  -8.161 -33.126 -14.008
  168    HD3  LYS 772           HD3      LYS 772  -9.491 -32.016 -14.352
  169    HE2  LYS 772           HE2      LYS 772  -9.863 -33.886 -15.747
  170    HE3  LYS 772           HE3      LYS 772  -9.275 -32.597 -16.806
  171    HZ1  LYS 772           HZ1      LYS 772  -7.639 -34.827 -15.718
  172    HZ2  LYS 772           HZ2      LYS 772  -7.066 -33.677 -16.734
  173    HZ3  LYS 772           HZ3      LYS 772  -8.203 -34.739 -17.253
  174    H    TYR 773           H        TYR 773  -3.991 -30.889 -11.533
  175    HA   TYR 773           HA       TYR 773  -4.524 -28.232 -10.260
  176    HB2  TYR 773           HB2      TYR 773  -3.494 -28.950  -8.306
  177    HB3  TYR 773           HB3      TYR 773  -4.650 -30.180  -8.732
  178    HD1  TYR 773           HD1      TYR 773  -1.019 -29.315  -8.682
  179    HD2  TYR 773           HD2      TYR 773  -3.932 -32.470  -8.964
  180    HE1  TYR 773           HE1      TYR 773   0.794 -30.997  -8.389
  181    HE2  TYR 773           HE2      TYR 773  -2.144 -34.147  -8.560
  182    HH   TYR 773           HH       TYR 773   0.143 -34.522  -8.369
  183    H    THR 774           H        THR 774  -2.793 -26.895  -9.633
  184    HA   THR 774           HA       THR 774  -0.219 -27.163 -11.144
  185    HB   THR 774           HB       THR 774  -1.533 -24.590 -10.204
  186    HG1  THR 774           HG1      THR 774  -2.067 -24.335 -12.407
  187   HG21  THR 774          HG21      THR 774   0.822 -25.176 -12.070
  188   HG22  THR 774          HG22      THR 774   0.894 -24.384 -10.485
  189   HG23  THR 774          HG23      THR 774   0.091 -23.570 -11.832
  190    H    HIS 775           H        HIS 775   1.646 -26.996  -9.942
  191    HA   HIS 775           HA       HIS 775   1.663 -26.091  -7.173
  192    HB2  HIS 775           HB2      HIS 775   0.844 -28.706  -7.521
  193    HB3  HIS 775           HB3      HIS 775   2.563 -28.940  -7.345
  194    HD1  HIS 775           HD1      HIS 775   3.390 -28.841  -4.789
  195    HD2  HIS 775           HD2      HIS 775  -0.505 -27.395  -5.514
  196    HE1  HIS 775           HE1      HIS 775   2.365 -28.382  -2.508
  197    H    PHE 776           H        PHE 776   3.872 -26.581  -6.124
  198    HA   PHE 776           HA       PHE 776   5.971 -25.567  -7.781
  199    HB2  PHE 776           HB2      PHE 776   6.398 -27.013  -5.156
  200    HB3  PHE 776           HB3      PHE 776   7.304 -25.661  -5.828
  201    HD1  PHE 776           HD2      PHE 776   5.905 -23.388  -6.116
  202    HD2  PHE 776           HD1      PHE 776   4.784 -26.641  -3.503
  203    HE1  PHE 776           HE2      PHE 776   4.416 -21.874  -4.835
  204    HE2  PHE 776           HE1      PHE 776   3.309 -25.117  -2.240
  205    HZ   PHE 776           HZ       PHE 776   3.119 -22.725  -2.911
  206    H    LYS 777           H        LYS 777   5.030 -28.866  -6.983
  207    HA   LYS 777           HA       LYS 777   6.810 -30.092  -8.903
  208    HB2  LYS 777           HB2      LYS 777   8.102 -31.416  -7.286
  209    HB3  LYS 777           HB3      LYS 777   8.396 -29.703  -7.066
  210    HG2  LYS 777           HG2      LYS 777   6.756 -29.694  -5.140
  211    HG3  LYS 777           HG3      LYS 777   6.577 -31.451  -5.339
  212    HD2  LYS 777           HD2      LYS 777   9.026 -31.711  -4.998
  213    HD3  LYS 777           HD3      LYS 777   9.161 -29.948  -4.772
  214    HE2  LYS 777           HE2      LYS 777   7.614 -30.086  -2.823
  215    HE3  LYS 777           HE3      LYS 777   7.485 -31.832  -3.040
  216    HZ1  LYS 777           HZ1      LYS 777   9.869 -32.005  -2.590
  217    HZ2  LYS 777           HZ2      LYS 777   9.114 -31.276  -1.339
  218    HZ3  LYS 777           HZ3      LYS 777   9.994 -30.389  -2.398
  219    HA   PRO 778           HA       PRO 778   3.508 -33.002  -8.757
  220    HB2  PRO 778           HB2      PRO 778   4.487 -35.215  -9.973
  221    HB3  PRO 778           HB3      PRO 778   4.337 -33.652 -10.833
  222    HG2  PRO 778           HG2      PRO 778   6.804 -34.821  -9.530
  223    HG3  PRO 778           HG3      PRO 778   6.647 -34.112 -11.170
  224    HD2  PRO 778           HD2      PRO 778   7.572 -32.696  -9.021
  225    HD3  PRO 778           HD3      PRO 778   6.631 -31.924 -10.334
  226    H    LYS 779           H        LYS 779   2.613 -34.832  -7.674
  227    HA   LYS 779           HA       LYS 779   3.932 -35.575  -5.199
  228    HB2  LYS 779           HB2      LYS 779   1.374 -36.507  -6.550
  229    HB3  LYS 779           HB3      LYS 779   1.910 -37.085  -4.958
  230    HG2  LYS 779           HG2      LYS 779   1.978 -34.737  -4.146
  231    HG3  LYS 779           HG3      LYS 779   1.244 -34.204  -5.653
  232    HD2  LYS 779           HD2      LYS 779   0.001 -36.206  -3.696
  233    HD3  LYS 779           HD3      LYS 779  -0.321 -34.489  -3.697
  234    HE2  LYS 779           HE2      LYS 779  -2.156 -35.466  -4.762
  235    HE3  LYS 779           HE3      LYS 779  -1.245 -34.661  -6.032
  236    HZ1  LYS 779           HZ1      LYS 779  -0.901 -37.562  -5.504
  237    HZ2  LYS 779           HZ2      LYS 779  -0.553 -36.739  -6.885
  238    HZ3  LYS 779           HZ3      LYS 779  -2.099 -37.007  -6.472
  239    H    GLU 780           H        GLU 780   4.492 -37.612  -4.467
  240    HA   GLU 780           HA       GLU 780   5.892 -39.393  -6.206
  241    HB2  GLU 780           HB2      GLU 780   4.722 -39.886  -3.414
  242    HB3  GLU 780           HB3      GLU 780   5.828 -40.952  -4.257
  243    HG2  GLU 780           HG2      GLU 780   7.165 -39.773  -2.745
  244    HG3  GLU 780           HG3      GLU 780   7.540 -39.153  -4.347
  245    H    THR 781           H        THR 781   2.507 -39.424  -5.051
  246    HA   THR 781           HA       THR 781   1.810 -41.949  -6.263
  247    HB   THR 781           HB       THR 781  -0.571 -41.034  -5.963
  248    HG1  THR 781           HG1      THR 781  -0.448 -39.297  -4.295
  249   HG21  THR 781          HG21      THR 781  -0.492 -41.389  -3.529
  250   HG22  THR 781          HG22      THR 781   1.272 -41.139  -3.516
  251   HG23  THR 781          HG23      THR 781   0.558 -42.548  -4.345
  252    H    CYS 782           H        CYS 782   1.687 -38.585  -7.451
  253    HA   CYS 782           HA       CYS 782   0.398 -39.235  -9.943
  254    HB2  CYS 782           HB2      CYS 782   2.150 -36.898  -9.046
  255    HB3  CYS 782           HB3      CYS 782   1.449 -37.026 -10.649
  256    H    VAL 783           H        VAL 783   3.829 -39.004  -9.004
  257    HA   VAL 783           HA       VAL 783   4.915 -39.765 -11.559
  258    HB   VAL 783           HB       VAL 783   6.072 -39.967  -8.762
  259   HG11  VAL 783          HG11      VAL 783   7.491 -40.452 -11.418
  260   HG12  VAL 783          HG12      VAL 783   8.298 -40.209  -9.852
  261   HG13  VAL 783          HG13      VAL 783   7.278 -41.622 -10.100
  262   HG21  VAL 783          HG21      VAL 783   5.663 -37.654  -9.660
  263   HG22  VAL 783          HG22      VAL 783   7.378 -38.007  -9.424
  264   HG23  VAL 783          HG23      VAL 783   6.670 -38.041 -11.054
  265    H    SER 784           H        SER 784   4.057 -41.778  -8.680
  266    HA   SER 784           HA       SER 784   4.908 -44.256  -9.829
  267    HB2  SER 784           HB2      SER 784   4.609 -43.765  -7.397
  268    HB3  SER 784           HB3      SER 784   2.858 -43.758  -7.636
  269    HG   SER 784           HG       SER 784   3.687 -45.816  -6.901
  270    H    GLU 785           H        GLU 785   1.670 -42.701  -9.839
  271    HA   GLU 785           HA       GLU 785   0.432 -44.905 -11.317
  272    HB2  GLU 785           HB2      GLU 785  -0.535 -42.124 -10.562
  273    HB3  GLU 785           HB3      GLU 785  -1.526 -43.315 -11.393
  274    HG2  GLU 785           HG2      GLU 785  -0.298 -43.785  -8.645
  275    HG3  GLU 785           HG3      GLU 785  -1.930 -43.196  -8.935
  276    H    ASN 786           H        ASN 786   2.575 -42.568 -12.310
  277    HA   ASN 786           HA       ASN 786   3.343 -41.892 -14.300
  278    HB2  ASN 786           HB2      ASN 786   1.563 -44.026 -15.545
  279    HB3  ASN 786           HB3      ASN 786   2.968 -43.262 -16.274
  280   HD21  ASN 786          HD21      ASN 786   1.927 -45.905 -14.357
  281   HD22  ASN 786          HD22      ASN 786   3.521 -46.457 -13.864
  282    H    HIS 787           H        HIS 787   1.285 -40.326 -13.255
  283    HA   HIS 787           HA       HIS 787  -0.665 -39.483 -15.220
  284    HB2  HIS 787           HB2      HIS 787   0.615 -38.076 -12.846
  285    HB3  HIS 787           HB3      HIS 787  -0.640 -37.363 -13.865
  286    HD2  HIS 787           HD2      HIS 787  -1.423 -40.988 -13.376
  287    HE1  HIS 787           HE1      HIS 787  -3.634 -39.038 -10.321
  288    HE2  HIS 787           HE2      HIS 787  -3.298 -41.223 -11.590
  289    H    ASP 788           H        ASP 788  -0.671 -37.637 -16.532
  290    HA   ASP 788           HA       ASP 788   1.958 -36.982 -17.776
  291    HB2  ASP 788           HB2      ASP 788  -0.923 -36.391 -18.567
  292    HB3  ASP 788           HB3      ASP 788   0.486 -35.727 -19.400
  293    H    PHE 789           H        PHE 789   2.947 -35.018 -17.576
  294    HA   PHE 789           HA       PHE 789   1.458 -32.714 -16.553
  295    HB2  PHE 789           HB2      PHE 789   3.756 -32.450 -15.028
  296    HB3  PHE 789           HB3      PHE 789   2.189 -32.855 -14.430
  297    HD1  PHE 789           HD1      PHE 789   5.529 -34.188 -15.315
  298    HD2  PHE 789           HD2      PHE 789   1.694 -35.019 -13.532
  299    HE1  PHE 789           HE1      PHE 789   6.472 -36.212 -14.220
  300    HE2  PHE 789           HE2      PHE 789   2.636 -37.022 -12.431
  301    HZ   PHE 789           HZ       PHE 789   5.015 -37.646 -12.800
  302    H    HIS 790           H        HIS 790   2.531 -30.738 -16.569
  303    HA   HIS 790           HA       HIS 790   4.811 -30.551 -18.499
  304    HB2  HIS 790           HB2      HIS 790   2.276 -30.020 -19.305
  305    HB3  HIS 790           HB3      HIS 790   2.667 -28.443 -18.614
  306    HD1  HIS 790           HD1      HIS 790   4.810 -27.160 -19.891
  307    HD2  HIS 790           HD2      HIS 790   3.469 -30.829 -21.440
  308    HE1  HIS 790           HE1      HIS 790   5.861 -27.365 -22.201
  309    H    TRP 791           H        TRP 791   6.391 -29.196 -17.881
  310    HA   TRP 791           HA       TRP 791   6.061 -27.607 -15.399
  311    HB2  TRP 791           HB2      TRP 791   8.504 -28.450 -17.002
  312    HB3  TRP 791           HB3      TRP 791   8.569 -27.384 -15.608
  313    HD1  TRP 791           HD1      TRP 791   7.968 -31.044 -16.517
  314    HE1  TRP 791           HE1      TRP 791   8.289 -32.505 -14.442
  315    HE3  TRP 791           HE3      TRP 791   8.329 -27.357 -12.984
  316    HZ2  TRP 791           HZ2      TRP 791   8.848 -32.118 -11.625
  317    HZ3  TRP 791           HZ3      TRP 791   8.803 -27.928 -10.622
  318    HH2  TRP 791           HH2      TRP 791   9.085 -30.298  -9.928
  319    H    HIS 792           H        HIS 792   6.723 -25.459 -15.247
  320    HA   HIS 792           HA       HIS 792   7.621 -23.829 -17.436
  321    HB2  HIS 792           HB2      HIS 792   5.705 -22.382 -17.687
  322    HB3  HIS 792           HB3      HIS 792   5.205 -24.014 -18.055
  323    HD1  HIS 792           HD1      HIS 792   4.304 -21.133 -15.845
  324    HD2  HIS 792           HD2      HIS 792   3.719 -25.301 -15.978
  325    HE1  HIS 792           HE1      HIS 792   2.265 -21.621 -14.399
  326    H    ASN 793           H        ASN 793   7.407 -21.349 -16.609
  327    HA   ASN 793           HA       ASN 793   8.395 -21.307 -13.804
  328    HB2  ASN 793           HB2      ASN 793   8.511 -19.263 -16.038
  329    HB3  ASN 793           HB3      ASN 793   9.053 -18.966 -14.386
  330   HD21  ASN 793          HD21      ASN 793  10.734 -20.541 -13.481
  331   HD22  ASN 793          HD22      ASN 793  11.935 -21.123 -14.630
  332    H    GLY 794           H        GLY 794   7.537 -20.054 -12.228
  333    HA2  GLY 794           HA2      GLY 794   5.049 -18.475 -12.580
  334    HA3  GLY 794           HA3      GLY 794   4.970 -19.899 -11.542
  335    H    VAL 795           H        VAL 795   4.433 -18.362  -9.850
  336    HA   VAL 795           HA       VAL 795   6.779 -17.391  -8.377
  337    HB   VAL 795           HB       VAL 795   6.343 -15.447  -9.686
  338   HG11  VAL 795          HG11      VAL 795   4.224 -14.227  -9.723
  339   HG12  VAL 795          HG12      VAL 795   4.014 -15.841 -10.403
  340   HG13  VAL 795          HG13      VAL 795   3.438 -15.480  -8.756
  341   HG21  VAL 795          HG21      VAL 795   5.106 -14.917  -6.963
  342   HG22  VAL 795          HG22      VAL 795   6.837 -15.091  -7.269
  343   HG23  VAL 795          HG23      VAL 795   5.940 -13.759  -8.014
  344    H    LYS 796           H        LYS 796   6.581 -17.532  -6.241
  345    HA   LYS 796           HA       LYS 796   3.997 -18.617  -5.182
  346    HB2  LYS 796           HB2      LYS 796   5.262 -19.953  -3.720
  347    HB3  LYS 796           HB3      LYS 796   6.004 -20.089  -5.313
  348    HG2  LYS 796           HG2      LYS 796   7.501 -18.033  -4.267
  349    HG3  LYS 796           HG3      LYS 796   7.092 -18.884  -2.788
  350    HD2  LYS 796           HD2      LYS 796   8.405 -20.039  -5.276
  351    HD3  LYS 796           HD3      LYS 796   9.238 -19.606  -3.779
  352    HE2  LYS 796           HE2      LYS 796   7.864 -21.306  -2.531
  353    HE3  LYS 796           HE3      LYS 796   7.098 -21.780  -4.054
  354    HZ1  LYS 796           HZ1      LYS 796   9.290 -22.445  -4.866
  355    HZ2  LYS 796           HZ2      LYS 796   8.938 -23.247  -3.494
  356    HZ3  LYS 796           HZ3      LYS 796   9.993 -22.000  -3.462
  357    H    ARG 797           H        ARG 797   3.215 -18.089  -3.226
  358    HA   ARG 797           HA       ARG 797   4.046 -15.508  -1.973
  359    HB2  ARG 797           HB2      ARG 797   1.174 -16.230  -2.611
  360    HB3  ARG 797           HB3      ARG 797   1.861 -14.651  -2.211
  361    HG2  ARG 797           HG2      ARG 797   3.036 -14.715  -4.487
  362    HG3  ARG 797           HG3      ARG 797   2.198 -16.241  -4.797
  363    HD2  ARG 797           HD2      ARG 797   0.050 -14.841  -4.192
  364    HD3  ARG 797           HD3      ARG 797   1.059 -13.461  -4.627
  365    HE   ARG 797           HE       ARG 797   0.403 -15.834  -6.369
  366   HH11  ARG 797          HH11      ARG 797   1.495 -12.459  -6.362
  367   HH12  ARG 797          HH12      ARG 797   0.995 -12.231  -8.014
  368   HH21  ARG 797          HH21      ARG 797   0.063 -15.558  -8.456
  369   HH22  ARG 797          HH22      ARG 797   0.225 -13.984  -9.217
  370    H    PHE 798           H        PHE 798   3.589 -15.351   0.226
  371    HA   PHE 798           HA       PHE 798   3.171 -17.972   1.558
  372    HB2  PHE 798           HB2      PHE 798   4.452 -15.435   2.641
  373    HB3  PHE 798           HB3      PHE 798   4.568 -17.064   3.299
  374    HD1  PHE 798           HD1      PHE 798   5.619 -18.889   1.659
  375    HD2  PHE 798           HD2      PHE 798   6.151 -14.629   1.206
  376    HE1  PHE 798           HE1      PHE 798   7.577 -19.291   0.187
  377    HE2  PHE 798           HE2      PHE 798   8.117 -15.048  -0.239
  378    HZ   PHE 798           HZ       PHE 798   8.848 -17.371  -0.733
  379    H    PHE 799           H        PHE 799   1.631 -18.347   3.107
  380    HA   PHE 799           HA       PHE 799  -0.081 -16.068   4.003
  381    HB2  PHE 799           HB2      PHE 799  -1.074 -18.781   3.081
  382    HB3  PHE 799           HB3      PHE 799  -2.053 -17.419   3.628
  383    HD1  PHE 799           HD2      PHE 799  -2.460 -15.493   2.199
  384    HD2  PHE 799           HD1      PHE 799  -0.049 -18.787   0.831
  385    HE1  PHE 799           HE2      PHE 799  -2.591 -14.621  -0.119
  386    HE2  PHE 799           HE1      PHE 799  -0.199 -17.922  -1.501
  387    HZ   PHE 799           HZ       PHE 799  -1.441 -15.831  -1.973
  388    H    LYS 800           H        LYS 800  -1.258 -16.308   5.861
  389    HA   LYS 800           HA       LYS 800  -0.642 -18.575   7.700
  390    HB2  LYS 800           HB2      LYS 800   0.895 -16.716   8.193
  391    HB3  LYS 800           HB3      LYS 800  -0.459 -15.593   8.327
  392    HG2  LYS 800           HG2      LYS 800  -1.304 -16.728  10.306
  393    HG3  LYS 800           HG3      LYS 800  -0.096 -18.018  10.146
  394    HD2  LYS 800           HD2      LYS 800   1.718 -16.363  10.518
  395    HD3  LYS 800           HD3      LYS 800   0.499 -15.076  10.657
  396    HE2  LYS 800           HE2      LYS 800  -0.532 -16.288  12.575
  397    HE3  LYS 800           HE3      LYS 800   0.705 -17.537  12.451
  398    HZ1  LYS 800           HZ1      LYS 800   1.224 -14.686  13.071
  399    HZ2  LYS 800           HZ2      LYS 800   2.385 -15.835  12.943
  400    HZ3  LYS 800           HZ3      LYS 800   1.282 -15.920  14.142
  401    H    CYS 801           H        CYS 801  -2.245 -19.171   9.042
  402    HA   CYS 801           HA       CYS 801  -4.960 -17.947   8.789
  403    HB2  CYS 801           HB2      CYS 801  -4.566 -20.374   8.198
  404    HB3  CYS 801           HB3      CYS 801  -4.000 -20.636   9.854
  405    HA   PRO 802           HA       PRO 802  -4.428 -16.232  12.842
  406    HB2  PRO 802           HB2      PRO 802  -7.030 -16.343  13.886
  407    HB3  PRO 802           HB3      PRO 802  -6.380 -15.115  12.766
  408    HG2  PRO 802           HG2      PRO 802  -7.948 -17.627  12.098
  409    HG3  PRO 802           HG3      PRO 802  -8.191 -15.961  11.475
  410    HD2  PRO 802           HD2      PRO 802  -6.858 -17.724  10.000
  411    HD3  PRO 802           HD3      PRO 802  -6.207 -16.079  10.154
  412    H    CYS 803           H        CYS 803  -5.566 -19.581  12.701
  413    HA   CYS 803           HA       CYS 803  -5.251 -20.049  15.558
  414    HB2  CYS 803           HB2      CYS 803  -5.612 -22.352  15.015
  415    HB3  CYS 803           HB3      CYS 803  -6.779 -21.381  14.118
  416    H    GLY 804           H        GLY 804  -3.033 -19.584  13.025
  417    HA2  GLY 804           HA2      GLY 804  -0.681 -19.377  13.458
  418    HA3  GLY 804           HA3      GLY 804  -0.743 -20.765  14.557
  419    H    ASN 805           H        ASN 805  -2.610 -21.821  12.084
  420    HA   ASN 805           HA       ASN 805  -0.577 -23.433  10.871
  421    HB2  ASN 805           HB2      ASN 805  -3.006 -24.026  11.119
  422    HB3  ASN 805           HB3      ASN 805  -3.372 -22.859   9.841
  423   HD21  ASN 805          HD21      ASN 805  -4.336 -24.715   8.668
  424   HD22  ASN 805          HD22      ASN 805  -3.239 -25.789   7.795
  425    H    ARG 806           H        ARG 806   0.162 -23.466   8.674
  426    HA   ARG 806           HA       ARG 806   0.375 -20.785   7.323
  427    HB2  ARG 806           HB2      ARG 806   2.578 -22.816   7.921
  428    HB3  ARG 806           HB3      ARG 806   2.781 -21.422   6.890
  429    HG2  ARG 806           HG2      ARG 806   2.146 -21.365   9.875
  430    HG3  ARG 806           HG3      ARG 806   3.714 -21.062   9.143
  431    HD2  ARG 806           HD2      ARG 806   1.200 -19.370   8.894
  432    HD3  ARG 806           HD3      ARG 806   2.666 -18.942   9.759
  433    HE   ARG 806           HE       ARG 806   2.150 -18.787   6.879
  434   HH11  ARG 806          HH11      ARG 806   4.791 -18.823   9.253
  435   HH12  ARG 806          HH12      ARG 806   5.933 -18.184   8.109
  436   HH21  ARG 806          HH21      ARG 806   3.659 -17.974   5.487
  437   HH22  ARG 806          HH22      ARG 806   5.296 -17.680   6.010
  438    H    THR 807           H        THR 807   0.869 -20.847   5.094
  439    HA   THR 807           HA       THR 807   1.245 -23.291   3.633
  440    HB   THR 807           HB       THR 807  -1.279 -23.306   4.043
  441    HG1  THR 807           HG1      THR 807  -0.310 -24.530   2.464
  442   HG21  THR 807          HG21      THR 807  -1.693 -20.882   3.596
  443   HG22  THR 807          HG22      THR 807  -2.691 -21.969   2.627
  444   HG23  THR 807          HG23      THR 807  -1.302 -21.147   1.883
  445    H    ILE 808           H        ILE 808   1.055 -22.811   1.212
  446    HA   ILE 808           HA       ILE 808   2.120 -20.157   0.446
  447    HB   ILE 808           HB       ILE 808   3.631 -22.693  -0.286
  448   HG12  ILE 808          HG12      ILE 808   4.333 -20.744   1.946
  449   HG13  ILE 808          HG13      ILE 808   3.934 -22.451   2.128
  450   HG21  ILE 808          HG21      ILE 808   4.482 -19.763  -0.460
  451   HG22  ILE 808          HG22      ILE 808   5.336 -21.164  -1.133
  452   HG23  ILE 808          HG23      ILE 808   3.803 -20.678  -1.821
  453   HD11  ILE 808          HD11      ILE 808   5.964 -23.051   0.803
  454   HD12  ILE 808          HD12      ILE 808   6.442 -21.333   0.852
  455   HD13  ILE 808          HD13      ILE 808   6.280 -22.249   2.359
  456    H    SER 809           H        SER 809   1.592 -19.687  -1.719
  457    HA   SER 809           HA       SER 809   0.629 -21.812  -3.528
  458    HB2  SER 809           HB2      SER 809  -1.339 -21.274  -2.060
  459    HB3  SER 809           HB3      SER 809  -1.298 -19.613  -2.693
  460    HG   SER 809           HG       SER 809  -2.765 -21.088  -3.827
  461    H    LEU 810           H        LEU 810  -0.076 -20.996  -5.571
  462    HA   LEU 810           HA       LEU 810   1.827 -18.990  -6.614
  463    HB2  LEU 810           HB2      LEU 810  -0.027 -20.977  -8.006
  464    HB3  LEU 810           HB3      LEU 810   1.185 -19.988  -8.787
  465    HG   LEU 810           HG       LEU 810   2.033 -22.156  -8.687
  466   HD11  LEU 810          HD11      LEU 810   3.702 -20.434  -8.278
  467   HD12  LEU 810          HD12      LEU 810   4.130 -21.936  -7.425
  468   HD13  LEU 810          HD13      LEU 810   3.447 -20.579  -6.522
  469   HD21  LEU 810          HD21      LEU 810   0.630 -23.080  -6.839
  470   HD22  LEU 810          HD22      LEU 810   1.818 -22.410  -5.689
  471   HD23  LEU 810          HD23      LEU 810   2.324 -23.614  -6.868
  472    H    ASP 811           H        ASP 811  -1.556 -19.342  -5.977
  473    HA   ASP 811           HA       ASP 811  -2.401 -17.019  -7.594
  474    HB2  ASP 811           HB2      ASP 811  -3.837 -18.849  -5.637
  475    HB3  ASP 811           HB3      ASP 811  -4.594 -17.452  -6.391
  476    H    ARG 812           H        ARG 812  -3.455 -15.178  -6.609
  477    HA   ARG 812           HA       ARG 812  -1.946 -13.845  -4.609
  478    HB2  ARG 812           HB2      ARG 812  -3.635 -12.097  -4.765
  479    HB3  ARG 812           HB3      ARG 812  -3.157 -12.680  -6.361
  480    HG2  ARG 812           HG2      ARG 812  -5.222 -14.063  -6.484
  481    HG3  ARG 812           HG3      ARG 812  -5.728 -13.445  -4.898
  482    HD2  ARG 812           HD2      ARG 812  -5.818 -11.165  -5.772
  483    HD3  ARG 812           HD3      ARG 812  -5.187 -11.718  -7.339
  484    HE   ARG 812           HE       ARG 812  -7.589 -13.145  -6.594
  485   HH11  ARG 812          HH11      ARG 812  -6.567 -10.054  -7.990
  486   HH12  ARG 812          HH12      ARG 812  -8.067  -9.861  -8.859
  487   HH21  ARG 812          HH21      ARG 812  -9.492 -12.824  -7.723
  488   HH22  ARG 812          HH22      ARG 812  -9.696 -11.402  -8.699
  489    H    LEU 813           H        LEU 813  -4.496 -16.090  -4.199
  490    HA   LEU 813           HA       LEU 813  -4.272 -16.039  -1.304
  491    HB2  LEU 813           HB2      LEU 813  -6.123 -14.349  -1.938
  492    HB3  LEU 813           HB3      LEU 813  -7.004 -15.696  -2.629
  493    HG   LEU 813           HG       LEU 813  -6.962 -16.774  -0.295
  494   HD11  LEU 813          HD11      LEU 813  -5.100 -15.395   0.677
  495   HD12  LEU 813          HD12      LEU 813  -6.594 -15.257   1.614
  496   HD13  LEU 813          HD13      LEU 813  -6.107 -13.954   0.520
  497   HD21  LEU 813          HD21      LEU 813  -8.372 -14.093  -0.653
  498   HD22  LEU 813          HD22      LEU 813  -8.802 -15.367   0.524
  499   HD23  LEU 813          HD23      LEU 813  -8.946 -15.679  -1.218
  500    HA   PRO 814           HA       PRO 814  -4.648 -20.334  -2.600
  501    HB2  PRO 814           HB2      PRO 814  -4.861 -21.652  -0.221
  502    HB3  PRO 814           HB3      PRO 814  -3.341 -20.876  -0.753
  503    HG2  PRO 814           HG2      PRO 814  -5.476 -19.747   1.080
  504    HG3  PRO 814           HG3      PRO 814  -3.707 -19.812   1.374
  505    HD2  PRO 814           HD2      PRO 814  -4.899 -17.585   0.421
  506    HD3  PRO 814           HD3      PRO 814  -3.313 -18.098  -0.204
  507    H    LYS 815           H        LYS 815  -6.226 -21.942  -2.910
  508    HA   LYS 815           HA       LYS 815  -8.960 -20.945  -2.584
  509    HB2  LYS 815           HB2      LYS 815  -9.573 -22.408  -4.274
  510    HB3  LYS 815           HB3      LYS 815  -8.001 -21.816  -4.748
  511    HG2  LYS 815           HG2      LYS 815  -8.620 -24.570  -3.561
  512    HG3  LYS 815           HG3      LYS 815  -8.376 -24.185  -5.261
  513    HD2  LYS 815           HD2      LYS 815  -6.017 -23.539  -4.802
  514    HD3  LYS 815           HD3      LYS 815  -6.250 -23.939  -3.088
  515    HE2  LYS 815           HE2      LYS 815  -5.166 -25.804  -4.082
  516    HE3  LYS 815           HE3      LYS 815  -6.825 -26.283  -3.738
  517    HZ1  LYS 815           HZ1      LYS 815  -6.085 -26.988  -5.946
  518    HZ2  LYS 815           HZ2      LYS 815  -5.815 -25.439  -6.395
  519    HZ3  LYS 815           HZ3      LYS 815  -7.343 -25.952  -6.085
  520    H    LYS 816           H        LYS 816  -7.075 -23.387  -0.989
  521    HA   LYS 816           HA       LYS 816  -9.402 -24.961  -0.154
  522    HB2  LYS 816           HB2      LYS 816  -7.690 -26.377   1.005
  523    HB3  LYS 816           HB3      LYS 816  -7.592 -26.259  -0.729
  524    HG2  LYS 816           HG2      LYS 816  -5.402 -26.339   0.296
  525    HG3  LYS 816           HG3      LYS 816  -5.622 -24.856  -0.632
  526    HD2  LYS 816           HD2      LYS 816  -5.765 -23.526   1.373
  527    HD3  LYS 816           HD3      LYS 816  -6.023 -24.948   2.388
  528    HE2  LYS 816           HE2      LYS 816  -3.765 -24.098   2.671
  529    HE3  LYS 816           HE3      LYS 816  -3.751 -25.733   2.003
  530    HZ1  LYS 816           HZ1      LYS 816  -3.401 -23.277   0.364
  531    HZ2  LYS 816           HZ2      LYS 816  -3.227 -24.832  -0.153
  532    HZ3  LYS 816           HZ3      LYS 816  -2.175 -24.193   0.933
  533    H    HIS 817           H        HIS 817 -10.003 -25.483   1.985
  534    HA   HIS 817           HA       HIS 817  -9.830 -23.260   3.937
  535    HB2  HIS 817           HB2      HIS 817 -11.324 -25.903   3.882
  536    HB3  HIS 817           HB3      HIS 817 -11.295 -24.833   5.265
  537    HD1  HIS 817           HD1      HIS 817 -11.842 -23.591   1.613
  538    HD2  HIS 817           HD2      HIS 817 -13.757 -24.032   5.320
  539    HE1  HIS 817           HE1      HIS 817 -14.083 -22.398   1.404
  540    H    CYS 818           H        CYS 818  -9.288 -23.774   6.198
  541    HA   CYS 818           HA       CYS 818  -6.613 -24.702   6.421
  542    HB2  CYS 818           HB2      CYS 818  -7.698 -22.932   7.728
  543    HB3  CYS 818           HB3      CYS 818  -8.716 -24.124   8.542
  544    H    SER 819           H        SER 819  -5.683 -26.469   7.315
  545    HA   SER 819           HA       SER 819  -7.271 -28.980   7.556
  546    HB2  SER 819           HB2      SER 819  -4.264 -28.479   7.664
  547    HB3  SER 819           HB3      SER 819  -5.040 -30.061   7.755
  548    HG   SER 819           HG       SER 819  -5.289 -28.231   5.549
  549    H    THR 820           H        THR 820  -6.132 -26.509   9.671
  550    HA   THR 820           HA       THR 820  -5.821 -28.348  12.005
  551    HB   THR 820           HB       THR 820  -5.111 -25.408  11.631
  552    HG1  THR 820           HG1      THR 820  -3.506 -27.763  11.755
  553   HG21  THR 820          HG21      THR 820  -3.717 -25.775  13.681
  554   HG22  THR 820          HG22      THR 820  -4.511 -27.351  13.922
  555   HG23  THR 820          HG23      THR 820  -5.452 -25.844  14.017
  556    H    CYS 821           H        CYS 821  -7.771 -25.528  10.968
  557    HA   CYS 821           HA       CYS 821  -9.632 -26.123  13.237
  558    HB2  CYS 821           HB2      CYS 821  -9.991 -23.828  13.597
  559    HB3  CYS 821           HB3      CYS 821  -8.257 -24.133  13.676
  560    H    GLY 822           H        GLY 822  -9.470 -25.676   9.835
  561    HA2  GLY 822           HA2      GLY 822 -11.040 -26.666   8.411
  562    HA3  GLY 822           HA3      GLY 822 -12.264 -26.594   9.686
  563    H    LEU 823           H        LEU 823 -11.186 -23.487   9.608
  564    HA   LEU 823           HA       LEU 823 -13.369 -22.651   7.775
  565    HB2  LEU 823           HB2      LEU 823 -13.191 -20.458   8.900
  566    HB3  LEU 823           HB3      LEU 823 -13.582 -21.801   9.943
  567    HG   LEU 823           HG       LEU 823 -11.384 -21.828  10.937
  568   HD11  LEU 823          HD11      LEU 823  -9.734 -19.973  10.412
  569   HD12  LEU 823          HD12      LEU 823 -10.679 -19.624   8.956
  570   HD13  LEU 823          HD13      LEU 823  -9.886 -21.187   9.141
  571   HD21  LEU 823          HD21      LEU 823 -11.475 -19.647  12.064
  572   HD22  LEU 823          HD22      LEU 823 -13.097 -20.311  11.846
  573   HD23  LEU 823          HD23      LEU 823 -12.526 -19.006  10.774
  574    H    PHE 824           H        PHE 824 -12.678 -20.149   7.046
  575    HA   PHE 824           HA       PHE 824 -10.233 -20.377   5.356
  576    HB2  PHE 824           HB2      PHE 824 -12.261 -21.098   4.102
  577    HB3  PHE 824           HB3      PHE 824 -12.997 -19.532   4.389
  578    HD1  PHE 824           HD1      PHE 824 -10.226 -21.341   2.700
  579    HD2  PHE 824           HD2      PHE 824 -12.324 -17.600   3.040
  580    HE1  PHE 824           HE1      PHE 824  -9.096 -20.532   0.654
  581    HE2  PHE 824           HE2      PHE 824 -11.190 -16.780   0.989
  582    HZ   PHE 824           HZ       PHE 824  -9.574 -18.238  -0.213
  583    H    LYS 825           H        LYS 825  -9.157 -18.983   6.694
  584    HA   LYS 825           HA       LYS 825  -9.886 -16.089   6.520
  585    HB2  LYS 825           HB2      LYS 825  -9.284 -17.605   9.088
  586    HB3  LYS 825           HB3      LYS 825  -9.239 -15.850   8.920
  587    HG2  LYS 825           HG2      LYS 825 -11.662 -15.970   8.061
  588    HG3  LYS 825           HG3      LYS 825 -11.680 -17.647   8.625
  589    HD2  LYS 825           HD2      LYS 825 -11.021 -16.885  10.878
  590    HD3  LYS 825           HD3      LYS 825 -10.988 -15.208  10.294
  591    HE2  LYS 825           HE2      LYS 825 -13.408 -15.350   9.721
  592    HE3  LYS 825           HE3      LYS 825 -13.457 -17.008  10.325
  593    HZ1  LYS 825           HZ1      LYS 825 -14.237 -15.429  11.977
  594    HZ2  LYS 825           HZ2      LYS 825 -12.819 -14.629  11.962
  595    HZ3  LYS 825           HZ3      LYS 825 -12.883 -16.167  12.519
  596    H    TRP 826           H        TRP 826  -7.936 -17.705   5.118
  597    HA   TRP 826           HA       TRP 826  -5.260 -17.329   5.976
  598    HB2  TRP 826           HB2      TRP 826  -6.386 -17.331   3.148
  599    HB3  TRP 826           HB3      TRP 826  -4.684 -17.466   3.567
  600    HD1  TRP 826           HD1      TRP 826  -7.550 -19.531   2.761
  601    HE1  TRP 826           HE1      TRP 826  -7.096 -21.997   3.214
  602    HE3  TRP 826           HE3      TRP 826  -3.352 -19.043   5.657
  603    HZ2  TRP 826           HZ2      TRP 826  -5.204 -23.581   4.752
  604    HZ3  TRP 826           HZ3      TRP 826  -2.247 -21.045   6.612
  605    HH2  TRP 826           HH2      TRP 826  -3.170 -23.324   6.168
  606    H    GLU 827           H        GLU 827  -3.889 -15.675   6.016
  607    HA   GLU 827           HA       GLU 827  -4.528 -13.054   4.713
  608    HB2  GLU 827           HB2      GLU 827  -4.732 -13.073   7.185
  609    HB3  GLU 827           HB3      GLU 827  -3.060 -13.615   7.328
  610    HG2  GLU 827           HG2      GLU 827  -2.266 -11.538   6.267
  611    HG3  GLU 827           HG3      GLU 827  -3.934 -11.017   5.988
  612    H    ARG 828           H        ARG 828  -2.946 -12.311   3.343
  613    HA   ARG 828           HA       ARG 828  -0.644 -13.992   2.759
  614    HB2  ARG 828           HB2      ARG 828  -2.021 -12.722   1.089
  615    HB3  ARG 828           HB3      ARG 828  -1.293 -11.226   1.672
  616    HG2  ARG 828           HG2      ARG 828   0.917 -11.957   0.959
  617    HG3  ARG 828           HG3      ARG 828   0.336 -13.605   0.659
  618    HD2  ARG 828           HD2      ARG 828   0.634 -12.405  -1.445
  619    HD3  ARG 828           HD3      ARG 828  -1.048 -12.859  -1.202
  620    HE   ARG 828           HE       ARG 828   0.108 -10.110  -0.844
  621   HH11  ARG 828          HH11      ARG 828  -2.786 -12.052  -1.639
  622   HH12  ARG 828          HH12      ARG 828  -3.762 -10.627  -1.812
  623   HH21  ARG 828          HH21      ARG 828  -1.219  -8.360  -1.163
  624   HH22  ARG 828          HH22      ARG 828  -2.883  -8.584  -1.599
  625    H    VAL 829           H        VAL 829   1.348 -13.799   3.560
  626    HA   VAL 829           HA       VAL 829   1.988 -11.518   5.411
  627    HB   VAL 829           HB       VAL 829   3.328 -13.082   6.771
  628   HG11  VAL 829          HG11      VAL 829   1.042 -12.409   7.401
  629   HG12  VAL 829          HG12      VAL 829   0.394 -13.845   6.585
  630   HG13  VAL 829          HG13      VAL 829   1.469 -14.027   7.988
  631   HG21  VAL 829          HG21      VAL 829   3.004 -15.477   6.639
  632   HG22  VAL 829          HG22      VAL 829   1.942 -15.322   5.230
  633   HG23  VAL 829          HG23      VAL 829   3.670 -14.918   5.098
  634    H    GLY 830           H        GLY 830   4.433 -11.398   5.893
  635    HA2  GLY 830           HA2      GLY 830   5.746 -10.754   3.395
  636    HA3  GLY 830           HA3      GLY 830   6.407 -10.585   5.035
  637    H    MET 831           H        MET 831   8.091 -11.275   3.181
  638    HA   MET 831           HA       MET 831   8.368 -14.076   2.591
  639    HB2  MET 831           HB2      MET 831   9.302 -12.071   1.360
  640    HB3  MET 831           HB3      MET 831  10.499 -11.916   2.645
  641    HG2  MET 831           HG2      MET 831  11.291 -14.253   2.115
  642    HG3  MET 831           HG3      MET 831  10.071 -14.339   0.842
  643    HE1  MET 831           HE1      MET 831  12.731 -11.625   2.033
  644    HE2  MET 831           HE2      MET 831  13.476 -13.242   2.012
  645    HE3  MET 831           HE3      MET 831  14.019 -11.998   0.869
  646    H    LEU 832           H        LEU 832   9.781 -15.615   3.463
  647    HA   LEU 832           HA       LEU 832  10.045 -15.646   6.306
  648    HB2  LEU 832           HB2      LEU 832  11.259 -17.421   4.134
  649    HB3  LEU 832           HB3      LEU 832  11.430 -17.722   5.847
  650    HG   LEU 832           HG       LEU 832   9.788 -19.171   4.950
  651   HD11  LEU 832          HD11      LEU 832   7.941 -18.806   6.465
  652   HD12  LEU 832          HD12      LEU 832   8.330 -17.076   6.610
  653   HD13  LEU 832          HD13      LEU 832   9.442 -18.297   7.255
  654   HD21  LEU 832          HD21      LEU 832   9.058 -17.746   3.007
  655   HD22  LEU 832          HD22      LEU 832   8.003 -16.855   4.125
  656   HD23  LEU 832          HD23      LEU 832   7.755 -18.583   3.870
  657    H    LYS 833           H        LYS 833  11.674 -15.245   7.666
  658    HA   LYS 833           HA       LYS 833  14.223 -14.114   6.590
  659    HB2  LYS 833           HB2      LYS 833  14.314 -12.800   8.629
  660    HB3  LYS 833           HB3      LYS 833  12.809 -12.510   7.776
  661    HG2  LYS 833           HG2      LYS 833  11.558 -13.898   9.331
  662    HG3  LYS 833           HG3      LYS 833  13.023 -14.430  10.147
  663    HD2  LYS 833           HD2      LYS 833  12.069 -11.530  10.060
  664    HD3  LYS 833           HD3      LYS 833  11.710 -12.676  11.366
  665    HE2  LYS 833           HE2      LYS 833  14.150 -12.999  11.743
  666    HE3  LYS 833           HE3      LYS 833  14.503 -11.803  10.483
  667    HZ1  LYS 833           HZ1      LYS 833  13.018 -11.251  12.989
  668    HZ2  LYS 833           HZ2      LYS 833  13.319 -10.148  11.818
  669    HZ3  LYS 833           HZ3      LYS 833  14.559 -10.795  12.670
  670    H    GLU 834           H        GLU 834  13.323 -16.962   7.621
  671    HA   GLU 834           HA       GLU 834  15.847 -17.712   8.946
  672    HB2  GLU 834           HB2      GLU 834  14.162 -17.029  10.698
  673    HB3  GLU 834           HB3      GLU 834  13.119 -18.338  10.143
  674    HG2  GLU 834           HG2      GLU 834  14.870 -19.988  10.736
  675    HG3  GLU 834           HG3      GLU 834  15.939 -18.678  11.273
  676    H    LYS 835           H        LYS 835  16.274 -20.013   8.759
  677    HA   LYS 835           HA       LYS 835  15.483 -21.196   6.334
  678    HB2  LYS 835           HB2      LYS 835  16.774 -23.108   7.110
  679    HB3  LYS 835           HB3      LYS 835  17.604 -21.597   7.467
  680    HG2  LYS 835           HG2      LYS 835  16.724 -21.765   9.861
  681    HG3  LYS 835           HG3      LYS 835  16.111 -23.381   9.440
  682    HD2  LYS 835           HD2      LYS 835  18.410 -24.066   8.820
  683    HD3  LYS 835           HD3      LYS 835  19.023 -22.469   9.306
  684    HE2  LYS 835           HE2      LYS 835  18.148 -22.846  11.611
  685    HE3  LYS 835           HE3      LYS 835  17.552 -24.442  11.133
  686    HZ1  LYS 835           HZ1      LYS 835  19.708 -24.592  12.220
  687    HZ2  LYS 835           HZ2      LYS 835  20.406 -23.622  11.105
  688    HZ3  LYS 835           HZ3      LYS 835  19.845 -25.096  10.673
  689    H    THR 836           H        THR 836  14.138 -22.801   5.725
  690    HA   THR 836           HA       THR 836  11.839 -23.490   7.491
  691    HB   THR 836           HB       THR 836  10.707 -24.049   5.334
  692    HG1  THR 836           HG1      THR 836  11.748 -23.369   3.446
  693   HG21  THR 836          HG21      THR 836  11.848 -21.207   5.429
  694   HG22  THR 836          HG22      THR 836  10.469 -21.791   6.385
  695   HG23  THR 836          HG23      THR 836  10.364 -21.737   4.616
  696    H    GLY 837           H        GLY 837  10.833 -25.581   7.193
  697    HA2  GLY 837           HA2      GLY 837  11.640 -27.857   5.970
  698    HA3  GLY 837           HA3      GLY 837  12.740 -27.821   7.340
  699    HA   PRO 838           HA       PRO 838   8.451 -29.558   8.484
  700    HB2  PRO 838           HB2      PRO 838   8.820 -32.260   8.388
  701    HB3  PRO 838           HB3      PRO 838   8.399 -31.281   6.943
  702    HG2  PRO 838           HG2      PRO 838  11.139 -32.242   7.816
  703    HG3  PRO 838           HG3      PRO 838  10.400 -32.342   6.184
  704    HD2  PRO 838           HD2      PRO 838  12.122 -30.333   6.892
  705    HD3  PRO 838           HD3      PRO 838  10.756 -30.052   5.779
  706    H    LYS 839           H        LYS 839   7.948 -29.975  10.625
  707    HA   LYS 839           HA       LYS 839  10.041 -30.125  12.623
  708    HB2  LYS 839           HB2      LYS 839   7.006 -30.432  12.797
  709    HB3  LYS 839           HB3      LYS 839   8.096 -30.316  14.188
  710    HG2  LYS 839           HG2      LYS 839   8.902 -28.091  13.282
  711    HG3  LYS 839           HG3      LYS 839   7.606 -28.174  12.088
  712    HD2  LYS 839           HD2      LYS 839   7.232 -28.139  15.117
  713    HD3  LYS 839           HD3      LYS 839   7.045 -26.771  14.022
  714    HE2  LYS 839           HE2      LYS 839   4.864 -27.354  14.246
  715    HE3  LYS 839           HE3      LYS 839   5.270 -28.256  12.784
  716    HZ1  LYS 839           HZ1      LYS 839   5.515 -30.242  14.196
  717    HZ2  LYS 839           HZ2      LYS 839   4.034 -29.596  14.423
  718    HZ3  LYS 839           HZ3      LYS 839   5.190 -29.370  15.547
  719    H    LEU 840           H        LEU 840   8.359 -32.549  10.860
  720    HA   LEU 840           HA       LEU 840   8.796 -34.800  12.644
  721    HB2  LEU 840           HB2      LEU 840   6.972 -34.625  10.930
  722    HB3  LEU 840           HB3      LEU 840   8.201 -34.602   9.658
  723    HG   LEU 840           HG       LEU 840   8.869 -36.917  10.242
  724   HD11  LEU 840          HD11      LEU 840   8.300 -37.001  12.640
  725   HD12  LEU 840          HD12      LEU 840   7.419 -38.261  11.774
  726   HD13  LEU 840          HD13      LEU 840   6.581 -36.781  12.260
  727   HD21  LEU 840          HD21      LEU 840   6.840 -38.026   9.392
  728   HD22  LEU 840          HD22      LEU 840   7.139 -36.507   8.531
  729   HD23  LEU 840          HD23      LEU 840   5.875 -36.590   9.779
  730    H    GLY 841           H        GLY 841  10.741 -33.129  10.234
  731    HA2  GLY 841           HA2      GLY 841  12.994 -33.373   9.681
  732    HA3  GLY 841           HA3      GLY 841  13.112 -34.757  10.794
  733    H    GLY 842           H        GLY 842  14.281 -35.996   9.356
  734    HA2  GLY 842           HA2      GLY 842  12.916 -37.817   7.685
  735    HA3  GLY 842           HA3      GLY 842  13.601 -36.584   6.618
  Start of MODEL    3
    1    H1   GLY  -4           H1       GLY  -4  18.914   2.471  -6.639
    2    H2   GLY  -4           H2       GLY  -4  19.936   2.941  -5.436
    3    H3   GLY  -4           H3       GLY  -4  19.308   1.433  -5.429
    4    HA2  GLY  -4           HA2      GLY  -4  21.203   2.513  -7.425
    5    HA3  GLY  -4           HA3      GLY  -4  21.597   1.344  -6.140
    6    HA   PRO  -3           HA       PRO  -3  20.842  -1.060 -10.041
    7    HB2  PRO  -3           HB2      PRO  -3  22.724  -2.841  -8.492
    8    HB3  PRO  -3           HB3      PRO  -3  22.662  -2.529 -10.247
    9    HG2  PRO  -3           HG2      PRO  -3  24.515  -1.270  -8.722
   10    HG3  PRO  -3           HG3      PRO  -3  23.620  -0.344  -9.969
   11    HD2  PRO  -3           HD2      PRO  -3  23.101  -0.485  -6.982
   12    HD3  PRO  -3           HD3      PRO  -3  23.135   0.947  -8.058
   13    H    MET  -2           H        MET  -2  19.556  -2.833 -10.385
   14    HA   MET  -2           HA       MET  -2  18.029  -4.472 -10.090
   15    HB2  MET  -2           HB2      MET  -2  19.215  -4.997  -7.341
   16    HB3  MET  -2           HB3      MET  -2  18.199  -6.074  -8.299
   17    HG2  MET  -2           HG2      MET  -2  19.909  -6.142 -10.085
   18    HG3  MET  -2           HG3      MET  -2  20.974  -5.132  -9.100
   19    HE1  MET  -2           HE1      MET  -2  22.875  -6.900  -9.451
   20    HE2  MET  -2           HE2      MET  -2  22.727  -8.619  -9.039
   21    HE3  MET  -2           HE3      MET  -2  21.771  -7.948 -10.384
   22    H    GLY  -1           H        GLY  -1  17.804  -1.645  -8.516
   23    HA2  GLY  -1           HA2      GLY  -1  15.976  -0.455  -7.702
   24    HA3  GLY  -1           HA3      GLY  -1  14.948  -1.808  -8.209
   25    H    MET 755           H        MET 755  13.806  -2.631  -6.598
   26    HA   MET 755           HA       MET 755  14.466  -2.367  -3.786
   27    HB2  MET 755           HB2      MET 755  12.412  -4.099  -5.231
   28    HB3  MET 755           HB3      MET 755  12.496  -3.887  -3.486
   29    HG2  MET 755           HG2      MET 755  11.924  -1.732  -5.563
   30    HG3  MET 755           HG3      MET 755  10.777  -2.443  -4.451
   31    HE1  MET 755           HE1      MET 755  11.768  -0.935  -0.984
   32    HE2  MET 755           HE2      MET 755  10.647  -1.984  -1.875
   33    HE3  MET 755           HE3      MET 755  12.339  -2.475  -1.618
   34    H    GLN 756           H        GLN 756  15.339  -4.681  -6.187
   35    HA   GLN 756           HA       GLN 756  16.753  -6.390  -6.276
   36    HB2  GLN 756           HB2      GLN 756  18.056  -4.928  -4.666
   37    HB3  GLN 756           HB3      GLN 756  17.436  -5.937  -3.345
   38    HG2  GLN 756           HG2      GLN 756  18.490  -7.931  -4.366
   39    HG3  GLN 756           HG3      GLN 756  19.054  -6.961  -5.716
   40   HE21  GLN 756          HE21      GLN 756  20.596  -5.062  -5.110
   41   HE22  GLN 756          HE22      GLN 756  21.674  -5.354  -3.760
   42    H    SER 757           H        SER 757  14.648  -6.591  -3.384
   43    HA   SER 757           HA       SER 757  13.814  -9.281  -4.241
   44    HB2  SER 757           HB2      SER 757  14.127 -10.269  -2.010
   45    HB3  SER 757           HB3      SER 757  15.653  -9.867  -2.814
   46    HG   SER 757           HG       SER 757  15.655  -9.242  -0.589
   47    H    ILE 758           H        ILE 758  11.844  -9.994  -3.391
   48    HA   ILE 758           HA       ILE 758  10.066  -7.887  -2.211
   49    HB   ILE 758           HB       ILE 758   9.270  -9.880  -4.369
   50   HG12  ILE 758          HG12      ILE 758  10.971  -8.520  -5.454
   51   HG13  ILE 758          HG13      ILE 758   9.376  -8.209  -6.095
   52   HG21  ILE 758          HG21      ILE 758   7.948  -7.334  -3.330
   53   HG22  ILE 758          HG22      ILE 758   7.426  -8.192  -4.800
   54   HG23  ILE 758          HG23      ILE 758   7.320  -8.997  -3.251
   55   HD11  ILE 758          HD11      ILE 758  10.725  -6.147  -5.853
   56   HD12  ILE 758          HD12      ILE 758   9.236  -6.061  -4.896
   57   HD13  ILE 758          HD13      ILE 758  10.791  -6.388  -4.111
   58    H    ARG 759           H        ARG 759   8.039  -8.903  -1.269
   59    HA   ARG 759           HA       ARG 759   8.586 -11.255   0.327
   60    HB2  ARG 759           HB2      ARG 759   6.493 -10.854   1.385
   61    HB3  ARG 759           HB3      ARG 759   7.381  -9.345   1.210
   62    HG2  ARG 759           HG2      ARG 759   5.882  -9.173  -1.041
   63    HG3  ARG 759           HG3      ARG 759   4.817 -10.229  -0.105
   64    HD2  ARG 759           HD2      ARG 759   5.917  -7.544   0.835
   65    HD3  ARG 759           HD3      ARG 759   4.351  -7.764   0.066
   66    HE   ARG 759           HE       ARG 759   5.110  -8.497   2.817
   67   HH11  ARG 759          HH21      ARG 759   2.578  -8.794   0.363
   68   HH12  ARG 759          HH22      ARG 759   1.334  -9.021   1.565
   69   HH21  ARG 759          HH11      ARG 759   3.464  -8.891   4.282
   70   HH22  ARG 759          HH12      ARG 759   1.840  -9.131   3.733
   71    H    GLU 760           H        GLU 760   8.814 -11.965  -2.252
   72    HA   GLU 760           HA       GLU 760   7.436 -14.390  -2.593
   73    HB2  GLU 760           HB2      GLU 760   6.269 -13.848  -4.751
   74    HB3  GLU 760           HB3      GLU 760   5.499 -13.292  -3.274
   75    HG2  GLU 760           HG2      GLU 760   6.203 -10.990  -3.697
   76    HG3  GLU 760           HG3      GLU 760   7.152 -11.509  -5.102
   77    H    GLN 761           H        GLN 761   8.240 -15.544  -4.505
   78    HA   GLN 761           HA       GLN 761  10.644 -14.366  -5.770
   79    HB2  GLN 761           HB2      GLN 761  12.123 -16.084  -4.863
   80    HB3  GLN 761           HB3      GLN 761  11.392 -15.135  -3.567
   81    HG2  GLN 761           HG2      GLN 761   9.658 -17.030  -3.322
   82    HG3  GLN 761           HG3      GLN 761  10.639 -17.965  -4.457
   83   HE21  GLN 761          HE21      GLN 761  10.787 -16.262  -1.255
   84   HE22  GLN 761          HE22      GLN 761  12.024 -17.339  -0.615
   85    H    SER 762           H        SER 762  11.255 -15.268  -7.676
   86    HA   SER 762           HA       SER 762   9.333 -16.899  -9.055
   87    HB2  SER 762           HB2      SER 762  12.137 -16.084  -9.900
   88    HB3  SER 762           HB3      SER 762  10.858 -16.691 -10.958
   89    HG   SER 762           HG       SER 762  11.047 -14.365 -10.965
   90    H    CYS 763           H        CYS 763   9.419 -18.957  -9.797
   91    HA   CYS 763           HA       CYS 763  11.667 -20.785  -9.155
   92    HB2  CYS 763           HB2      CYS 763   8.840 -20.913  -7.992
   93    HB3  CYS 763           HB3      CYS 763   9.790 -22.387  -8.207
   94    HG   CYS 763           HG       CYS 763  10.999 -19.682  -6.767
   95    H    ARG 764           H        ARG 764  11.211 -22.985 -10.076
   96    HA   ARG 764           HA       ARG 764   9.558 -22.929 -12.551
   97    HB2  ARG 764           HB2      ARG 764  11.929 -23.865 -12.546
   98    HB3  ARG 764           HB3      ARG 764  11.285 -25.233 -11.613
   99    HG2  ARG 764           HG2      ARG 764   9.637 -25.668 -13.446
  100    HG3  ARG 764           HG3      ARG 764  10.271 -24.289 -14.353
  101    HD2  ARG 764           HD2      ARG 764  11.929 -26.691 -13.560
  102    HD3  ARG 764           HD3      ARG 764  11.071 -26.547 -15.105
  103    HE   ARG 764           HE       ARG 764  12.639 -24.220 -14.819
  104   HH11  ARG 764          HH11      ARG 764  13.203 -27.677 -15.346
  105   HH12  ARG 764          HH12      ARG 764  14.704 -27.397 -16.183
  106   HH21  ARG 764          HH21      ARG 764  14.603 -23.931 -15.872
  107   HH22  ARG 764          HH22      ARG 764  15.480 -25.308 -16.463
  108    H    VAL 765           H        VAL 765   7.794 -24.245 -12.761
  109    HA   VAL 765           HA       VAL 765   6.590 -25.525 -10.354
  110    HB   VAL 765           HB       VAL 765   4.480 -24.278 -10.757
  111   HG11  VAL 765          HG11      VAL 765   6.015 -23.436  -9.013
  112   HG12  VAL 765          HG12      VAL 765   6.831 -22.405 -10.219
  113   HG13  VAL 765          HG13      VAL 765   5.135 -22.125  -9.815
  114   HG21  VAL 765          HG21      VAL 765   6.089 -22.475 -12.589
  115   HG22  VAL 765          HG22      VAL 765   4.907 -23.674 -13.151
  116   HG23  VAL 765          HG23      VAL 765   4.379 -22.310 -12.148
  117    H    VAL 766           H        VAL 766   4.489 -26.594 -10.914
  118    HA   VAL 766           HA       VAL 766   4.447 -27.718 -13.686
  119    HB   VAL 766           HB       VAL 766   5.775 -29.212 -12.274
  120   HG11  VAL 766          HG11      VAL 766   3.309 -29.543 -10.507
  121   HG12  VAL 766          HG12      VAL 766   4.774 -30.520 -10.472
  122   HG13  VAL 766          HG13      VAL 766   4.870 -28.815 -10.047
  123   HG21  VAL 766          HG21      VAL 766   3.089 -30.478 -12.906
  124   HG22  VAL 766          HG22      VAL 766   4.387 -30.149 -14.088
  125   HG23  VAL 766          HG23      VAL 766   4.654 -31.297 -12.767
  126    H    THR 767           H        THR 767   2.503 -28.198 -14.495
  127    HA   THR 767           HA       THR 767   0.066 -28.044 -12.748
  128    HB   THR 767           HB       THR 767   0.278 -27.623 -15.761
  129    HG1  THR 767           HG1      THR 767   1.067 -25.837 -14.588
  130   HG21  THR 767          HG21      THR 767  -1.897 -28.606 -15.027
  131   HG22  THR 767          HG22      THR 767  -2.088 -26.928 -15.559
  132   HG23  THR 767          HG23      THR 767  -2.076 -27.313 -13.828
  133    H    CYS 768           H        CYS 768  -0.650 -30.022 -12.245
  134    HA   CYS 768           HA       CYS 768  -0.122 -32.399 -13.903
  135    HB2  CYS 768           HB2      CYS 768  -0.302 -32.583 -11.430
  136    HB3  CYS 768           HB3      CYS 768  -1.968 -32.025 -11.521
  137    H    LYS 769           H        LYS 769  -1.259 -32.852 -15.679
  138    HA   LYS 769           HA       LYS 769  -3.646 -31.275 -16.394
  139    HB2  LYS 769           HB2      LYS 769  -2.183 -33.498 -17.887
  140    HB3  LYS 769           HB3      LYS 769  -3.428 -32.459 -18.553
  141    HG2  LYS 769           HG2      LYS 769  -0.627 -31.636 -17.677
  142    HG3  LYS 769           HG3      LYS 769  -1.239 -31.710 -19.322
  143    HD2  LYS 769           HD2      LYS 769  -2.035 -29.759 -17.133
  144    HD3  LYS 769           HD3      LYS 769  -1.110 -29.391 -18.574
  145    HE2  LYS 769           HE2      LYS 769  -4.041 -30.251 -18.512
  146    HE3  LYS 769           HE3      LYS 769  -3.467 -28.601 -18.707
  147    HZ1  LYS 769           HZ1      LYS 769  -2.414 -29.255 -20.781
  148    HZ2  LYS 769           HZ2      LYS 769  -4.011 -29.587 -20.837
  149    HZ3  LYS 769           HZ3      LYS 769  -2.942 -30.798 -20.620
  150    H    THR 770           H        THR 770  -3.005 -34.371 -14.968
  151    HA   THR 770           HA       THR 770  -5.559 -35.601 -15.661
  152    HB   THR 770           HB       THR 770  -3.556 -36.365 -13.499
  153    HG1  THR 770           HG1      THR 770  -3.827 -37.261 -16.187
  154   HG21  THR 770          HG21      THR 770  -4.490 -38.648 -13.855
  155   HG22  THR 770          HG22      THR 770  -5.736 -37.961 -14.919
  156   HG23  THR 770          HG23      THR 770  -5.680 -37.529 -13.191
  157    H    CYS 771           H        CYS 771  -4.279 -33.926 -12.731
  158    HA   CYS 771           HA       CYS 771  -6.957 -34.040 -11.466
  159    HB2  CYS 771           HB2      CYS 771  -4.273 -33.107 -10.419
  160    HB3  CYS 771           HB3      CYS 771  -5.736 -33.287  -9.464
  161    H    LYS 772           H        LYS 772  -4.935 -31.756 -13.128
  162    HA   LYS 772           HA       LYS 772  -5.233 -29.688 -13.891
  163    HB2  LYS 772           HB2      LYS 772  -8.047 -29.772 -12.729
  164    HB3  LYS 772           HB3      LYS 772  -7.395 -28.534 -13.787
  165    HG2  LYS 772           HG2      LYS 772  -8.565 -29.820 -15.259
  166    HG3  LYS 772           HG3      LYS 772  -6.911 -30.380 -15.496
  167    HD2  LYS 772           HD2      LYS 772  -7.379 -32.404 -14.173
  168    HD3  LYS 772           HD3      LYS 772  -9.005 -31.802 -13.801
  169    HE2  LYS 772           HE2      LYS 772  -9.543 -31.904 -16.239
  170    HE3  LYS 772           HE3      LYS 772  -7.894 -32.462 -16.572
  171    HZ1  LYS 772           HZ1      LYS 772  -9.360 -34.344 -16.445
  172    HZ2  LYS 772           HZ2      LYS 772  -9.926 -33.911 -14.972
  173    HZ3  LYS 772           HZ3      LYS 772  -8.379 -34.403 -15.136
  174    H    TYR 773           H        TYR 773  -4.165 -30.173 -11.132
  175    HA   TYR 773           HA       TYR 773  -4.510 -27.452  -9.934
  176    HB2  TYR 773           HB2      TYR 773  -3.617 -28.225  -7.935
  177    HB3  TYR 773           HB3      TYR 773  -4.769 -29.434  -8.450
  178    HD1  TYR 773           HD1      TYR 773  -1.094 -28.663  -8.216
  179    HD2  TYR 773           HD2      TYR 773  -4.096 -31.723  -8.646
  180    HE1  TYR 773           HE1      TYR 773   0.655 -30.405  -7.921
  181    HE2  TYR 773           HE2      TYR 773  -2.369 -33.461  -8.233
  182    HH   TYR 773           HH       TYR 773  -0.131 -33.907  -8.003
  183    H    THR 774           H        THR 774  -2.699 -26.215  -9.298
  184    HA   THR 774           HA       THR 774  -0.172 -26.658 -10.829
  185    HB   THR 774           HB       THR 774  -1.307 -23.999  -9.907
  186    HG1  THR 774           HG1      THR 774  -1.844 -23.743 -12.115
  187   HG21  THR 774          HG21      THR 774   0.947 -24.732 -11.851
  188   HG22  THR 774          HG22      THR 774   1.132 -23.938 -10.271
  189   HG23  THR 774          HG23      THR 774   0.323 -23.088 -11.590
  190    H    HIS 775           H        HIS 775   1.689 -26.691  -9.673
  191    HA   HIS 775           HA       HIS 775   2.013 -25.438  -7.083
  192    HB2  HIS 775           HB2      HIS 775   1.275 -28.279  -7.170
  193    HB3  HIS 775           HB3      HIS 775   2.815 -28.041  -6.388
  194    HD1  HIS 775           HD1      HIS 775   2.718 -26.212  -4.203
  195    HD2  HIS 775           HD2      HIS 775  -0.871 -27.713  -5.793
  196    HE1  HIS 775           HE1      HIS 775   0.923 -25.743  -2.460
  197    H    PHE 776           H        PHE 776   4.327 -26.088  -6.166
  198    HA   PHE 776           HA       PHE 776   6.226 -25.501  -8.250
  199    HB2  PHE 776           HB2      PHE 776   7.386 -26.458  -5.723
  200    HB3  PHE 776           HB3      PHE 776   7.594 -24.941  -6.563
  201    HD1  PHE 776           HD2      PHE 776   5.892 -23.073  -6.167
  202    HD2  PHE 776           HD1      PHE 776   5.927 -26.723  -3.875
  203    HE1  PHE 776           HE2      PHE 776   4.364 -22.038  -4.491
  204    HE2  PHE 776           HE1      PHE 776   4.395 -25.697  -2.208
  205    HZ   PHE 776           HZ       PHE 776   3.582 -23.379  -2.538
  206    H    LYS 777           H        LYS 777   5.377 -28.430  -6.467
  207    HA   LYS 777           HA       LYS 777   7.022 -30.117  -8.313
  208    HB2  LYS 777           HB2      LYS 777   6.652 -30.467  -5.299
  209    HB3  LYS 777           HB3      LYS 777   7.492 -31.593  -6.361
  210    HG2  LYS 777           HG2      LYS 777   8.389 -28.743  -5.730
  211    HG3  LYS 777           HG3      LYS 777   9.028 -30.227  -5.033
  212    HD2  LYS 777           HD2      LYS 777   9.788 -30.965  -7.293
  213    HD3  LYS 777           HD3      LYS 777   9.219 -29.421  -7.965
  214    HE2  LYS 777           HE2      LYS 777  10.730 -28.190  -6.450
  215    HE3  LYS 777           HE3      LYS 777  11.301 -29.721  -5.755
  216    HZ1  LYS 777           HZ1      LYS 777  12.152 -30.320  -7.945
  217    HZ2  LYS 777           HZ2      LYS 777  12.810 -28.912  -7.454
  218    HZ3  LYS 777           HZ3      LYS 777  11.633 -28.907  -8.589
  219    HA   PRO 778           HA       PRO 778   3.174 -32.446  -8.539
  220    HB2  PRO 778           HB2      PRO 778   3.985 -34.802  -9.621
  221    HB3  PRO 778           HB3      PRO 778   4.024 -33.270 -10.546
  222    HG2  PRO 778           HG2      PRO 778   6.316 -34.643  -9.120
  223    HG3  PRO 778           HG3      PRO 778   6.292 -33.931 -10.759
  224    HD2  PRO 778           HD2      PRO 778   7.244 -32.609  -8.509
  225    HD3  PRO 778           HD3      PRO 778   6.527 -31.757  -9.907
  226    H    LYS 779           H        LYS 779   2.036 -34.013  -7.317
  227    HA   LYS 779           HA       LYS 779   3.139 -34.710  -4.762
  228    HB2  LYS 779           HB2      LYS 779   0.542 -35.307  -6.198
  229    HB3  LYS 779           HB3      LYS 779   0.928 -36.094  -4.679
  230    HG2  LYS 779           HG2      LYS 779   1.250 -33.883  -3.586
  231    HG3  LYS 779           HG3      LYS 779   0.840 -33.077  -5.093
  232    HD2  LYS 779           HD2      LYS 779  -1.078 -33.148  -3.536
  233    HD3  LYS 779           HD3      LYS 779  -1.413 -33.982  -5.048
  234    HE2  LYS 779           HE2      LYS 779  -2.327 -35.186  -3.123
  235    HE3  LYS 779           HE3      LYS 779  -1.165 -36.155  -4.019
  236    HZ1  LYS 779           HZ1      LYS 779   0.461 -35.799  -2.309
  237    HZ2  LYS 779           HZ2      LYS 779  -0.913 -36.274  -1.582
  238    HZ3  LYS 779           HZ3      LYS 779  -0.483 -34.693  -1.529
  239    H    GLU 780           H        GLU 780   3.130 -36.772  -3.783
  240    HA   GLU 780           HA       GLU 780   4.825 -38.680  -5.124
  241    HB2  GLU 780           HB2      GLU 780   4.605 -40.021  -3.121
  242    HB3  GLU 780           HB3      GLU 780   5.024 -38.361  -2.737
  243    HG2  GLU 780           HG2      GLU 780   2.172 -39.436  -2.508
  244    HG3  GLU 780           HG3      GLU 780   3.361 -39.584  -1.232
  245    H    THR 781           H        THR 781   1.312 -38.542  -4.535
  246    HA   THR 781           HA       THR 781   0.663 -41.118  -5.642
  247    HB   THR 781           HB       THR 781  -1.620 -40.049  -5.928
  248    HG1  THR 781           HG1      THR 781  -1.257 -37.927  -6.075
  249   HG21  THR 781          HG21      THR 781  -1.008 -41.299  -3.889
  250   HG22  THR 781          HG22      THR 781  -2.068 -39.920  -3.519
  251   HG23  THR 781          HG23      THR 781  -0.328 -39.815  -3.170
  252    H    CYS 782           H        CYS 782   0.915 -37.846  -7.085
  253    HA   CYS 782           HA       CYS 782   0.027 -38.616  -9.676
  254    HB2  CYS 782           HB2      CYS 782   1.714 -36.250  -8.700
  255    HB3  CYS 782           HB3      CYS 782   1.013 -36.400 -10.305
  256    H    VAL 783           H        VAL 783   3.307 -38.352  -8.296
  257    HA   VAL 783           HA       VAL 783   4.655 -39.202 -10.705
  258    HB   VAL 783           HB       VAL 783   5.596 -39.234  -7.814
  259   HG11  VAL 783          HG11      VAL 783   7.897 -39.363  -8.792
  260   HG12  VAL 783          HG12      VAL 783   6.962 -40.833  -9.089
  261   HG13  VAL 783          HG13      VAL 783   7.188 -39.643 -10.398
  262   HG21  VAL 783          HG21      VAL 783   6.190 -37.326 -10.133
  263   HG22  VAL 783          HG22      VAL 783   5.130 -36.954  -8.763
  264   HG23  VAL 783          HG23      VAL 783   6.858 -37.206  -8.493
  265    H    SER 784           H        SER 784   3.479 -41.056  -7.824
  266    HA   SER 784           HA       SER 784   4.534 -43.595  -8.714
  267    HB2  SER 784           HB2      SER 784   3.944 -43.019  -6.383
  268    HB3  SER 784           HB3      SER 784   2.232 -43.002  -6.831
  269    HG   SER 784           HG       SER 784   2.933 -45.021  -5.902
  270    H    GLU 785           H        GLU 785   1.239 -42.158  -9.086
  271    HA   GLU 785           HA       GLU 785   0.261 -44.413 -10.662
  272    HB2  GLU 785           HB2      GLU 785  -0.885 -41.648 -10.133
  273    HB3  GLU 785           HB3      GLU 785  -1.729 -42.918 -11.010
  274    HG2  GLU 785           HG2      GLU 785  -0.813 -43.193  -8.108
  275    HG3  GLU 785           HG3      GLU 785  -2.414 -42.685  -8.622
  276    H    ASN 786           H        ASN 786   2.312 -41.842 -11.433
  277    HA   ASN 786           HA       ASN 786   3.114 -40.935 -13.311
  278    HB2  ASN 786           HB2      ASN 786   2.190 -43.576 -14.497
  279    HB3  ASN 786           HB3      ASN 786   3.104 -42.374 -15.401
  280   HD21  ASN 786          HD21      ASN 786   3.340 -44.366 -12.372
  281   HD22  ASN 786          HD22      ASN 786   5.087 -44.426 -12.437
  282    H    HIS 787           H        HIS 787   1.007 -39.631 -12.631
  283    HA   HIS 787           HA       HIS 787  -0.973 -39.140 -14.701
  284    HB2  HIS 787           HB2      HIS 787   0.157 -37.410 -12.466
  285    HB3  HIS 787           HB3      HIS 787  -1.121 -36.893 -13.556
  286    HD2  HIS 787           HD2      HIS 787  -1.812 -40.448 -12.841
  287    HE1  HIS 787           HE1      HIS 787  -4.031 -38.401  -9.848
  288    HE2  HIS 787           HE2      HIS 787  -3.665 -40.641 -11.024
  289    H    ASP 788           H        ASP 788  -1.060 -37.305 -16.103
  290    HA   ASP 788           HA       ASP 788   1.540 -36.678 -17.414
  291    HB2  ASP 788           HB2      ASP 788  -1.354 -36.074 -18.147
  292    HB3  ASP 788           HB3      ASP 788   0.043 -35.466 -19.033
  293    H    PHE 789           H        PHE 789   2.573 -34.759 -17.162
  294    HA   PHE 789           HA       PHE 789   1.094 -32.437 -16.089
  295    HB2  PHE 789           HB2      PHE 789   3.614 -32.215 -14.914
  296    HB3  PHE 789           HB3      PHE 789   2.083 -32.401 -14.131
  297    HD1  PHE 789           HD1      PHE 789   5.205 -34.072 -15.150
  298    HD2  PHE 789           HD2      PHE 789   1.440 -34.531 -13.111
  299    HE1  PHE 789           HE1      PHE 789   6.089 -36.084 -13.987
  300    HE2  PHE 789           HE2      PHE 789   2.326 -36.545 -11.954
  301    HZ   PHE 789           HZ       PHE 789   4.636 -37.339 -12.389
  302    H    HIS 790           H        HIS 790   1.882 -30.440 -16.600
  303    HA   HIS 790           HA       HIS 790   4.098 -30.276 -18.640
  304    HB2  HIS 790           HB2      HIS 790   1.633 -28.531 -18.268
  305    HB3  HIS 790           HB3      HIS 790   3.005 -28.128 -19.303
  306    HD1  HIS 790           HD1      HIS 790   0.511 -28.146 -20.884
  307    HD2  HIS 790           HD2      HIS 790   2.667 -31.663 -20.059
  308    HE1  HIS 790           HE1      HIS 790  -0.145 -29.822 -22.680
  309    H    TRP 791           H        TRP 791   5.868 -29.205 -17.977
  310    HA   TRP 791           HA       TRP 791   5.817 -27.666 -15.434
  311    HB2  TRP 791           HB2      TRP 791   8.064 -28.818 -17.120
  312    HB3  TRP 791           HB3      TRP 791   8.327 -27.752 -15.759
  313    HD1  TRP 791           HD1      TRP 791   6.888 -31.245 -16.484
  314    HE1  TRP 791           HE1      TRP 791   7.200 -32.725 -14.395
  315    HE3  TRP 791           HE3      TRP 791   8.635 -27.702 -13.224
  316    HZ2  TRP 791           HZ2      TRP 791   8.167 -32.409 -11.700
  317    HZ3  TRP 791           HZ3      TRP 791   9.199 -28.308 -10.887
  318    HH2  TRP 791           HH2      TRP 791   8.981 -30.656 -10.122
  319    H    HIS 792           H        HIS 792   6.718 -25.603 -15.250
  320    HA   HIS 792           HA       HIS 792   7.547 -23.940 -17.456
  321    HB2  HIS 792           HB2      HIS 792   5.628 -22.426 -17.479
  322    HB3  HIS 792           HB3      HIS 792   5.158 -24.029 -17.996
  323    HD1  HIS 792           HD1      HIS 792   4.071 -21.390 -15.639
  324    HD2  HIS 792           HD2      HIS 792   3.871 -25.584 -15.936
  325    HE1  HIS 792           HE1      HIS 792   2.127 -22.122 -14.176
  326    H    ASN 793           H        ASN 793   7.393 -21.461 -16.544
  327    HA   ASN 793           HA       ASN 793   8.488 -21.518 -13.772
  328    HB2  ASN 793           HB2      ASN 793   8.761 -19.550 -16.067
  329    HB3  ASN 793           HB3      ASN 793   9.150 -19.108 -14.406
  330   HD21  ASN 793          HD21      ASN 793  10.678 -20.575 -13.187
  331   HD22  ASN 793          HD22      ASN 793  12.028 -21.226 -14.116
  332    H    GLY 794           H        GLY 794   7.901 -19.955 -12.245
  333    HA2  GLY 794           HA2      GLY 794   5.490 -18.304 -12.513
  334    HA3  GLY 794           HA3      GLY 794   5.294 -19.722 -11.485
  335    H    VAL 795           H        VAL 795   4.842 -17.993  -9.890
  336    HA   VAL 795           HA       VAL 795   7.208 -17.486  -8.238
  337    HB   VAL 795           HB       VAL 795   7.311 -15.444  -9.422
  338   HG11  VAL 795          HG11      VAL 795   5.407 -13.864  -9.681
  339   HG12  VAL 795          HG12      VAL 795   5.144 -15.385 -10.546
  340   HG13  VAL 795          HG13      VAL 795   4.322 -15.089  -8.993
  341   HG21  VAL 795          HG21      VAL 795   7.381 -15.246  -6.886
  342   HG22  VAL 795          HG22      VAL 795   6.974 -13.755  -7.746
  343   HG23  VAL 795          HG23      VAL 795   5.709 -14.692  -6.944
  344    H    LYS 796           H        LYS 796   6.838 -17.608  -6.156
  345    HA   LYS 796           HA       LYS 796   4.132 -18.521  -5.379
  346    HB2  LYS 796           HB2      LYS 796   5.233 -19.829  -3.714
  347    HB3  LYS 796           HB3      LYS 796   6.055 -20.036  -5.246
  348    HG2  LYS 796           HG2      LYS 796   7.619 -18.070  -4.263
  349    HG3  LYS 796           HG3      LYS 796   7.014 -18.681  -2.726
  350    HD2  LYS 796           HD2      LYS 796   8.435 -20.266  -4.907
  351    HD3  LYS 796           HD3      LYS 796   9.151 -19.720  -3.384
  352    HE2  LYS 796           HE2      LYS 796   7.595 -21.135  -2.093
  353    HE3  LYS 796           HE3      LYS 796   6.816 -21.665  -3.595
  354    HZ1  LYS 796           HZ1      LYS 796   9.649 -22.180  -2.871
  355    HZ2  LYS 796           HZ2      LYS 796   8.949 -22.641  -4.267
  356    HZ3  LYS 796           HZ3      LYS 796   8.446 -23.286  -2.851
  357    H    ARG 797           H        ARG 797   3.015 -17.921  -3.667
  358    HA   ARG 797           HA       ARG 797   3.594 -15.315  -2.334
  359    HB2  ARG 797           HB2      ARG 797   0.842 -16.449  -2.626
  360    HB3  ARG 797           HB3      ARG 797   1.333 -14.776  -2.540
  361    HG2  ARG 797           HG2      ARG 797   1.458 -16.644  -4.929
  362    HG3  ARG 797           HG3      ARG 797   0.317 -15.329  -4.661
  363    HD2  ARG 797           HD2      ARG 797   2.025 -13.660  -4.938
  364    HD3  ARG 797           HD3      ARG 797   3.290 -14.897  -5.092
  365    HE   ARG 797           HE       ARG 797   1.580 -15.701  -7.011
  366   HH11  ARG 797          HH11      ARG 797   2.978 -12.457  -6.462
  367   HH12  ARG 797          HH12      ARG 797   2.693 -11.995  -8.107
  368   HH21  ARG 797          HH21      ARG 797   1.302 -15.057  -9.073
  369   HH22  ARG 797          HH22      ARG 797   1.721 -13.440  -9.585
  370    H    PHE 798           H        PHE 798   3.092 -15.169  -0.114
  371    HA   PHE 798           HA       PHE 798   2.988 -17.793   1.324
  372    HB2  PHE 798           HB2      PHE 798   4.086 -15.144   2.279
  373    HB3  PHE 798           HB3      PHE 798   4.312 -16.734   3.007
  374    HD1  PHE 798           HD2      PHE 798   5.233 -18.542   1.080
  375    HD2  PHE 798           HD1      PHE 798   6.009 -14.307   1.229
  376    HE1  PHE 798           HE2      PHE 798   7.269 -18.870  -0.289
  377    HE2  PHE 798           HE1      PHE 798   8.063 -14.639  -0.117
  378    HZ   PHE 798           HZ       PHE 798   8.686 -16.929  -0.901
  379    H    PHE 799           H        PHE 799   1.406 -18.264   2.740
  380    HA   PHE 799           HA       PHE 799  -0.477 -16.107   3.569
  381    HB2  PHE 799           HB2      PHE 799  -1.199 -18.924   2.700
  382    HB3  PHE 799           HB3      PHE 799  -2.310 -17.654   3.225
  383    HD1  PHE 799           HD2      PHE 799  -2.695 -15.643   1.811
  384    HD2  PHE 799           HD1      PHE 799  -0.317 -18.972   0.437
  385    HE1  PHE 799           HE2      PHE 799  -2.860 -14.805  -0.523
  386    HE2  PHE 799           HE1      PHE 799  -0.534 -18.158  -1.895
  387    HZ   PHE 799           HZ       PHE 799  -1.760 -16.055  -2.366
  388    H    LYS 800           H        LYS 800  -1.516 -16.270   5.479
  389    HA   LYS 800           HA       LYS 800  -0.883 -18.517   7.350
  390    HB2  LYS 800           HB2      LYS 800   0.568 -16.598   7.847
  391    HB3  LYS 800           HB3      LYS 800  -0.846 -15.534   7.950
  392    HG2  LYS 800           HG2      LYS 800  -1.677 -16.742   9.864
  393    HG3  LYS 800           HG3      LYS 800  -0.352 -17.926   9.781
  394    HD2  LYS 800           HD2      LYS 800   1.252 -16.076  10.238
  395    HD3  LYS 800           HD3      LYS 800  -0.094 -14.923  10.314
  396    HE2  LYS 800           HE2      LYS 800   0.358 -17.322  12.151
  397    HE3  LYS 800           HE3      LYS 800   0.662 -15.639  12.570
  398    HZ1  LYS 800           HZ1      LYS 800  -1.723 -15.213  12.263
  399    HZ2  LYS 800           HZ2      LYS 800  -1.461 -16.315  13.438
  400    HZ3  LYS 800           HZ3      LYS 800  -2.010 -16.806  11.975
  401    H    CYS 801           H        CYS 801  -2.456 -19.120   8.729
  402    HA   CYS 801           HA       CYS 801  -5.246 -18.124   8.397
  403    HB2  CYS 801           HB2      CYS 801  -4.628 -20.550   8.049
  404    HB3  CYS 801           HB3      CYS 801  -4.052 -20.616   9.717
  405    HA   PRO 802           HA       PRO 802  -5.041 -16.055  12.350
  406    HB2  PRO 802           HB2      PRO 802  -7.587 -16.643  13.418
  407    HB3  PRO 802           HB3      PRO 802  -7.154 -15.307  12.307
  408    HG2  PRO 802           HG2      PRO 802  -8.275 -18.032  11.627
  409    HG3  PRO 802           HG3      PRO 802  -8.764 -16.426  10.982
  410    HD2  PRO 802           HD2      PRO 802  -7.152 -17.987   9.535
  411    HD3  PRO 802           HD3      PRO 802  -6.759 -16.263   9.690
  412    H    CYS 803           H        CYS 803  -5.735 -19.561  12.415
  413    HA   CYS 803           HA       CYS 803  -5.299 -19.801  15.268
  414    HB2  CYS 803           HB2      CYS 803  -5.489 -22.149  14.925
  415    HB3  CYS 803           HB3      CYS 803  -6.740 -21.353  13.970
  416    H    GLY 804           H        GLY 804  -3.138 -19.372  12.669
  417    HA2  GLY 804           HA2      GLY 804  -0.799 -18.924  13.120
  418    HA3  GLY 804           HA3      GLY 804  -0.774 -20.258  14.299
  419    H    ASN 805           H        ASN 805  -2.471 -21.667  11.932
  420    HA   ASN 805           HA       ASN 805  -0.233 -23.062  10.762
  421    HB2  ASN 805           HB2      ASN 805  -2.487 -24.054  11.188
  422    HB3  ASN 805           HB3      ASN 805  -3.160 -23.005   9.934
  423   HD21  ASN 805          HD21      ASN 805  -3.876 -24.794   8.653
  424   HD22  ASN 805          HD22      ASN 805  -2.693 -25.786   7.784
  425    H    ARG 806           H        ARG 806   0.511 -23.054   8.576
  426    HA   ARG 806           HA       ARG 806  -0.067 -20.602   6.962
  427    HB2  ARG 806           HB2      ARG 806   2.686 -21.635   7.750
  428    HB3  ARG 806           HB3      ARG 806   2.340 -20.271   6.667
  429    HG2  ARG 806           HG2      ARG 806   1.103 -19.162   8.548
  430    HG3  ARG 806           HG3      ARG 806   1.597 -20.475   9.610
  431    HD2  ARG 806           HD2      ARG 806   3.421 -18.480   8.271
  432    HD3  ARG 806           HD3      ARG 806   2.943 -18.521   9.973
  433    HE   ARG 806           HE       ARG 806   5.104 -19.962   8.786
  434   HH11  ARG 806          HH11      ARG 806   2.628 -20.565  11.282
  435   HH12  ARG 806          HH12      ARG 806   3.695 -21.603  12.170
  436   HH21  ARG 806          HH21      ARG 806   6.396 -21.257   9.999
  437   HH22  ARG 806          HH22      ARG 806   5.765 -22.047  11.422
  438    H    THR 807           H        THR 807   0.655 -20.659   4.764
  439    HA   THR 807           HA       THR 807   1.423 -23.184   3.520
  440    HB   THR 807           HB       THR 807  -1.044 -23.450   3.929
  441    HG1  THR 807           HG1      THR 807  -1.275 -24.348   1.862
  442   HG21  THR 807          HG21      THR 807  -1.776 -21.130   3.302
  443   HG22  THR 807          HG22      THR 807  -2.603 -22.391   2.386
  444   HG23  THR 807          HG23      THR 807  -1.296 -21.461   1.624
  445    H    ILE 808           H        ILE 808   1.253 -22.952   1.062
  446    HA   ILE 808           HA       ILE 808   2.137 -20.276   0.119
  447    HB   ILE 808           HB       ILE 808   3.864 -22.764  -0.224
  448   HG12  ILE 808          HG12      ILE 808   4.260 -20.457   1.727
  449   HG13  ILE 808          HG13      ILE 808   4.025 -22.159   2.120
  450   HG21  ILE 808          HG21      ILE 808   3.998 -21.039  -2.050
  451   HG22  ILE 808          HG22      ILE 808   4.492 -19.835  -0.845
  452   HG23  ILE 808          HG23      ILE 808   5.506 -21.257  -1.194
  453   HD11  ILE 808          HD11      ILE 808   6.493 -20.931   0.863
  454   HD12  ILE 808          HD12      ILE 808   6.322 -21.694   2.444
  455   HD13  ILE 808          HD13      ILE 808   6.204 -22.677   0.976
  456    H    SER 809           H        SER 809   1.692 -19.969  -2.052
  457    HA   SER 809           HA       SER 809   1.129 -22.136  -3.913
  458    HB2  SER 809           HB2      SER 809  -1.033 -21.978  -2.615
  459    HB3  SER 809           HB3      SER 809  -1.185 -20.296  -3.162
  460    HG   SER 809           HG       SER 809  -2.325 -21.881  -4.479
  461    H    LEU 810           H        LEU 810   0.168 -21.028  -6.020
  462    HA   LEU 810           HA       LEU 810   2.204 -18.947  -6.658
  463    HB2  LEU 810           HB2      LEU 810   0.594 -20.835  -8.431
  464    HB3  LEU 810           HB3      LEU 810   1.810 -19.703  -8.977
  465    HG   LEU 810           HG       LEU 810   2.798 -21.825  -8.997
  466   HD11  LEU 810          HD11      LEU 810   3.848 -20.488  -6.484
  467   HD12  LEU 810          HD12      LEU 810   4.247 -20.003  -8.155
  468   HD13  LEU 810          HD13      LEU 810   4.744 -21.586  -7.538
  469   HD21  LEU 810          HD21      LEU 810   1.284 -23.018  -7.419
  470   HD22  LEU 810          HD22      LEU 810   2.260 -22.387  -6.075
  471   HD23  LEU 810          HD23      LEU 810   3.009 -23.413  -7.278
  472    H    ASP 811           H        ASP 811  -1.227 -19.342  -6.417
  473    HA   ASP 811           HA       ASP 811  -1.833 -16.863  -7.945
  474    HB2  ASP 811           HB2      ASP 811  -3.175 -19.045  -8.176
  475    HB3  ASP 811           HB3      ASP 811  -3.736 -18.762  -6.526
  476    H    ARG 812           H        ARG 812  -3.420 -15.381  -6.863
  477    HA   ARG 812           HA       ARG 812  -2.258 -14.403  -4.421
  478    HB2  ARG 812           HB2      ARG 812  -3.801 -12.521  -4.630
  479    HB3  ARG 812           HB3      ARG 812  -2.846 -12.835  -6.053
  480    HG2  ARG 812           HG2      ARG 812  -5.010 -12.127  -6.691
  481    HG3  ARG 812           HG3      ARG 812  -4.802 -13.781  -7.221
  482    HD2  ARG 812           HD2      ARG 812  -6.194 -13.265  -4.579
  483    HD3  ARG 812           HD3      ARG 812  -7.033 -12.853  -6.085
  484    HE   ARG 812           HE       ARG 812  -6.002 -15.473  -6.400
  485   HH11  ARG 812          HH11      ARG 812  -8.647 -13.889  -4.645
  486   HH12  ARG 812          HH12      ARG 812  -9.619 -15.336  -4.699
  487   HH21  ARG 812          HH21      ARG 812  -7.197 -17.190  -6.399
  488   HH22  ARG 812          HH22      ARG 812  -8.820 -17.221  -5.718
  489    H    LEU 813           H        LEU 813  -4.360 -16.869  -4.615
  490    HA   LEU 813           HA       LEU 813  -4.599 -16.852  -1.757
  491    HB2  LEU 813           HB2      LEU 813  -6.719 -15.588  -2.681
  492    HB3  LEU 813           HB3      LEU 813  -7.221 -17.180  -3.250
  493    HG   LEU 813           HG       LEU 813  -7.140 -17.993  -0.856
  494   HD11  LEU 813          HD11      LEU 813  -7.140 -16.233   0.933
  495   HD12  LEU 813          HD12      LEU 813  -6.724 -15.010  -0.275
  496   HD13  LEU 813          HD13      LEU 813  -5.575 -16.300   0.127
  497   HD21  LEU 813          HD21      LEU 813  -9.251 -17.302  -1.895
  498   HD22  LEU 813          HD22      LEU 813  -8.934 -15.602  -1.459
  499   HD23  LEU 813          HD23      LEU 813  -9.218 -16.817  -0.194
  500    HA   PRO 814           HA       PRO 814  -4.011 -21.140  -3.033
  501    HB2  PRO 814           HB2      PRO 814  -4.158 -22.463  -0.641
  502    HB3  PRO 814           HB3      PRO 814  -2.800 -21.380  -1.056
  503    HG2  PRO 814           HG2      PRO 814  -5.273 -20.686   0.546
  504    HG3  PRO 814           HG3      PRO 814  -3.566 -20.400   1.002
  505    HD2  PRO 814           HD2      PRO 814  -5.034 -18.455  -0.122
  506    HD3  PRO 814           HD3      PRO 814  -3.335 -18.690  -0.618
  507    H    LYS 815           H        LYS 815  -5.157 -23.226  -3.112
  508    HA   LYS 815           HA       LYS 815  -8.039 -22.752  -3.410
  509    HB2  LYS 815           HB2      LYS 815  -7.964 -24.686  -4.875
  510    HB3  LYS 815           HB3      LYS 815  -6.753 -23.489  -5.289
  511    HG2  LYS 815           HG2      LYS 815  -5.557 -25.423  -5.577
  512    HG3  LYS 815           HG3      LYS 815  -5.080 -25.003  -3.930
  513    HD2  LYS 815           HD2      LYS 815  -6.815 -26.621  -3.084
  514    HD3  LYS 815           HD3      LYS 815  -7.184 -27.055  -4.765
  515    HE2  LYS 815           HE2      LYS 815  -4.751 -27.668  -5.048
  516    HE3  LYS 815           HE3      LYS 815  -4.513 -27.366  -3.320
  517    HZ1  LYS 815           HZ1      LYS 815  -6.106 -29.134  -2.854
  518    HZ2  LYS 815           HZ2      LYS 815  -4.898 -29.714  -3.786
  519    HZ3  LYS 815           HZ3      LYS 815  -6.358 -29.403  -4.442
  520    H    LYS 816           H        LYS 816  -6.181 -24.154  -1.002
  521    HA   LYS 816           HA       LYS 816  -8.188 -26.255  -0.328
  522    HB2  LYS 816           HB2      LYS 816  -6.359 -27.436   0.792
  523    HB3  LYS 816           HB3      LYS 816  -6.055 -27.116  -0.896
  524    HG2  LYS 816           HG2      LYS 816  -3.987 -26.651  -0.081
  525    HG3  LYS 816           HG3      LYS 816  -4.668 -25.039  -0.067
  526    HD2  LYS 816           HD2      LYS 816  -3.506 -25.311   1.995
  527    HD3  LYS 816           HD3      LYS 816  -5.205 -25.378   2.394
  528    HE2  LYS 816           HE2      LYS 816  -5.010 -27.944   2.264
  529    HE3  LYS 816           HE3      LYS 816  -3.258 -27.725   2.108
  530    HZ1  LYS 816           HZ1      LYS 816  -3.319 -26.587   4.285
  531    HZ2  LYS 816           HZ2      LYS 816  -3.907 -28.102   4.417
  532    HZ3  LYS 816           HZ3      LYS 816  -4.948 -26.850   4.371
  533    H    HIS 817           H        HIS 817  -8.782 -26.704   1.840
  534    HA   HIS 817           HA       HIS 817  -9.072 -24.347   3.597
  535    HB2  HIS 817           HB2      HIS 817 -10.054 -27.226   3.670
  536    HB3  HIS 817           HB3      HIS 817 -10.180 -26.189   5.065
  537    HD1  HIS 817           HD1      HIS 817 -12.703 -25.815   5.183
  538    HD2  HIS 817           HD2      HIS 817 -11.018 -24.996   1.418
  539    HE1  HIS 817           HE1      HIS 817 -14.572 -24.810   3.767
  540    H    CYS 818           H        CYS 818  -8.540 -24.497   5.925
  541    HA   CYS 818           HA       CYS 818  -5.806 -25.016   6.435
  542    HB2  CYS 818           HB2      CYS 818  -7.221 -23.353   7.531
  543    HB3  CYS 818           HB3      CYS 818  -8.161 -24.635   8.316
  544    H    SER 819           H        SER 819  -4.721 -26.681   7.270
  545    HA   SER 819           HA       SER 819  -5.914 -29.339   7.572
  546    HB2  SER 819           HB2      SER 819  -3.097 -28.410   8.236
  547    HB3  SER 819           HB3      SER 819  -3.648 -30.081   8.002
  548    HG   SER 819           HG       SER 819  -2.628 -29.367   6.134
  549    H    THR 820           H        THR 820  -5.371 -26.675   9.709
  550    HA   THR 820           HA       THR 820  -5.072 -28.399  12.125
  551    HB   THR 820           HB       THR 820  -4.634 -25.412  11.691
  552    HG1  THR 820           HG1      THR 820  -2.812 -27.603  11.940
  553   HG21  THR 820          HG21      THR 820  -3.296 -25.536  13.779
  554   HG22  THR 820          HG22      THR 820  -3.878 -27.193  14.046
  555   HG23  THR 820          HG23      THR 820  -5.016 -25.817  14.069
  556    H    CYS 821           H        CYS 821  -7.294 -25.945  10.789
  557    HA   CYS 821           HA       CYS 821  -9.202 -26.690  12.948
  558    HB2  CYS 821           HB2      CYS 821  -9.871 -24.436  13.255
  559    HB3  CYS 821           HB3      CYS 821  -8.127 -24.535  13.503
  560    H    GLY 822           H        GLY 822  -8.832 -26.273   9.572
  561    HA2  GLY 822           HA2      GLY 822 -10.185 -27.456   8.085
  562    HA3  GLY 822           HA3      GLY 822 -11.500 -27.472   9.276
  563    H    LEU 823           H        LEU 823 -10.788 -24.282   9.151
  564    HA   LEU 823           HA       LEU 823 -12.884 -23.751   7.132
  565    HB2  LEU 823           HB2      LEU 823 -12.965 -21.507   8.116
  566    HB3  LEU 823           HB3      LEU 823 -13.283 -22.807   9.236
  567    HG   LEU 823           HG       LEU 823 -11.160 -22.558  10.310
  568   HD11  LEU 823          HD11      LEU 823  -9.607 -21.889   8.579
  569   HD12  LEU 823          HD12      LEU 823  -9.660 -20.578   9.765
  570   HD13  LEU 823          HD13      LEU 823 -10.543 -20.422   8.236
  571   HD21  LEU 823          HD21      LEU 823 -13.041 -21.152  11.038
  572   HD22  LEU 823          HD22      LEU 823 -12.524 -19.866   9.925
  573   HD23  LEU 823          HD23      LEU 823 -11.497 -20.316  11.297
  574    H    PHE 824           H        PHE 824 -12.430 -21.330   6.192
  575    HA   PHE 824           HA       PHE 824  -9.863 -21.372   4.682
  576    HB2  PHE 824           HB2      PHE 824 -11.732 -22.461   3.422
  577    HB3  PHE 824           HB3      PHE 824 -12.652 -20.979   3.511
  578    HD1  PHE 824           HD1      PHE 824  -9.533 -22.524   2.198
  579    HD2  PHE 824           HD2      PHE 824 -12.245 -19.193   1.908
  580    HE1  PHE 824           HE1      PHE 824  -8.422 -21.806   0.102
  581    HE2  PHE 824           HE2      PHE 824 -11.149 -18.481  -0.187
  582    HZ   PHE 824           HZ       PHE 824  -9.236 -19.777  -1.106
  583    H    LYS 825           H        LYS 825  -9.134 -19.751   6.105
  584    HA   LYS 825           HA       LYS 825 -10.181 -17.002   5.591
  585    HB2  LYS 825           HB2      LYS 825  -9.524 -18.233   8.305
  586    HB3  LYS 825           HB3      LYS 825  -9.801 -16.521   8.055
  587    HG2  LYS 825           HG2      LYS 825 -11.899 -18.659   7.516
  588    HG3  LYS 825           HG3      LYS 825 -11.753 -17.708   8.992
  589    HD2  LYS 825           HD2      LYS 825 -12.100 -15.613   7.702
  590    HD3  LYS 825           HD3      LYS 825 -12.294 -16.562   6.213
  591    HE2  LYS 825           HE2      LYS 825 -14.210 -17.782   7.243
  592    HE3  LYS 825           HE3      LYS 825 -14.021 -16.831   8.717
  593    HZ1  LYS 825           HZ1      LYS 825 -15.742 -15.908   7.299
  594    HZ2  LYS 825           HZ2      LYS 825 -14.697 -15.722   6.051
  595    HZ3  LYS 825           HZ3      LYS 825 -14.519 -14.834   7.415
  596    H    TRP 826           H        TRP 826  -7.965 -18.320   4.363
  597    HA   TRP 826           HA       TRP 826  -5.440 -17.641   5.417
  598    HB2  TRP 826           HB2      TRP 826  -6.363 -17.855   2.528
  599    HB3  TRP 826           HB3      TRP 826  -4.689 -17.831   3.050
  600    HD1  TRP 826           HD1      TRP 826  -7.353 -20.155   2.212
  601    HE1  TRP 826           HE1      TRP 826  -6.735 -22.566   2.822
  602    HE3  TRP 826           HE3      TRP 826  -3.411 -19.204   5.348
  603    HZ2  TRP 826           HZ2      TRP 826  -4.884 -23.905   4.591
  604    HZ3  TRP 826           HZ3      TRP 826  -2.261 -21.069   6.505
  605    HH2  TRP 826           HH2      TRP 826  -2.977 -23.424   6.133
  606    H    GLU 827           H        GLU 827  -4.168 -15.899   5.403
  607    HA   GLU 827           HA       GLU 827  -4.993 -13.399   3.987
  608    HB2  GLU 827           HB2      GLU 827  -5.392 -13.353   6.449
  609    HB3  GLU 827           HB3      GLU 827  -3.689 -13.708   6.732
  610    HG2  GLU 827           HG2      GLU 827  -4.061 -11.340   7.054
  611    HG3  GLU 827           HG3      GLU 827  -3.065 -11.566   5.634
  612    H    ARG 828           H        ARG 828  -3.370 -12.369   2.858
  613    HA   ARG 828           HA       ARG 828  -0.917 -13.734   2.244
  614    HB2  ARG 828           HB2      ARG 828  -2.175 -12.232   0.697
  615    HB3  ARG 828           HB3      ARG 828  -1.779 -10.859   1.726
  616    HG2  ARG 828           HG2      ARG 828  -0.317 -10.766  -0.131
  617    HG3  ARG 828           HG3      ARG 828   0.682 -11.285   1.224
  618    HD2  ARG 828           HD2      ARG 828   0.678 -13.592   0.410
  619    HD3  ARG 828           HD3      ARG 828  -0.542 -13.197  -0.792
  620    HE   ARG 828           HE       ARG 828   1.016 -12.112  -2.127
  621   HH11  ARG 828          HH11      ARG 828   2.748 -12.963   0.883
  622   HH12  ARG 828          HH12      ARG 828   4.283 -12.803   0.072
  623   HH21  ARG 828          HH21      ARG 828   3.128 -11.942  -3.010
  624   HH22  ARG 828          HH22      ARG 828   4.471 -12.227  -1.941
  625    H    VAL 829           H        VAL 829   0.905 -13.754   3.360
  626    HA   VAL 829           HA       VAL 829   1.624 -11.537   5.260
  627    HB   VAL 829           HB       VAL 829   2.910 -13.181   6.589
  628   HG11  VAL 829          HG11      VAL 829   1.015 -14.027   7.837
  629   HG12  VAL 829          HG12      VAL 829   0.674 -12.381   7.273
  630   HG13  VAL 829          HG13      VAL 829  -0.074 -13.771   6.456
  631   HG21  VAL 829          HG21      VAL 829   3.122 -15.011   4.898
  632   HG22  VAL 829          HG22      VAL 829   2.456 -15.566   6.441
  633   HG23  VAL 829          HG23      VAL 829   1.383 -15.323   5.056
  634    H    GLY 830           H        GLY 830   4.084 -11.568   5.719
  635    HA2  GLY 830           HA2      GLY 830   5.361 -11.065   3.157
  636    HA3  GLY 830           HA3      GLY 830   6.065 -10.804   4.756
  637    H    MET 831           H        MET 831   7.884 -11.562   3.324
  638    HA   MET 831           HA       MET 831   8.286 -14.275   2.582
  639    HB2  MET 831           HB2      MET 831   9.664 -12.319   1.884
  640    HB3  MET 831           HB3      MET 831  10.347 -12.236   3.504
  641    HG2  MET 831           HG2      MET 831  11.303 -14.499   3.243
  642    HG3  MET 831           HG3      MET 831  10.570 -14.631   1.633
  643    HE1  MET 831           HE1      MET 831  14.418 -14.432   0.956
  644    HE2  MET 831           HE2      MET 831  13.602 -15.198   2.327
  645    HE3  MET 831           HE3      MET 831  12.936 -15.354   0.678
  646    H    LEU 832           H        LEU 832   9.139 -16.048   3.599
  647    HA   LEU 832           HA       LEU 832   8.691 -16.321   6.444
  648    HB2  LEU 832           HB2      LEU 832   9.836 -18.161   4.303
  649    HB3  LEU 832           HB3      LEU 832   9.749 -18.616   5.998
  650    HG   LEU 832           HG       LEU 832   7.300 -18.367   6.005
  651   HD11  LEU 832          HD11      LEU 832   6.083 -18.307   3.787
  652   HD12  LEU 832          HD12      LEU 832   7.605 -17.790   3.026
  653   HD13  LEU 832          HD13      LEU 832   6.809 -16.767   4.247
  654   HD21  LEU 832          HD21      LEU 832   6.838 -20.400   4.693
  655   HD22  LEU 832          HD22      LEU 832   8.397 -20.543   5.515
  656   HD23  LEU 832          HD23      LEU 832   8.338 -20.180   3.770
  657    H    LYS 833           H        LYS 833  10.004 -15.724   7.988
  658    HA   LYS 833           HA       LYS 833  12.896 -15.330   7.524
  659    HB2  LYS 833           HB2      LYS 833  12.793 -14.025   9.623
  660    HB3  LYS 833           HB3      LYS 833  11.756 -13.452   8.349
  661    HG2  LYS 833           HG2      LYS 833  10.645 -13.197  10.427
  662    HG3  LYS 833           HG3      LYS 833   9.763 -14.389   9.491
  663    HD2  LYS 833           HD2      LYS 833  10.688 -16.209  10.838
  664    HD3  LYS 833           HD3      LYS 833  11.747 -15.088  11.708
  665    HE2  LYS 833           HE2      LYS 833   8.698 -14.978  11.723
  666    HE3  LYS 833           HE3      LYS 833   9.654 -15.832  12.930
  667    HZ1  LYS 833           HZ1      LYS 833   9.785 -12.903  12.421
  668    HZ2  LYS 833           HZ2      LYS 833  10.706 -13.712  13.504
  669    HZ3  LYS 833           HZ3      LYS 833   9.085 -13.634  13.708
  670    H    GLU 834           H        GLU 834  11.373 -17.976   8.252
  671    HA   GLU 834           HA       GLU 834  12.403 -18.854  10.792
  672    HB2  GLU 834           HB2      GLU 834  11.313 -20.438   8.436
  673    HB3  GLU 834           HB3      GLU 834  11.700 -21.118  10.019
  674    HG2  GLU 834           HG2      GLU 834  10.079 -19.547  11.084
  675    HG3  GLU 834           HG3      GLU 834   9.624 -18.945   9.496
  676    H    LYS 835           H        LYS 835  14.163 -20.046  11.367
  677    HA   LYS 835           HA       LYS 835  16.522 -19.824   9.752
  678    HB2  LYS 835           HB2      LYS 835  15.925 -21.121  12.444
  679    HB3  LYS 835           HB3      LYS 835  17.544 -20.917  11.786
  680    HG2  LYS 835           HG2      LYS 835  17.355 -18.510  11.768
  681    HG3  LYS 835           HG3      LYS 835  15.653 -18.566  12.284
  682    HD2  LYS 835           HD2      LYS 835  16.271 -19.627  14.403
  683    HD3  LYS 835           HD3      LYS 835  17.962 -19.678  13.922
  684    HE2  LYS 835           HE2      LYS 835  16.318 -17.114  14.234
  685    HE3  LYS 835           HE3      LYS 835  17.332 -17.805  15.506
  686    HZ1  LYS 835           HZ1      LYS 835  19.242 -17.548  14.010
  687    HZ2  LYS 835           HZ2      LYS 835  18.540 -16.107  14.342
  688    HZ3  LYS 835           HZ3      LYS 835  18.301 -16.813  12.893
  689    H    THR 836           H        THR 836  18.080 -21.518   9.508
  690    HA   THR 836           HA       THR 836  19.005 -23.543   9.111
  691    HB   THR 836           HB       THR 836  16.267 -24.863   9.257
  692    HG1  THR 836           HG1      THR 836  16.911 -25.282  11.382
  693   HG21  THR 836          HG21      THR 836  19.110 -25.977   9.437
  694   HG22  THR 836          HG22      THR 836  17.936 -26.292   8.134
  695   HG23  THR 836          HG23      THR 836  17.625 -26.894   9.771
  696    H    GLY 837           H        GLY 837  19.705 -24.399   7.268
  697    HA2  GLY 837           HA2      GLY 837  18.169 -24.949   4.921
  698    HA3  GLY 837           HA3      GLY 837  18.930 -23.381   4.742
  699    HA   PRO 838           HA       PRO 838  21.847 -26.943   3.641
  700    HB2  PRO 838           HB2      PRO 838  22.127 -26.557   0.938
  701    HB3  PRO 838           HB3      PRO 838  20.781 -27.485   1.654
  702    HG2  PRO 838           HG2      PRO 838  20.780 -24.573   0.802
  703    HG3  PRO 838           HG3      PRO 838  19.586 -25.843   0.405
  704    HD2  PRO 838           HD2      PRO 838  19.214 -24.068   2.448
  705    HD3  PRO 838           HD3      PRO 838  18.671 -25.774   2.591
  706    H    LYS 839           H        LYS 839  24.028 -26.722   3.661
  707    HA   LYS 839           HA       LYS 839  25.190 -24.008   3.681
  708    HB2  LYS 839           HB2      LYS 839  26.408 -26.732   4.291
  709    HB3  LYS 839           HB3      LYS 839  27.144 -25.179   4.636
  710    HG2  LYS 839           HG2      LYS 839  24.642 -26.341   5.935
  711    HG3  LYS 839           HG3      LYS 839  26.228 -26.152   6.663
  712    HD2  LYS 839           HD2      LYS 839  24.356 -23.885   5.839
  713    HD3  LYS 839           HD3      LYS 839  24.676 -24.455   7.482
  714    HE2  LYS 839           HE2      LYS 839  27.067 -23.826   7.255
  715    HE3  LYS 839           HE3      LYS 839  26.759 -23.230   5.616
  716    HZ1  LYS 839           HZ1      LYS 839  26.730 -21.452   7.269
  717    HZ2  LYS 839           HZ2      LYS 839  25.487 -22.150   8.067
  718    HZ3  LYS 839           HZ3      LYS 839  25.268 -21.579   6.551
  719    H    LEU 840           H        LEU 840  24.827 -26.340   1.305
  720    HA   LEU 840           HA       LEU 840  27.176 -25.395  -0.315
  721    HB2  LEU 840           HB2      LEU 840  26.006 -28.209  -0.100
  722    HB3  LEU 840           HB3      LEU 840  27.272 -27.720  -1.226
  723    HG   LEU 840           HG       LEU 840  27.558 -27.702   1.808
  724   HD11  LEU 840          HD11      LEU 840  29.001 -29.665   1.452
  725   HD12  LEU 840          HD12      LEU 840  28.643 -29.630  -0.289
  726   HD13  LEU 840          HD13      LEU 840  27.344 -29.972   0.892
  727   HD21  LEU 840          HD21      LEU 840  29.986 -27.409   1.313
  728   HD22  LEU 840          HD22      LEU 840  29.039 -26.035   0.752
  729   HD23  LEU 840          HD23      LEU 840  29.602 -27.248  -0.419
  730    H    GLY 841           H        GLY 841  26.928 -25.781  -2.627
  731    HA2  GLY 841           HA2      GLY 841  24.263 -25.009  -3.677
  732    HA3  GLY 841           HA3      GLY 841  25.802 -25.069  -4.564
  733    H    GLY 842           H        GLY 842  24.699 -26.116  -6.260
  734    HA2  GLY 842           HA2      GLY 842  24.843 -28.996  -6.271
  735    HA3  GLY 842           HA3      GLY 842  23.165 -28.454  -6.228
  Start of MODEL    4
    1    H1   GLY  -4           H1       GLY  -4  14.246   2.003   8.339
    2    H2   GLY  -4           H2       GLY  -4  15.108   3.284   7.804
    3    H3   GLY  -4           H3       GLY  -4  14.683   3.180   9.389
    4    HA2  GLY  -4           HA2      GLY  -4  17.015   2.639   9.121
    5    HA3  GLY  -4           HA3      GLY  -4  16.084   1.260   9.726
    6    HA   PRO  -3           HA       PRO  -3  18.337   0.420   5.587
    7    HB2  PRO  -3           HB2      PRO  -3  20.621  -0.858   6.353
    8    HB3  PRO  -3           HB3      PRO  -3  20.465   0.923   6.333
    9    HG2  PRO  -3           HG2      PRO  -3  20.123  -0.930   8.721
   10    HG3  PRO  -3           HG3      PRO  -3  21.139   0.537   8.605
   11    HD2  PRO  -3           HD2      PRO  -3  18.627   0.598   9.672
   12    HD3  PRO  -3           HD3      PRO  -3  19.251   1.959   8.686
   13    H    MET  -2           H        MET  -2  17.454  -1.571   8.353
   14    HA   MET  -2           HA       MET  -2  17.821  -4.134   7.026
   15    HB2  MET  -2           HB2      MET  -2  16.395  -3.398   9.613
   16    HB3  MET  -2           HB3      MET  -2  16.804  -5.042   9.091
   17    HG2  MET  -2           HG2      MET  -2  18.808  -2.841   9.718
   18    HG3  MET  -2           HG3      MET  -2  18.382  -4.204  10.755
   19    HE1  MET  -2           HE1      MET  -2  20.975  -4.667  11.025
   20    HE2  MET  -2           HE2      MET  -2  22.093  -4.914   9.666
   21    HE3  MET  -2           HE3      MET  -2  21.335  -3.321   9.925
   22    H    GLY  -1           H        GLY  -1  15.505  -1.856   6.422
   23    HA2  GLY  -1           HA2      GLY  -1  13.080  -3.469   6.302
   24    HA3  GLY  -1           HA3      GLY  -1  13.343  -1.878   5.561
   25    H    MET 755           H        MET 755  11.876  -3.900   4.336
   26    HA   MET 755           HA       MET 755  13.388  -5.434   2.426
   27    HB2  MET 755           HB2      MET 755  10.464  -4.568   2.456
   28    HB3  MET 755           HB3      MET 755  11.152  -5.673   1.263
   29    HG2  MET 755           HG2      MET 755  11.173  -6.184   4.265
   30    HG3  MET 755           HG3      MET 755   9.978  -6.807   3.137
   31    HE1  MET 755           HE1      MET 755  10.394  -9.254   4.049
   32    HE2  MET 755           HE2      MET 755  12.007  -9.989   4.194
   33    HE3  MET 755           HE3      MET 755  11.587  -8.580   5.182
   34    H    GLN 756           H        GLN 756  14.017  -5.042   0.385
   35    HA   GLN 756           HA       GLN 756  13.575  -2.327  -0.824
   36    HB2  GLN 756           HB2      GLN 756  15.966  -4.209  -1.035
   37    HB3  GLN 756           HB3      GLN 756  15.778  -2.680  -1.907
   38    HG2  GLN 756           HG2      GLN 756  15.624  -1.459   0.251
   39    HG3  GLN 756           HG3      GLN 756  15.964  -2.954   1.126
   40   HE21  GLN 756          HE21      GLN 756  17.544  -0.353   0.908
   41   HE22  GLN 756          HE22      GLN 756  19.132  -0.876   0.364
   42    H    SER 757           H        SER 757  12.109  -5.118  -1.100
   43    HA   SER 757           HA       SER 757  11.605  -4.937  -3.954
   44    HB2  SER 757           HB2      SER 757  13.736  -6.309  -3.795
   45    HB3  SER 757           HB3      SER 757  12.788  -7.537  -2.937
   46    HG   SER 757           HG       SER 757  12.957  -7.851  -5.272
   47    H    ILE 758           H        ILE 758  10.188  -7.073  -4.505
   48    HA   ILE 758           HA       ILE 758   7.801  -6.713  -2.822
   49    HB   ILE 758           HB       ILE 758   7.985  -8.481  -5.292
   50   HG12  ILE 758          HG12      ILE 758   6.863  -6.356  -6.406
   51   HG13  ILE 758          HG13      ILE 758   7.730  -5.456  -5.165
   52   HG21  ILE 758          HG21      ILE 758   5.574  -7.971  -5.446
   53   HG22  ILE 758          HG22      ILE 758   5.943  -8.664  -3.867
   54   HG23  ILE 758          HG23      ILE 758   5.693  -6.916  -4.022
   55   HD11  ILE 758          HD11      ILE 758   8.987  -7.363  -7.207
   56   HD12  ILE 758          HD12      ILE 758   8.861  -5.607  -7.406
   57   HD13  ILE 758          HD13      ILE 758   9.880  -6.266  -6.126
   58    H    ARG 759           H        ARG 759   6.716  -8.315  -1.696
   59    HA   ARG 759           HA       ARG 759   8.372 -10.321  -0.452
   60    HB2  ARG 759           HB2      ARG 759   6.592 -10.525   1.133
   61    HB3  ARG 759           HB3      ARG 759   6.932  -8.838   0.774
   62    HG2  ARG 759           HG2      ARG 759   4.886  -9.094  -0.934
   63    HG3  ARG 759           HG3      ARG 759   4.487 -10.483   0.101
   64    HD2  ARG 759           HD2      ARG 759   4.720  -8.903   2.082
   65    HD3  ARG 759           HD3      ARG 759   4.816  -7.578   0.913
   66    HE   ARG 759           HE       ARG 759   2.554  -8.599   0.066
   67   HH11  ARG 759          HH11      ARG 759   3.427  -8.262   3.491
   68   HH12  ARG 759          HH12      ARG 759   1.769  -8.141   3.986
   69   HH21  ARG 759          HH21      ARG 759   0.444  -8.406   0.792
   70   HH22  ARG 759          HH22      ARG 759   0.123  -8.270   2.498
   71    H    GLU 760           H        GLU 760   8.274 -11.146  -2.915
   72    HA   GLU 760           HA       GLU 760   7.356 -13.886  -2.746
   73    HB2  GLU 760           HB2      GLU 760   6.065 -13.842  -4.892
   74    HB3  GLU 760           HB3      GLU 760   5.278 -13.143  -3.496
   75    HG2  GLU 760           HG2      GLU 760   5.897 -10.850  -4.377
   76    HG3  GLU 760           HG3      GLU 760   6.562 -11.641  -5.814
   77    H    GLN 761           H        GLN 761   8.134 -15.222  -4.579
   78    HA   GLN 761           HA       GLN 761  10.472 -14.090  -5.997
   79    HB2  GLN 761           HB2      GLN 761  12.027 -15.624  -4.907
   80    HB3  GLN 761           HB3      GLN 761  11.280 -14.549  -3.725
   81    HG2  GLN 761           HG2      GLN 761   9.645 -16.441  -3.188
   82    HG3  GLN 761           HG3      GLN 761  10.599 -17.486  -4.233
   83   HE21  GLN 761          HE21      GLN 761  10.880 -15.349  -1.330
   84   HE22  GLN 761          HE22      GLN 761  12.165 -16.292  -0.592
   85    H    SER 762           H        SER 762  11.123 -15.195  -7.782
   86    HA   SER 762           HA       SER 762   9.228 -16.995  -8.941
   87    HB2  SER 762           HB2      SER 762  11.980 -16.196  -9.948
   88    HB3  SER 762           HB3      SER 762  10.665 -16.915 -10.899
   89    HG   SER 762           HG       SER 762  10.800 -14.590 -11.102
   90    H    CYS 763           H        CYS 763   9.479 -19.109  -9.724
   91    HA   CYS 763           HA       CYS 763  11.799 -20.763  -9.096
   92    HB2  CYS 763           HB2      CYS 763  10.471 -20.507  -6.901
   93    HB3  CYS 763           HB3      CYS 763   9.180 -21.446  -7.673
   94    HG   CYS 763           HG       CYS 763  10.577 -23.001  -6.050
   95    H    ARG 764           H        ARG 764  11.420 -23.091  -9.804
   96    HA   ARG 764           HA       ARG 764   9.772 -23.226 -12.237
   97    HB2  ARG 764           HB2      ARG 764  12.112 -24.317 -11.908
   98    HB3  ARG 764           HB3      ARG 764  11.246 -25.573 -11.010
   99    HG2  ARG 764           HG2      ARG 764   9.754 -25.870 -13.060
  100    HG3  ARG 764           HG3      ARG 764  10.753 -24.683 -13.890
  101    HD2  ARG 764           HD2      ARG 764  11.524 -26.768 -14.620
  102    HD3  ARG 764           HD3      ARG 764  12.742 -26.220 -13.454
  103    HE   ARG 764           HE       ARG 764  10.817 -27.799 -12.072
  104   HH11  ARG 764          HH11      ARG 764  13.324 -28.337 -14.505
  105   HH12  ARG 764          HH12      ARG 764  13.413 -30.043 -14.162
  106   HH21  ARG 764          HH21      ARG 764  10.950 -29.991 -11.707
  107   HH22  ARG 764          HH22      ARG 764  12.128 -30.945 -12.556
  108    H    VAL 765           H        VAL 765   7.932 -24.432 -12.471
  109    HA   VAL 765           HA       VAL 765   6.627 -25.749 -10.128
  110    HB   VAL 765           HB       VAL 765   4.519 -24.498 -10.664
  111   HG11  VAL 765          HG11      VAL 765   5.091 -22.423  -9.507
  112   HG12  VAL 765          HG12      VAL 765   5.869 -23.819  -8.732
  113   HG13  VAL 765          HG13      VAL 765   6.810 -22.718  -9.756
  114   HG21  VAL 765          HG21      VAL 765   5.171 -23.727 -12.954
  115   HG22  VAL 765          HG22      VAL 765   4.558 -22.429 -11.923
  116   HG23  VAL 765          HG23      VAL 765   6.297 -22.589 -12.214
  117    H    VAL 766           H        VAL 766   4.649 -26.874 -10.726
  118    HA   VAL 766           HA       VAL 766   4.672 -27.929 -13.527
  119    HB   VAL 766           HB       VAL 766   5.732 -29.583 -12.156
  120   HG11  VAL 766          HG11      VAL 766   5.010 -29.020  -9.909
  121   HG12  VAL 766          HG12      VAL 766   3.331 -29.485 -10.284
  122   HG13  VAL 766          HG13      VAL 766   4.603 -30.695 -10.257
  123   HG21  VAL 766          HG21      VAL 766   4.365 -31.524 -12.535
  124   HG22  VAL 766          HG22      VAL 766   2.890 -30.549 -12.570
  125   HG23  VAL 766          HG23      VAL 766   4.096 -30.381 -13.865
  126    H    THR 767           H        THR 767   2.739 -28.143 -14.486
  127    HA   THR 767           HA       THR 767   0.246 -27.914 -12.839
  128    HB   THR 767           HB       THR 767   0.628 -27.321 -15.794
  129    HG1  THR 767           HG1      THR 767   1.275 -25.614 -14.515
  130   HG21  THR 767          HG21      THR 767  -1.886 -27.189 -14.054
  131   HG22  THR 767          HG22      THR 767  -1.597 -28.357 -15.354
  132   HG23  THR 767          HG23      THR 767  -1.739 -26.636 -15.741
  133    H    CYS 768           H        CYS 768  -0.561 -29.832 -12.388
  134    HA   CYS 768           HA       CYS 768  -0.065 -32.231 -14.023
  135    HB2  CYS 768           HB2      CYS 768  -0.222 -32.321 -11.504
  136    HB3  CYS 768           HB3      CYS 768  -1.925 -31.836 -11.642
  137    H    LYS 769           H        LYS 769  -1.216 -32.646 -15.794
  138    HA   LYS 769           HA       LYS 769  -3.579 -31.023 -16.516
  139    HB2  LYS 769           HB2      LYS 769  -2.178 -33.281 -17.997
  140    HB3  LYS 769           HB3      LYS 769  -3.365 -32.182 -18.675
  141    HG2  LYS 769           HG2      LYS 769  -0.546 -31.479 -17.735
  142    HG3  LYS 769           HG3      LYS 769  -1.103 -31.598 -19.395
  143    HD2  LYS 769           HD2      LYS 769  -2.063 -29.529 -17.378
  144    HD3  LYS 769           HD3      LYS 769  -0.846 -29.272 -18.638
  145    HE2  LYS 769           HE2      LYS 769  -2.542 -29.849 -20.378
  146    HE3  LYS 769           HE3      LYS 769  -3.769 -30.001 -19.113
  147    HZ1  LYS 769           HZ1      LYS 769  -2.281 -27.513 -19.724
  148    HZ2  LYS 769           HZ2      LYS 769  -3.419 -27.663 -18.560
  149    HZ3  LYS 769           HZ3      LYS 769  -3.835 -27.812 -20.125
  150    H    THR 770           H        THR 770  -2.953 -34.169 -15.177
  151    HA   THR 770           HA       THR 770  -5.508 -35.378 -15.873
  152    HB   THR 770           HB       THR 770  -3.483 -36.169 -13.749
  153    HG1  THR 770           HG1      THR 770  -3.808 -37.026 -16.447
  154   HG21  THR 770          HG21      THR 770  -5.584 -37.358 -13.408
  155   HG22  THR 770          HG22      THR 770  -4.425 -38.462 -14.168
  156   HG23  THR 770          HG23      THR 770  -5.719 -37.722 -15.136
  157    H    CYS 771           H        CYS 771  -4.254 -33.750 -12.908
  158    HA   CYS 771           HA       CYS 771  -6.918 -33.925 -11.636
  159    HB2  CYS 771           HB2      CYS 771  -4.236 -32.916 -10.650
  160    HB3  CYS 771           HB3      CYS 771  -5.690 -33.073  -9.672
  161    H    LYS 772           H        LYS 772  -5.019 -31.596 -13.368
  162    HA   LYS 772           HA       LYS 772  -5.344 -29.486 -14.065
  163    HB2  LYS 772           HB2      LYS 772  -8.226 -29.743 -13.072
  164    HB3  LYS 772           HB3      LYS 772  -7.565 -28.491 -14.099
  165    HG2  LYS 772           HG2      LYS 772  -8.533 -29.799 -15.676
  166    HG3  LYS 772           HG3      LYS 772  -6.882 -30.438 -15.714
  167    HD2  LYS 772           HD2      LYS 772  -7.631 -32.325 -14.250
  168    HD3  LYS 772           HD3      LYS 772  -9.269 -31.654 -14.238
  169    HE2  LYS 772           HE2      LYS 772  -9.434 -31.991 -16.674
  170    HE3  LYS 772           HE3      LYS 772  -7.741 -32.512 -16.727
  171    HZ1  LYS 772           HZ1      LYS 772  -8.366 -34.387 -15.281
  172    HZ2  LYS 772           HZ2      LYS 772  -9.191 -34.417 -16.703
  173    HZ3  LYS 772           HZ3      LYS 772  -9.941 -33.929 -15.333
  174    H    TYR 773           H        TYR 773  -3.776 -29.405 -12.108
  175    HA   TYR 773           HA       TYR 773  -4.421 -26.856 -10.773
  176    HB2  TYR 773           HB2      TYR 773  -3.873 -27.529  -8.560
  177    HB3  TYR 773           HB3      TYR 773  -5.133 -28.600  -9.137
  178    HD1  TYR 773           HD1      TYR 773  -1.438 -28.343  -8.492
  179    HD2  TYR 773           HD2      TYR 773  -4.768 -30.988  -9.184
  180    HE1  TYR 773           HE1      TYR 773  -0.020 -30.294  -7.874
  181    HE2  TYR 773           HE2      TYR 773  -3.401 -32.900  -8.376
  182    HH   TYR 773           HH       TYR 773   0.055 -32.517  -7.467
  183    H    THR 774           H        THR 774  -2.575 -25.750  -9.905
  184    HA   THR 774           HA       THR 774   0.057 -26.520 -11.105
  185    HB   THR 774           HB       THR 774  -0.947 -23.739 -10.410
  186    HG1  THR 774           HG1      THR 774  -0.607 -24.921 -12.984
  187   HG21  THR 774          HG21      THR 774   1.524 -24.711 -11.937
  188   HG22  THR 774          HG22      THR 774   1.505 -23.845 -10.386
  189   HG23  THR 774          HG23      THR 774   0.973 -23.019 -11.857
  190    H    HIS 775           H        HIS 775   1.741 -26.784  -9.763
  191    HA   HIS 775           HA       HIS 775   1.941 -25.506  -7.160
  192    HB2  HIS 775           HB2      HIS 775   0.972 -28.281  -7.384
  193    HB3  HIS 775           HB3      HIS 775   2.368 -28.143  -6.348
  194    HD1  HIS 775           HD1      HIS 775   2.067 -26.390  -4.181
  195    HD2  HIS 775           HD2      HIS 775  -1.340 -27.373  -6.441
  196    HE1  HIS 775           HE1      HIS 775   0.067 -25.669  -2.796
  197    H    PHE 776           H        PHE 776   3.997 -26.491  -5.970
  198    HA   PHE 776           HA       PHE 776   6.213 -25.782  -7.595
  199    HB2  PHE 776           HB2      PHE 776   6.512 -27.317  -5.016
  200    HB3  PHE 776           HB3      PHE 776   7.483 -25.999  -5.632
  201    HD1  PHE 776           HD1      PHE 776   6.413 -23.611  -5.664
  202    HD2  PHE 776           HD2      PHE 776   4.754 -26.941  -3.474
  203    HE1  PHE 776           HE1      PHE 776   5.022 -22.056  -4.318
  204    HE2  PHE 776           HE2      PHE 776   3.386 -25.377  -2.128
  205    HZ   PHE 776           HZ       PHE 776   3.497 -22.925  -2.572
  206    H    LYS 777           H        LYS 777   4.949 -28.952  -6.667
  207    HA   LYS 777           HA       LYS 777   6.550 -30.375  -8.639
  208    HB2  LYS 777           HB2      LYS 777   7.709 -31.824  -7.052
  209    HB3  LYS 777           HB3      LYS 777   8.150 -30.140  -6.789
  210    HG2  LYS 777           HG2      LYS 777   6.517 -30.042  -4.864
  211    HG3  LYS 777           HG3      LYS 777   6.169 -31.762  -5.117
  212    HD2  LYS 777           HD2      LYS 777   8.561 -32.299  -4.747
  213    HD3  LYS 777           HD3      LYS 777   8.889 -30.573  -4.498
  214    HE2  LYS 777           HE2      LYS 777   7.327 -30.556  -2.559
  215    HE3  LYS 777           HE3      LYS 777   6.965 -32.268  -2.831
  216    HZ1  LYS 777           HZ1      LYS 777   8.633 -31.999  -1.104
  217    HZ2  LYS 777           HZ2      LYS 777   9.627 -31.172  -2.096
  218    HZ3  LYS 777           HZ3      LYS 777   9.316 -32.750  -2.369
  219    HA   PRO 778           HA       PRO 778   2.985 -32.986  -8.445
  220    HB2  PRO 778           HB2      PRO 778   3.756 -35.305  -9.587
  221    HB3  PRO 778           HB3      PRO 778   3.718 -33.766 -10.495
  222    HG2  PRO 778           HG2      PRO 778   6.114 -35.087  -9.169
  223    HG3  PRO 778           HG3      PRO 778   5.987 -34.445 -10.839
  224    HD2  PRO 778           HD2      PRO 778   7.053 -32.990  -8.779
  225    HD3  PRO 778           HD3      PRO 778   6.133 -32.225 -10.107
  226    H    LYS 779           H        LYS 779   1.991 -34.813  -7.336
  227    HA   LYS 779           HA       LYS 779   3.259 -35.524  -4.807
  228    HB2  LYS 779           HB2      LYS 779   0.683 -36.444  -6.132
  229    HB3  LYS 779           HB3      LYS 779   1.196 -36.900  -4.500
  230    HG2  LYS 779           HG2      LYS 779   1.221 -34.538  -3.802
  231    HG3  LYS 779           HG3      LYS 779   0.690 -34.052  -5.413
  232    HD2  LYS 779           HD2      LYS 779  -0.871 -35.805  -3.471
  233    HD3  LYS 779           HD3      LYS 779  -1.172 -34.098  -3.794
  234    HE2  LYS 779           HE2      LYS 779  -1.635 -34.630  -6.190
  235    HE3  LYS 779           HE3      LYS 779  -1.394 -36.347  -5.850
  236    HZ1  LYS 779           HZ1      LYS 779  -3.261 -36.226  -4.286
  237    HZ2  LYS 779           HZ2      LYS 779  -3.731 -35.768  -5.783
  238    HZ3  LYS 779           HZ3      LYS 779  -3.489 -34.644  -4.619
  239    H    GLU 780           H        GLU 780   3.599 -37.679  -4.053
  240    HA   GLU 780           HA       GLU 780   5.053 -39.423  -5.808
  241    HB2  GLU 780           HB2      GLU 780   3.784 -39.974  -3.087
  242    HB3  GLU 780           HB3      GLU 780   4.869 -41.085  -3.933
  243    HG2  GLU 780           HG2      GLU 780   6.662 -39.359  -3.914
  244    HG3  GLU 780           HG3      GLU 780   5.604 -38.268  -3.013
  245    H    THR 781           H        THR 781   1.619 -39.392  -4.827
  246    HA   THR 781           HA       THR 781   0.857 -41.830  -6.158
  247    HB   THR 781           HB       THR 781  -1.451 -40.737  -6.065
  248    HG1  THR 781           HG1      THR 781  -1.565 -38.898  -4.742
  249   HG21  THR 781          HG21      THR 781   0.134 -40.908  -3.455
  250   HG22  THR 781          HG22      THR 781  -0.609 -42.275  -4.304
  251   HG23  THR 781          HG23      THR 781  -1.632 -41.004  -3.629
  252    H    CYS 782           H        CYS 782   0.952 -38.407  -7.248
  253    HA   CYS 782           HA       CYS 782  -0.141 -38.882  -9.839
  254    HB2  CYS 782           HB2      CYS 782   1.684 -36.712  -8.729
  255    HB3  CYS 782           HB3      CYS 782   1.034 -36.702 -10.359
  256    H    VAL 783           H        VAL 783   3.242 -38.867  -8.678
  257    HA   VAL 783           HA       VAL 783   4.397 -39.497 -11.256
  258    HB   VAL 783           HB       VAL 783   5.511 -39.856  -8.451
  259   HG11  VAL 783          HG11      VAL 783   6.741 -41.387  -9.926
  260   HG12  VAL 783          HG12      VAL 783   6.948 -40.100 -11.133
  261   HG13  VAL 783          HG13      VAL 783   7.745 -39.983  -9.549
  262   HG21  VAL 783          HG21      VAL 783   6.809 -37.827  -9.014
  263   HG22  VAL 783          HG22      VAL 783   6.056 -37.760 -10.624
  264   HG23  VAL 783          HG23      VAL 783   5.079 -37.489  -9.165
  265    H    SER 784           H        SER 784   3.405 -41.609  -8.496
  266    HA   SER 784           HA       SER 784   4.314 -44.057  -9.699
  267    HB2  SER 784           HB2      SER 784   3.939 -43.690  -7.276
  268    HB3  SER 784           HB3      SER 784   2.201 -43.606  -7.559
  269    HG   SER 784           HG       SER 784   2.887 -45.702  -6.882
  270    H    GLU 785           H        GLU 785   1.012 -42.588  -9.635
  271    HA   GLU 785           HA       GLU 785  -0.082 -44.654 -11.398
  272    HB2  GLU 785           HB2      GLU 785  -1.190 -41.970 -10.477
  273    HB3  GLU 785           HB3      GLU 785  -2.093 -43.151 -11.411
  274    HG2  GLU 785           HG2      GLU 785  -0.984 -43.640  -8.611
  275    HG3  GLU 785           HG3      GLU 785  -2.637 -43.189  -8.988
  276    H    ASN 786           H        ASN 786   1.846 -41.939 -11.910
  277    HA   ASN 786           HA       ASN 786   2.780 -41.081 -13.707
  278    HB2  ASN 786           HB2      ASN 786   2.663 -43.661 -14.236
  279    HB3  ASN 786           HB3      ASN 786   1.578 -43.174 -15.534
  280   HD21  ASN 786          HD21      ASN 786   4.774 -42.562 -14.069
  281   HD22  ASN 786          HD22      ASN 786   5.584 -42.120 -15.567
  282    H    HIS 787           H        HIS 787   0.767 -39.644 -12.972
  283    HA   HIS 787           HA       HIS 787  -1.212 -38.887 -14.921
  284    HB2  HIS 787           HB2      HIS 787   0.132 -37.382 -12.642
  285    HB3  HIS 787           HB3      HIS 787  -1.123 -36.695 -13.654
  286    HD2  HIS 787           HD2      HIS 787  -1.975 -40.282 -13.054
  287    HE1  HIS 787           HE1      HIS 787  -4.086 -38.215 -10.008
  288    HE2  HIS 787           HE2      HIS 787  -3.818 -40.436 -11.234
  289    H    ASP 788           H        ASP 788  -1.245 -36.976 -16.203
  290    HA   ASP 788           HA       ASP 788   1.296 -36.501 -17.675
  291    HB2  ASP 788           HB2      ASP 788  -0.833 -36.977 -18.886
  292    HB3  ASP 788           HB3      ASP 788  -1.547 -35.541 -18.186
  293    H    PHE 789           H        PHE 789   2.413 -34.560 -17.579
  294    HA   PHE 789           HA       PHE 789   1.167 -32.243 -16.297
  295    HB2  PHE 789           HB2      PHE 789   3.749 -32.245 -15.163
  296    HB3  PHE 789           HB3      PHE 789   2.205 -32.313 -14.363
  297    HD1  PHE 789           HD2      PHE 789   5.091 -34.307 -15.577
  298    HD2  PHE 789           HD1      PHE 789   1.453 -34.320 -13.267
  299    HE1  PHE 789           HE2      PHE 789   5.793 -36.430 -14.488
  300    HE2  PHE 789           HE1      PHE 789   2.182 -36.404 -12.137
  301    HZ   PHE 789           HZ       PHE 789   4.347 -37.473 -12.748
  302    H    HIS 790           H        HIS 790   2.135 -30.284 -16.599
  303    HA   HIS 790           HA       HIS 790   4.305 -30.084 -18.673
  304    HB2  HIS 790           HB2      HIS 790   1.880 -28.319 -18.129
  305    HB3  HIS 790           HB3      HIS 790   3.309 -27.731 -18.960
  306    HD1  HIS 790           HD1      HIS 790   2.650 -27.547 -21.437
  307    HD2  HIS 790           HD2      HIS 790   1.353 -31.096 -19.586
  308    HE1  HIS 790           HE1      HIS 790   1.564 -28.945 -23.257
  309    H    TRP 791           H        TRP 791   6.176 -29.293 -17.836
  310    HA   TRP 791           HA       TRP 791   6.190 -27.829 -15.249
  311    HB2  TRP 791           HB2      TRP 791   8.377 -29.064 -16.951
  312    HB3  TRP 791           HB3      TRP 791   8.709 -28.016 -15.595
  313    HD1  TRP 791           HD1      TRP 791   7.503 -31.549 -16.325
  314    HE1  TRP 791           HE1      TRP 791   7.630 -32.945 -14.183
  315    HE3  TRP 791           HE3      TRP 791   8.499 -27.804 -12.974
  316    HZ2  TRP 791           HZ2      TRP 791   8.200 -32.510 -11.379
  317    HZ3  TRP 791           HZ3      TRP 791   8.818 -28.330 -10.565
  318    HH2  TRP 791           HH2      TRP 791   8.700 -30.681  -9.766
  319    H    HIS 792           H        HIS 792   6.989 -25.779 -15.018
  320    HA   HIS 792           HA       HIS 792   7.918 -24.085 -17.187
  321    HB2  HIS 792           HB2      HIS 792   5.969 -22.627 -17.313
  322    HB3  HIS 792           HB3      HIS 792   5.541 -24.237 -17.809
  323    HD1  HIS 792           HD1      HIS 792   4.412 -21.586 -15.460
  324    HD2  HIS 792           HD2      HIS 792   4.184 -25.773 -15.816
  325    HE1  HIS 792           HE1      HIS 792   2.426 -22.333 -14.026
  326    H    ASN 793           H        ASN 793   7.658 -21.629 -16.321
  327    HA   ASN 793           HA       ASN 793   8.694 -21.617 -13.524
  328    HB2  ASN 793           HB2      ASN 793   8.852 -19.551 -15.749
  329    HB3  ASN 793           HB3      ASN 793   9.436 -19.287 -14.111
  330   HD21  ASN 793          HD21      ASN 793  11.070 -20.944 -13.250
  331   HD22  ASN 793          HD22      ASN 793  12.243 -21.544 -14.407
  332    H    GLY 794           H        GLY 794   7.940 -20.216 -11.998
  333    HA2  GLY 794           HA2      GLY 794   5.459 -18.628 -12.331
  334    HA3  GLY 794           HA3      GLY 794   5.387 -20.020 -11.252
  335    H    VAL 795           H        VAL 795   4.877 -18.298  -9.673
  336    HA   VAL 795           HA       VAL 795   7.274 -17.472  -8.188
  337    HB   VAL 795           HB       VAL 795   7.014 -15.516  -9.517
  338   HG11  VAL 795          HG11      VAL 795   4.955 -14.186  -9.677
  339   HG12  VAL 795          HG12      VAL 795   4.715 -15.791 -10.361
  340   HG13  VAL 795          HG13      VAL 795   4.063 -15.408  -8.751
  341   HG21  VAL 795          HG21      VAL 795   7.366 -15.134  -7.056
  342   HG22  VAL 795          HG22      VAL 795   6.617 -13.773  -7.896
  343   HG23  VAL 795          HG23      VAL 795   5.636 -14.851  -6.884
  344    H    LYS 796           H        LYS 796   7.038 -17.648  -6.065
  345    HA   LYS 796           HA       LYS 796   4.409 -18.646  -5.109
  346    HB2  LYS 796           HB2      LYS 796   5.590 -19.928  -3.525
  347    HB3  LYS 796           HB3      LYS 796   6.363 -20.121  -5.093
  348    HG2  LYS 796           HG2      LYS 796   7.864 -18.041  -4.045
  349    HG3  LYS 796           HG3      LYS 796   7.432 -18.908  -2.572
  350    HD2  LYS 796           HD2      LYS 796   8.744 -20.086  -5.064
  351    HD3  LYS 796           HD3      LYS 796   9.602 -19.654  -3.595
  352    HE2  LYS 796           HE2      LYS 796   7.377 -21.745  -3.662
  353    HE3  LYS 796           HE3      LYS 796   9.085 -22.119  -3.900
  354    HZ1  LYS 796           HZ1      LYS 796   8.420 -22.436  -1.601
  355    HZ2  LYS 796           HZ2      LYS 796   7.971 -20.871  -1.457
  356    HZ3  LYS 796           HZ3      LYS 796   9.547 -21.258  -1.703
  357    H    ARG 797           H        ARG 797   3.480 -18.165  -3.246
  358    HA   ARG 797           HA       ARG 797   3.961 -15.460  -2.072
  359    HB2  ARG 797           HB2      ARG 797   1.353 -16.618  -3.169
  360    HB3  ARG 797           HB3      ARG 797   1.575 -15.023  -2.463
  361    HG2  ARG 797           HG2      ARG 797   3.216 -14.474  -4.266
  362    HG3  ARG 797           HG3      ARG 797   2.857 -16.030  -5.040
  363    HD2  ARG 797           HD2      ARG 797   0.665 -15.431  -5.590
  364    HD3  ARG 797           HD3      ARG 797   0.664 -14.043  -4.501
  365    HE   ARG 797           HE       ARG 797   2.375 -12.977  -5.919
  366   HH11  ARG 797          HH11      ARG 797   0.610 -15.582  -7.587
  367   HH12  ARG 797          HH12      ARG 797   0.894 -14.870  -9.134
  368   HH21  ARG 797          HH21      ARG 797   2.900 -12.296  -7.879
  369   HH22  ARG 797          HH22      ARG 797   2.177 -12.995  -9.316
  370    H    PHE 798           H        PHE 798   3.394 -15.252   0.042
  371    HA   PHE 798           HA       PHE 798   3.043 -17.817   1.483
  372    HB2  PHE 798           HB2      PHE 798   4.148 -15.184   2.516
  373    HB3  PHE 798           HB3      PHE 798   4.374 -16.791   3.190
  374    HD1  PHE 798           HD2      PHE 798   5.698 -18.520   1.758
  375    HD2  PHE 798           HD1      PHE 798   5.696 -14.288   0.943
  376    HE1  PHE 798           HE2      PHE 798   7.737 -18.780   0.370
  377    HE2  PHE 798           HE1      PHE 798   7.702 -14.554  -0.467
  378    HZ   PHE 798           HZ       PHE 798   8.724 -16.802  -0.767
  379    H    PHE 799           H        PHE 799   1.389 -18.210   2.835
  380    HA   PHE 799           HA       PHE 799  -0.454 -15.980   3.583
  381    HB2  PHE 799           HB2      PHE 799  -1.178 -18.783   2.678
  382    HB3  PHE 799           HB3      PHE 799  -2.321 -17.556   3.225
  383    HD1  PHE 799           HD1      PHE 799  -0.045 -18.554   0.466
  384    HD2  PHE 799           HD2      PHE 799  -2.956 -15.681   1.820
  385    HE1  PHE 799           HE1      PHE 799  -0.211 -17.635  -1.834
  386    HE2  PHE 799           HE2      PHE 799  -3.098 -14.750  -0.472
  387    HZ   PHE 799           HZ       PHE 799  -1.726 -15.729  -2.303
  388    H    LYS 800           H        LYS 800  -1.720 -16.211   5.398
  389    HA   LYS 800           HA       LYS 800  -1.034 -18.299   7.408
  390    HB2  LYS 800           HB2      LYS 800   0.307 -16.224   7.816
  391    HB3  LYS 800           HB3      LYS 800  -1.201 -15.289   7.908
  392    HG2  LYS 800           HG2      LYS 800  -1.909 -16.549   9.899
  393    HG3  LYS 800           HG3      LYS 800  -0.510 -17.603   9.772
  394    HD2  LYS 800           HD2      LYS 800   0.070 -16.104  11.456
  395    HD3  LYS 800           HD3      LYS 800   0.931 -15.473  10.045
  396    HE2  LYS 800           HE2      LYS 800  -0.974 -13.915   9.627
  397    HE3  LYS 800           HE3      LYS 800  -1.815 -14.589  11.030
  398    HZ1  LYS 800           HZ1      LYS 800  -0.008 -13.738  12.424
  399    HZ2  LYS 800           HZ2      LYS 800  -0.671 -12.507  11.586
  400    HZ3  LYS 800           HZ3      LYS 800   0.770 -13.117  11.126
  401    H    CYS 801           H        CYS 801  -2.641 -18.953   8.699
  402    HA   CYS 801           HA       CYS 801  -5.454 -18.086   8.190
  403    HB2  CYS 801           HB2      CYS 801  -4.789 -20.480   7.968
  404    HB3  CYS 801           HB3      CYS 801  -4.204 -20.458   9.640
  405    HA   PRO 802           HA       PRO 802  -5.457 -15.763  11.990
  406    HB2  PRO 802           HB2      PRO 802  -8.044 -16.262  12.990
  407    HB3  PRO 802           HB3      PRO 802  -7.573 -15.041  11.772
  408    HG2  PRO 802           HG2      PRO 802  -8.636 -17.831  11.309
  409    HG3  PRO 802           HG3      PRO 802  -9.126 -16.305  10.500
  410    HD2  PRO 802           HD2      PRO 802  -7.434 -17.950   9.272
  411    HD3  PRO 802           HD3      PRO 802  -7.068 -16.202   9.281
  412    H    CYS 803           H        CYS 803  -5.975 -19.263  12.288
  413    HA   CYS 803           HA       CYS 803  -5.660 -19.253  15.195
  414    HB2  CYS 803           HB2      CYS 803  -5.695 -21.628  15.009
  415    HB3  CYS 803           HB3      CYS 803  -6.973 -20.974  13.991
  416    H    GLY 804           H        GLY 804  -3.488 -18.775  12.650
  417    HA2  GLY 804           HA2      GLY 804  -1.199 -18.187  13.013
  418    HA3  GLY 804           HA3      GLY 804  -1.093 -19.382  14.329
  419    H    ASN 805           H        ASN 805  -2.721 -20.997  11.946
  420    HA   ASN 805           HA       ASN 805  -0.420 -22.520  11.105
  421    HB2  ASN 805           HB2      ASN 805  -2.728 -23.445  11.423
  422    HB3  ASN 805           HB3      ASN 805  -3.261 -22.553   9.998
  423   HD21  ASN 805          HD21      ASN 805  -3.875 -24.573   8.979
  424   HD22  ASN 805          HD22      ASN 805  -2.605 -25.592   8.284
  425    H    ARG 806           H        ARG 806   0.258 -22.868   8.848
  426    HA   ARG 806           HA       ARG 806   0.252 -20.364   7.198
  427    HB2  ARG 806           HB2      ARG 806   2.593 -22.140   7.997
  428    HB3  ARG 806           HB3      ARG 806   2.699 -20.833   6.829
  429    HG2  ARG 806           HG2      ARG 806   2.008 -20.531   9.790
  430    HG3  ARG 806           HG3      ARG 806   3.561 -20.180   9.044
  431    HD2  ARG 806           HD2      ARG 806   0.943 -18.727   8.517
  432    HD3  ARG 806           HD3      ARG 806   2.292 -18.119   9.464
  433    HE   ARG 806           HE       ARG 806   2.019 -18.216   6.547
  434   HH11  ARG 806          HH11      ARG 806   4.396 -17.859   9.159
  435   HH12  ARG 806          HH12      ARG 806   5.588 -17.158   8.105
  436   HH21  ARG 806          HH21      ARG 806   3.627 -17.386   5.242
  437   HH22  ARG 806          HH22      ARG 806   5.140 -16.859   5.918
  438    H    THR 807           H        THR 807   0.755 -20.584   5.001
  439    HA   THR 807           HA       THR 807   1.356 -23.106   3.752
  440    HB   THR 807           HB       THR 807  -1.140 -23.309   4.081
  441    HG1  THR 807           HG1      THR 807  -1.315 -24.105   1.921
  442   HG21  THR 807          HG21      THR 807  -2.627 -22.164   2.575
  443   HG22  THR 807          HG22      THR 807  -1.291 -21.312   1.775
  444   HG23  THR 807          HG23      THR 807  -1.717 -20.938   3.462
  445    H    ILE 808           H        ILE 808   1.225 -22.796   1.271
  446    HA   ILE 808           HA       ILE 808   2.153 -20.104   0.424
  447    HB   ILE 808           HB       ILE 808   3.817 -22.596  -0.113
  448   HG12  ILE 808          HG12      ILE 808   4.309 -20.423   1.978
  449   HG13  ILE 808          HG13      ILE 808   4.009 -22.140   2.285
  450   HG21  ILE 808          HG21      ILE 808   3.956 -20.700  -1.793
  451   HG22  ILE 808          HG22      ILE 808   4.534 -19.653  -0.488
  452   HG23  ILE 808          HG23      ILE 808   5.471 -21.065  -1.014
  453   HD11  ILE 808          HD11      ILE 808   6.500 -20.941   1.032
  454   HD12  ILE 808          HD12      ILE 808   6.331 -21.755   2.585
  455   HD13  ILE 808          HD13      ILE 808   6.144 -22.689   1.091
  456    H    SER 809           H        SER 809   1.708 -19.696  -1.745
  457    HA   SER 809           HA       SER 809   0.798 -21.878  -3.541
  458    HB2  SER 809           HB2      SER 809  -1.251 -21.178  -2.311
  459    HB3  SER 809           HB3      SER 809  -0.985 -19.505  -2.840
  460    HG   SER 809           HG       SER 809  -2.476 -20.669  -4.205
  461    H    LEU 810           H        LEU 810   0.383 -21.119  -5.691
  462    HA   LEU 810           HA       LEU 810   2.397 -19.134  -6.571
  463    HB2  LEU 810           HB2      LEU 810   0.816 -21.281  -8.073
  464    HB3  LEU 810           HB3      LEU 810   2.077 -20.270  -8.754
  465    HG   LEU 810           HG       LEU 810   2.974 -22.401  -8.412
  466   HD11  LEU 810          HD11      LEU 810   4.932 -21.956  -7.031
  467   HD12  LEU 810          HD12      LEU 810   4.079 -20.665  -6.172
  468   HD13  LEU 810          HD13      LEU 810   4.477 -20.487  -7.896
  469   HD21  LEU 810          HD21      LEU 810   2.467 -22.436  -5.440
  470   HD22  LEU 810          HD22      LEU 810   3.148 -23.696  -6.465
  471   HD23  LEU 810          HD23      LEU 810   1.439 -23.250  -6.638
  472    H    ASP 811           H        ASP 811  -0.897 -19.283  -5.952
  473    HA   ASP 811           HA       ASP 811  -1.641 -17.169  -7.930
  474    HB2  ASP 811           HB2      ASP 811  -2.829 -19.394  -8.002
  475    HB3  ASP 811           HB3      ASP 811  -3.440 -19.058  -6.381
  476    H    ARG 812           H        ARG 812  -3.466 -15.777  -7.025
  477    HA   ARG 812           HA       ARG 812  -2.526 -14.188  -4.866
  478    HB2  ARG 812           HB2      ARG 812  -4.566 -12.900  -5.218
  479    HB3  ARG 812           HB3      ARG 812  -3.811 -13.315  -6.753
  480    HG2  ARG 812           HG2      ARG 812  -5.449 -15.131  -7.109
  481    HG3  ARG 812           HG3      ARG 812  -6.191 -14.790  -5.545
  482    HD2  ARG 812           HD2      ARG 812  -6.775 -12.512  -6.319
  483    HD3  ARG 812           HD3      ARG 812  -6.007 -12.835  -7.880
  484    HE   ARG 812           HE       ARG 812  -8.631 -13.706  -6.973
  485   HH11  ARG 812          HH11      ARG 812  -6.060 -14.566  -9.249
  486   HH12  ARG 812          HH12      ARG 812  -7.173 -15.326 -10.353
  487   HH21  ARG 812          HH21      ARG 812  -9.982 -14.772  -8.402
  488   HH22  ARG 812          HH22      ARG 812  -9.342 -15.475  -9.855
  489    H    LEU 813           H        LEU 813  -4.260 -17.098  -4.627
  490    HA   LEU 813           HA       LEU 813  -4.499 -16.845  -1.753
  491    HB2  LEU 813           HB2      LEU 813  -6.662 -15.826  -2.833
  492    HB3  LEU 813           HB3      LEU 813  -7.020 -17.472  -3.337
  493    HG   LEU 813           HG       LEU 813  -7.005 -18.133  -0.880
  494   HD11  LEU 813          HD11      LEU 813  -5.646 -16.184  -0.011
  495   HD12  LEU 813          HD12      LEU 813  -7.209 -16.327   0.799
  496   HD13  LEU 813          HD13      LEU 813  -6.965 -15.097  -0.458
  497   HD21  LEU 813          HD21      LEU 813  -8.966 -15.979  -1.754
  498   HD22  LEU 813          HD22      LEU 813  -9.214 -17.125  -0.420
  499   HD23  LEU 813          HD23      LEU 813  -9.093 -17.718  -2.083
  500    HA   PRO 814           HA       PRO 814  -3.702 -21.259  -2.483
  501    HB2  PRO 814           HB2      PRO 814  -4.018 -22.293   0.016
  502    HB3  PRO 814           HB3      PRO 814  -2.631 -21.245  -0.408
  503    HG2  PRO 814           HG2      PRO 814  -5.246 -20.432   0.887
  504    HG3  PRO 814           HG3      PRO 814  -3.583 -20.060   1.457
  505    HD2  PRO 814           HD2      PRO 814  -4.982 -18.279   0.024
  506    HD3  PRO 814           HD3      PRO 814  -3.241 -18.513  -0.296
  507    H    LYS 815           H        LYS 815  -4.846 -23.261  -2.587
  508    HA   LYS 815           HA       LYS 815  -7.721 -22.870  -2.959
  509    HB2  LYS 815           HB2      LYS 815  -7.622 -24.614  -4.462
  510    HB3  LYS 815           HB3      LYS 815  -6.063 -23.852  -4.659
  511    HG2  LYS 815           HG2      LYS 815  -6.673 -26.454  -3.154
  512    HG3  LYS 815           HG3      LYS 815  -5.942 -26.310  -4.733
  513    HD2  LYS 815           HD2      LYS 815  -3.907 -25.284  -3.781
  514    HD3  LYS 815           HD3      LYS 815  -4.641 -25.303  -2.175
  515    HE2  LYS 815           HE2      LYS 815  -3.262 -27.183  -2.170
  516    HE3  LYS 815           HE3      LYS 815  -4.895 -27.824  -2.378
  517    HZ1  LYS 815           HZ1      LYS 815  -3.394 -28.884  -3.905
  518    HZ2  LYS 815           HZ2      LYS 815  -2.838 -27.454  -4.463
  519    HZ3  LYS 815           HZ3      LYS 815  -4.381 -27.920  -4.808
  520    H    LYS 816           H        LYS 816  -5.890 -24.195  -0.454
  521    HA   LYS 816           HA       LYS 816  -7.734 -26.453   0.100
  522    HB2  LYS 816           HB2      LYS 816  -5.857 -27.375   1.392
  523    HB3  LYS 816           HB3      LYS 816  -5.470 -27.023  -0.277
  524    HG2  LYS 816           HG2      LYS 816  -3.557 -26.292   0.684
  525    HG3  LYS 816           HG3      LYS 816  -4.434 -24.781   0.639
  526    HD2  LYS 816           HD2      LYS 816  -3.370 -24.891   2.755
  527    HD3  LYS 816           HD3      LYS 816  -5.076 -25.120   3.047
  528    HE2  LYS 816           HE2      LYS 816  -3.896 -26.659   4.438
  529    HE3  LYS 816           HE3      LYS 816  -4.714 -27.605   3.197
  530    HZ1  LYS 816           HZ1      LYS 816  -2.417 -28.323   3.550
  531    HZ2  LYS 816           HZ2      LYS 816  -1.840 -26.859   3.131
  532    HZ3  LYS 816           HZ3      LYS 816  -2.601 -27.795   2.025
  533    H    HIS 817           H        HIS 817  -8.466 -27.016   2.142
  534    HA   HIS 817           HA       HIS 817  -9.119 -24.798   3.990
  535    HB2  HIS 817           HB2      HIS 817  -9.746 -27.780   3.997
  536    HB3  HIS 817           HB3      HIS 817 -10.242 -26.662   5.254
  537    HD1  HIS 817           HD1      HIS 817 -11.094 -27.446   1.576
  538    HD2  HIS 817           HD2      HIS 817 -12.327 -25.095   4.845
  539    HE1  HIS 817           HE1      HIS 817 -13.333 -26.440   0.925
  540    H    CYS 818           H        CYS 818  -8.571 -24.813   6.228
  541    HA   CYS 818           HA       CYS 818  -5.829 -25.188   6.772
  542    HB2  CYS 818           HB2      CYS 818  -7.319 -23.503   7.730
  543    HB3  CYS 818           HB3      CYS 818  -8.198 -24.750   8.625
  544    H    SER 819           H        SER 819  -4.692 -26.647   7.917
  545    HA   SER 819           HA       SER 819  -5.772 -29.365   8.364
  546    HB2  SER 819           HB2      SER 819  -3.515 -28.815   7.322
  547    HB3  SER 819           HB3      SER 819  -2.980 -28.319   8.936
  548    HG   SER 819           HG       SER 819  -2.456 -30.521   8.451
  549    H    THR 820           H        THR 820  -5.227 -26.497  10.237
  550    HA   THR 820           HA       THR 820  -4.912 -27.940  12.807
  551    HB   THR 820           HB       THR 820  -4.661 -25.000  12.071
  552    HG1  THR 820           HG1      THR 820  -2.738 -27.034  12.628
  553   HG21  THR 820          HG21      THR 820  -3.426 -24.808  14.226
  554   HG22  THR 820          HG22      THR 820  -3.942 -26.455  14.657
  555   HG23  THR 820          HG23      THR 820  -5.143 -25.158  14.453
  556    H    CYS 821           H        CYS 821  -7.229 -25.688  11.248
  557    HA   CYS 821           HA       CYS 821  -9.154 -26.360  13.431
  558    HB2  CYS 821           HB2      CYS 821  -9.927 -24.134  13.523
  559    HB3  CYS 821           HB3      CYS 821  -8.182 -24.125  13.794
  560    H    GLY 822           H        GLY 822  -8.749 -26.244  10.031
  561    HA2  GLY 822           HA2      GLY 822 -10.028 -27.627   8.661
  562    HA3  GLY 822           HA3      GLY 822 -11.373 -27.560   9.807
  563    H    LEU 823           H        LEU 823 -10.840 -24.398   9.452
  564    HA   LEU 823           HA       LEU 823 -12.888 -24.120   7.337
  565    HB2  LEU 823           HB2      LEU 823 -13.157 -21.848   8.205
  566    HB3  LEU 823           HB3      LEU 823 -13.388 -23.106   9.390
  567    HG   LEU 823           HG       LEU 823 -11.335 -22.602  10.516
  568   HD11  LEU 823          HD11      LEU 823 -10.793 -20.546   8.327
  569   HD12  LEU 823          HD12      LEU 823  -9.800 -21.966   8.726
  570   HD13  LEU 823          HD13      LEU 823  -9.923 -20.626   9.869
  571   HD21  LEU 823          HD21      LEU 823 -11.869 -20.321  11.287
  572   HD22  LEU 823          HD22      LEU 823 -13.346 -21.271  11.053
  573   HD23  LEU 823          HD23      LEU 823 -12.879 -20.062   9.845
  574    H    PHE 824           H        PHE 824 -12.491 -21.605   6.391
  575    HA   PHE 824           HA       PHE 824  -9.904 -21.605   4.903
  576    HB2  PHE 824           HB2      PHE 824 -11.680 -22.829   3.626
  577    HB3  PHE 824           HB3      PHE 824 -12.687 -21.392   3.657
  578    HD1  PHE 824           HD2      PHE 824  -9.554 -22.894   2.377
  579    HD2  PHE 824           HD1      PHE 824 -12.224 -19.523   2.123
  580    HE1  PHE 824           HE2      PHE 824  -8.405 -22.139   0.304
  581    HE2  PHE 824           HE1      PHE 824 -11.071 -18.763   0.057
  582    HZ   PHE 824           HZ       PHE 824  -9.162 -20.073  -0.855
  583    H    LYS 825           H        LYS 825  -9.169 -19.845   6.018
  584    HA   LYS 825           HA       LYS 825 -10.430 -17.190   5.519
  585    HB2  LYS 825           HB2      LYS 825  -9.681 -18.327   8.253
  586    HB3  LYS 825           HB3      LYS 825  -9.994 -16.621   7.960
  587    HG2  LYS 825           HG2      LYS 825 -12.075 -18.806   7.583
  588    HG3  LYS 825           HG3      LYS 825 -11.894 -17.769   9.000
  589    HD2  LYS 825           HD2      LYS 825 -12.325 -15.763   7.589
  590    HD3  LYS 825           HD3      LYS 825 -12.512 -16.793   6.169
  591    HE2  LYS 825           HE2      LYS 825 -14.694 -16.269   6.912
  592    HE3  LYS 825           HE3      LYS 825 -14.420 -17.976   7.276
  593    HZ1  LYS 825           HZ1      LYS 825 -14.226 -15.756   9.242
  594    HZ2  LYS 825           HZ2      LYS 825 -14.020 -17.342   9.603
  595    HZ3  LYS 825           HZ3      LYS 825 -15.476 -16.779   9.123
  596    H    TRP 826           H        TRP 826  -8.101 -18.467   4.333
  597    HA   TRP 826           HA       TRP 826  -5.651 -17.627   5.439
  598    HB2  TRP 826           HB2      TRP 826  -6.436 -18.072   2.544
  599    HB3  TRP 826           HB3      TRP 826  -4.788 -17.919   3.129
  600    HD1  TRP 826           HD1      TRP 826  -7.380 -20.449   2.500
  601    HE1  TRP 826           HE1      TRP 826  -6.628 -22.754   3.307
  602    HE3  TRP 826           HE3      TRP 826  -3.375 -19.027   5.323
  603    HZ2  TRP 826           HZ2      TRP 826  -4.656 -23.830   5.162
  604    HZ3  TRP 826           HZ3      TRP 826  -2.073 -20.704   6.612
  605    HH2  TRP 826           HH2      TRP 826  -2.716 -23.109   6.547
  606    H    GLU 827           H        GLU 827  -4.372 -15.892   5.297
  607    HA   GLU 827           HA       GLU 827  -5.210 -13.446   3.788
  608    HB2  GLU 827           HB2      GLU 827  -5.707 -13.254   6.172
  609    HB3  GLU 827           HB3      GLU 827  -4.074 -13.744   6.610
  610    HG2  GLU 827           HG2      GLU 827  -3.107 -11.728   5.740
  611    HG3  GLU 827           HG3      GLU 827  -4.602 -11.286   4.914
  612    H    ARG 828           H        ARG 828  -3.611 -12.480   2.618
  613    HA   ARG 828           HA       ARG 828  -1.115 -13.808   2.142
  614    HB2  ARG 828           HB2      ARG 828  -2.282 -12.441   0.453
  615    HB3  ARG 828           HB3      ARG 828  -2.070 -11.000   1.441
  616    HG2  ARG 828           HG2      ARG 828  -0.436 -10.908  -0.295
  617    HG3  ARG 828           HG3      ARG 828   0.424 -11.237   1.201
  618    HD2  ARG 828           HD2      ARG 828   0.379 -13.710   0.536
  619    HD3  ARG 828           HD3      ARG 828  -0.245 -13.205  -1.024
  620    HE   ARG 828           HE       ARG 828   2.464 -12.722   0.108
  621   HH11  ARG 828          HH11      ARG 828   0.328 -12.012  -2.676
  622   HH12  ARG 828          HH12      ARG 828   1.729 -11.743  -3.703
  623   HH21  ARG 828          HH21      ARG 828   4.148 -12.274  -1.386
  624   HH22  ARG 828          HH22      ARG 828   3.677 -11.883  -3.031
  625    H    VAL 829           H        VAL 829   0.800 -13.596   3.107
  626    HA   VAL 829           HA       VAL 829   1.381 -11.258   4.886
  627    HB   VAL 829           HB       VAL 829   2.641 -12.716   6.415
  628   HG11  VAL 829          HG11      VAL 829   0.742 -13.603   7.659
  629   HG12  VAL 829          HG12      VAL 829   0.330 -12.027   6.956
  630   HG13  VAL 829          HG13      VAL 829  -0.289 -13.513   6.222
  631   HG21  VAL 829          HG21      VAL 829   1.317 -15.068   5.017
  632   HG22  VAL 829          HG22      VAL 829   3.053 -14.657   4.925
  633   HG23  VAL 829          HG23      VAL 829   2.329 -15.133   6.470
  634    H    GLY 830           H        GLY 830   3.872 -11.344   5.412
  635    HA2  GLY 830           HA2      GLY 830   5.128 -10.876   2.830
  636    HA3  GLY 830           HA3      GLY 830   5.791 -10.489   4.425
  637    H    MET 831           H        MET 831   7.588 -11.177   2.866
  638    HA   MET 831           HA       MET 831   8.076 -14.035   2.508
  639    HB2  MET 831           HB2      MET 831   8.704 -12.224   0.915
  640    HB3  MET 831           HB3      MET 831   9.893 -11.632   2.067
  641    HG2  MET 831           HG2      MET 831   9.871 -14.484   0.990
  642    HG3  MET 831           HG3      MET 831  10.612 -13.172   0.100
  643    HE1  MET 831           HE1      MET 831  12.786 -11.948   0.677
  644    HE2  MET 831           HE2      MET 831  12.110 -11.393   2.229
  645    HE3  MET 831           HE3      MET 831  13.707 -12.164   2.178
  646    H    LEU 832           H        LEU 832   9.741 -15.242   3.494
  647    HA   LEU 832           HA       LEU 832   9.733 -14.912   6.350
  648    HB2  LEU 832           HB2      LEU 832  11.034 -16.943   4.488
  649    HB3  LEU 832           HB3      LEU 832  11.107 -17.059   6.229
  650    HG   LEU 832           HG       LEU 832   9.465 -18.560   5.362
  651   HD11  LEU 832          HD11      LEU 832   7.557 -18.022   6.743
  652   HD12  LEU 832          HD12      LEU 832   7.999 -16.298   6.774
  653   HD13  LEU 832          HD13      LEU 832   9.039 -17.506   7.565
  654   HD21  LEU 832          HD21      LEU 832   7.483 -18.007   4.166
  655   HD22  LEU 832          HD22      LEU 832   8.839 -17.306   3.278
  656   HD23  LEU 832          HD23      LEU 832   7.781 -16.272   4.276
  657    H    LYS 833           H        LYS 833  10.920 -13.332   7.236
  658    HA   LYS 833           HA       LYS 833  13.649 -12.749   6.400
  659    HB2  LYS 833           HB2      LYS 833  13.461 -10.930   8.026
  660    HB3  LYS 833           HB3      LYS 833  12.040 -10.996   6.992
  661    HG2  LYS 833           HG2      LYS 833  10.811 -12.229   8.874
  662    HG3  LYS 833           HG3      LYS 833  12.256 -12.049   9.864
  663    HD2  LYS 833           HD2      LYS 833  10.720 -10.356  10.506
  664    HD3  LYS 833           HD3      LYS 833  12.056  -9.569   9.652
  665    HE2  LYS 833           HE2      LYS 833  10.674  -9.450   7.587
  666    HE3  LYS 833           HE3      LYS 833   9.369 -10.318   8.397
  667    HZ1  LYS 833           HZ1      LYS 833   8.963  -7.948   8.448
  668    HZ2  LYS 833           HZ2      LYS 833  10.392  -7.641   9.184
  669    HZ3  LYS 833           HZ3      LYS 833   9.211  -8.453   9.968
  670    H    GLU 834           H        GLU 834  12.515 -15.150   8.200
  671    HA   GLU 834           HA       GLU 834  15.026 -15.662   9.637
  672    HB2  GLU 834           HB2      GLU 834  13.587 -14.327  11.205
  673    HB3  GLU 834           HB3      GLU 834  12.344 -15.587  11.110
  674    HG2  GLU 834           HG2      GLU 834  13.942 -17.236  12.050
  675    HG3  GLU 834           HG3      GLU 834  15.219 -16.003  12.037
  676    H    LYS 835           H        LYS 835  15.018 -17.117   7.753
  677    HA   LYS 835           HA       LYS 835  13.098 -19.220   7.458
  678    HB2  LYS 835           HB2      LYS 835  15.947 -18.878   6.413
  679    HB3  LYS 835           HB3      LYS 835  14.802 -20.099   5.853
  680    HG2  LYS 835           HG2      LYS 835  13.263 -18.346   5.034
  681    HG3  LYS 835           HG3      LYS 835  14.322 -17.074   5.675
  682    HD2  LYS 835           HD2      LYS 835  16.123 -17.769   4.162
  683    HD3  LYS 835           HD3      LYS 835  15.159 -19.126   3.605
  684    HE2  LYS 835           HE2      LYS 835  15.061 -17.402   1.917
  685    HE3  LYS 835           HE3      LYS 835  13.465 -17.523   2.686
  686    HZ1  LYS 835           HZ1      LYS 835  15.514 -15.479   3.368
  687    HZ2  LYS 835           HZ2      LYS 835  13.990 -15.553   3.987
  688    HZ3  LYS 835           HZ3      LYS 835  14.219 -15.221   2.405
  689    H    THR 836           H        THR 836  13.180 -21.393   7.905
  690    HA   THR 836           HA       THR 836  14.813 -22.316  10.183
  691    HB   THR 836           HB       THR 836  13.432 -24.393   9.914
  692    HG1  THR 836           HG1      THR 836  11.669 -24.282   8.491
  693   HG21  THR 836          HG21      THR 836  11.343 -23.392  10.743
  694   HG22  THR 836          HG22      THR 836  11.820 -21.797  10.122
  695   HG23  THR 836          HG23      THR 836  12.735 -22.559  11.445
  696    H    GLY 837           H        GLY 837  15.988 -24.300  10.139
  697    HA2  GLY 837           HA2      GLY 837  17.326 -24.921   7.525
  698    HA3  GLY 837           HA3      GLY 837  18.080 -25.073   9.119
  699    HA   PRO 838           HA       PRO 838  15.965 -29.171   7.950
  700    HB2  PRO 838           HB2      PRO 838  17.877 -30.557   6.605
  701    HB3  PRO 838           HB3      PRO 838  16.788 -29.406   5.773
  702    HG2  PRO 838           HG2      PRO 838  19.610 -28.901   6.780
  703    HG3  PRO 838           HG3      PRO 838  18.942 -28.538   5.166
  704    HD2  PRO 838           HD2      PRO 838  19.081 -26.647   7.150
  705    HD3  PRO 838           HD3      PRO 838  17.747 -26.679   5.982
  706    H    LYS 839           H        LYS 839  16.472 -31.187   8.994
  707    HA   LYS 839           HA       LYS 839  18.109 -30.871  11.406
  708    HB2  LYS 839           HB2      LYS 839  16.176 -32.958  10.352
  709    HB3  LYS 839           HB3      LYS 839  17.205 -33.295  11.738
  710    HG2  LYS 839           HG2      LYS 839  15.063 -32.583  12.522
  711    HG3  LYS 839           HG3      LYS 839  16.287 -31.395  12.977
  712    HD2  LYS 839           HD2      LYS 839  15.520 -29.865  11.206
  713    HD3  LYS 839           HD3      LYS 839  14.374 -31.092  10.616
  714    HE2  LYS 839           HE2      LYS 839  13.198 -31.022  12.798
  715    HE3  LYS 839           HE3      LYS 839  14.363 -29.843  13.406
  716    HZ1  LYS 839           HZ1      LYS 839  12.358 -28.748  12.621
  717    HZ2  LYS 839           HZ2      LYS 839  12.520 -29.388  11.132
  718    HZ3  LYS 839           HZ3      LYS 839  13.609 -28.300  11.674
  719    H    LEU 840           H        LEU 840  18.825 -32.033   8.301
  720    HA   LEU 840           HA       LEU 840  21.425 -33.072   9.085
  721    HB2  LEU 840           HB2      LEU 840  19.893 -35.031   9.437
  722    HB3  LEU 840           HB3      LEU 840  19.353 -34.894   7.776
  723    HG   LEU 840           HG       LEU 840  21.662 -35.493   6.998
  724   HD11  LEU 840          HD11      LEU 840  23.004 -34.682   8.918
  725   HD12  LEU 840          HD12      LEU 840  23.290 -36.402   8.638
  726   HD13  LEU 840          HD13      LEU 840  22.236 -35.897   9.972
  727   HD21  LEU 840          HD21      LEU 840  20.427 -37.440   8.985
  728   HD22  LEU 840          HD22      LEU 840  21.548 -37.857   7.670
  729   HD23  LEU 840          HD23      LEU 840  19.936 -37.223   7.290
  730    H    GLY 841           H        GLY 841  22.873 -33.169   7.313
  731    HA2  GLY 841           HA2      GLY 841  22.208 -31.518   4.972
  732    HA3  GLY 841           HA3      GLY 841  23.791 -32.173   5.424
  733    H    GLY 842           H        GLY 842  23.797 -32.425   3.046
  734    HA2  GLY 842           HA2      GLY 842  23.504 -35.196   2.284
  735    HA3  GLY 842           HA3      GLY 842  22.290 -34.180   1.482
  Start of MODEL    5
    1    H1   GLY  -4           H1       GLY  -4   2.505  -2.078   2.373
    2    H2   GLY  -4           H2       GLY  -4   2.926  -2.237   0.794
    3    H3   GLY  -4           H3       GLY  -4   2.609  -0.756   1.416
    4    HA2  GLY  -4           HA2      GLY  -4   4.518  -0.881   2.867
    5    HA3  GLY  -4           HA3      GLY  -4   4.862  -2.485   2.216
    6    HA   PRO  -3           HA       PRO  -3   6.592   1.099  -0.493
    7    HB2  PRO  -3           HB2      PRO  -3   9.079   1.613   0.525
    8    HB3  PRO  -3           HB3      PRO  -3   7.596   2.415   1.136
    9    HG2  PRO  -3           HG2      PRO  -3   9.000  -0.013   2.290
   10    HG3  PRO  -3           HG3      PRO  -3   8.443   1.464   3.145
   11    HD2  PRO  -3           HD2      PRO  -3   6.972  -0.833   3.100
   12    HD3  PRO  -3           HD3      PRO  -3   6.181   0.769   3.021
   13    H    MET  -2           H        MET  -2   7.950   0.766  -2.237
   14    HA   MET  -2           HA       MET  -2   9.160  -1.955  -2.493
   15    HB2  MET  -2           HB2      MET  -2   7.230  -0.935  -4.013
   16    HB3  MET  -2           HB3      MET  -2   8.540  -0.040  -4.757
   17    HG2  MET  -2           HG2      MET  -2   8.648  -1.834  -6.129
   18    HG3  MET  -2           HG3      MET  -2   9.609  -2.560  -4.858
   19    HE1  MET  -2           HE1      MET  -2   7.224  -3.217  -2.635
   20    HE2  MET  -2           HE2      MET  -2   6.957  -4.905  -3.082
   21    HE3  MET  -2           HE3      MET  -2   8.604  -4.264  -3.034
   22    H    GLY  -1           H        GLY  -1  10.171   1.284  -2.111
   23    HA2  GLY  -1           HA2      GLY  -1  12.325   1.476  -3.958
   24    HA3  GLY  -1           HA3      GLY  -1  12.117   2.457  -2.496
   25    H    MET 755           H        MET 755  12.231  -0.243  -0.966
   26    HA   MET 755           HA       MET 755  15.079  -0.458  -0.478
   27    HB2  MET 755           HB2      MET 755  12.738  -2.239   0.365
   28    HB3  MET 755           HB3      MET 755  14.383  -2.325   0.988
   29    HG2  MET 755           HG2      MET 755  13.218  -1.137   2.613
   30    HG3  MET 755           HG3      MET 755  14.156   0.075   1.757
   31    HE1  MET 755           HE1      MET 755  12.817   2.013   2.854
   32    HE2  MET 755           HE2      MET 755  11.050   2.116   2.892
   33    HE3  MET 755           HE3      MET 755  11.879   0.822   3.781
   34    H    GLN 756           H        GLN 756  13.133  -1.758  -2.917
   35    HA   GLN 756           HA       GLN 756  13.652  -2.858  -4.807
   36    HB2  GLN 756           HB2      GLN 756  16.289  -3.759  -3.582
   37    HB3  GLN 756           HB3      GLN 756  15.789  -3.911  -5.251
   38    HG2  GLN 756           HG2      GLN 756  15.717  -1.464  -5.516
   39    HG3  GLN 756           HG3      GLN 756  16.207  -1.240  -3.833
   40   HE21  GLN 756          HE21      GLN 756  18.371  -2.346  -3.199
   41   HE22  GLN 756          HE22      GLN 756  19.632  -2.301  -4.419
   42    H    SER 757           H        SER 757  13.872  -4.569  -1.733
   43    HA   SER 757           HA       SER 757  13.425  -7.204  -2.808
   44    HB2  SER 757           HB2      SER 757  12.809  -6.106  -0.039
   45    HB3  SER 757           HB3      SER 757  12.915  -7.820  -0.492
   46    HG   SER 757           HG       SER 757  14.869  -7.045   0.474
   47    H    ILE 758           H        ILE 758  11.556  -8.450  -2.943
   48    HA   ILE 758           HA       ILE 758   8.901  -7.159  -2.485
   49    HB   ILE 758           HB       ILE 758   9.472  -9.061  -4.792
   50   HG12  ILE 758          HG12      ILE 758   8.858  -6.786  -6.115
   51   HG13  ILE 758          HG13      ILE 758   9.680  -6.046  -4.743
   52   HG21  ILE 758          HG21      ILE 758   7.098  -7.247  -4.151
   53   HG22  ILE 758          HG22      ILE 758   7.253  -8.296  -5.574
   54   HG23  ILE 758          HG23      ILE 758   7.143  -9.024  -3.985
   55   HD11  ILE 758          HD11      ILE 758  10.794  -8.149  -6.667
   56   HD12  ILE 758          HD12      ILE 758  11.235  -6.424  -6.608
   57   HD13  ILE 758          HD13      ILE 758  11.695  -7.507  -5.286
   58    H    ARG 759           H        ARG 759   7.375  -8.535  -1.559
   59    HA   ARG 759           HA       ARG 759   8.463 -10.733  -0.052
   60    HB2  ARG 759           HB2      ARG 759   6.455 -10.728   1.163
   61    HB3  ARG 759           HB3      ARG 759   6.994  -9.068   0.923
   62    HG2  ARG 759           HG2      ARG 759   5.307  -8.810  -0.930
   63    HG3  ARG 759           HG3      ARG 759   4.718 -10.453  -0.580
   64    HD2  ARG 759           HD2      ARG 759   4.172  -9.794   1.697
   65    HD3  ARG 759           HD3      ARG 759   4.727  -8.135   1.370
   66    HE   ARG 759           HE       ARG 759   2.883  -8.561  -0.606
   67   HH11  ARG 759          HH11      ARG 759   2.637  -8.833   2.918
   68   HH12  ARG 759          HH12      ARG 759   0.932  -8.488   2.916
   69   HH21  ARG 759          HH21      ARG 759   0.701  -8.096  -0.536
   70   HH22  ARG 759          HH22      ARG 759  -0.135  -8.066   0.995
   71    H    GLU 760           H        GLU 760   8.351 -11.329  -2.813
   72    HA   GLU 760           HA       GLU 760   7.347 -14.024  -2.793
   73    HB2  GLU 760           HB2      GLU 760   5.990 -13.764  -4.901
   74    HB3  GLU 760           HB3      GLU 760   5.273 -13.243  -3.391
   75    HG2  GLU 760           HG2      GLU 760   5.734 -10.868  -3.990
   76    HG3  GLU 760           HG3      GLU 760   6.455 -11.411  -5.514
   77    H    GLN 761           H        GLN 761   8.084 -15.250  -4.653
   78    HA   GLN 761           HA       GLN 761  10.440 -14.058  -6.020
   79    HB2  GLN 761           HB2      GLN 761  11.946 -15.677  -5.014
   80    HB3  GLN 761           HB3      GLN 761  11.162 -14.727  -3.752
   81    HG2  GLN 761           HG2      GLN 761   9.527 -16.620  -3.411
   82    HG3  GLN 761           HG3      GLN 761  10.478 -17.577  -4.561
   83   HE21  GLN 761          HE21      GLN 761  10.542 -16.021  -1.332
   84   HE22  GLN 761          HE22      GLN 761  11.883 -16.994  -0.748
   85    H    SER 762           H        SER 762  11.216 -15.191  -7.789
   86    HA   SER 762           HA       SER 762   9.325 -16.836  -9.181
   87    HB2  SER 762           HB2      SER 762  12.215 -16.260  -9.895
   88    HB3  SER 762           HB3      SER 762  10.940 -16.828 -10.980
   89    HG   SER 762           HG       SER 762  11.296 -14.541 -11.165
   90    H    CYS 763           H        CYS 763   9.488 -18.950  -9.926
   91    HA   CYS 763           HA       CYS 763  11.670 -20.732  -9.084
   92    HB2  CYS 763           HB2      CYS 763  10.154 -22.215  -7.794
   93    HB3  CYS 763           HB3      CYS 763  10.279 -20.616  -7.060
   94    HG   CYS 763           HG       CYS 763   7.798 -21.554  -6.857
   95    H    ARG 764           H        ARG 764  11.199 -23.038  -9.777
   96    HA   ARG 764           HA       ARG 764   9.803 -23.151 -12.393
   97    HB2  ARG 764           HB2      ARG 764  12.103 -24.261 -11.932
   98    HB3  ARG 764           HB3      ARG 764  11.183 -25.488 -11.053
   99    HG2  ARG 764           HG2      ARG 764   9.792 -25.840 -13.150
  100    HG3  ARG 764           HG3      ARG 764  10.794 -24.624 -13.960
  101    HD2  ARG 764           HD2      ARG 764  11.614 -26.704 -14.656
  102    HD3  ARG 764           HD3      ARG 764  12.799 -26.091 -13.484
  103    HE   ARG 764           HE       ARG 764  10.828 -27.766 -12.198
  104   HH11  ARG 764          HH11      ARG 764  13.745 -28.041 -14.185
  105   HH12  ARG 764          HH12      ARG 764  14.021 -29.692 -13.703
  106   HH21  ARG 764          HH21      ARG 764  11.181 -29.910 -11.698
  107   HH22  ARG 764          HH22      ARG 764  12.593 -30.725 -12.305
  108    H    VAL 765           H        VAL 765   7.981 -24.349 -12.713
  109    HA   VAL 765           HA       VAL 765   6.466 -25.446 -10.397
  110    HB   VAL 765           HB       VAL 765   4.475 -24.170 -11.014
  111   HG11  VAL 765          HG11      VAL 765   5.147 -21.938 -10.242
  112   HG12  VAL 765          HG12      VAL 765   5.957 -23.201  -9.290
  113   HG13  VAL 765          HG13      VAL 765   6.843 -22.300 -10.551
  114   HG21  VAL 765          HG21      VAL 765   4.943 -23.815 -13.410
  115   HG22  VAL 765          HG22      VAL 765   4.522 -22.297 -12.594
  116   HG23  VAL 765          HG23      VAL 765   6.215 -22.661 -12.986
  117    H    VAL 766           H        VAL 766   4.404 -26.472 -11.111
  118    HA   VAL 766           HA       VAL 766   4.611 -27.763 -13.788
  119    HB   VAL 766           HB       VAL 766   5.917 -29.173 -12.418
  120   HG11  VAL 766          HG11      VAL 766   5.188 -28.531 -10.159
  121   HG12  VAL 766          HG12      VAL 766   3.649 -29.385 -10.391
  122   HG13  VAL 766          HG13      VAL 766   5.176 -30.278 -10.395
  123   HG21  VAL 766          HG21      VAL 766   4.344 -30.304 -13.967
  124   HG22  VAL 766          HG22      VAL 766   4.803 -31.311 -12.576
  125   HG23  VAL 766          HG23      VAL 766   3.211 -30.542 -12.609
  126    H    THR 767           H        THR 767   2.763 -28.036 -14.742
  127    HA   THR 767           HA       THR 767   0.198 -27.934 -13.214
  128    HB   THR 767           HB       THR 767   0.744 -27.646 -16.182
  129    HG1  THR 767           HG1      THR 767   1.190 -25.759 -15.120
  130   HG21  THR 767          HG21      THR 767  -1.887 -27.549 -14.618
  131   HG22  THR 767          HG22      THR 767  -1.457 -28.744 -15.854
  132   HG23  THR 767          HG23      THR 767  -1.684 -27.052 -16.314
  133    H    CYS 768           H        CYS 768  -0.573 -29.842 -12.621
  134    HA   CYS 768           HA       CYS 768   0.143 -32.340 -14.003
  135    HB2  CYS 768           HB2      CYS 768  -0.206 -32.246 -11.513
  136    HB3  CYS 768           HB3      CYS 768  -1.916 -31.851 -11.808
  137    H    LYS 769           H        LYS 769  -0.818 -32.900 -15.823
  138    HA   LYS 769           HA       LYS 769  -3.134 -31.503 -16.931
  139    HB2  LYS 769           HB2      LYS 769  -1.630 -33.974 -17.923
  140    HB3  LYS 769           HB3      LYS 769  -2.737 -32.997 -18.874
  141    HG2  LYS 769           HG2      LYS 769  -0.078 -32.017 -17.724
  142    HG3  LYS 769           HG3      LYS 769  -0.324 -32.576 -19.372
  143    HD2  LYS 769           HD2      LYS 769  -1.682 -30.154 -18.091
  144    HD3  LYS 769           HD3      LYS 769  -0.285 -30.078 -19.122
  145    HE2  LYS 769           HE2      LYS 769  -3.045 -31.060 -19.960
  146    HE3  LYS 769           HE3      LYS 769  -2.327 -29.493 -20.337
  147    HZ1  LYS 769           HZ1      LYS 769  -2.031 -30.925 -22.205
  148    HZ2  LYS 769           HZ2      LYS 769  -1.372 -32.126 -21.313
  149    HZ3  LYS 769           HZ3      LYS 769  -0.547 -30.740 -21.536
  150    H    THR 770           H        THR 770  -2.656 -34.411 -15.089
  151    HA   THR 770           HA       THR 770  -5.159 -35.710 -15.843
  152    HB   THR 770           HB       THR 770  -3.304 -36.310 -13.519
  153    HG1  THR 770           HG1      THR 770  -3.409 -37.386 -16.157
  154   HG21  THR 770          HG21      THR 770  -4.229 -38.630 -13.825
  155   HG22  THR 770          HG22      THR 770  -5.411 -37.979 -14.975
  156   HG23  THR 770          HG23      THR 770  -5.455 -37.466 -13.274
  157    H    CYS 771           H        CYS 771  -4.098 -33.774 -12.975
  158    HA   CYS 771           HA       CYS 771  -6.833 -33.929 -11.836
  159    HB2  CYS 771           HB2      CYS 771  -4.220 -32.817 -10.758
  160    HB3  CYS 771           HB3      CYS 771  -5.725 -32.987  -9.852
  161    H    LYS 772           H        LYS 772  -4.845 -31.669 -13.588
  162    HA   LYS 772           HA       LYS 772  -5.172 -29.608 -14.403
  163    HB2  LYS 772           HB2      LYS 772  -8.085 -29.890 -13.555
  164    HB3  LYS 772           HB3      LYS 772  -7.417 -28.663 -14.617
  165    HG2  LYS 772           HG2      LYS 772  -8.262 -30.085 -16.159
  166    HG3  LYS 772           HG3      LYS 772  -6.590 -30.637 -16.108
  167    HD2  LYS 772           HD2      LYS 772  -7.301 -32.517 -14.615
  168    HD3  LYS 772           HD3      LYS 772  -8.972 -31.917 -14.668
  169    HE2  LYS 772           HE2      LYS 772  -9.000 -32.309 -17.115
  170    HE3  LYS 772           HE3      LYS 772  -7.305 -32.810 -17.062
  171    HZ1  LYS 772           HZ1      LYS 772  -8.714 -34.752 -17.031
  172    HZ2  LYS 772           HZ2      LYS 772  -9.566 -34.205 -15.746
  173    HZ3  LYS 772           HZ3      LYS 772  -7.994 -34.635 -15.568
  174    H    TYR 773           H        TYR 773  -3.825 -29.561 -12.178
  175    HA   TYR 773           HA       TYR 773  -4.452 -26.846 -11.130
  176    HB2  TYR 773           HB2      TYR 773  -3.859 -27.385  -8.887
  177    HB3  TYR 773           HB3      TYR 773  -5.122 -28.499  -9.383
  178    HD1  TYR 773           HD2      TYR 773  -1.444 -28.159  -8.775
  179    HD2  TYR 773           HD1      TYR 773  -4.737 -30.907  -9.326
  180    HE1  TYR 773           HE2      TYR 773   0.034 -30.060  -8.198
  181    HE2  TYR 773           HE1      TYR 773  -3.296 -32.767  -8.545
  182    HH   TYR 773           HH       TYR 773   0.185 -32.302  -7.841
  183    H    THR 774           H        THR 774  -2.535 -25.694 -10.306
  184    HA   THR 774           HA       THR 774   0.054 -26.704 -11.393
  185    HB   THR 774           HB       THR 774  -0.617 -23.791 -10.977
  186    HG1  THR 774           HG1      THR 774  -0.602 -25.146 -13.466
  187   HG21  THR 774          HG21      THR 774   1.809 -24.413 -11.125
  188   HG22  THR 774          HG22      THR 774   1.273 -23.421 -12.487
  189   HG23  THR 774          HG23      THR 774   1.512 -25.161 -12.698
  190    H    HIS 775           H        HIS 775   1.574 -27.090  -9.951
  191    HA   HIS 775           HA       HIS 775   1.682 -25.697  -7.307
  192    HB2  HIS 775           HB2      HIS 775   1.904 -28.676  -7.913
  193    HB3  HIS 775           HB3      HIS 775   2.700 -27.992  -6.517
  194    HD1  HIS 775           HD1      HIS 775   0.986 -29.995  -5.503
  195    HD2  HIS 775           HD2      HIS 775  -0.524 -26.195  -6.482
  196    HE1  HIS 775           HE1      HIS 775  -1.190 -29.715  -4.193
  197    H    PHE 776           H        PHE 776   4.007 -26.179  -6.332
  198    HA   PHE 776           HA       PHE 776   6.046 -25.337  -8.203
  199    HB2  PHE 776           HB2      PHE 776   6.734 -26.511  -5.531
  200    HB3  PHE 776           HB3      PHE 776   7.398 -25.108  -6.336
  201    HD1  PHE 776           HD1      PHE 776   5.765 -23.016  -6.525
  202    HD2  PHE 776           HD2      PHE 776   5.210 -26.291  -3.783
  203    HE1  PHE 776           HE1      PHE 776   4.143 -21.650  -5.210
  204    HE2  PHE 776           HE2      PHE 776   3.581 -24.927  -2.478
  205    HZ   PHE 776           HZ       PHE 776   3.049 -22.615  -3.210
  206    H    LYS 777           H        LYS 777   5.150 -28.431  -6.710
  207    HA   LYS 777           HA       LYS 777   6.875 -29.988  -8.566
  208    HB2  LYS 777           HB2      LYS 777   6.754 -30.286  -5.527
  209    HB3  LYS 777           HB3      LYS 777   7.552 -31.411  -6.620
  210    HG2  LYS 777           HG2      LYS 777   9.108 -29.610  -7.358
  211    HG3  LYS 777           HG3      LYS 777   8.344 -28.492  -6.209
  212    HD2  LYS 777           HD2      LYS 777   8.905 -30.025  -4.339
  213    HD3  LYS 777           HD3      LYS 777   9.762 -31.075  -5.493
  214    HE2  LYS 777           HE2      LYS 777  11.245 -29.169  -6.104
  215    HE3  LYS 777           HE3      LYS 777  10.394 -28.139  -4.944
  216    HZ1  LYS 777           HZ1      LYS 777  12.434 -29.053  -4.008
  217    HZ2  LYS 777           HZ2      LYS 777  11.916 -30.586  -4.244
  218    HZ3  LYS 777           HZ3      LYS 777  11.155 -29.623  -3.162
  219    HA   PRO 778           HA       PRO 778   3.188 -32.567  -8.587
  220    HB2  PRO 778           HB2      PRO 778   4.091 -34.941  -9.537
  221    HB3  PRO 778           HB3      PRO 778   4.083 -33.464 -10.550
  222    HG2  PRO 778           HG2      PRO 778   6.413 -34.674  -9.043
  223    HG3  PRO 778           HG3      PRO 778   6.373 -34.056 -10.720
  224    HD2  PRO 778           HD2      PRO 778   7.278 -32.582  -8.568
  225    HD3  PRO 778           HD3      PRO 778   6.543 -31.850 -10.012
  226    H    LYS 779           H        LYS 779   2.151 -34.249  -7.326
  227    HA   LYS 779           HA       LYS 779   3.430 -34.654  -4.719
  228    HB2  LYS 779           HB2      LYS 779   0.769 -35.677  -5.777
  229    HB3  LYS 779           HB3      LYS 779   1.308 -35.735  -4.093
  230    HG2  LYS 779           HG2      LYS 779   1.524 -33.203  -4.158
  231    HG3  LYS 779           HG3      LYS 779   0.757 -33.251  -5.733
  232    HD2  LYS 779           HD2      LYS 779  -0.389 -33.953  -3.024
  233    HD3  LYS 779           HD3      LYS 779  -0.939 -32.705  -4.125
  234    HE2  LYS 779           HE2      LYS 779  -1.286 -35.723  -4.441
  235    HE3  LYS 779           HE3      LYS 779  -2.530 -34.543  -4.030
  236    HZ1  LYS 779           HZ1      LYS 779  -1.156 -34.824  -6.642
  237    HZ2  LYS 779           HZ2      LYS 779  -2.088 -33.527  -6.259
  238    HZ3  LYS 779           HZ3      LYS 779  -2.733 -35.034  -6.311
  239    H    GLU 780           H        GLU 780   3.636 -36.628  -3.657
  240    HA   GLU 780           HA       GLU 780   5.058 -38.646  -5.039
  241    HB2  GLU 780           HB2      GLU 780   3.589 -38.976  -2.376
  242    HB3  GLU 780           HB3      GLU 780   4.890 -39.976  -3.008
  243    HG2  GLU 780           HG2      GLU 780   6.164 -38.675  -1.661
  244    HG3  GLU 780           HG3      GLU 780   6.216 -37.637  -3.076
  245    H    THR 781           H        THR 781   1.596 -38.483  -4.243
  246    HA   THR 781           HA       THR 781   0.877 -41.088  -5.273
  247    HB   THR 781           HB       THR 781  -1.440 -40.008  -5.360
  248    HG1  THR 781           HG1      THR 781  -1.565 -38.042  -4.200
  249   HG21  THR 781          HG21      THR 781   0.087 -39.932  -2.714
  250   HG22  THR 781          HG22      THR 781  -0.641 -41.368  -3.452
  251   HG23  THR 781          HG23      THR 781  -1.677 -40.044  -2.914
  252    H    CYS 782           H        CYS 782   1.001 -37.811  -6.730
  253    HA   CYS 782           HA       CYS 782  -0.096 -38.596  -9.248
  254    HB2  CYS 782           HB2      CYS 782   1.731 -36.265  -8.442
  255    HB3  CYS 782           HB3      CYS 782   1.078 -36.484 -10.060
  256    H    VAL 783           H        VAL 783   3.271 -38.400  -8.112
  257    HA   VAL 783           HA       VAL 783   4.465 -39.375 -10.541
  258    HB   VAL 783           HB       VAL 783   5.504 -39.412  -7.686
  259   HG11  VAL 783          HG11      VAL 783   6.980 -40.022 -10.286
  260   HG12  VAL 783          HG12      VAL 783   7.759 -39.731  -8.717
  261   HG13  VAL 783          HG13      VAL 783   6.720 -41.149  -8.928
  262   HG21  VAL 783          HG21      VAL 783   6.863 -37.490  -8.467
  263   HG22  VAL 783          HG22      VAL 783   6.149 -37.611 -10.080
  264   HG23  VAL 783          HG23      VAL 783   5.146 -37.147  -8.696
  265    H    SER 784           H        SER 784   3.402 -41.137  -7.559
  266    HA   SER 784           HA       SER 784   4.215 -43.726  -8.441
  267    HB2  SER 784           HB2      SER 784   3.741 -43.044  -6.108
  268    HB3  SER 784           HB3      SER 784   2.016 -42.962  -6.494
  269    HG   SER 784           HG       SER 784   2.686 -45.001  -5.529
  270    H    GLU 785           H        GLU 785   1.065 -42.052  -8.840
  271    HA   GLU 785           HA       GLU 785  -0.173 -44.295 -10.262
  272    HB2  GLU 785           HB2      GLU 785  -1.016 -41.414  -9.768
  273    HB3  GLU 785           HB3      GLU 785  -2.014 -42.589 -10.616
  274    HG2  GLU 785           HG2      GLU 785  -1.064 -42.952  -7.749
  275    HG3  GLU 785           HG3      GLU 785  -2.617 -42.279  -8.217
  276    H    ASN 786           H        ASN 786   2.106 -42.002 -11.236
  277    HA   ASN 786           HA       ASN 786   3.011 -41.424 -13.195
  278    HB2  ASN 786           HB2      ASN 786   1.414 -43.706 -14.429
  279    HB3  ASN 786           HB3      ASN 786   2.812 -42.902 -15.129
  280   HD21  ASN 786          HD21      ASN 786   1.788 -45.441 -13.022
  281   HD22  ASN 786          HD22      ASN 786   3.389 -45.899 -12.476
  282    H    HIS 787           H        HIS 787   0.985 -39.785 -12.416
  283    HA   HIS 787           HA       HIS 787  -0.857 -39.042 -14.528
  284    HB2  HIS 787           HB2      HIS 787   0.369 -37.467 -12.225
  285    HB3  HIS 787           HB3      HIS 787  -0.806 -36.809 -13.352
  286    HD2  HIS 787           HD2      HIS 787  -1.798 -40.319 -12.643
  287    HE1  HIS 787           HE1      HIS 787  -4.056 -38.053  -9.845
  288    HE2  HIS 787           HE2      HIS 787  -3.778 -40.340 -10.943
  289    H    ASP 788           H        ASP 788  -0.690 -37.314 -16.000
  290    HA   ASP 788           HA       ASP 788   2.042 -36.861 -17.111
  291    HB2  ASP 788           HB2      ASP 788  -0.756 -36.269 -18.157
  292    HB3  ASP 788           HB3      ASP 788   0.727 -35.729 -18.946
  293    H    PHE 789           H        PHE 789   3.004 -34.829 -17.207
  294    HA   PHE 789           HA       PHE 789   1.516 -32.502 -16.167
  295    HB2  PHE 789           HB2      PHE 789   4.116 -32.320 -15.028
  296    HB3  PHE 789           HB3      PHE 789   2.565 -32.294 -14.246
  297    HD1  PHE 789           HD2      PHE 789   1.668 -34.287 -13.113
  298    HD2  PHE 789           HD1      PHE 789   5.537 -34.298 -15.013
  299    HE1  PHE 789           HE2      PHE 789   2.318 -36.285 -11.790
  300    HE2  PHE 789           HE1      PHE 789   6.183 -36.302 -13.692
  301    HZ   PHE 789           HZ       PHE 789   4.571 -37.298 -12.070
  302    H    HIS 790           H        HIS 790   2.353 -30.495 -16.644
  303    HA   HIS 790           HA       HIS 790   4.546 -30.333 -18.702
  304    HB2  HIS 790           HB2      HIS 790   2.043 -28.648 -18.288
  305    HB3  HIS 790           HB3      HIS 790   3.460 -28.052 -19.136
  306    HD1  HIS 790           HD1      HIS 790   2.373 -27.822 -21.475
  307    HD2  HIS 790           HD2      HIS 790   2.028 -31.637 -19.750
  308    HE1  HIS 790           HE1      HIS 790   1.442 -29.348 -23.292
  309    H    TRP 791           H        TRP 791   6.367 -29.437 -17.886
  310    HA   TRP 791           HA       TRP 791   6.308 -27.852 -15.377
  311    HB2  TRP 791           HB2      TRP 791   8.554 -29.042 -17.026
  312    HB3  TRP 791           HB3      TRP 791   8.818 -27.956 -15.691
  313    HD1  TRP 791           HD1      TRP 791   7.662 -31.521 -16.398
  314    HE1  TRP 791           HE1      TRP 791   7.888 -32.925 -14.256
  315    HE3  TRP 791           HE3      TRP 791   8.617 -27.764 -13.052
  316    HZ2  TRP 791           HZ2      TRP 791   8.518 -32.487 -11.480
  317    HZ3  TRP 791           HZ3      TRP 791   9.025 -28.288 -10.658
  318    HH2  TRP 791           HH2      TRP 791   9.008 -30.639  -9.867
  319    H    HIS 792           H        HIS 792   7.102 -25.771 -15.217
  320    HA   HIS 792           HA       HIS 792   8.060 -24.133 -17.375
  321    HB2  HIS 792           HB2      HIS 792   6.126 -22.669 -17.625
  322    HB3  HIS 792           HB3      HIS 792   5.732 -24.286 -18.128
  323    HD1  HIS 792           HD1      HIS 792   4.333 -21.603 -16.031
  324    HD2  HIS 792           HD2      HIS 792   4.273 -25.812 -16.174
  325    HE1  HIS 792           HE1      HIS 792   2.251 -22.339 -14.768
  326    H    ASN 793           H        ASN 793   7.484 -21.590 -16.411
  327    HA   ASN 793           HA       ASN 793   8.525 -21.647 -13.606
  328    HB2  ASN 793           HB2      ASN 793   9.015 -19.712 -15.897
  329    HB3  ASN 793           HB3      ASN 793   9.380 -19.325 -14.211
  330   HD21  ASN 793          HD21      ASN 793  10.770 -20.991 -13.009
  331   HD22  ASN 793          HD22      ASN 793  12.088 -21.700 -13.946
  332    H    GLY 794           H        GLY 794   7.873 -20.072 -12.159
  333    HA2  GLY 794           HA2      GLY 794   5.518 -18.353 -12.635
  334    HA3  GLY 794           HA3      GLY 794   5.239 -19.728 -11.586
  335    H    VAL 795           H        VAL 795   4.722 -17.811 -10.141
  336    HA   VAL 795           HA       VAL 795   7.095 -17.158  -8.453
  337    HB   VAL 795           HB       VAL 795   4.910 -15.207  -9.283
  338   HG11  VAL 795          HG11      VAL 795   7.011 -14.922  -7.100
  339   HG12  VAL 795          HG12      VAL 795   6.069 -13.568  -7.774
  340   HG13  VAL 795          HG13      VAL 795   5.247 -14.866  -6.897
  341   HG21  VAL 795          HG21      VAL 795   6.781 -13.807 -10.036
  342   HG22  VAL 795          HG22      VAL 795   7.944 -15.049  -9.521
  343   HG23  VAL 795          HG23      VAL 795   6.816 -15.374 -10.857
  344    H    LYS 796           H        LYS 796   6.833 -17.566  -6.372
  345    HA   LYS 796           HA       LYS 796   4.207 -18.648  -5.476
  346    HB2  LYS 796           HB2      LYS 796   5.429 -20.045  -4.028
  347    HB3  LYS 796           HB3      LYS 796   6.281 -20.037  -5.566
  348    HG2  LYS 796           HG2      LYS 796   7.685 -18.060  -4.429
  349    HG3  LYS 796           HG3      LYS 796   7.100 -18.797  -2.932
  350    HD2  LYS 796           HD2      LYS 796   8.699 -20.096  -5.157
  351    HD3  LYS 796           HD3      LYS 796   9.319 -19.616  -3.581
  352    HE2  LYS 796           HE2      LYS 796   7.739 -21.233  -2.474
  353    HE3  LYS 796           HE3      LYS 796   7.196 -21.769  -4.067
  354    HZ1  LYS 796           HZ1      LYS 796   9.959 -22.018  -3.032
  355    HZ2  LYS 796           HZ2      LYS 796   9.475 -22.504  -4.515
  356    HZ3  LYS 796           HZ3      LYS 796   8.884 -23.243  -3.175
  357    H    ARG 797           H        ARG 797   3.376 -18.303  -3.453
  358    HA   ARG 797           HA       ARG 797   3.835 -15.626  -2.221
  359    HB2  ARG 797           HB2      ARG 797   1.201 -16.739  -3.304
  360    HB3  ARG 797           HB3      ARG 797   1.473 -15.136  -2.613
  361    HG2  ARG 797           HG2      ARG 797   3.157 -14.716  -4.449
  362    HG3  ARG 797           HG3      ARG 797   2.626 -16.217  -5.229
  363    HD2  ARG 797           HD2      ARG 797   0.543 -15.366  -5.820
  364    HD3  ARG 797           HD3      ARG 797   0.611 -14.074  -4.611
  365    HE   ARG 797           HE       ARG 797   2.296 -12.930  -5.882
  366   HH11  ARG 797          HH11      ARG 797   0.945 -15.614  -7.839
  367   HH12  ARG 797          HH12      ARG 797   1.488 -14.855  -9.308
  368   HH21  ARG 797          HH21      ARG 797   3.071 -12.187  -7.743
  369   HH22  ARG 797          HH22      ARG 797   2.660 -12.933  -9.278
  370    H    PHE 798           H        PHE 798   3.198 -15.437  -0.109
  371    HA   PHE 798           HA       PHE 798   2.896 -18.039   1.296
  372    HB2  PHE 798           HB2      PHE 798   4.083 -15.456   2.340
  373    HB3  PHE 798           HB3      PHE 798   4.294 -17.096   2.969
  374    HD1  PHE 798           HD1      PHE 798   5.394 -18.836   1.343
  375    HD2  PHE 798           HD2      PHE 798   5.714 -14.568   0.864
  376    HE1  PHE 798           HE1      PHE 798   7.367 -19.146  -0.139
  377    HE2  PHE 798           HE2      PHE 798   7.673 -14.875  -0.620
  378    HZ   PHE 798           HZ       PHE 798   8.499 -17.164  -1.133
  379    H    PHE 799           H        PHE 799   1.305 -18.432   2.711
  380    HA   PHE 799           HA       PHE 799  -0.439 -16.188   3.636
  381    HB2  PHE 799           HB2      PHE 799  -1.356 -18.911   2.656
  382    HB3  PHE 799           HB3      PHE 799  -2.372 -17.594   3.261
  383    HD1  PHE 799           HD1      PHE 799  -0.293 -18.783   0.429
  384    HD2  PHE 799           HD2      PHE 799  -2.817 -15.606   1.902
  385    HE1  PHE 799           HE1      PHE 799  -0.309 -17.748  -1.823
  386    HE2  PHE 799           HE2      PHE 799  -2.815 -14.568  -0.339
  387    HZ   PHE 799           HZ       PHE 799  -1.530 -15.621  -2.203
  388    H    LYS 800           H        LYS 800  -1.577 -16.434   5.526
  389    HA   LYS 800           HA       LYS 800  -0.883 -18.669   7.376
  390    HB2  LYS 800           HB2      LYS 800   0.642 -16.778   7.742
  391    HB3  LYS 800           HB3      LYS 800  -0.737 -15.684   7.957
  392    HG2  LYS 800           HG2      LYS 800  -1.394 -16.837  10.004
  393    HG3  LYS 800           HG3      LYS 800  -0.153 -18.077   9.764
  394    HD2  LYS 800           HD2      LYS 800   1.606 -16.316   9.970
  395    HD3  LYS 800           HD3      LYS 800   0.342 -15.097  10.214
  396    HE2  LYS 800           HE2      LYS 800  -0.453 -16.329  12.230
  397    HE3  LYS 800           HE3      LYS 800   0.815 -17.544  11.994
  398    HZ1  LYS 800           HZ1      LYS 800   2.456 -15.766  12.307
  399    HZ2  LYS 800           HZ2      LYS 800   1.475 -15.879  13.605
  400    HZ3  LYS 800           HZ3      LYS 800   1.268 -14.661  12.540
  401    H    CYS 801           H        CYS 801  -2.361 -19.177   8.897
  402    HA   CYS 801           HA       CYS 801  -5.170 -18.189   8.609
  403    HB2  CYS 801           HB2      CYS 801  -4.567 -20.598   8.095
  404    HB3  CYS 801           HB3      CYS 801  -3.989 -20.756   9.758
  405    HA   PRO 802           HA       PRO 802  -4.834 -16.356  12.658
  406    HB2  PRO 802           HB2      PRO 802  -7.397 -16.852  13.721
  407    HB3  PRO 802           HB3      PRO 802  -6.914 -15.514  12.657
  408    HG2  PRO 802           HG2      PRO 802  -8.152 -18.175  11.904
  409    HG3  PRO 802           HG3      PRO 802  -8.593 -16.548  11.307
  410    HD2  PRO 802           HD2      PRO 802  -7.041 -18.098   9.799
  411    HD3  PRO 802           HD3      PRO 802  -6.586 -16.391  10.009
  412    H    CYS 803           H        CYS 803  -5.586 -19.832  12.544
  413    HA   CYS 803           HA       CYS 803  -5.170 -20.248  15.397
  414    HB2  CYS 803           HB2      CYS 803  -5.290 -22.573  14.903
  415    HB3  CYS 803           HB3      CYS 803  -6.571 -21.741  14.010
  416    H    GLY 804           H        GLY 804  -3.049 -19.542  12.852
  417    HA2  GLY 804           HA2      GLY 804  -0.725 -19.080  13.203
  418    HA3  GLY 804           HA3      GLY 804  -0.623 -20.414  14.373
  419    H    ASN 805           H        ASN 805  -2.371 -21.776  11.951
  420    HA   ASN 805           HA       ASN 805  -0.113 -23.174  10.771
  421    HB2  ASN 805           HB2      ASN 805  -2.351 -24.203  11.208
  422    HB3  ASN 805           HB3      ASN 805  -3.054 -23.131   9.996
  423   HD21  ASN 805          HD21      ASN 805  -3.777 -24.840   8.622
  424   HD22  ASN 805          HD22      ASN 805  -2.621 -25.805   7.715
  425    H    ARG 806           H        ARG 806   0.559 -23.177   8.571
  426    HA   ARG 806           HA       ARG 806  -0.020 -20.710   6.986
  427    HB2  ARG 806           HB2      ARG 806   2.732 -21.838   7.618
  428    HB3  ARG 806           HB3      ARG 806   2.369 -20.434   6.600
  429    HG2  ARG 806           HG2      ARG 806   1.240 -19.363   8.574
  430    HG3  ARG 806           HG3      ARG 806   1.839 -20.676   9.589
  431    HD2  ARG 806           HD2      ARG 806   3.554 -18.731   8.032
  432    HD3  ARG 806           HD3      ARG 806   3.189 -18.672   9.752
  433    HE   ARG 806           HE       ARG 806   4.559 -20.537  10.176
  434   HH11  ARG 806          HH11      ARG 806   4.688 -19.782   6.712
  435   HH12  ARG 806          HH12      ARG 806   6.097 -20.766   6.465
  436   HH21  ARG 806          HH21      ARG 806   6.349 -21.785   9.785
  437   HH22  ARG 806          HH22      ARG 806   7.043 -21.863   8.195
  438    H    THR 807           H        THR 807   0.697 -20.779   4.770
  439    HA   THR 807           HA       THR 807   1.445 -23.291   3.511
  440    HB   THR 807           HB       THR 807  -1.064 -23.506   3.881
  441    HG1  THR 807           HG1      THR 807  -0.044 -24.758   2.410
  442   HG21  THR 807          HG21      THR 807  -1.689 -21.166   3.274
  443   HG22  THR 807          HG22      THR 807  -2.582 -22.390   2.366
  444   HG23  THR 807          HG23      THR 807  -1.246 -21.505   1.582
  445    H    ILE 808           H        ILE 808   1.206 -22.986   1.033
  446    HA   ILE 808           HA       ILE 808   2.119 -20.291   0.190
  447    HB   ILE 808           HB       ILE 808   3.675 -22.779  -0.615
  448   HG12  ILE 808          HG12      ILE 808   4.350 -20.848   1.653
  449   HG13  ILE 808          HG13      ILE 808   4.029 -22.584   1.778
  450   HG21  ILE 808          HG21      ILE 808   4.460 -19.829  -0.768
  451   HG22  ILE 808          HG22      ILE 808   5.328 -21.203  -1.475
  452   HG23  ILE 808          HG23      ILE 808   3.757 -20.724  -2.110
  453   HD11  ILE 808          HD11      ILE 808   6.071 -23.056   0.446
  454   HD12  ILE 808          HD12      ILE 808   6.470 -21.313   0.501
  455   HD13  ILE 808          HD13      ILE 808   6.381 -22.250   1.998
  456    H    SER 809           H        SER 809   1.561 -19.824  -1.930
  457    HA   SER 809           HA       SER 809   0.480 -21.961  -3.698
  458    HB2  SER 809           HB2      SER 809  -1.454 -21.001  -2.438
  459    HB3  SER 809           HB3      SER 809  -1.063 -19.413  -3.110
  460    HG   SER 809           HG       SER 809  -2.685 -20.725  -4.288
  461    H    LEU 810           H        LEU 810   0.140 -21.121  -5.930
  462    HA   LEU 810           HA       LEU 810   2.134 -19.044  -6.736
  463    HB2  LEU 810           HB2      LEU 810   0.428 -21.016  -8.323
  464    HB3  LEU 810           HB3      LEU 810   1.555 -19.863  -9.042
  465    HG   LEU 810           HG       LEU 810   2.393 -22.112  -7.130
  466   HD11  LEU 810          HD11      LEU 810   3.222 -23.262  -9.071
  467   HD12  LEU 810          HD12      LEU 810   2.642 -21.970 -10.146
  468   HD13  LEU 810          HD13      LEU 810   1.484 -22.970  -9.233
  469   HD21  LEU 810          HD21      LEU 810   4.674 -21.576  -7.942
  470   HD22  LEU 810          HD22      LEU 810   3.968 -20.212  -7.095
  471   HD23  LEU 810          HD23      LEU 810   4.033 -20.202  -8.870
  472    H    ASP 811           H        ASP 811  -1.203 -19.399  -6.049
  473    HA   ASP 811           HA       ASP 811  -2.064 -17.128  -7.752
  474    HB2  ASP 811           HB2      ASP 811  -3.557 -19.030  -5.909
  475    HB3  ASP 811           HB3      ASP 811  -4.320 -17.687  -6.758
  476    H    ARG 812           H        ARG 812  -3.425 -15.451  -6.769
  477    HA   ARG 812           HA       ARG 812  -2.137 -14.052  -4.634
  478    HB2  ARG 812           HB2      ARG 812  -3.868 -12.391  -4.924
  479    HB3  ARG 812           HB3      ARG 812  -3.279 -12.927  -6.481
  480    HG2  ARG 812           HG2      ARG 812  -5.276 -14.383  -6.769
  481    HG3  ARG 812           HG3      ARG 812  -5.881 -13.882  -5.180
  482    HD2  ARG 812           HD2      ARG 812  -5.999 -11.530  -5.969
  483    HD3  ARG 812           HD3      ARG 812  -5.345 -12.018  -7.536
  484    HE   ARG 812           HE       ARG 812  -7.368 -12.973  -8.145
  485   HH11  ARG 812          HH11      ARG 812  -7.655 -11.924  -4.769
  486   HH12  ARG 812          HH12      ARG 812  -9.392 -12.053  -4.790
  487   HH21  ARG 812          HH21      ARG 812  -9.577 -13.161  -8.082
  488   HH22  ARG 812          HH22      ARG 812 -10.460 -12.757  -6.636
  489    H    LEU 813           H        LEU 813  -4.366 -16.578  -4.407
  490    HA   LEU 813           HA       LEU 813  -4.395 -16.526  -1.541
  491    HB2  LEU 813           HB2      LEU 813  -6.329 -14.920  -2.255
  492    HB3  LEU 813           HB3      LEU 813  -7.099 -16.339  -2.935
  493    HG   LEU 813           HG       LEU 813  -7.075 -17.367  -0.604
  494   HD11  LEU 813          HD11      LEU 813  -5.279 -15.919   0.405
  495   HD12  LEU 813          HD12      LEU 813  -6.789 -15.799   1.308
  496   HD13  LEU 813          HD13      LEU 813  -6.319 -14.503   0.196
  497   HD21  LEU 813          HD21      LEU 813  -8.555 -14.724  -0.998
  498   HD22  LEU 813          HD22      LEU 813  -8.988 -16.000   0.169
  499   HD23  LEU 813          HD23      LEU 813  -9.082 -16.330  -1.570
  500    HA   PRO 814           HA       PRO 814  -4.719 -20.865  -2.868
  501    HB2  PRO 814           HB2      PRO 814  -4.846 -22.162  -0.471
  502    HB3  PRO 814           HB3      PRO 814  -3.347 -21.360  -1.040
  503    HG2  PRO 814           HG2      PRO 814  -5.459 -20.265   0.827
  504    HG3  PRO 814           HG3      PRO 814  -3.688 -20.281   1.078
  505    HD2  PRO 814           HD2      PRO 814  -5.011 -18.107   0.137
  506    HD3  PRO 814           HD3      PRO 814  -3.388 -18.526  -0.462
  507    H    LYS 815           H        LYS 815  -6.320 -22.564  -2.976
  508    HA   LYS 815           HA       LYS 815  -9.071 -21.593  -2.646
  509    HB2  LYS 815           HB2      LYS 815  -9.607 -23.499  -4.070
  510    HB3  LYS 815           HB3      LYS 815  -8.241 -22.602  -4.740
  511    HG2  LYS 815           HG2      LYS 815  -6.667 -24.319  -3.791
  512    HG3  LYS 815           HG3      LYS 815  -8.065 -25.231  -3.173
  513    HD2  LYS 815           HD2      LYS 815  -8.935 -25.476  -5.440
  514    HD3  LYS 815           HD3      LYS 815  -7.538 -24.545  -6.059
  515    HE2  LYS 815           HE2      LYS 815  -5.996 -26.284  -5.232
  516    HE3  LYS 815           HE3      LYS 815  -7.340 -27.167  -4.502
  517    HZ1  LYS 815           HZ1      LYS 815  -6.714 -28.106  -6.646
  518    HZ2  LYS 815           HZ2      LYS 815  -6.998 -26.685  -7.412
  519    HZ3  LYS 815           HZ3      LYS 815  -8.236 -27.515  -6.737
  520    H    LYS 816           H        LYS 816  -6.961 -23.808  -1.054
  521    HA   LYS 816           HA       LYS 816  -8.978 -25.697  -0.221
  522    HB2  LYS 816           HB2      LYS 816  -7.045 -26.741   0.992
  523    HB3  LYS 816           HB3      LYS 816  -6.842 -26.566  -0.747
  524    HG2  LYS 816           HG2      LYS 816  -5.242 -24.871  -0.562
  525    HG3  LYS 816           HG3      LYS 816  -5.719 -24.414   1.075
  526    HD2  LYS 816           HD2      LYS 816  -4.881 -26.629   1.906
  527    HD3  LYS 816           HD3      LYS 816  -4.287 -26.986   0.280
  528    HE2  LYS 816           HE2      LYS 816  -3.455 -24.560   1.952
  529    HE3  LYS 816           HE3      LYS 816  -2.573 -26.091   1.929
  530    HZ1  LYS 816           HZ1      LYS 816  -1.610 -24.498   0.425
  531    HZ2  LYS 816           HZ2      LYS 816  -2.999 -24.339  -0.423
  532    HZ3  LYS 816           HZ3      LYS 816  -2.178 -25.762  -0.440
  533    H    HIS 817           H        HIS 817  -9.551 -26.297   1.943
  534    HA   HIS 817           HA       HIS 817  -9.656 -24.127   3.968
  535    HB2  HIS 817           HB2      HIS 817 -10.645 -26.995   3.860
  536    HB3  HIS 817           HB3      HIS 817 -10.642 -26.058   5.344
  537    HD1  HIS 817           HD1      HIS 817 -13.122 -25.608   5.712
  538    HD2  HIS 817           HD2      HIS 817 -11.787 -24.700   1.827
  539    HE1  HIS 817           HE1      HIS 817 -15.062 -24.433   4.539
  540    H    CYS 818           H        CYS 818  -8.887 -24.496   6.160
  541    HA   CYS 818           HA       CYS 818  -6.101 -25.013   6.278
  542    HB2  CYS 818           HB2      CYS 818  -7.350 -23.383   7.620
  543    HB3  CYS 818           HB3      CYS 818  -8.219 -24.669   8.442
  544    H    SER 819           H        SER 819  -4.924 -26.751   6.824
  545    HA   SER 819           HA       SER 819  -6.073 -29.385   7.231
  546    HB2  SER 819           HB2      SER 819  -3.209 -28.414   7.608
  547    HB3  SER 819           HB3      SER 819  -3.748 -30.096   7.435
  548    HG   SER 819           HG       SER 819  -2.935 -29.237   5.455
  549    H    THR 820           H        THR 820  -5.473 -26.819   9.446
  550    HA   THR 820           HA       THR 820  -4.927 -28.656  11.751
  551    HB   THR 820           HB       THR 820  -4.502 -25.668  11.424
  552    HG1  THR 820           HG1      THR 820  -3.062 -27.063  10.304
  553   HG21  THR 820          HG21      THR 820  -4.959 -26.116  13.780
  554   HG22  THR 820          HG22      THR 820  -3.225 -25.853  13.555
  555   HG23  THR 820          HG23      THR 820  -3.844 -27.500  13.771
  556    H    CYS 821           H        CYS 821  -7.177 -26.009  10.785
  557    HA   CYS 821           HA       CYS 821  -8.934 -26.882  13.041
  558    HB2  CYS 821           HB2      CYS 821  -9.588 -24.645  13.427
  559    HB3  CYS 821           HB3      CYS 821  -7.831 -24.761  13.536
  560    H    GLY 822           H        GLY 822  -8.885 -26.402   9.637
  561    HA2  GLY 822           HA2      GLY 822 -10.362 -27.506   8.231
  562    HA3  GLY 822           HA3      GLY 822 -11.554 -27.609   9.534
  563    H    LEU 823           H        LEU 823 -10.862 -24.403   9.483
  564    HA   LEU 823           HA       LEU 823 -13.135 -23.782   7.681
  565    HB2  LEU 823           HB2      LEU 823 -13.139 -21.593   8.796
  566    HB3  LEU 823           HB3      LEU 823 -13.364 -22.954   9.868
  567    HG   LEU 823           HG       LEU 823 -11.184 -22.731  10.824
  568   HD11  LEU 823          HD11      LEU 823  -9.751 -22.014   8.986
  569   HD12  LEU 823          HD12      LEU 823  -9.704 -20.757  10.224
  570   HD13  LEU 823          HD13      LEU 823 -10.689 -20.523   8.776
  571   HD21  LEU 823          HD21      LEU 823 -13.023 -21.328  11.677
  572   HD22  LEU 823          HD22      LEU 823 -12.545 -20.013  10.583
  573   HD23  LEU 823          HD23      LEU 823 -11.455 -20.540  11.884
  574    H    PHE 824           H        PHE 824 -12.749 -21.311   6.832
  575    HA   PHE 824           HA       PHE 824 -10.212 -21.257   5.249
  576    HB2  PHE 824           HB2      PHE 824 -12.214 -21.990   3.903
  577    HB3  PHE 824           HB3      PHE 824 -12.986 -20.460   4.254
  578    HD1  PHE 824           HD2      PHE 824 -10.275 -22.147   2.420
  579    HD2  PHE 824           HD1      PHE 824 -12.169 -18.358   3.188
  580    HE1  PHE 824           HE2      PHE 824  -9.053 -21.155   0.507
  581    HE2  PHE 824           HE1      PHE 824 -10.949 -17.355   1.271
  582    HZ   PHE 824           HZ       PHE 824  -9.395 -18.756  -0.083
  583    H    LYS 825           H        LYS 825  -9.122 -19.729   6.370
  584    HA   LYS 825           HA       LYS 825 -10.109 -16.952   6.390
  585    HB2  LYS 825           HB2      LYS 825  -9.242 -18.481   8.890
  586    HB3  LYS 825           HB3      LYS 825  -9.314 -16.724   8.829
  587    HG2  LYS 825           HG2      LYS 825 -11.728 -18.536   8.465
  588    HG3  LYS 825           HG3      LYS 825 -11.262 -17.728   9.954
  589    HD2  LYS 825           HD2      LYS 825 -11.567 -15.532   8.957
  590    HD3  LYS 825           HD3      LYS 825 -11.919 -16.227   7.368
  591    HE2  LYS 825           HE2      LYS 825 -13.586 -16.771   9.862
  592    HE3  LYS 825           HE3      LYS 825 -13.931 -15.474   8.707
  593    HZ1  LYS 825           HZ1      LYS 825 -15.222 -17.425   8.186
  594    HZ2  LYS 825           HZ2      LYS 825 -13.889 -18.360   8.047
  595    HZ3  LYS 825           HZ3      LYS 825 -14.149 -17.154   6.973
  596    H    TRP 826           H        TRP 826  -8.105 -18.303   4.799
  597    HA   TRP 826           HA       TRP 826  -5.459 -17.712   5.653
  598    HB2  TRP 826           HB2      TRP 826  -6.623 -17.869   2.854
  599    HB3  TRP 826           HB3      TRP 826  -4.904 -17.818   3.235
  600    HD1  TRP 826           HD1      TRP 826  -7.538 -20.178   2.532
  601    HE1  TRP 826           HE1      TRP 826  -6.888 -22.582   3.096
  602    HE3  TRP 826           HE3      TRP 826  -3.432 -19.199   5.421
  603    HZ2  TRP 826           HZ2      TRP 826  -4.834 -23.917   4.664
  604    HZ3  TRP 826           HZ3      TRP 826  -2.157 -21.061   6.455
  605    HH2  TRP 826           HH2      TRP 826  -2.837 -23.422   6.081
  606    H    GLU 827           H        GLU 827  -4.185 -15.999   5.587
  607    HA   GLU 827           HA       GLU 827  -5.047 -13.447   4.275
  608    HB2  GLU 827           HB2      GLU 827  -5.368 -13.335   6.685
  609    HB3  GLU 827           HB3      GLU 827  -3.729 -13.907   6.992
  610    HG2  GLU 827           HG2      GLU 827  -2.761 -11.877   6.130
  611    HG3  GLU 827           HG3      GLU 827  -4.300 -11.332   5.470
  612    H    ARG 828           H        ARG 828  -3.488 -12.490   3.037
  613    HA   ARG 828           HA       ARG 828  -1.086 -13.891   2.354
  614    HB2  ARG 828           HB2      ARG 828  -2.312 -12.416   0.796
  615    HB3  ARG 828           HB3      ARG 828  -1.937 -11.021   1.799
  616    HG2  ARG 828           HG2      ARG 828  -0.451 -10.983  -0.062
  617    HG3  ARG 828           HG3      ARG 828   0.499 -11.369   1.366
  618    HD2  ARG 828           HD2      ARG 828   0.181 -13.867   0.655
  619    HD3  ARG 828           HD3      ARG 828  -0.379 -13.234  -0.876
  620    HE   ARG 828           HE       ARG 828   2.345 -12.980   0.318
  621   HH11  ARG 828          HH11      ARG 828   0.338 -12.167  -2.525
  622   HH12  ARG 828          HH12      ARG 828   1.782 -11.952  -3.508
  623   HH21  ARG 828          HH21      ARG 828   4.100 -12.660  -1.152
  624   HH22  ARG 828          HH22      ARG 828   3.675 -12.218  -2.801
  625    H    VAL 829           H        VAL 829   0.862 -13.852   3.217
  626    HA   VAL 829           HA       VAL 829   1.665 -11.659   5.088
  627    HB   VAL 829           HB       VAL 829   3.015 -13.262   6.377
  628   HG11  VAL 829          HG11      VAL 829   0.059 -13.938   6.381
  629   HG12  VAL 829          HG12      VAL 829   1.205 -14.128   7.724
  630   HG13  VAL 829          HG13      VAL 829   0.798 -12.502   7.145
  631   HG21  VAL 829          HG21      VAL 829   1.495 -15.471   4.945
  632   HG22  VAL 829          HG22      VAL 829   3.225 -15.102   4.719
  633   HG23  VAL 829          HG23      VAL 829   2.628 -15.661   6.293
  634    H    GLY 830           H        GLY 830   4.149 -11.712   5.393
  635    HA2  GLY 830           HA2      GLY 830   5.265 -11.238   2.765
  636    HA3  GLY 830           HA3      GLY 830   6.033 -10.878   4.319
  637    H    MET 831           H        MET 831   7.803 -11.601   2.810
  638    HA   MET 831           HA       MET 831   8.105 -14.360   2.105
  639    HB2  MET 831           HB2      MET 831   9.150 -12.628   0.829
  640    HB3  MET 831           HB3      MET 831  10.047 -12.018   2.234
  641    HG2  MET 831           HG2      MET 831  11.393 -14.043   2.309
  642    HG3  MET 831           HG3      MET 831  10.432 -14.789   1.035
  643    HE1  MET 831           HE1      MET 831  12.958 -15.354   0.249
  644    HE2  MET 831           HE2      MET 831  14.122 -14.114  -0.284
  645    HE3  MET 831           HE3      MET 831  13.687 -14.266   1.436
  646    H    LEU 832           H        LEU 832   9.368 -15.985   2.986
  647    HA   LEU 832           HA       LEU 832   9.859 -15.874   5.890
  648    HB2  LEU 832           HB2      LEU 832  10.097 -18.135   3.842
  649    HB3  LEU 832           HB3      LEU 832  10.403 -18.304   5.557
  650    HG   LEU 832           HG       LEU 832   8.285 -19.218   5.148
  651   HD11  LEU 832          HD11      LEU 832   7.777 -16.495   6.413
  652   HD12  LEU 832          HD12      LEU 832   8.527 -17.884   7.228
  653   HD13  LEU 832          HD13      LEU 832   6.848 -17.989   6.663
  654   HD21  LEU 832          HD21      LEU 832   7.832 -17.987   2.993
  655   HD22  LEU 832          HD22      LEU 832   7.205 -16.638   3.976
  656   HD23  LEU 832          HD23      LEU 832   6.432 -18.232   4.056
  657    H    LYS 833           H        LYS 833  11.767 -16.350   6.892
  658    HA   LYS 833           HA       LYS 833  14.286 -16.397   5.272
  659    HB2  LYS 833           HB2      LYS 833  13.857 -15.284   8.082
  660    HB3  LYS 833           HB3      LYS 833  15.404 -15.439   7.286
  661    HG2  LYS 833           HG2      LYS 833  13.092 -13.645   6.414
  662    HG3  LYS 833           HG3      LYS 833  14.560 -13.130   7.227
  663    HD2  LYS 833           HD2      LYS 833  14.418 -14.296   4.409
  664    HD3  LYS 833           HD3      LYS 833  14.591 -12.593   4.834
  665    HE2  LYS 833           HE2      LYS 833  16.747 -13.097   5.988
  666    HE3  LYS 833           HE3      LYS 833  16.586 -14.790   5.513
  667    HZ1  LYS 833           HZ1      LYS 833  16.656 -14.080   3.184
  668    HZ2  LYS 833           HZ2      LYS 833  17.998 -13.572   3.968
  669    HZ3  LYS 833           HZ3      LYS 833  16.803 -12.511   3.620
  670    H    GLU 834           H        GLU 834  15.774 -17.949   5.794
  671    HA   GLU 834           HA       GLU 834  15.510 -19.743   8.078
  672    HB2  GLU 834           HB2      GLU 834  15.241 -21.802   6.782
  673    HB3  GLU 834           HB3      GLU 834  13.844 -20.751   6.627
  674    HG2  GLU 834           HG2      GLU 834  14.639 -20.021   4.372
  675    HG3  GLU 834           HG3      GLU 834  16.057 -21.066   4.549
  676    H    LYS 835           H        LYS 835  17.240 -21.286   8.215
  677    HA   LYS 835           HA       LYS 835  19.603 -21.152   6.572
  678    HB2  LYS 835           HB2      LYS 835  21.092 -19.985   7.949
  679    HB3  LYS 835           HB3      LYS 835  19.711 -18.922   7.763
  680    HG2  LYS 835           HG2      LYS 835  20.392 -20.586  10.234
  681    HG3  LYS 835           HG3      LYS 835  20.658 -18.860  10.023
  682    HD2  LYS 835           HD2      LYS 835  18.162 -18.546   9.811
  683    HD3  LYS 835           HD3      LYS 835  17.974 -20.266  10.220
  684    HE2  LYS 835           HE2      LYS 835  19.181 -19.912  12.345
  685    HE3  LYS 835           HE3      LYS 835  19.381 -18.202  11.957
  686    HZ1  LYS 835           HZ1      LYS 835  16.781 -19.571  12.375
  687    HZ2  LYS 835           HZ2      LYS 835  16.946 -17.994  11.987
  688    HZ3  LYS 835           HZ3      LYS 835  17.495 -18.545  13.421
  689    H    THR 836           H        THR 836  21.470 -22.320   7.600
  690    HA   THR 836           HA       THR 836  20.634 -24.501   9.481
  691    HB   THR 836           HB       THR 836  22.165 -26.021   8.171
  692    HG1  THR 836           HG1      THR 836  23.272 -24.457   6.962
  693   HG21  THR 836          HG21      THR 836  20.537 -26.540   6.423
  694   HG22  THR 836          HG22      THR 836  19.747 -24.966   6.637
  695   HG23  THR 836          HG23      THR 836  19.705 -26.167   7.946
  696    H    GLY 837           H        GLY 837  22.208 -25.355  10.790
  697    HA2  GLY 837           HA2      GLY 837  24.557 -23.631  11.403
  698    HA3  GLY 837           HA3      GLY 837  23.828 -24.850  12.447
  699    HA   PRO 838           HA       PRO 838  27.409 -27.192  10.971
  700    HB2  PRO 838           HB2      PRO 838  27.040 -29.551  12.319
  701    HB3  PRO 838           HB3      PRO 838  27.577 -28.037  13.122
  702    HG2  PRO 838           HG2      PRO 838  24.759 -29.151  12.957
  703    HG3  PRO 838           HG3      PRO 838  25.634 -28.557  14.402
  704    HD2  PRO 838           HD2      PRO 838  23.882 -26.992  13.023
  705    HD3  PRO 838           HD3      PRO 838  25.374 -26.305  13.742
  706    H    LYS 839           H        LYS 839  27.833 -28.776   9.422
  707    HA   LYS 839           HA       LYS 839  25.792 -29.197   7.507
  708    HB2  LYS 839           HB2      LYS 839  27.498 -30.378   6.244
  709    HB3  LYS 839           HB3      LYS 839  28.161 -28.920   6.976
  710    HG2  LYS 839           HG2      LYS 839  29.204 -30.298   8.775
  711    HG3  LYS 839           HG3      LYS 839  28.561 -31.763   8.007
  712    HD2  LYS 839           HD2      LYS 839  29.883 -31.271   5.959
  713    HD3  LYS 839           HD3      LYS 839  30.458 -29.766   6.698
  714    HE2  LYS 839           HE2      LYS 839  32.227 -31.356   6.932
  715    HE3  LYS 839           HE3      LYS 839  31.537 -31.078   8.533
  716    HZ1  LYS 839           HZ1      LYS 839  31.918 -33.437   8.095
  717    HZ2  LYS 839           HZ2      LYS 839  30.932 -33.405   6.792
  718    HZ3  LYS 839           HZ3      LYS 839  30.317 -33.172   8.294
  719    H    LEU 840           H        LEU 840  26.703 -31.260  10.130
  720    HA   LEU 840           HA       LEU 840  25.293 -33.631   9.034
  721    HB2  LEU 840           HB2      LEU 840  27.615 -33.748  10.007
  722    HB3  LEU 840           HB3      LEU 840  26.963 -33.221  11.561
  723    HG   LEU 840           HG       LEU 840  25.653 -35.308  11.729
  724   HD11  LEU 840          HD11      LEU 840  26.960 -36.048   9.071
  725   HD12  LEU 840          HD12      LEU 840  25.217 -35.831   9.369
  726   HD13  LEU 840          HD13      LEU 840  26.076 -37.175  10.122
  727   HD21  LEU 840          HD21      LEU 840  27.545 -36.825  12.071
  728   HD22  LEU 840          HD22      LEU 840  27.947 -35.198  12.640
  729   HD23  LEU 840          HD23      LEU 840  28.595 -35.780  11.091
  730    H    GLY 841           H        GLY 841  24.672 -31.007  11.206
  731    HA2  GLY 841           HA2      GLY 841  22.761 -30.538  12.524
  732    HA3  GLY 841           HA3      GLY 841  22.137 -32.164  12.184
  733    H    GLY 842           H        GLY 842  21.711 -32.827  14.231
  734    HA2  GLY 842           HA2      GLY 842  23.795 -33.934  15.855
  735    HA3  GLY 842           HA3      GLY 842  23.235 -32.434  16.599
  Start of MODEL    6
    1    H1   GLY  -4           H1       GLY  -4  21.950   0.065  -8.780
    2    H2   GLY  -4           H2       GLY  -4  23.128   0.639  -7.801
    3    H3   GLY  -4           H3       GLY  -4  21.991  -0.391  -7.215
    4    HA2  GLY  -4           HA2      GLY  -4  24.052  -1.049  -9.218
    5    HA3  GLY  -4           HA3      GLY  -4  24.060  -1.562  -7.519
    6    HA   PRO  -3           HA       PRO  -3  22.199  -4.960 -10.160
    7    HB2  PRO  -3           HB2      PRO  -3  23.783  -6.520  -8.120
    8    HB3  PRO  -3           HB3      PRO  -3  23.562  -6.850  -9.869
    9    HG2  PRO  -3           HG2      PRO  -3  25.869  -5.738  -8.967
   10    HG3  PRO  -3           HG3      PRO  -3  25.096  -5.125 -10.461
   11    HD2  PRO  -3           HD2      PRO  -3  24.979  -3.970  -7.674
   12    HD3  PRO  -3           HD3      PRO  -3  25.240  -3.141  -9.227
   13    H    MET  -2           H        MET  -2  20.646  -6.578  -9.616
   14    HA   MET  -2           HA       MET  -2  18.824  -5.855  -7.588
   15    HB2  MET  -2           HB2      MET  -2  19.007  -8.455  -9.177
   16    HB3  MET  -2           HB3      MET  -2  17.614  -7.904  -8.250
   17    HG2  MET  -2           HG2      MET  -2  17.089  -7.360 -10.450
   18    HG3  MET  -2           HG3      MET  -2  17.520  -5.841  -9.690
   19    HE1  MET  -2           HE1      MET  -2  18.423  -8.602 -12.289
   20    HE2  MET  -2           HE2      MET  -2  20.008  -8.078 -12.916
   21    HE3  MET  -2           HE3      MET  -2  19.876  -8.714 -11.266
   22    H    GLY  -1           H        GLY  -1  21.574  -7.937  -7.317
   23    HA2  GLY  -1           HA2      GLY  -1  20.676  -9.651  -5.178
   24    HA3  GLY  -1           HA3      GLY  -1  22.357  -9.364  -5.679
   25    H    MET 755           H        MET 755  21.587  -6.333  -5.129
   26    HA   MET 755           HA       MET 755  22.479  -6.255  -2.342
   27    HB2  MET 755           HB2      MET 755  21.818  -4.143  -4.434
   28    HB3  MET 755           HB3      MET 755  22.217  -3.730  -2.769
   29    HG2  MET 755           HG2      MET 755  24.212  -3.535  -3.999
   30    HG3  MET 755           HG3      MET 755  24.370  -4.933  -2.964
   31    HE1  MET 755           HE1      MET 755  26.416  -4.260  -5.236
   32    HE2  MET 755           HE2      MET 755  26.509  -5.701  -4.196
   33    HE3  MET 755           HE3      MET 755  26.652  -5.867  -5.956
   34    H    GLN 756           H        GLN 756  19.420  -6.772  -3.587
   35    HA   GLN 756           HA       GLN 756  18.142  -5.886  -1.052
   36    HB2  GLN 756           HB2      GLN 756  16.163  -5.099  -2.219
   37    HB3  GLN 756           HB3      GLN 756  17.571  -4.158  -2.675
   38    HG2  GLN 756           HG2      GLN 756  17.739  -5.368  -4.827
   39    HG3  GLN 756           HG3      GLN 756  16.372  -6.394  -4.374
   40   HE21  GLN 756          HE21      GLN 756  14.199  -5.295  -4.098
   41   HE22  GLN 756          HE22      GLN 756  13.911  -3.837  -5.036
   42    H    SER 757           H        SER 757  15.797  -6.949  -1.001
   43    HA   SER 757           HA       SER 757  15.645  -9.601  -2.240
   44    HB2  SER 757           HB2      SER 757  17.203  -9.887  -0.277
   45    HB3  SER 757           HB3      SER 757  15.858  -9.416   0.777
   46    HG   SER 757           HG       SER 757  16.078 -11.726   0.478
   47    H    ILE 758           H        ILE 758  13.644 -10.701  -1.743
   48    HA   ILE 758           HA       ILE 758  11.380  -9.136  -0.658
   49    HB   ILE 758           HB       ILE 758  11.007 -10.314  -3.429
   50   HG12  ILE 758          HG12      ILE 758  11.153  -7.851  -4.302
   51   HG13  ILE 758          HG13      ILE 758  12.278  -7.597  -2.978
   52   HG21  ILE 758          HG21      ILE 758   9.045  -9.637  -2.080
   53   HG22  ILE 758          HG22      ILE 758   9.712  -7.990  -1.934
   54   HG23  ILE 758          HG23      ILE 758   9.198  -8.633  -3.508
   55   HD11  ILE 758          HD11      ILE 758  12.522  -9.630  -5.254
   56   HD12  ILE 758          HD12      ILE 758  13.417  -8.108  -5.091
   57   HD13  ILE 758          HD13      ILE 758  13.736  -9.423  -3.973
   58    H    ARG 759           H        ARG 759   9.680 -10.458   0.016
   59    HA   ARG 759           HA       ARG 759  10.151 -13.166   0.641
   60    HB2  ARG 759           HB2      ARG 759   7.852 -13.359   1.240
   61    HB3  ARG 759           HB3      ARG 759   8.501 -11.844   1.849
   62    HG2  ARG 759           HG2      ARG 759   6.800 -11.999  -0.682
   63    HG3  ARG 759           HG3      ARG 759   6.089 -11.888   0.917
   64    HD2  ARG 759           HD2      ARG 759   6.781  -9.710   1.271
   65    HD3  ARG 759           HD3      ARG 759   8.110  -9.799   0.130
   66    HE   ARG 759           HE       ARG 759   6.479  -9.799  -1.739
   67   HH11  ARG 759          HH11      ARG 759   5.253  -8.427   1.315
   68   HH12  ARG 759          HH12      ARG 759   4.078  -7.483   0.452
   69   HH21  ARG 759          HH21      ARG 759   5.065  -8.667  -2.688
   70   HH22  ARG 759          HH22      ARG 759   3.947  -7.605  -1.831
   71    H    GLU 760           H        GLU 760   8.439 -11.832  -2.182
   72    HA   GLU 760           HA       GLU 760   7.753 -14.420  -3.292
   73    HB2  GLU 760           HB2      GLU 760   6.808 -13.210  -5.124
   74    HB3  GLU 760           HB3      GLU 760   6.345 -12.470  -3.599
   75    HG2  GLU 760           HG2      GLU 760   8.542 -10.942  -4.182
   76    HG3  GLU 760           HG3      GLU 760   8.080 -11.436  -5.817
   77    H    GLN 761           H        GLN 761   8.644 -15.499  -4.978
   78    HA   GLN 761           HA       GLN 761  11.342 -14.821  -5.937
   79    HB2  GLN 761           HB2      GLN 761  12.341 -16.747  -4.748
   80    HB3  GLN 761           HB3      GLN 761  11.739 -15.517  -3.639
   81    HG2  GLN 761           HG2      GLN 761   9.615 -16.982  -3.398
   82    HG3  GLN 761           HG3      GLN 761  10.508 -18.238  -4.255
   83   HE21  GLN 761          HE21      GLN 761  10.381 -16.283  -1.243
   84   HE22  GLN 761          HE22      GLN 761  11.392 -17.391  -0.325
   85    H    SER 762           H        SER 762  11.790 -15.844  -7.864
   86    HA   SER 762           HA       SER 762   9.628 -17.412  -9.027
   87    HB2  SER 762           HB2      SER 762  11.096 -17.392 -11.066
   88    HB3  SER 762           HB3      SER 762  10.556 -15.820 -10.478
   89    HG   SER 762           HG       SER 762  12.797 -15.780 -11.002
   90    H    CYS 763           H        CYS 763   9.635 -19.487  -9.700
   91    HA   CYS 763           HA       CYS 763  11.911 -21.307  -9.295
   92    HB2  CYS 763           HB2      CYS 763  10.903 -20.914  -6.991
   93    HB3  CYS 763           HB3      CYS 763   9.388 -21.617  -7.593
   94    HG   CYS 763           HG       CYS 763  10.718 -23.351  -6.085
   95    H    ARG 764           H        ARG 764  11.400 -23.498 -10.050
   96    HA   ARG 764           HA       ARG 764   9.576 -23.433 -12.327
   97    HB2  ARG 764           HB2      ARG 764  11.881 -24.658 -12.134
   98    HB3  ARG 764           HB3      ARG 764  10.926 -25.973 -11.431
   99    HG2  ARG 764           HG2      ARG 764   9.453 -25.930 -13.485
  100    HG3  ARG 764           HG3      ARG 764  10.441 -24.611 -14.132
  101    HD2  ARG 764           HD2      ARG 764  12.452 -26.204 -13.966
  102    HD3  ARG 764           HD3      ARG 764  11.295 -27.479 -13.556
  103    HE   ARG 764           HE       ARG 764  10.665 -27.627 -15.756
  104   HH11  ARG 764          HH11      ARG 764  12.551 -24.651 -15.458
  105   HH12  ARG 764          HH12      ARG 764  12.581 -24.397 -17.177
  106   HH21  ARG 764          HH21      ARG 764  10.732 -27.231 -17.954
  107   HH22  ARG 764          HH22      ARG 764  11.579 -25.843 -18.563
  108    H    VAL 765           H        VAL 765   7.620 -24.199 -12.456
  109    HA   VAL 765           HA       VAL 765   6.285 -25.569 -10.158
  110    HB   VAL 765           HB       VAL 765   4.214 -24.360 -10.809
  111   HG11  VAL 765          HG11      VAL 765   5.520 -23.554  -8.907
  112   HG12  VAL 765          HG12      VAL 765   6.507 -22.543  -9.977
  113   HG13  VAL 765          HG13      VAL 765   4.773 -22.207  -9.765
  114   HG21  VAL 765          HG21      VAL 765   4.252 -22.381 -12.198
  115   HG22  VAL 765          HG22      VAL 765   5.995 -22.528 -12.469
  116   HG23  VAL 765          HG23      VAL 765   4.884 -23.740 -13.144
  117    H    VAL 766           H        VAL 766   4.423 -26.809 -10.733
  118    HA   VAL 766           HA       VAL 766   4.577 -28.057 -13.452
  119    HB   VAL 766           HB       VAL 766   5.518 -29.499 -11.624
  120   HG11  VAL 766          HG11      VAL 766   2.637 -29.613 -10.617
  121   HG12  VAL 766          HG12      VAL 766   3.916 -30.695 -10.144
  122   HG13  VAL 766          HG13      VAL 766   4.053 -28.978  -9.733
  123   HG21  VAL 766          HG21      VAL 766   3.051 -30.699 -12.928
  124   HG22  VAL 766          HG22      VAL 766   4.605 -30.411 -13.745
  125   HG23  VAL 766          HG23      VAL 766   4.509 -31.541 -12.376
  126    H    THR 767           H        THR 767   2.647 -28.663 -14.411
  127    HA   THR 767           HA       THR 767   0.077 -28.206 -12.939
  128    HB   THR 767           HB       THR 767   0.602 -27.643 -15.872
  129    HG1  THR 767           HG1      THR 767   0.239 -25.513 -15.241
  130   HG21  THR 767          HG21      THR 767  -1.898 -27.225 -14.123
  131   HG22  THR 767          HG22      THR 767  -1.744 -28.434 -15.406
  132   HG23  THR 767          HG23      THR 767  -1.717 -26.723 -15.814
  133    H    CYS 768           H        CYS 768  -0.748 -30.174 -12.528
  134    HA   CYS 768           HA       CYS 768  -0.205 -32.503 -14.239
  135    HB2  CYS 768           HB2      CYS 768  -0.336 -32.699 -11.737
  136    HB3  CYS 768           HB3      CYS 768  -2.050 -32.275 -11.849
  137    H    LYS 769           H        LYS 769  -1.275 -32.913 -15.991
  138    HA   LYS 769           HA       LYS 769  -3.767 -31.492 -16.702
  139    HB2  LYS 769           HB2      LYS 769  -2.068 -33.471 -18.285
  140    HB3  LYS 769           HB3      LYS 769  -3.345 -32.457 -18.931
  141    HG2  LYS 769           HG2      LYS 769  -0.650 -31.537 -17.833
  142    HG3  LYS 769           HG3      LYS 769  -1.141 -31.579 -19.521
  143    HD2  LYS 769           HD2      LYS 769  -2.344 -29.769 -17.372
  144    HD3  LYS 769           HD3      LYS 769  -1.172 -29.309 -18.597
  145    HE2  LYS 769           HE2      LYS 769  -2.789 -29.904 -20.396
  146    HE3  LYS 769           HE3      LYS 769  -3.988 -30.326 -19.172
  147    HZ1  LYS 769           HZ1      LYS 769  -3.916 -28.015 -18.407
  148    HZ2  LYS 769           HZ2      LYS 769  -4.313 -28.065 -19.990
  149    HZ3  LYS 769           HZ3      LYS 769  -2.805 -27.628 -19.529
  150    H    THR 770           H        THR 770  -2.915 -34.548 -15.328
  151    HA   THR 770           HA       THR 770  -5.330 -35.969 -16.197
  152    HB   THR 770           HB       THR 770  -3.302 -36.643 -14.041
  153    HG1  THR 770           HG1      THR 770  -3.475 -37.450 -16.768
  154   HG21  THR 770          HG21      THR 770  -5.329 -38.395 -15.503
  155   HG22  THR 770          HG22      THR 770  -5.288 -38.025 -13.763
  156   HG23  THR 770          HG23      THR 770  -4.007 -38.994 -14.503
  157    H    CYS 771           H        CYS 771  -4.231 -34.362 -13.177
  158    HA   CYS 771           HA       CYS 771  -6.879 -34.834 -11.924
  159    HB2  CYS 771           HB2      CYS 771  -4.287 -33.625 -10.901
  160    HB3  CYS 771           HB3      CYS 771  -5.721 -33.905  -9.922
  161    H    LYS 772           H        LYS 772  -5.105 -32.189 -13.377
  162    HA   LYS 772           HA       LYS 772  -5.577 -30.052 -13.898
  163    HB2  LYS 772           HB2      LYS 772  -8.405 -30.441 -12.836
  164    HB3  LYS 772           HB3      LYS 772  -7.820 -29.145 -13.861
  165    HG2  LYS 772           HG2      LYS 772  -8.049 -32.082 -14.654
  166    HG3  LYS 772           HG3      LYS 772  -9.094 -30.746 -15.139
  167    HD2  LYS 772           HD2      LYS 772  -7.113 -29.647 -16.246
  168    HD3  LYS 772           HD3      LYS 772  -6.143 -31.068 -15.846
  169    HE2  LYS 772           HE2      LYS 772  -6.814 -31.324 -18.112
  170    HE3  LYS 772           HE3      LYS 772  -7.714 -32.496 -17.154
  171    HZ1  LYS 772           HZ1      LYS 772  -9.640 -30.982 -17.250
  172    HZ2  LYS 772           HZ2      LYS 772  -9.135 -31.367 -18.759
  173    HZ3  LYS 772           HZ3      LYS 772  -8.788 -29.907 -18.137
  174    H    TYR 773           H        TYR 773  -3.936 -29.980 -12.128
  175    HA   TYR 773           HA       TYR 773  -4.699 -27.656 -10.512
  176    HB2  TYR 773           HB2      TYR 773  -3.934 -28.390  -8.413
  177    HB3  TYR 773           HB3      TYR 773  -5.074 -29.586  -8.973
  178    HD1  TYR 773           HD2      TYR 773  -1.475 -28.873  -8.386
  179    HD2  TYR 773           HD1      TYR 773  -4.390 -31.894  -9.327
  180    HE1  TYR 773           HE2      TYR 773   0.238 -30.653  -7.979
  181    HE2  TYR 773           HE1      TYR 773  -2.724 -33.659  -8.809
  182    HH   TYR 773           HH       TYR 773  -0.485 -34.136  -8.290
  183    H    THR 774           H        THR 774  -2.968 -26.405  -9.743
  184    HA   THR 774           HA       THR 774  -0.328 -26.775 -11.107
  185    HB   THR 774           HB       THR 774  -1.587 -24.162 -10.178
  186    HG1  THR 774           HG1      THR 774  -2.014 -23.859 -12.371
  187   HG21  THR 774          HG21      THR 774   0.869 -24.045 -10.331
  188   HG22  THR 774          HG22      THR 774   0.154 -23.171 -11.688
  189   HG23  THR 774          HG23      THR 774   0.837 -24.786 -11.943
  190    H    HIS 775           H        HIS 775   1.485 -26.740  -9.849
  191    HA   HIS 775           HA       HIS 775   1.469 -25.806  -7.071
  192    HB2  HIS 775           HB2      HIS 775   0.745 -28.500  -7.559
  193    HB3  HIS 775           HB3      HIS 775   2.419 -28.589  -7.093
  194    HD1  HIS 775           HD1      HIS 775   2.814 -28.468  -4.464
  195    HD2  HIS 775           HD2      HIS 775  -0.972 -27.186  -5.775
  196    HE1  HIS 775           HE1      HIS 775   1.447 -28.016  -2.370
  197    H    PHE 776           H        PHE 776   3.664 -26.246  -6.035
  198    HA   PHE 776           HA       PHE 776   5.796 -25.397  -7.737
  199    HB2  PHE 776           HB2      PHE 776   6.257 -26.742  -5.076
  200    HB3  PHE 776           HB3      PHE 776   7.097 -25.385  -5.799
  201    HD1  PHE 776           HD1      PHE 776   5.705 -23.138  -6.045
  202    HD2  PHE 776           HD2      PHE 776   4.593 -26.404  -3.457
  203    HE1  PHE 776           HE1      PHE 776   4.153 -21.643  -4.800
  204    HE2  PHE 776           HE2      PHE 776   3.069 -24.900  -2.214
  205    HZ   PHE 776           HZ       PHE 776   2.828 -22.528  -2.896
  206    H    LYS 777           H        LYS 777   4.868 -28.595  -6.503
  207    HA   LYS 777           HA       LYS 777   6.446 -30.000  -8.529
  208    HB2  LYS 777           HB2      LYS 777   7.005 -30.352  -5.532
  209    HB3  LYS 777           HB3      LYS 777   7.415 -31.547  -6.738
  210    HG2  LYS 777           HG2      LYS 777   9.421 -30.545  -6.727
  211    HG3  LYS 777           HG3      LYS 777   8.663 -29.495  -7.901
  212    HD2  LYS 777           HD2      LYS 777   8.081 -27.953  -5.874
  213    HD3  LYS 777           HD3      LYS 777   9.109 -29.021  -4.925
  214    HE2  LYS 777           HE2      LYS 777  10.326 -27.025  -5.567
  215    HE3  LYS 777           HE3      LYS 777  11.043 -28.456  -6.331
  216    HZ1  LYS 777           HZ1      LYS 777  10.801 -26.536  -7.857
  217    HZ2  LYS 777           HZ2      LYS 777   9.173 -26.610  -7.722
  218    HZ3  LYS 777           HZ3      LYS 777   9.993 -27.848  -8.390
  219    HA   PRO 778           HA       PRO 778   2.836 -32.527  -8.220
  220    HB2  PRO 778           HB2      PRO 778   3.553 -34.844  -9.425
  221    HB3  PRO 778           HB3      PRO 778   3.491 -33.300 -10.317
  222    HG2  PRO 778           HG2      PRO 778   5.925 -34.636  -9.077
  223    HG3  PRO 778           HG3      PRO 778   5.752 -33.993 -10.742
  224    HD2  PRO 778           HD2      PRO 778   6.896 -32.561  -8.726
  225    HD3  PRO 778           HD3      PRO 778   5.904 -31.770  -9.976
  226    H    LYS 779           H        LYS 779   1.883 -34.464  -7.243
  227    HA   LYS 779           HA       LYS 779   3.074 -35.189  -4.685
  228    HB2  LYS 779           HB2      LYS 779   0.627 -36.205  -6.196
  229    HB3  LYS 779           HB3      LYS 779   1.080 -36.747  -4.571
  230    HG2  LYS 779           HG2      LYS 779   0.928 -34.451  -3.716
  231    HG3  LYS 779           HG3      LYS 779   0.468 -33.855  -5.325
  232    HD2  LYS 779           HD2      LYS 779  -1.111 -35.862  -3.655
  233    HD3  LYS 779           HD3      LYS 779  -1.469 -34.126  -3.793
  234    HE2  LYS 779           HE2      LYS 779  -1.811 -34.381  -6.244
  235    HE3  LYS 779           HE3      LYS 779  -1.463 -36.107  -6.121
  236    HZ1  LYS 779           HZ1      LYS 779  -3.406 -36.325  -4.673
  237    HZ2  LYS 779           HZ2      LYS 779  -3.833 -35.700  -6.115
  238    HZ3  LYS 779           HZ3      LYS 779  -3.723 -34.722  -4.809
  239    H    GLU 780           H        GLU 780   3.588 -37.298  -3.958
  240    HA   GLU 780           HA       GLU 780   5.299 -38.809  -5.691
  241    HB2  GLU 780           HB2      GLU 780   4.023 -39.570  -3.034
  242    HB3  GLU 780           HB3      GLU 780   5.281 -40.511  -3.851
  243    HG2  GLU 780           HG2      GLU 780   6.818 -38.548  -3.763
  244    HG3  GLU 780           HG3      GLU 780   5.598 -37.647  -2.854
  245    H    THR 781           H        THR 781   1.873 -39.246  -4.814
  246    HA   THR 781           HA       THR 781   1.433 -41.737  -6.187
  247    HB   THR 781           HB       THR 781  -0.982 -40.876  -6.219
  248    HG1  THR 781           HG1      THR 781  -1.332 -39.049  -4.915
  249   HG21  THR 781          HG21      THR 781  -1.263 -41.159  -3.796
  250   HG22  THR 781          HG22      THR 781   0.468 -40.897  -3.534
  251   HG23  THR 781          HG23      THR 781  -0.104 -42.334  -4.430
  252    H    CYS 782           H        CYS 782   1.147 -38.315  -7.297
  253    HA   CYS 782           HA       CYS 782   0.269 -38.913  -9.930
  254    HB2  CYS 782           HB2      CYS 782   1.786 -36.586  -8.686
  255    HB3  CYS 782           HB3      CYS 782   1.327 -36.604 -10.378
  256    H    VAL 783           H        VAL 783   3.548 -38.618  -8.600
  257    HA   VAL 783           HA       VAL 783   4.904 -39.079 -11.122
  258    HB   VAL 783           HB       VAL 783   5.914 -39.341  -8.259
  259   HG11  VAL 783          HG11      VAL 783   7.341 -40.747  -9.707
  260   HG12  VAL 783          HG12      VAL 783   7.497 -39.418 -10.885
  261   HG13  VAL 783          HG13      VAL 783   8.202 -39.266  -9.262
  262   HG21  VAL 783          HG21      VAL 783   7.014 -37.189  -8.738
  263   HG22  VAL 783          HG22      VAL 783   6.338 -37.189 -10.385
  264   HG23  VAL 783          HG23      VAL 783   5.276 -37.034  -8.976
  265    H    SER 784           H        SER 784   4.098 -41.371  -8.387
  266    HA   SER 784           HA       SER 784   5.233 -43.669  -9.621
  267    HB2  SER 784           HB2      SER 784   3.171 -43.162  -7.462
  268    HB3  SER 784           HB3      SER 784   3.636 -44.792  -7.948
  269    HG   SER 784           HG       SER 784   4.892 -44.019  -6.178
  270    H    GLU 785           H        GLU 785   1.887 -42.345  -9.800
  271    HA   GLU 785           HA       GLU 785   0.936 -44.546 -11.496
  272    HB2  GLU 785           HB2      GLU 785  -0.253 -41.849 -10.757
  273    HB3  GLU 785           HB3      GLU 785  -1.077 -43.057 -11.732
  274    HG2  GLU 785           HG2      GLU 785  -0.152 -43.518  -8.863
  275    HG3  GLU 785           HG3      GLU 785  -1.778 -43.048  -9.333
  276    H    ASN 786           H        ASN 786   2.922 -41.876 -12.088
  277    HA   ASN 786           HA       ASN 786   3.659 -40.766 -13.897
  278    HB2  ASN 786           HB2      ASN 786   2.882 -43.391 -15.242
  279    HB3  ASN 786           HB3      ASN 786   3.751 -42.095 -16.057
  280   HD21  ASN 786          HD21      ASN 786   4.023 -44.325 -13.236
  281   HD22  ASN 786          HD22      ASN 786   5.778 -44.270 -13.229
  282    H    HIS 787           H        HIS 787   1.474 -39.622 -13.160
  283    HA   HIS 787           HA       HIS 787  -0.574 -39.241 -15.155
  284    HB2  HIS 787           HB2      HIS 787   0.455 -37.529 -12.859
  285    HB3  HIS 787           HB3      HIS 787  -0.848 -37.023 -13.921
  286    HD2  HIS 787           HD2      HIS 787  -1.296 -40.666 -13.370
  287    HE1  HIS 787           HE1      HIS 787  -3.673 -38.885 -10.335
  288    HE2  HIS 787           HE2      HIS 787  -3.152 -41.042 -11.585
  289    H    ASP 788           H        ASP 788  -0.906 -37.303 -16.418
  290    HA   ASP 788           HA       ASP 788   1.527 -36.563 -17.933
  291    HB2  ASP 788           HB2      ASP 788  -0.628 -37.190 -19.062
  292    HB3  ASP 788           HB3      ASP 788  -1.393 -35.801 -18.327
  293    H    PHE 789           H        PHE 789   2.587 -34.633 -17.668
  294    HA   PHE 789           HA       PHE 789   1.175 -32.333 -16.559
  295    HB2  PHE 789           HB2      PHE 789   3.456 -32.105 -15.054
  296    HB3  PHE 789           HB3      PHE 789   1.884 -32.529 -14.472
  297    HD1  PHE 789           HD2      PHE 789   5.117 -34.007 -15.639
  298    HD2  PHE 789           HD1      PHE 789   1.521 -34.527 -13.328
  299    HE1  PHE 789           HE2      PHE 789   6.089 -36.049 -14.551
  300    HE2  PHE 789           HE1      PHE 789   2.490 -36.525 -12.253
  301    HZ   PHE 789           HZ       PHE 789   4.774 -37.305 -12.871
  302    H    HIS 790           H        HIS 790   2.115 -30.366 -16.802
  303    HA   HIS 790           HA       HIS 790   4.461 -30.168 -18.676
  304    HB2  HIS 790           HB2      HIS 790   2.163 -28.222 -18.223
  305    HB3  HIS 790           HB3      HIS 790   3.535 -27.955 -19.278
  306    HD1  HIS 790           HD1      HIS 790   0.560 -27.929 -20.383
  307    HD2  HIS 790           HD2      HIS 790   3.275 -31.128 -20.530
  308    HE1  HIS 790           HE1      HIS 790  -0.176 -29.407 -22.332
  309    H    TRP 791           H        TRP 791   6.143 -28.866 -18.044
  310    HA   TRP 791           HA       TRP 791   6.043 -27.603 -15.326
  311    HB2  TRP 791           HB2      TRP 791   8.325 -28.937 -16.823
  312    HB3  TRP 791           HB3      TRP 791   8.531 -27.927 -15.401
  313    HD1  TRP 791           HD1      TRP 791   7.084 -31.339 -16.392
  314    HE1  TRP 791           HE1      TRP 791   7.130 -32.874 -14.338
  315    HE3  TRP 791           HE3      TRP 791   8.410 -27.903 -12.834
  316    HZ2  TRP 791           HZ2      TRP 791   7.827 -32.677 -11.545
  317    HZ3  TRP 791           HZ3      TRP 791   8.759 -28.602 -10.486
  318    HH2  TRP 791           HH2      TRP 791   8.529 -30.986  -9.834
  319    H    HIS 792           H        HIS 792   6.891 -25.571 -15.068
  320    HA   HIS 792           HA       HIS 792   8.368 -24.117 -17.113
  321    HB2  HIS 792           HB2      HIS 792   6.694 -22.436 -17.599
  322    HB3  HIS 792           HB3      HIS 792   6.046 -24.000 -18.040
  323    HD1  HIS 792           HD1      HIS 792   5.150 -20.987 -16.126
  324    HD2  HIS 792           HD2      HIS 792   4.232 -25.097 -16.019
  325    HE1  HIS 792           HE1      HIS 792   2.938 -21.192 -14.880
  326    H    ASN 793           H        ASN 793   8.628 -21.707 -16.367
  327    HA   ASN 793           HA       ASN 793   9.115 -21.698 -13.455
  328    HB2  ASN 793           HB2      ASN 793  10.744 -20.744 -15.160
  329    HB3  ASN 793           HB3      ASN 793   9.587 -19.429 -15.403
  330   HD21  ASN 793          HD21      ASN 793  11.820 -20.908 -13.069
  331   HD22  ASN 793          HD22      ASN 793  11.870 -19.499 -12.027
  332    H    GLY 794           H        GLY 794   8.082 -20.513 -11.956
  333    HA2  GLY 794           HA2      GLY 794   5.912 -18.581 -12.617
  334    HA3  GLY 794           HA3      GLY 794   5.565 -19.963 -11.557
  335    H    VAL 795           H        VAL 795   5.048 -18.026 -10.148
  336    HA   VAL 795           HA       VAL 795   7.249 -17.630  -8.249
  337    HB   VAL 795           HB       VAL 795   7.640 -15.693  -9.596
  338   HG11  VAL 795          HG11      VAL 795   4.716 -14.948  -9.278
  339   HG12  VAL 795          HG12      VAL 795   5.978 -13.943 -10.026
  340   HG13  VAL 795          HG13      VAL 795   5.500 -15.476 -10.779
  341   HG21  VAL 795          HG21      VAL 795   6.071 -14.695  -7.190
  342   HG22  VAL 795          HG22      VAL 795   7.707 -15.381  -7.094
  343   HG23  VAL 795          HG23      VAL 795   7.422 -13.893  -8.013
  344    H    LYS 796           H        LYS 796   6.637 -17.420  -6.210
  345    HA   LYS 796           HA       LYS 796   3.828 -18.232  -5.690
  346    HB2  LYS 796           HB2      LYS 796   4.762 -19.548  -3.885
  347    HB3  LYS 796           HB3      LYS 796   5.614 -19.858  -5.400
  348    HG2  LYS 796           HG2      LYS 796   7.336 -18.051  -4.493
  349    HG3  LYS 796           HG3      LYS 796   6.588 -18.404  -2.939
  350    HD2  LYS 796           HD2      LYS 796   7.888 -20.437  -4.804
  351    HD3  LYS 796           HD3      LYS 796   8.655 -19.718  -3.383
  352    HE2  LYS 796           HE2      LYS 796   6.959 -20.707  -1.910
  353    HE3  LYS 796           HE3      LYS 796   6.127 -21.416  -3.291
  354    HZ1  LYS 796           HZ1      LYS 796   8.128 -22.720  -3.749
  355    HZ2  LYS 796           HZ2      LYS 796   7.568 -23.034  -2.248
  356    HZ3  LYS 796           HZ3      LYS 796   8.885 -22.083  -2.447
  357    H    ARG 797           H        ARG 797   2.701 -17.724  -3.880
  358    HA   ARG 797           HA       ARG 797   3.289 -15.128  -2.519
  359    HB2  ARG 797           HB2      ARG 797   0.589 -16.322  -3.279
  360    HB3  ARG 797           HB3      ARG 797   0.847 -14.755  -2.535
  361    HG2  ARG 797           HG2      ARG 797   1.662 -15.571  -5.360
  362    HG3  ARG 797           HG3      ARG 797   0.286 -14.556  -4.913
  363    HD2  ARG 797           HD2      ARG 797   1.750 -12.814  -4.049
  364    HD3  ARG 797           HD3      ARG 797   3.182 -13.832  -4.327
  365    HE   ARG 797           HE       ARG 797   1.786 -13.542  -6.782
  366   HH11  ARG 797          HH11      ARG 797   3.692 -11.590  -4.558
  367   HH12  ARG 797          HH12      ARG 797   4.468 -10.683  -5.826
  368   HH21  ARG 797          HH21      ARG 797   2.739 -12.248  -8.414
  369   HH22  ARG 797          HH22      ARG 797   3.866 -10.997  -7.958
  370    H    PHE 798           H        PHE 798   2.692 -14.986  -0.334
  371    HA   PHE 798           HA       PHE 798   2.501 -17.624   1.073
  372    HB2  PHE 798           HB2      PHE 798   3.977 -15.095   1.884
  373    HB3  PHE 798           HB3      PHE 798   3.974 -16.626   2.742
  374    HD1  PHE 798           HD2      PHE 798   5.152 -14.899  -0.336
  375    HD2  PHE 798           HD1      PHE 798   5.381 -18.482   2.066
  376    HE1  PHE 798           HE2      PHE 798   7.066 -15.702  -1.680
  377    HE2  PHE 798           HE1      PHE 798   7.335 -19.236   0.734
  378    HZ   PHE 798           HZ       PHE 798   8.194 -17.834  -1.124
  379    H    PHE 799           H        PHE 799   1.122 -17.909   2.699
  380    HA   PHE 799           HA       PHE 799  -0.585 -15.635   3.610
  381    HB2  PHE 799           HB2      PHE 799  -1.500 -18.373   2.720
  382    HB3  PHE 799           HB3      PHE 799  -2.529 -17.061   3.265
  383    HD1  PHE 799           HD1      PHE 799  -0.474 -18.370   0.487
  384    HD2  PHE 799           HD2      PHE 799  -3.033 -15.156   1.794
  385    HE1  PHE 799           HE1      PHE 799  -0.674 -17.584  -1.858
  386    HE2  PHE 799           HE2      PHE 799  -3.252 -14.383  -0.552
  387    HZ   PHE 799           HZ       PHE 799  -2.046 -15.574  -2.380
  388    H    LYS 800           H        LYS 800  -1.788 -15.947   5.505
  389    HA   LYS 800           HA       LYS 800  -0.969 -18.127   7.376
  390    HB2  LYS 800           HB2      LYS 800   0.491 -16.217   7.755
  391    HB3  LYS 800           HB3      LYS 800  -0.892 -15.119   7.870
  392    HG2  LYS 800           HG2      LYS 800  -1.634 -16.191   9.936
  393    HG3  LYS 800           HG3      LYS 800  -0.346 -17.413   9.803
  394    HD2  LYS 800           HD2      LYS 800   1.359 -15.613   9.997
  395    HD3  LYS 800           HD3      LYS 800   0.066 -14.408  10.136
  396    HE2  LYS 800           HE2      LYS 800  -0.797 -15.586  12.171
  397    HE3  LYS 800           HE3      LYS 800   0.534 -16.742  12.041
  398    HZ1  LYS 800           HZ1      LYS 800   0.861 -13.820  12.476
  399    HZ2  LYS 800           HZ2      LYS 800   2.086 -14.902  12.367
  400    HZ3  LYS 800           HZ3      LYS 800   1.043 -14.977  13.617
  401    H    CYS 801           H        CYS 801  -2.408 -18.678   8.913
  402    HA   CYS 801           HA       CYS 801  -5.249 -17.816   8.644
  403    HB2  CYS 801           HB2      CYS 801  -4.631 -20.209   8.271
  404    HB3  CYS 801           HB3      CYS 801  -3.898 -20.261   9.873
  405    HA   PRO 802           HA       PRO 802  -4.972 -15.738  12.592
  406    HB2  PRO 802           HB2      PRO 802  -7.492 -16.314  13.713
  407    HB3  PRO 802           HB3      PRO 802  -7.092 -15.012  12.560
  408    HG2  PRO 802           HG2      PRO 802  -8.188 -17.774  11.967
  409    HG3  PRO 802           HG3      PRO 802  -8.732 -16.194  11.292
  410    HD2  PRO 802           HD2      PRO 802  -7.117 -17.735   9.851
  411    HD3  PRO 802           HD3      PRO 802  -6.761 -15.991   9.966
  412    H    CYS 803           H        CYS 803  -5.588 -19.253  12.681
  413    HA   CYS 803           HA       CYS 803  -5.055 -19.456  15.546
  414    HB2  CYS 803           HB2      CYS 803  -5.165 -21.809  15.247
  415    HB3  CYS 803           HB3      CYS 803  -6.476 -21.088  14.315
  416    H    GLY 804           H        GLY 804  -3.040 -18.842  12.907
  417    HA2  GLY 804           HA2      GLY 804  -0.729 -18.315  13.194
  418    HA3  GLY 804           HA3      GLY 804  -0.546 -19.626  14.377
  419    H    ASN 805           H        ASN 805  -2.330 -21.125  12.089
  420    HA   ASN 805           HA       ASN 805  -0.131 -22.531  10.911
  421    HB2  ASN 805           HB2      ASN 805  -2.455 -23.386  11.322
  422    HB3  ASN 805           HB3      ASN 805  -3.000 -22.433   9.940
  423   HD21  ASN 805          HD21      ASN 805  -3.734 -24.509   9.021
  424   HD22  ASN 805          HD22      ASN 805  -2.541 -25.629   8.354
  425    H    ARG 806           H        ARG 806   0.376 -22.724   8.609
  426    HA   ARG 806           HA       ARG 806   0.239 -20.136   7.102
  427    HB2  ARG 806           HB2      ARG 806   2.594 -22.026   7.503
  428    HB3  ARG 806           HB3      ARG 806   2.602 -20.668   6.395
  429    HG2  ARG 806           HG2      ARG 806   2.295 -20.482   9.429
  430    HG3  ARG 806           HG3      ARG 806   3.774 -20.168   8.522
  431    HD2  ARG 806           HD2      ARG 806   1.207 -18.558   8.493
  432    HD3  ARG 806           HD3      ARG 806   2.763 -18.056   9.130
  433    HE   ARG 806           HE       ARG 806   1.903 -18.210   6.301
  434   HH11  ARG 806          HH11      ARG 806   4.637 -17.378   8.442
  435   HH12  ARG 806          HH12      ARG 806   5.466 -16.553   7.135
  436   HH21  ARG 806          HH21      ARG 806   3.083 -17.237   4.740
  437   HH22  ARG 806          HH22      ARG 806   4.539 -16.369   5.130
  438    H    THR 807           H        THR 807   0.522 -20.280   4.826
  439    HA   THR 807           HA       THR 807   0.810 -22.812   3.462
  440    HB   THR 807           HB       THR 807  -1.662 -22.795   4.002
  441    HG1  THR 807           HG1      THR 807  -2.080 -23.225   1.661
  442   HG21  THR 807          HG21      THR 807  -2.115 -20.391   3.516
  443   HG22  THR 807          HG22      THR 807  -3.145 -21.510   2.612
  444   HG23  THR 807          HG23      THR 807  -1.790 -20.700   1.801
  445    H    ILE 808           H        ILE 808   0.570 -22.446   1.052
  446    HA   ILE 808           HA       ILE 808   1.680 -19.863   0.116
  447    HB   ILE 808           HB       ILE 808   3.203 -22.445  -0.404
  448   HG12  ILE 808          HG12      ILE 808   3.893 -20.422   1.774
  449   HG13  ILE 808          HG13      ILE 808   3.363 -22.085   2.037
  450   HG21  ILE 808          HG21      ILE 808   4.959 -20.962  -1.192
  451   HG22  ILE 808          HG22      ILE 808   3.480 -20.459  -1.967
  452   HG23  ILE 808          HG23      ILE 808   4.102 -19.529  -0.594
  453   HD11  ILE 808          HD11      ILE 808   5.389 -22.925   0.838
  454   HD12  ILE 808          HD12      ILE 808   5.987 -21.241   0.802
  455   HD13  ILE 808          HD13      ILE 808   5.704 -22.049   2.349
  456    H    SER 809           H        SER 809   1.289 -19.543  -2.113
  457    HA   SER 809           HA       SER 809   0.370 -21.755  -3.831
  458    HB2  SER 809           HB2      SER 809  -1.680 -21.142  -2.473
  459    HB3  SER 809           HB3      SER 809  -1.578 -19.505  -3.146
  460    HG   SER 809           HG       SER 809  -3.018 -20.919  -4.317
  461    H    LEU 810           H        LEU 810  -0.354 -20.957  -5.941
  462    HA   LEU 810           HA       LEU 810   1.562 -18.915  -6.966
  463    HB2  LEU 810           HB2      LEU 810   0.003 -21.140  -8.371
  464    HB3  LEU 810           HB3      LEU 810   1.177 -20.072  -9.119
  465    HG   LEU 810           HG       LEU 810   2.233 -22.116  -8.857
  466   HD11  LEU 810          HD11      LEU 810   3.288 -20.397  -6.590
  467   HD12  LEU 810          HD12      LEU 810   3.648 -20.169  -8.313
  468   HD13  LEU 810          HD13      LEU 810   4.189 -21.633  -7.479
  469   HD21  LEU 810          HD21      LEU 810   1.740 -22.321  -5.895
  470   HD22  LEU 810          HD22      LEU 810   2.505 -23.485  -6.979
  471   HD23  LEU 810          HD23      LEU 810   0.776 -23.148  -7.144
  472    H    ASP 811           H        ASP 811  -1.695 -19.199  -6.146
  473    HA   ASP 811           HA       ASP 811  -2.638 -17.158  -8.109
  474    HB2  ASP 811           HB2      ASP 811  -3.926 -19.325  -7.680
  475    HB3  ASP 811           HB3      ASP 811  -4.260 -18.700  -6.060
  476    H    ARG 812           H        ARG 812  -4.161 -15.500  -7.078
  477    HA   ARG 812           HA       ARG 812  -2.702 -13.979  -5.125
  478    HB2  ARG 812           HB2      ARG 812  -4.597 -12.358  -5.320
  479    HB3  ARG 812           HB3      ARG 812  -3.733 -12.755  -6.786
  480    HG2  ARG 812           HG2      ARG 812  -6.058 -12.519  -7.282
  481    HG3  ARG 812           HG3      ARG 812  -5.559 -14.166  -7.580
  482    HD2  ARG 812           HD2      ARG 812  -7.773 -14.119  -6.642
  483    HD3  ARG 812           HD3      ARG 812  -6.684 -14.907  -5.502
  484    HE   ARG 812           HE       ARG 812  -6.756 -12.187  -4.779
  485   HH11  ARG 812          HH11      ARG 812  -9.133 -14.789  -4.971
  486   HH12  ARG 812          HH12      ARG 812 -10.144 -14.091  -3.744
  487   HH21  ARG 812          HH21      ARG 812  -8.076 -11.356  -3.164
  488   HH22  ARG 812          HH22      ARG 812  -9.544 -12.174  -2.730
  489    H    LEU 813           H        LEU 813  -4.929 -16.468  -4.638
  490    HA   LEU 813           HA       LEU 813  -4.790 -16.126  -1.744
  491    HB2  LEU 813           HB2      LEU 813  -6.841 -14.811  -2.555
  492    HB3  LEU 813           HB3      LEU 813  -7.506 -16.344  -3.099
  493    HG   LEU 813           HG       LEU 813  -7.364 -17.128  -0.661
  494   HD11  LEU 813          HD11      LEU 813  -5.708 -15.400   0.153
  495   HD12  LEU 813          HD12      LEU 813  -7.213 -15.390   1.082
  496   HD13  LEU 813          HD13      LEU 813  -6.912 -14.139  -0.145
  497   HD21  LEU 813          HD21      LEU 813  -9.093 -14.702  -1.274
  498   HD22  LEU 813          HD22      LEU 813  -9.377 -15.897   0.009
  499   HD23  LEU 813          HD23      LEU 813  -9.467 -16.396  -1.688
  500    HA   PRO 814           HA       PRO 814  -4.264 -20.465  -2.525
  501    HB2  PRO 814           HB2      PRO 814  -4.419 -21.585  -0.035
  502    HB3  PRO 814           HB3      PRO 814  -3.059 -20.534  -0.560
  503    HG2  PRO 814           HG2      PRO 814  -5.547 -19.724   0.969
  504    HG3  PRO 814           HG3      PRO 814  -3.845 -19.367   1.403
  505    HD2  PRO 814           HD2      PRO 814  -5.304 -17.546   0.117
  506    HD3  PRO 814           HD3      PRO 814  -3.622 -17.838  -0.394
  507    H    LYS 815           H        LYS 815  -5.331 -22.426  -2.754
  508    HA   LYS 815           HA       LYS 815  -8.194 -22.110  -3.052
  509    HB2  LYS 815           HB2      LYS 815  -8.071 -23.939  -4.517
  510    HB3  LYS 815           HB3      LYS 815  -6.620 -23.000  -4.806
  511    HG2  LYS 815           HG2      LYS 815  -6.762 -25.604  -3.205
  512    HG3  LYS 815           HG3      LYS 815  -6.261 -25.443  -4.876
  513    HD2  LYS 815           HD2      LYS 815  -4.327 -24.055  -4.176
  514    HD3  LYS 815           HD3      LYS 815  -4.786 -24.270  -2.468
  515    HE2  LYS 815           HE2      LYS 815  -4.568 -26.691  -2.656
  516    HE3  LYS 815           HE3      LYS 815  -4.190 -26.566  -4.377
  517    HZ1  LYS 815           HZ1      LYS 815  -2.507 -25.477  -2.187
  518    HZ2  LYS 815           HZ2      LYS 815  -2.192 -25.298  -3.784
  519    HZ3  LYS 815           HZ3      LYS 815  -2.148 -26.776  -3.112
  520    H    LYS 816           H        LYS 816  -6.313 -23.725  -0.644
  521    HA   LYS 816           HA       LYS 816  -8.520 -25.649  -0.053
  522    HB2  LYS 816           HB2      LYS 816  -6.834 -27.186   0.773
  523    HB3  LYS 816           HB3      LYS 816  -6.597 -26.714  -0.892
  524    HG2  LYS 816           HG2      LYS 816  -4.470 -26.847  -0.024
  525    HG3  LYS 816           HG3      LYS 816  -4.761 -25.118  -0.097
  526    HD2  LYS 816           HD2      LYS 816  -5.082 -25.008   2.310
  527    HD3  LYS 816           HD3      LYS 816  -5.127 -26.789   2.426
  528    HE2  LYS 816           HE2      LYS 816  -2.794 -26.912   1.668
  529    HE3  LYS 816           HE3      LYS 816  -2.724 -25.158   1.480
  530    HZ1  LYS 816           HZ1      LYS 816  -3.125 -24.982   3.889
  531    HZ2  LYS 816           HZ2      LYS 816  -1.761 -25.836   3.572
  532    HZ3  LYS 816           HZ3      LYS 816  -3.121 -26.617   4.035
  533    H    HIS 817           H        HIS 817  -8.763 -26.440   2.160
  534    HA   HIS 817           HA       HIS 817  -9.134 -24.196   4.014
  535    HB2  HIS 817           HB2      HIS 817  -9.727 -27.178   4.211
  536    HB3  HIS 817           HB3      HIS 817 -10.157 -25.993   5.430
  537    HD1  HIS 817           HD1      HIS 817 -11.321 -27.152   1.973
  538    HD2  HIS 817           HD2      HIS 817 -12.188 -24.311   4.937
  539    HE1  HIS 817           HE1      HIS 817 -13.573 -26.159   1.356
  540    H    CYS 818           H        CYS 818  -8.507 -24.329   6.312
  541    HA   CYS 818           HA       CYS 818  -5.719 -24.648   6.712
  542    HB2  CYS 818           HB2      CYS 818  -7.171 -23.087   7.908
  543    HB3  CYS 818           HB3      CYS 818  -8.028 -24.423   8.676
  544    H    SER 819           H        SER 819  -4.470 -26.266   7.402
  545    HA   SER 819           HA       SER 819  -5.530 -28.975   7.776
  546    HB2  SER 819           HB2      SER 819  -3.057 -29.479   8.011
  547    HB3  SER 819           HB3      SER 819  -3.566 -28.777   6.468
  548    HG   SER 819           HG       SER 819  -1.633 -27.816   7.354
  549    H    THR 820           H        THR 820  -5.096 -26.348   9.881
  550    HA   THR 820           HA       THR 820  -4.458 -28.071  12.250
  551    HB   THR 820           HB       THR 820  -4.207 -25.073  11.842
  552    HG1  THR 820           HG1      THR 820  -2.652 -26.501  10.858
  553   HG21  THR 820          HG21      THR 820  -3.495 -26.788  14.268
  554   HG22  THR 820          HG22      THR 820  -4.721 -25.493  14.209
  555   HG23  THR 820          HG23      THR 820  -3.012 -25.097  14.020
  556    H    CYS 821           H        CYS 821  -6.842 -25.608  11.125
  557    HA   CYS 821           HA       CYS 821  -8.646 -26.579  13.304
  558    HB2  CYS 821           HB2      CYS 821  -9.407 -24.403  13.722
  559    HB3  CYS 821           HB3      CYS 821  -7.654 -24.401  13.872
  560    H    GLY 822           H        GLY 822  -8.461 -26.083   9.939
  561    HA2  GLY 822           HA2      GLY 822  -9.825 -27.288   8.475
  562    HA3  GLY 822           HA3      GLY 822 -11.077 -27.407   9.721
  563    H    LEU 823           H        LEU 823 -10.549 -24.175   9.672
  564    HA   LEU 823           HA       LEU 823 -12.768 -23.723   7.761
  565    HB2  LEU 823           HB2      LEU 823 -12.921 -21.499   8.805
  566    HB3  LEU 823           HB3      LEU 823 -13.088 -22.837   9.915
  567    HG   LEU 823           HG       LEU 823 -10.952 -22.465  10.897
  568   HD11  LEU 823          HD11      LEU 823  -9.516 -21.715   9.057
  569   HD12  LEU 823          HD12      LEU 823  -9.550 -20.434  10.280
  570   HD13  LEU 823          HD13      LEU 823 -10.518 -20.277   8.808
  571   HD21  LEU 823          HD21      LEU 823 -11.332 -20.224  11.864
  572   HD22  LEU 823          HD22      LEU 823 -12.842 -21.140  11.709
  573   HD23  LEU 823          HD23      LEU 823 -12.469 -19.850  10.546
  574    H    PHE 824           H        PHE 824 -12.445 -21.195   6.911
  575    HA   PHE 824           HA       PHE 824  -9.912 -21.066   5.340
  576    HB2  PHE 824           HB2      PHE 824 -11.815 -22.096   4.031
  577    HB3  PHE 824           HB3      PHE 824 -12.710 -20.605   4.212
  578    HD1  PHE 824           HD2      PHE 824 -11.930 -18.523   3.048
  579    HD2  PHE 824           HD1      PHE 824  -9.960 -22.325   2.506
  580    HE1  PHE 824           HE2      PHE 824 -10.839 -17.669   0.991
  581    HE2  PHE 824           HE1      PHE 824  -8.869 -21.473   0.456
  582    HZ   PHE 824           HZ       PHE 824  -9.308 -19.131  -0.308
  583    H    LYS 825           H        LYS 825  -9.029 -19.385   6.399
  584    HA   LYS 825           HA       LYS 825 -10.292 -16.710   6.307
  585    HB2  LYS 825           HB2      LYS 825  -9.318 -18.088   8.853
  586    HB3  LYS 825           HB3      LYS 825  -9.593 -16.357   8.750
  587    HG2  LYS 825           HG2      LYS 825 -11.768 -18.431   8.354
  588    HG3  LYS 825           HG3      LYS 825 -11.435 -17.565   9.838
  589    HD2  LYS 825           HD2      LYS 825 -11.935 -15.417   8.792
  590    HD3  LYS 825           HD3      LYS 825 -12.193 -16.184   7.220
  591    HE2  LYS 825           HE2      LYS 825 -13.844 -16.811   9.710
  592    HE3  LYS 825           HE3      LYS 825 -14.294 -15.605   8.500
  593    HZ1  LYS 825           HZ1      LYS 825 -14.305 -17.364   6.827
  594    HZ2  LYS 825           HZ2      LYS 825 -15.352 -17.715   8.035
  595    HZ3  LYS 825           HZ3      LYS 825 -13.916 -18.489   7.945
  596    H    TRP 826           H        TRP 826  -8.151 -17.918   4.802
  597    HA   TRP 826           HA       TRP 826  -5.583 -17.209   5.734
  598    HB2  TRP 826           HB2      TRP 826  -6.605 -17.462   2.886
  599    HB3  TRP 826           HB3      TRP 826  -4.916 -17.457   3.368
  600    HD1  TRP 826           HD1      TRP 826  -7.600 -19.773   2.609
  601    HE1  TRP 826           HE1      TRP 826  -6.946 -22.183   3.194
  602    HE3  TRP 826           HE3      TRP 826  -3.578 -18.794   5.604
  603    HZ2  TRP 826           HZ2      TRP 826  -5.035 -23.504   4.910
  604    HZ3  TRP 826           HZ3      TRP 826  -2.379 -20.641   6.745
  605    HH2  TRP 826           HH2      TRP 826  -3.102 -23.001   6.420
  606    H    GLU 827           H        GLU 827  -4.351 -15.437   5.660
  607    HA   GLU 827           HA       GLU 827  -5.219 -12.981   4.179
  608    HB2  GLU 827           HB2      GLU 827  -5.473 -12.786   6.647
  609    HB3  GLU 827           HB3      GLU 827  -3.806 -13.260   6.876
  610    HG2  GLU 827           HG2      GLU 827  -3.940 -10.879   7.123
  611    HG3  GLU 827           HG3      GLU 827  -3.078 -11.198   5.639
  612    H    ARG 828           H        ARG 828  -3.615 -11.998   2.963
  613    HA   ARG 828           HA       ARG 828  -1.208 -13.420   2.238
  614    HB2  ARG 828           HB2      ARG 828  -2.511 -11.856   0.740
  615    HB3  ARG 828           HB3      ARG 828  -1.999 -10.518   1.763
  616    HG2  ARG 828           HG2      ARG 828  -0.522 -10.424  -0.041
  617    HG3  ARG 828           HG3      ARG 828   0.433 -11.203   1.213
  618    HD2  ARG 828           HD2      ARG 828   0.865 -12.409  -0.797
  619    HD3  ARG 828           HD3      ARG 828  -0.184 -13.449   0.162
  620    HE   ARG 828           HE       ARG 828  -1.874 -13.210  -1.416
  621   HH11  ARG 828          HH11      ARG 828   0.587 -10.771  -2.207
  622   HH12  ARG 828          HH12      ARG 828  -0.264 -10.278  -3.635
  623   HH21  ARG 828          HH21      ARG 828  -2.934 -12.445  -3.195
  624   HH22  ARG 828          HH22      ARG 828  -2.206 -11.214  -4.204
  625    H    VAL 829           H        VAL 829   0.784 -13.299   3.095
  626    HA   VAL 829           HA       VAL 829   1.594 -11.037   4.866
  627    HB   VAL 829           HB       VAL 829   2.523 -12.588   6.560
  628   HG11  VAL 829          HG11      VAL 829  -0.487 -12.902   6.308
  629   HG12  VAL 829          HG12      VAL 829   0.496 -13.050   7.778
  630   HG13  VAL 829          HG13      VAL 829   0.356 -11.480   6.971
  631   HG21  VAL 829          HG21      VAL 829   2.570 -14.631   5.051
  632   HG22  VAL 829          HG22      VAL 829   1.973 -14.895   6.688
  633   HG23  VAL 829          HG23      VAL 829   0.832 -14.779   5.328
  634    H    GLY 830           H        GLY 830   4.042 -11.801   5.666
  635    HA2  GLY 830           HA2      GLY 830   5.693 -11.937   3.239
  636    HA3  GLY 830           HA3      GLY 830   6.252 -11.784   4.915
  637    H    MET 831           H        MET 831   7.901 -13.211   4.177
  638    HA   MET 831           HA       MET 831   7.332 -15.866   3.212
  639    HB2  MET 831           HB2      MET 831   9.487 -14.180   3.083
  640    HB3  MET 831           HB3      MET 831  10.027 -15.249   4.366
  641    HG2  MET 831           HG2      MET 831   9.440 -17.203   2.749
  642    HG3  MET 831           HG3      MET 831   9.132 -15.970   1.540
  643    HE1  MET 831           HE1      MET 831  11.731 -18.068   3.482
  644    HE2  MET 831           HE2      MET 831  13.243 -17.176   3.283
  645    HE3  MET 831           HE3      MET 831  11.978 -16.522   4.332
  646    H    LEU 832           H        LEU 832   9.059 -17.567   4.502
  647    HA   LEU 832           HA       LEU 832   7.463 -18.318   6.863
  648    HB2  LEU 832           HB2      LEU 832   9.758 -19.734   5.437
  649    HB3  LEU 832           HB3      LEU 832   8.784 -20.391   6.743
  650    HG   LEU 832           HG       LEU 832   7.969 -21.424   4.848
  651   HD11  LEU 832          HD11      LEU 832   6.134 -20.502   6.277
  652   HD12  LEU 832          HD12      LEU 832   5.648 -20.737   4.587
  653   HD13  LEU 832          HD13      LEU 832   6.018 -19.104   5.181
  654   HD21  LEU 832          HD21      LEU 832   7.634 -18.814   3.331
  655   HD22  LEU 832          HD22      LEU 832   7.453 -20.466   2.732
  656   HD23  LEU 832          HD23      LEU 832   9.061 -19.872   3.185
  657    H    LYS 833           H        LYS 833   8.154 -18.433   8.915
  658    HA   LYS 833           HA       LYS 833  10.752 -17.121   9.602
  659    HB2  LYS 833           HB2      LYS 833   8.209 -17.500  11.237
  660    HB3  LYS 833           HB3      LYS 833   9.683 -16.754  11.835
  661    HG2  LYS 833           HG2      LYS 833   7.961 -15.717   9.539
  662    HG3  LYS 833           HG3      LYS 833   7.976 -15.088  11.182
  663    HD2  LYS 833           HD2      LYS 833  10.295 -14.960   9.216
  664    HD3  LYS 833           HD3      LYS 833   9.210 -13.642   9.653
  665    HE2  LYS 833           HE2      LYS 833   9.985 -13.798  12.022
  666    HE3  LYS 833           HE3      LYS 833  11.106 -15.097  11.566
  667    HZ1  LYS 833           HZ1      LYS 833  12.216 -13.518  10.095
  668    HZ2  LYS 833           HZ2      LYS 833  12.210 -12.958  11.630
  669    HZ3  LYS 833           HZ3      LYS 833  11.190 -12.324  10.520
  670    H    GLU 834           H        GLU 834  12.302 -18.240  10.330
  671    HA   GLU 834           HA       GLU 834  11.986 -20.701  11.958
  672    HB2  GLU 834           HB2      GLU 834  13.648 -20.557   9.401
  673    HB3  GLU 834           HB3      GLU 834  13.730 -21.848  10.605
  674    HG2  GLU 834           HG2      GLU 834  11.331 -22.375  10.185
  675    HG3  GLU 834           HG3      GLU 834  11.299 -21.169   8.896
  676    H    LYS 835           H        LYS 835  13.732 -21.058  13.362
  677    HA   LYS 835           HA       LYS 835  15.377 -18.798  14.029
  678    HB2  LYS 835           HB2      LYS 835  16.227 -20.250  15.791
  679    HB3  LYS 835           HB3      LYS 835  14.469 -20.300  15.691
  680    HG2  LYS 835           HG2      LYS 835  14.665 -22.493  14.397
  681    HG3  LYS 835           HG3      LYS 835  16.413 -22.445  14.730
  682    HD2  LYS 835           HD2      LYS 835  15.904 -22.357  17.170
  683    HD3  LYS 835           HD3      LYS 835  14.178 -22.475  16.798
  684    HE2  LYS 835           HE2      LYS 835  14.565 -24.645  15.646
  685    HE3  LYS 835           HE3      LYS 835  16.290 -24.544  16.052
  686    HZ1  LYS 835           HZ1      LYS 835  15.667 -24.590  18.403
  687    HZ2  LYS 835           HZ2      LYS 835  15.088 -25.914  17.650
  688    HZ3  LYS 835           HZ3      LYS 835  14.079 -24.685  18.033
  689    H    THR 836           H        THR 836  17.512 -18.426  13.785
  690    HA   THR 836           HA       THR 836  19.495 -20.095  12.583
  691    HB   THR 836           HB       THR 836  18.021 -19.685  10.581
  692    HG1  THR 836           HG1      THR 836  20.068 -20.212  10.169
  693   HG21  THR 836          HG21      THR 836  17.376 -17.329  11.055
  694   HG22  THR 836          HG22      THR 836  18.078 -17.563   9.445
  695   HG23  THR 836          HG23      THR 836  19.055 -16.827  10.740
  696    H    GLY 837           H        GLY 837  21.373 -18.560  11.777
  697    HA2  GLY 837           HA2      GLY 837  22.130 -16.952  14.130
  698    HA3  GLY 837           HA3      GLY 837  23.151 -17.428  12.765
  699    HA   PRO 838           HA       PRO 838  22.164 -12.889  12.376
  700    HB2  PRO 838           HB2      PRO 838  24.711 -11.902  12.318
  701    HB3  PRO 838           HB3      PRO 838  23.872 -12.330  13.836
  702    HG2  PRO 838           HG2      PRO 838  25.827 -14.025  12.246
  703    HG3  PRO 838           HG3      PRO 838  25.863 -13.648  13.998
  704    HD2  PRO 838           HD2      PRO 838  24.789 -15.958  13.050
  705    HD3  PRO 838           HD3      PRO 838  24.061 -15.107  14.438
  706    H    LYS 839           H        LYS 839  23.580 -15.269  10.393
  707    HA   LYS 839           HA       LYS 839  22.958 -13.707   8.010
  708    HB2  LYS 839           HB2      LYS 839  25.013 -13.845   6.909
  709    HB3  LYS 839           HB3      LYS 839  25.403 -13.226   8.495
  710    HG2  LYS 839           HG2      LYS 839  25.826 -16.096   7.521
  711    HG3  LYS 839           HG3      LYS 839  27.048 -14.837   7.635
  712    HD2  LYS 839           HD2      LYS 839  26.743 -14.758  10.113
  713    HD3  LYS 839           HD3      LYS 839  25.583 -16.105   9.979
  714    HE2  LYS 839           HE2      LYS 839  27.336 -17.511   8.918
  715    HE3  LYS 839           HE3      LYS 839  28.492 -16.175   9.072
  716    HZ1  LYS 839           HZ1      LYS 839  27.178 -17.581  11.329
  717    HZ2  LYS 839           HZ2      LYS 839  28.213 -16.324  11.491
  718    HZ3  LYS 839           HZ3      LYS 839  28.746 -17.742  10.887
  719    H    LEU 840           H        LEU 840  22.712 -14.964   6.089
  720    HA   LEU 840           HA       LEU 840  21.634 -17.621   6.626
  721    HB2  LEU 840           HB2      LEU 840  20.643 -17.532   4.520
  722    HB3  LEU 840           HB3      LEU 840  20.461 -15.963   5.251
  723    HG   LEU 840           HG       LEU 840  20.759 -15.641   2.972
  724   HD11  LEU 840          HD11      LEU 840  22.710 -14.246   2.713
  725   HD12  LEU 840          HD12      LEU 840  23.517 -15.006   4.100
  726   HD13  LEU 840          HD13      LEU 840  22.048 -14.015   4.345
  727   HD21  LEU 840          HD21      LEU 840  23.349 -17.221   2.873
  728   HD22  LEU 840          HD22      LEU 840  22.460 -16.477   1.540
  729   HD23  LEU 840          HD23      LEU 840  21.749 -17.846   2.399
  730    H    GLY 841           H        GLY 841  22.043 -19.454   5.169
  731    HA2  GLY 841           HA2      GLY 841  23.413 -20.985   4.067
  732    HA3  GLY 841           HA3      GLY 841  24.635 -19.717   3.870
  733    H    GLY 842           H        GLY 842  26.064 -21.539   4.262
  734    HA2  GLY 842           HA2      GLY 842  27.330 -21.515   6.790
  735    HA3  GLY 842           HA3      GLY 842  26.292 -22.941   6.766
  Start of MODEL    7
    1    H1   GLY  -4           H1       GLY  -4   8.970  -0.852   9.802
    2    H2   GLY  -4           H2       GLY  -4   9.951  -1.620   8.736
    3    H3   GLY  -4           H3       GLY  -4   8.799  -2.459   9.527
    4    HA2  GLY  -4           HA2      GLY  -4   7.032  -1.249   8.427
    5    HA3  GLY  -4           HA3      GLY  -4   8.280  -0.314   7.570
    6    HA   PRO  -3           HA       PRO  -3   7.184  -3.930   4.883
    7    HB2  PRO  -3           HB2      PRO  -3   6.728  -2.581   2.551
    8    HB3  PRO  -3           HB3      PRO  -3   5.513  -2.638   3.860
    9    HG2  PRO  -3           HG2      PRO  -3   7.552  -0.452   3.304
   10    HG3  PRO  -3           HG3      PRO  -3   5.781  -0.277   3.554
   11    HD2  PRO  -3           HD2      PRO  -3   7.580   0.081   5.572
   12    HD3  PRO  -3           HD3      PRO  -3   5.979  -0.664   5.868
   13    H    MET  -2           H        MET  -2   8.230  -4.587   2.738
   14    HA   MET  -2           HA       MET  -2  11.116  -4.362   2.898
   15    HB2  MET  -2           HB2      MET  -2   9.267  -5.645   0.842
   16    HB3  MET  -2           HB3      MET  -2  11.032  -5.819   0.870
   17    HG2  MET  -2           HG2      MET  -2  10.972  -6.880   3.057
   18    HG3  MET  -2           HG3      MET  -2   9.250  -6.602   3.207
   19    HE1  MET  -2           HE1      MET  -2  11.199  -9.731   0.407
   20    HE2  MET  -2           HE2      MET  -2  11.353  -7.993   0.079
   21    HE3  MET  -2           HE3      MET  -2  12.078  -8.695   1.538
   22    H    GLY  -1           H        GLY  -1   8.882  -2.272   1.465
   23    HA2  GLY  -1           HA2      GLY  -1   9.239  -0.251   0.387
   24    HA3  GLY  -1           HA3      GLY  -1  10.981  -0.574   0.407
   25    H    MET 755           H        MET 755  11.088   0.380  -1.648
   26    HA   MET 755           HA       MET 755   9.877  -1.014  -3.976
   27    HB2  MET 755           HB2      MET 755  11.734   1.397  -3.779
   28    HB3  MET 755           HB3      MET 755  11.014   0.771  -5.271
   29    HG2  MET 755           HG2      MET 755   8.752   1.128  -4.341
   30    HG3  MET 755           HG3      MET 755   9.444   1.846  -2.889
   31    HE1  MET 755           HE1      MET 755  11.800   3.723  -3.934
   32    HE2  MET 755           HE2      MET 755  10.881   5.228  -4.090
   33    HE3  MET 755           HE3      MET 755  10.566   4.145  -2.721
   34    H    GLN 756           H        GLN 756  12.747  -1.365  -2.125
   35    HA   GLN 756           HA       GLN 756  14.532  -2.118  -4.305
   36    HB2  GLN 756           HB2      GLN 756  15.266  -1.010  -2.193
   37    HB3  GLN 756           HB3      GLN 756  14.825  -2.466  -1.291
   38    HG2  GLN 756           HG2      GLN 756  16.535  -3.765  -2.468
   39    HG3  GLN 756           HG3      GLN 756  16.862  -2.412  -3.563
   40   HE21  GLN 756          HE21      GLN 756  17.003  -3.343  -0.058
   41   HE22  GLN 756          HE22      GLN 756  18.363  -2.288   0.291
   42    H    SER 757           H        SER 757  12.272  -3.907  -2.235
   43    HA   SER 757           HA       SER 757  12.742  -6.360  -3.759
   44    HB2  SER 757           HB2      SER 757  14.492  -6.389  -1.932
   45    HB3  SER 757           HB3      SER 757  13.160  -6.429  -0.759
   46    HG   SER 757           HG       SER 757  14.071  -8.529  -1.407
   47    H    ILE 758           H        ILE 758  11.182  -8.076  -3.177
   48    HA   ILE 758           HA       ILE 758   8.643  -7.069  -1.991
   49    HB   ILE 758           HB       ILE 758   8.725  -8.520  -4.673
   50   HG12  ILE 758          HG12      ILE 758   7.660  -6.209  -5.435
   51   HG13  ILE 758          HG13      ILE 758   8.617  -5.545  -4.115
   52   HG21  ILE 758          HG21      ILE 758   6.652  -8.888  -3.372
   53   HG22  ILE 758          HG22      ILE 758   6.466  -7.139  -3.160
   54   HG23  ILE 758          HG23      ILE 758   6.330  -7.878  -4.767
   55   HD11  ILE 758          HD11      ILE 758   9.724  -5.404  -6.324
   56   HD12  ILE 758          HD12      ILE 758  10.684  -6.430  -5.250
   57   HD13  ILE 758          HD13      ILE 758   9.652  -7.168  -6.492
   58    H    ARG 759           H        ARG 759   7.336  -8.708  -1.097
   59    HA   ARG 759           HA       ARG 759   8.776 -10.720   0.209
   60    HB2  ARG 759           HB2      ARG 759   6.731 -11.241   1.299
   61    HB3  ARG 759           HB3      ARG 759   6.822  -9.502   1.080
   62    HG2  ARG 759           HG2      ARG 759   5.372 -10.057  -1.128
   63    HG3  ARG 759           HG3      ARG 759   5.027 -11.545  -0.236
   64    HD2  ARG 759           HD2      ARG 759   3.231  -9.983   0.178
   65    HD3  ARG 759           HD3      ARG 759   4.148 -10.180   1.661
   66    HE   ARG 759           HE       ARG 759   4.752  -7.969   1.601
   67   HH11  ARG 759          HH11      ARG 759   3.407  -8.691  -1.604
   68   HH12  ARG 759          HH12      ARG 759   3.491  -7.030  -2.100
   69   HH21  ARG 759          HH21      ARG 759   4.803  -5.860   0.893
   70   HH22  ARG 759          HH22      ARG 759   4.250  -5.455  -0.699
   71    H    GLU 760           H        GLU 760   7.060 -11.038  -2.793
   72    HA   GLU 760           HA       GLU 760   6.917 -13.992  -2.667
   73    HB2  GLU 760           HB2      GLU 760   5.684 -13.847  -4.739
   74    HB3  GLU 760           HB3      GLU 760   4.987 -12.791  -3.517
   75    HG2  GLU 760           HG2      GLU 760   6.367 -10.895  -4.666
   76    HG3  GLU 760           HG3      GLU 760   6.557 -12.044  -6.000
   77    H    GLN 761           H        GLN 761   7.739 -15.306  -4.517
   78    HA   GLN 761           HA       GLN 761  10.201 -14.227  -5.756
   79    HB2  GLN 761           HB2      GLN 761  11.654 -15.880  -4.716
   80    HB3  GLN 761           HB3      GLN 761  10.891 -14.854  -3.507
   81    HG2  GLN 761           HG2      GLN 761   9.176 -16.718  -3.138
   82    HG3  GLN 761           HG3      GLN 761  10.145 -17.744  -4.206
   83   HE21  GLN 761          HE21      GLN 761  10.409 -15.740  -1.205
   84   HE22  GLN 761          HE22      GLN 761  11.602 -16.801  -0.461
   85    H    SER 762           H        SER 762  10.975 -15.318  -7.504
   86    HA   SER 762           HA       SER 762   9.106 -17.000  -8.920
   87    HB2  SER 762           HB2      SER 762  11.969 -16.290  -9.640
   88    HB3  SER 762           HB3      SER 762  10.711 -16.877 -10.734
   89    HG   SER 762           HG       SER 762  11.008 -14.581 -10.850
   90    H    CYS 763           H        CYS 763   9.425 -19.066  -9.792
   91    HA   CYS 763           HA       CYS 763  11.644 -20.791  -8.999
   92    HB2  CYS 763           HB2      CYS 763  10.206 -22.349  -7.692
   93    HB3  CYS 763           HB3      CYS 763  10.309 -20.771  -6.926
   94    HG   CYS 763           HG       CYS 763   7.861 -21.804  -6.691
   95    H    ARG 764           H        ARG 764  11.096 -23.148  -9.668
   96    HA   ARG 764           HA       ARG 764   9.708 -23.173 -12.303
   97    HB2  ARG 764           HB2      ARG 764  12.043 -24.251 -11.838
   98    HB3  ARG 764           HB3      ARG 764  11.130 -25.552 -11.072
   99    HG2  ARG 764           HG2      ARG 764   9.779 -25.733 -13.238
  100    HG3  ARG 764           HG3      ARG 764  10.844 -24.512 -13.928
  101    HD2  ARG 764           HD2      ARG 764  11.639 -26.599 -14.699
  102    HD3  ARG 764           HD3      ARG 764  12.799 -26.072 -13.471
  103    HE   ARG 764           HE       ARG 764  10.937 -27.646 -12.094
  104   HH11  ARG 764          HH11      ARG 764  13.190 -28.266 -14.746
  105   HH12  ARG 764          HH12      ARG 764  13.253 -29.966 -14.412
  106   HH21  ARG 764          HH21      ARG 764  11.026 -29.832 -11.739
  107   HH22  ARG 764          HH22      ARG 764  12.073 -30.830 -12.702
  108    H    VAL 765           H        VAL 765   7.848 -24.271 -12.586
  109    HA   VAL 765           HA       VAL 765   6.410 -25.525 -10.277
  110    HB   VAL 765           HB       VAL 765   4.399 -24.226 -10.811
  111   HG11  VAL 765          HG11      VAL 765   6.780 -22.412 -10.236
  112   HG12  VAL 765          HG12      VAL 765   5.084 -22.061  -9.888
  113   HG13  VAL 765          HG13      VAL 765   5.902 -23.394  -9.040
  114   HG21  VAL 765          HG21      VAL 765   4.410 -22.293 -12.271
  115   HG22  VAL 765          HG22      VAL 765   6.123 -22.541 -12.667
  116   HG23  VAL 765          HG23      VAL 765   4.916 -23.704 -13.201
  117    H    VAL 766           H        VAL 766   4.361 -26.594 -10.993
  118    HA   VAL 766           HA       VAL 766   4.608 -27.760 -13.737
  119    HB   VAL 766           HB       VAL 766   5.894 -29.190 -12.353
  120   HG11  VAL 766          HG11      VAL 766   3.549 -29.494 -10.453
  121   HG12  VAL 766          HG12      VAL 766   5.066 -30.403 -10.422
  122   HG13  VAL 766          HG13      VAL 766   5.095 -28.668 -10.118
  123   HG21  VAL 766          HG21      VAL 766   4.422 -30.294 -14.025
  124   HG22  VAL 766          HG22      VAL 766   4.830 -31.344 -12.653
  125   HG23  VAL 766          HG23      VAL 766   3.234 -30.591 -12.724
  126    H    THR 767           H        THR 767   2.810 -28.201 -14.747
  127    HA   THR 767           HA       THR 767   0.204 -28.242 -13.274
  128    HB   THR 767           HB       THR 767   0.680 -27.917 -16.260
  129    HG1  THR 767           HG1      THR 767  -0.209 -25.996 -14.365
  130   HG21  THR 767          HG21      THR 767  -1.525 -28.922 -15.713
  131   HG22  THR 767          HG22      THR 767  -1.699 -27.272 -16.314
  132   HG23  THR 767          HG23      THR 767  -1.848 -27.603 -14.576
  133    H    CYS 768           H        CYS 768  -0.526 -30.246 -12.885
  134    HA   CYS 768           HA       CYS 768   0.313 -32.597 -14.476
  135    HB2  CYS 768           HB2      CYS 768  -0.157 -32.802 -12.045
  136    HB3  CYS 768           HB3      CYS 768  -1.823 -32.272 -12.336
  137    H    LYS 769           H        LYS 769  -0.551 -32.900 -16.447
  138    HA   LYS 769           HA       LYS 769  -2.834 -31.322 -17.379
  139    HB2  LYS 769           HB2      LYS 769  -1.241 -33.509 -18.800
  140    HB3  LYS 769           HB3      LYS 769  -2.344 -32.375 -19.556
  141    HG2  LYS 769           HG2      LYS 769   0.321 -31.716 -18.219
  142    HG3  LYS 769           HG3      LYS 769  -0.011 -31.719 -19.936
  143    HD2  LYS 769           HD2      LYS 769  -1.257 -29.799 -17.907
  144    HD3  LYS 769           HD3      LYS 769   0.081 -29.435 -18.994
  145    HE2  LYS 769           HE2      LYS 769  -1.374 -29.887 -20.955
  146    HE3  LYS 769           HE3      LYS 769  -2.733 -30.215 -19.872
  147    HZ1  LYS 769           HZ1      LYS 769  -1.313 -27.614 -20.067
  148    HZ2  LYS 769           HZ2      LYS 769  -2.567 -27.924 -19.071
  149    HZ3  LYS 769           HZ3      LYS 769  -2.779 -27.946 -20.695
  150    H    THR 770           H        THR 770  -2.405 -34.511 -16.081
  151    HA   THR 770           HA       THR 770  -4.869 -35.700 -17.065
  152    HB   THR 770           HB       THR 770  -3.200 -36.386 -14.615
  153    HG1  THR 770           HG1      THR 770  -3.108 -37.396 -17.267
  154   HG21  THR 770          HG21      THR 770  -5.150 -38.069 -16.254
  155   HG22  THR 770          HG22      THR 770  -5.392 -37.517 -14.583
  156   HG23  THR 770          HG23      THR 770  -4.106 -38.674 -14.957
  157    H    CYS 771           H        CYS 771  -3.995 -34.086 -13.967
  158    HA   CYS 771           HA       CYS 771  -6.819 -34.168 -13.073
  159    HB2  CYS 771           HB2      CYS 771  -4.258 -33.207 -11.751
  160    HB3  CYS 771           HB3      CYS 771  -5.821 -33.319 -10.945
  161    H    LYS 772           H        LYS 772  -4.605 -31.846 -14.408
  162    HA   LYS 772           HA       LYS 772  -4.792 -29.776 -15.192
  163    HB2  LYS 772           HB2      LYS 772  -7.750 -29.763 -14.463
  164    HB3  LYS 772           HB3      LYS 772  -6.901 -28.642 -15.508
  165    HG2  LYS 772           HG2      LYS 772  -7.518 -29.899 -17.217
  166    HG3  LYS 772           HG3      LYS 772  -6.247 -31.026 -16.733
  167    HD2  LYS 772           HD2      LYS 772  -7.946 -32.309 -15.400
  168    HD3  LYS 772           HD3      LYS 772  -9.166 -31.125 -15.862
  169    HE2  LYS 772           HE2      LYS 772  -9.513 -32.944 -17.312
  170    HE3  LYS 772           HE3      LYS 772  -8.698 -31.720 -18.290
  171    HZ1  LYS 772           HZ1      LYS 772  -7.399 -34.070 -17.030
  172    HZ2  LYS 772           HZ2      LYS 772  -6.611 -32.968 -17.942
  173    HZ3  LYS 772           HZ3      LYS 772  -7.754 -33.930 -18.623
  174    H    TYR 773           H        TYR 773  -4.242 -30.286 -12.251
  175    HA   TYR 773           HA       TYR 773  -4.660 -27.500 -11.217
  176    HB2  TYR 773           HB2      TYR 773  -4.247 -28.215  -9.080
  177    HB3  TYR 773           HB3      TYR 773  -5.160 -29.548  -9.729
  178    HD1  TYR 773           HD1      TYR 773  -1.841 -28.393  -8.548
  179    HD2  TYR 773           HD2      TYR 773  -4.066 -31.728 -10.105
  180    HE1  TYR 773           HE1      TYR 773   0.087 -29.900  -8.069
  181    HE2  TYR 773           HE2      TYR 773  -2.158 -33.251  -9.573
  182    HH   TYR 773           HH       TYR 773   0.894 -32.012  -8.129
  183    H    THR 774           H        THR 774  -2.860 -26.321 -10.334
  184    HA   THR 774           HA       THR 774  -0.167 -27.037 -11.410
  185    HB   THR 774           HB       THR 774  -1.299 -24.223 -11.220
  186    HG1  THR 774           HG1      THR 774  -1.503 -24.386 -13.442
  187   HG21  THR 774          HG21      THR 774   1.205 -25.295 -12.605
  188   HG22  THR 774          HG22      THR 774   1.194 -24.320 -11.129
  189   HG23  THR 774          HG23      THR 774   0.628 -23.620 -12.651
  190    H    HIS 775           H        HIS 775   1.523 -26.827 -10.046
  191    HA   HIS 775           HA       HIS 775   1.561 -25.195  -7.693
  192    HB2  HIS 775           HB2      HIS 775   0.392 -27.799  -7.331
  193    HB3  HIS 775           HB3      HIS 775   1.902 -27.772  -6.461
  194    HD1  HIS 775           HD1      HIS 775   2.047 -25.416  -4.716
  195    HD2  HIS 775           HD2      HIS 775  -1.643 -26.790  -6.172
  196    HE1  HIS 775           HE1      HIS 775   0.278 -24.369  -3.233
  197    H    PHE 776           H        PHE 776   3.575 -26.303  -6.214
  198    HA   PHE 776           HA       PHE 776   5.813 -25.585  -7.820
  199    HB2  PHE 776           HB2      PHE 776   6.177 -26.925  -5.154
  200    HB3  PHE 776           HB3      PHE 776   6.987 -25.519  -5.820
  201    HD1  PHE 776           HD1      PHE 776   5.436 -23.334  -6.078
  202    HD2  PHE 776           HD2      PHE 776   4.606 -26.656  -3.452
  203    HE1  PHE 776           HE1      PHE 776   3.874 -21.915  -4.754
  204    HE2  PHE 776           HE2      PHE 776   3.083 -25.231  -2.127
  205    HZ   PHE 776           HZ       PHE 776   2.689 -22.872  -2.790
  206    H    LYS 777           H        LYS 777   4.499 -28.697  -6.943
  207    HA   LYS 777           HA       LYS 777   6.444 -30.213  -8.507
  208    HB2  LYS 777           HB2      LYS 777   7.217 -31.587  -6.630
  209    HB3  LYS 777           HB3      LYS 777   7.650 -29.894  -6.406
  210    HG2  LYS 777           HG2      LYS 777   5.689 -29.639  -4.836
  211    HG3  LYS 777           HG3      LYS 777   5.368 -31.375  -5.023
  212    HD2  LYS 777           HD2      LYS 777   7.649 -31.876  -4.155
  213    HD3  LYS 777           HD3      LYS 777   7.952 -30.128  -3.991
  214    HE2  LYS 777           HE2      LYS 777   6.051 -29.950  -2.401
  215    HE3  LYS 777           HE3      LYS 777   5.722 -31.677  -2.585
  216    HZ1  LYS 777           HZ1      LYS 777   7.023 -31.268  -0.601
  217    HZ2  LYS 777           HZ2      LYS 777   8.202 -30.510  -1.439
  218    HZ3  LYS 777           HZ3      LYS 777   7.948 -32.111  -1.654
  219    HA   PRO 778           HA       PRO 778   2.869 -32.824  -8.905
  220    HB2  PRO 778           HB2      PRO 778   3.880 -35.252  -9.626
  221    HB3  PRO 778           HB3      PRO 778   3.961 -33.809 -10.683
  222    HG2  PRO 778           HG2      PRO 778   6.138 -34.907  -8.884
  223    HG3  PRO 778           HG3      PRO 778   6.268 -34.372 -10.587
  224    HD2  PRO 778           HD2      PRO 778   6.939 -32.774  -8.464
  225    HD3  PRO 778           HD3      PRO 778   6.258 -32.129  -9.979
  226    H    LYS 779           H        LYS 779   1.576 -34.286  -7.717
  227    HA   LYS 779           HA       LYS 779   2.392 -34.795  -4.971
  228    HB2  LYS 779           HB2      LYS 779  -0.070 -35.472  -6.612
  229    HB3  LYS 779           HB3      LYS 779   0.102 -35.938  -4.912
  230    HG2  LYS 779           HG2      LYS 779   0.400 -33.581  -4.252
  231    HG3  LYS 779           HG3      LYS 779   0.195 -33.065  -5.928
  232    HD2  LYS 779           HD2      LYS 779  -1.893 -34.536  -4.263
  233    HD3  LYS 779           HD3      LYS 779  -1.860 -32.792  -4.572
  234    HE2  LYS 779           HE2      LYS 779  -2.060 -33.237  -7.022
  235    HE3  LYS 779           HE3      LYS 779  -2.127 -34.970  -6.712
  236    HZ1  LYS 779           HZ1      LYS 779  -4.159 -34.615  -5.445
  237    HZ2  LYS 779           HZ2      LYS 779  -4.334 -34.053  -6.972
  238    HZ3  LYS 779           HZ3      LYS 779  -4.116 -32.996  -5.740
  239    H    GLU 780           H        GLU 780   2.289 -36.838  -3.875
  240    HA   GLU 780           HA       GLU 780   3.961 -38.798  -5.036
  241    HB2  GLU 780           HB2      GLU 780   3.542 -40.138  -3.054
  242    HB3  GLU 780           HB3      GLU 780   3.780 -38.444  -2.632
  243    HG2  GLU 780           HG2      GLU 780   1.253 -38.207  -2.453
  244    HG3  GLU 780           HG3      GLU 780   1.120 -39.945  -2.717
  245    H    THR 781           H        THR 781   0.386 -38.715  -4.932
  246    HA   THR 781           HA       THR 781  -0.016 -41.320  -6.124
  247    HB   THR 781           HB       THR 781  -2.281 -40.287  -6.735
  248    HG1  THR 781           HG1      THR 781  -1.927 -38.133  -6.648
  249   HG21  THR 781          HG21      THR 781  -3.069 -40.361  -4.410
  250   HG22  THR 781          HG22      THR 781  -1.382 -40.302  -3.826
  251   HG23  THR 781          HG23      THR 781  -1.953 -41.699  -4.776
  252    H    CYS 782           H        CYS 782   0.324 -38.039  -7.511
  253    HA   CYS 782           HA       CYS 782  -0.174 -38.817 -10.210
  254    HB2  CYS 782           HB2      CYS 782   1.335 -36.433  -9.016
  255    HB3  CYS 782           HB3      CYS 782   0.864 -36.589 -10.702
  256    H    VAL 783           H        VAL 783   2.845 -38.558  -8.340
  257    HA   VAL 783           HA       VAL 783   4.583 -39.427 -10.499
  258    HB   VAL 783           HB       VAL 783   4.991 -39.481  -7.487
  259   HG11  VAL 783          HG11      VAL 783   7.430 -39.673  -8.027
  260   HG12  VAL 783          HG12      VAL 783   6.537 -41.120  -8.484
  261   HG13  VAL 783          HG13      VAL 783   7.016 -39.941  -9.736
  262   HG21  VAL 783          HG21      VAL 783   6.019 -37.580  -9.664
  263   HG22  VAL 783          HG22      VAL 783   4.773 -37.196  -8.472
  264   HG23  VAL 783          HG23      VAL 783   6.412 -37.486  -7.925
  265    H    SER 784           H        SER 784   2.978 -41.257  -7.800
  266    HA   SER 784           HA       SER 784   4.113 -43.797  -8.506
  267    HB2  SER 784           HB2      SER 784   3.150 -43.185  -6.309
  268    HB3  SER 784           HB3      SER 784   1.535 -43.182  -7.033
  269    HG   SER 784           HG       SER 784   2.069 -45.188  -5.967
  270    H    GLU 785           H        GLU 785   0.954 -42.341  -9.469
  271    HA   GLU 785           HA       GLU 785   0.273 -44.638 -11.166
  272    HB2  GLU 785           HB2      GLU 785  -0.998 -41.888 -10.865
  273    HB3  GLU 785           HB3      GLU 785  -1.626 -43.204 -11.869
  274    HG2  GLU 785           HG2      GLU 785  -1.770 -44.644  -9.819
  275    HG3  GLU 785           HG3      GLU 785  -1.340 -43.240  -8.843
  276    H    ASN 786           H        ASN 786   2.346 -41.980 -11.572
  277    HA   ASN 786           HA       ASN 786   3.450 -41.035 -13.271
  278    HB2  ASN 786           HB2      ASN 786   2.787 -43.604 -14.764
  279    HB3  ASN 786           HB3      ASN 786   3.948 -42.390 -15.285
  280   HD21  ASN 786          HD21      ASN 786   3.327 -44.919 -12.864
  281   HD22  ASN 786          HD22      ASN 786   4.986 -44.981 -12.287
  282    H    HIS 787           H        HIS 787   1.225 -39.784 -12.962
  283    HA   HIS 787           HA       HIS 787  -0.420 -39.354 -15.319
  284    HB2  HIS 787           HB2      HIS 787   0.320 -37.529 -13.004
  285    HB3  HIS 787           HB3      HIS 787  -0.827 -37.122 -14.261
  286    HD2  HIS 787           HD2      HIS 787  -1.432 -40.686 -13.439
  287    HE1  HIS 787           HE1      HIS 787  -3.970 -38.633 -10.723
  288    HE2  HIS 787           HE2      HIS 787  -3.376 -40.905 -11.715
  289    H    ASP 788           H        ASP 788  -0.301 -37.474 -16.733
  290    HA   ASP 788           HA       ASP 788   2.505 -36.871 -17.583
  291    HB2  ASP 788           HB2      ASP 788  -0.199 -36.415 -18.919
  292    HB3  ASP 788           HB3      ASP 788   1.341 -35.825 -19.551
  293    H    PHE 789           H        PHE 789   3.469 -35.090 -16.838
  294    HA   PHE 789           HA       PHE 789   1.813 -32.676 -16.251
  295    HB2  PHE 789           HB2      PHE 789   4.200 -32.417 -14.813
  296    HB3  PHE 789           HB3      PHE 789   2.580 -32.578 -14.194
  297    HD1  PHE 789           HD2      PHE 789   1.721 -34.851 -13.476
  298    HD2  PHE 789           HD1      PHE 789   5.855 -34.091 -14.460
  299    HE1  PHE 789           HE2      PHE 789   2.413 -36.850 -12.176
  300    HE2  PHE 789           HE1      PHE 789   6.531 -36.074 -13.118
  301    HZ   PHE 789           HZ       PHE 789   4.806 -37.459 -11.982
  302    H    HIS 790           H        HIS 790   2.595 -30.698 -16.755
  303    HA   HIS 790           HA       HIS 790   5.024 -30.526 -18.521
  304    HB2  HIS 790           HB2      HIS 790   2.500 -28.834 -18.482
  305    HB3  HIS 790           HB3      HIS 790   3.957 -28.424 -19.363
  306    HD1  HIS 790           HD1      HIS 790   1.743 -28.519 -21.244
  307    HD2  HIS 790           HD2      HIS 790   3.719 -32.020 -20.031
  308    HE1  HIS 790           HE1      HIS 790   1.256 -30.272 -23.036
  309    H    TRP 791           H        TRP 791   6.693 -29.487 -17.607
  310    HA   TRP 791           HA       TRP 791   6.323 -27.774 -15.227
  311    HB2  TRP 791           HB2      TRP 791   8.765 -28.907 -16.627
  312    HB3  TRP 791           HB3      TRP 791   8.855 -27.768 -15.307
  313    HD1  TRP 791           HD1      TRP 791   7.885 -31.399 -15.972
  314    HE1  TRP 791           HE1      TRP 791   7.996 -32.722 -13.782
  315    HE3  TRP 791           HE3      TRP 791   8.537 -27.512 -12.710
  316    HZ2  TRP 791           HZ2      TRP 791   8.465 -32.169 -10.983
  317    HZ3  TRP 791           HZ3      TRP 791   8.831 -27.929 -10.297
  318    HH2  TRP 791           HH2      TRP 791   8.818 -30.258  -9.412
  319    H    HIS 792           H        HIS 792   7.012 -25.660 -15.084
  320    HA   HIS 792           HA       HIS 792   8.188 -24.135 -17.251
  321    HB2  HIS 792           HB2      HIS 792   6.369 -22.652 -17.716
  322    HB3  HIS 792           HB3      HIS 792   5.837 -24.287 -18.051
  323    HD1  HIS 792           HD1      HIS 792   4.835 -21.287 -16.046
  324    HD2  HIS 792           HD2      HIS 792   4.169 -25.437 -16.073
  325    HE1  HIS 792           HE1      HIS 792   2.686 -21.675 -14.740
  326    H    ASN 793           H        ASN 793   7.896 -21.578 -16.484
  327    HA   ASN 793           HA       ASN 793   8.755 -21.538 -13.630
  328    HB2  ASN 793           HB2      ASN 793   9.104 -19.559 -15.899
  329    HB3  ASN 793           HB3      ASN 793   9.460 -19.166 -14.212
  330   HD21  ASN 793          HD21      ASN 793  10.925 -20.832 -13.040
  331   HD22  ASN 793          HD22      ASN 793  12.297 -21.395 -13.989
  332    H    GLY 794           H        GLY 794   7.917 -20.166 -12.110
  333    HA2  GLY 794           HA2      GLY 794   5.498 -18.535 -12.586
  334    HA3  GLY 794           HA3      GLY 794   5.287 -19.969 -11.589
  335    H    VAL 795           H        VAL 795   4.638 -18.167 -10.073
  336    HA   VAL 795           HA       VAL 795   6.931 -17.410  -8.335
  337    HB   VAL 795           HB       VAL 795   4.703 -15.503  -9.192
  338   HG11  VAL 795          HG11      VAL 795   5.154 -15.139  -6.805
  339   HG12  VAL 795          HG12      VAL 795   6.898 -15.132  -7.093
  340   HG13  VAL 795          HG13      VAL 795   5.879 -13.825  -7.729
  341   HG21  VAL 795          HG21      VAL 795   6.510 -15.602 -10.860
  342   HG22  VAL 795          HG22      VAL 795   6.539 -14.059 -10.005
  343   HG23  VAL 795          HG23      VAL 795   7.712 -15.321  -9.579
  344    H    LYS 796           H        LYS 796   6.543 -17.658  -6.219
  345    HA   LYS 796           HA       LYS 796   3.861 -18.671  -5.353
  346    HB2  LYS 796           HB2      LYS 796   4.985 -20.028  -3.797
  347    HB3  LYS 796           HB3      LYS 796   5.847 -20.188  -5.326
  348    HG2  LYS 796           HG2      LYS 796   7.348 -18.210  -4.267
  349    HG3  LYS 796           HG3      LYS 796   6.721 -18.864  -2.753
  350    HD2  LYS 796           HD2      LYS 796   8.247 -20.343  -4.924
  351    HD3  LYS 796           HD3      LYS 796   8.888 -19.802  -3.364
  352    HE2  LYS 796           HE2      LYS 796   7.260 -21.284  -2.183
  353    HE3  LYS 796           HE3      LYS 796   6.665 -21.873  -3.741
  354    HZ1  LYS 796           HZ1      LYS 796   9.449 -22.185  -2.747
  355    HZ2  LYS 796           HZ2      LYS 796   8.883 -22.755  -4.179
  356    HZ3  LYS 796           HZ3      LYS 796   8.317 -23.366  -2.780
  357    H    ARG 797           H        ARG 797   2.878 -17.993  -3.523
  358    HA   ARG 797           HA       ARG 797   3.928 -15.600  -2.080
  359    HB2  ARG 797           HB2      ARG 797   1.100 -15.428  -2.082
  360    HB3  ARG 797           HB3      ARG 797   2.256 -14.300  -2.745
  361    HG2  ARG 797           HG2      ARG 797   1.159 -16.642  -4.354
  362    HG3  ARG 797           HG3      ARG 797   0.343 -15.087  -4.234
  363    HD2  ARG 797           HD2      ARG 797   2.041 -13.910  -5.336
  364    HD3  ARG 797           HD3      ARG 797   3.201 -15.238  -5.220
  365    HE   ARG 797           HE       ARG 797   1.163 -16.393  -6.619
  366   HH11  ARG 797          HH11      ARG 797   2.951 -13.368  -7.288
  367   HH12  ARG 797          HH12      ARG 797   2.635 -13.528  -8.992
  368   HH21  ARG 797          HH21      ARG 797   0.919 -16.532  -8.762
  369   HH22  ARG 797          HH22      ARG 797   1.526 -15.276  -9.825
  370    H    PHE 798           H        PHE 798   3.223 -15.374   0.072
  371    HA   PHE 798           HA       PHE 798   2.746 -18.002   1.398
  372    HB2  PHE 798           HB2      PHE 798   4.202 -15.574   2.491
  373    HB3  PHE 798           HB3      PHE 798   4.210 -17.216   3.116
  374    HD1  PHE 798           HD2      PHE 798   5.084 -19.068   1.437
  375    HD2  PHE 798           HD1      PHE 798   6.034 -14.882   1.122
  376    HE1  PHE 798           HE2      PHE 798   7.062 -19.635   0.041
  377    HE2  PHE 798           HE1      PHE 798   8.020 -15.450  -0.253
  378    HZ   PHE 798           HZ       PHE 798   8.542 -17.822  -0.780
  379    H    PHE 799           H        PHE 799   1.353 -18.221   3.109
  380    HA   PHE 799           HA       PHE 799  -0.411 -15.910   3.779
  381    HB2  PHE 799           HB2      PHE 799  -1.316 -18.694   2.951
  382    HB3  PHE 799           HB3      PHE 799  -2.350 -17.353   3.460
  383    HD1  PHE 799           HD1      PHE 799  -2.808 -15.469   1.990
  384    HD2  PHE 799           HD2      PHE 799  -0.226 -18.678   0.725
  385    HE1  PHE 799           HE1      PHE 799  -2.833 -14.569  -0.311
  386    HE2  PHE 799           HE2      PHE 799  -0.263 -17.785  -1.594
  387    HZ   PHE 799           HZ       PHE 799  -1.547 -15.713  -2.119
  388    H    LYS 800           H        LYS 800  -1.529 -15.962   5.666
  389    HA   LYS 800           HA       LYS 800  -0.840 -17.995   7.752
  390    HB2  LYS 800           HB2      LYS 800   0.399 -15.903   8.124
  391    HB3  LYS 800           HB3      LYS 800  -1.098 -14.971   7.968
  392    HG2  LYS 800           HG2      LYS 800  -1.997 -16.071   9.985
  393    HG3  LYS 800           HG3      LYS 800  -0.496 -16.991  10.171
  394    HD2  LYS 800           HD2      LYS 800   0.690 -14.761  10.416
  395    HD3  LYS 800           HD3      LYS 800  -0.879 -13.955  10.309
  396    HE2  LYS 800           HE2      LYS 800  -0.054 -15.982  12.444
  397    HE3  LYS 800           HE3      LYS 800  -0.104 -14.236  12.657
  398    HZ1  LYS 800           HZ1      LYS 800  -2.510 -14.316  12.246
  399    HZ2  LYS 800           HZ2      LYS 800  -2.104 -15.252  13.525
  400    HZ3  LYS 800           HZ3      LYS 800  -2.472 -15.951  12.088
  401    H    CYS 801           H        CYS 801  -2.437 -18.660   9.080
  402    HA   CYS 801           HA       CYS 801  -5.277 -17.890   8.571
  403    HB2  CYS 801           HB2      CYS 801  -4.447 -20.270   8.450
  404    HB3  CYS 801           HB3      CYS 801  -3.986 -20.156  10.157
  405    HA   PRO 802           HA       PRO 802  -5.451 -15.586  12.437
  406    HB2  PRO 802           HB2      PRO 802  -7.964 -16.375  13.442
  407    HB3  PRO 802           HB3      PRO 802  -7.631 -15.052  12.280
  408    HG2  PRO 802           HG2      PRO 802  -8.426 -17.915  11.682
  409    HG3  PRO 802           HG3      PRO 802  -9.062 -16.396  10.960
  410    HD2  PRO 802           HD2      PRO 802  -7.240 -17.798   9.623
  411    HD3  PRO 802           HD3      PRO 802  -7.040 -16.032   9.743
  412    H    CYS 803           H        CYS 803  -5.885 -19.143  12.603
  413    HA   CYS 803           HA       CYS 803  -5.442 -19.251  15.466
  414    HB2  CYS 803           HB2      CYS 803  -5.422 -21.607  15.234
  415    HB3  CYS 803           HB3      CYS 803  -6.732 -20.968  14.259
  416    H    GLY 804           H        GLY 804  -3.335 -18.613  12.910
  417    HA2  GLY 804           HA2      GLY 804  -1.054 -17.962  13.266
  418    HA3  GLY 804           HA3      GLY 804  -0.885 -19.186  14.534
  419    H    ASN 805           H        ASN 805  -2.439 -20.950  12.332
  420    HA   ASN 805           HA       ASN 805  -0.162 -22.329  11.344
  421    HB2  ASN 805           HB2      ASN 805  -2.483 -23.234  11.695
  422    HB3  ASN 805           HB3      ASN 805  -2.996 -22.353  10.249
  423   HD21  ASN 805          HD21      ASN 805  -3.636 -24.433   9.318
  424   HD22  ASN 805          HD22      ASN 805  -2.402 -25.563   8.750
  425    H    ARG 806           H        ARG 806   0.485 -22.673   9.074
  426    HA   ARG 806           HA       ARG 806   0.391 -20.165   7.429
  427    HB2  ARG 806           HB2      ARG 806   2.853 -21.849   8.011
  428    HB3  ARG 806           HB3      ARG 806   2.800 -20.359   7.078
  429    HG2  ARG 806           HG2      ARG 806   2.197 -20.593  10.064
  430    HG3  ARG 806           HG3      ARG 806   3.720 -20.069   9.362
  431    HD2  ARG 806           HD2      ARG 806   2.719 -18.080   8.433
  432    HD3  ARG 806           HD3      ARG 806   1.090 -18.615   8.847
  433    HE   ARG 806           HE       ARG 806   1.855 -18.602  11.259
  434   HH11  ARG 806          HH11      ARG 806   3.182 -16.237   8.976
  435   HH12  ARG 806          HH12      ARG 806   3.599 -15.119  10.239
  436   HH21  ARG 806          HH21      ARG 806   2.478 -17.151  12.828
  437   HH22  ARG 806          HH22      ARG 806   3.192 -15.625  12.389
  438    H    THR 807           H        THR 807   0.766 -20.420   5.177
  439    HA   THR 807           HA       THR 807   1.452 -22.971   4.020
  440    HB   THR 807           HB       THR 807  -1.069 -23.168   4.548
  441    HG1  THR 807           HG1      THR 807  -0.073 -24.626   3.302
  442   HG21  THR 807          HG21      THR 807  -1.711 -20.931   3.546
  443   HG22  THR 807          HG22      THR 807  -2.625 -22.317   2.937
  444   HG23  THR 807          HG23      THR 807  -1.344 -21.596   1.940
  445    H    ILE 808           H        ILE 808   0.991 -22.823   1.538
  446    HA   ILE 808           HA       ILE 808   1.988 -20.224   0.470
  447    HB   ILE 808           HB       ILE 808   3.283 -22.876  -0.274
  448   HG12  ILE 808          HG12      ILE 808   4.184 -20.999   1.937
  449   HG13  ILE 808          HG13      ILE 808   3.749 -22.701   2.075
  450   HG21  ILE 808          HG21      ILE 808   4.283 -20.001  -0.557
  451   HG22  ILE 808          HG22      ILE 808   5.031 -21.468  -1.229
  452   HG23  ILE 808          HG23      ILE 808   3.489 -20.912  -1.847
  453   HD11  ILE 808          HD11      ILE 808   5.719 -23.314   0.685
  454   HD12  ILE 808          HD12      ILE 808   6.229 -21.598   0.746
  455   HD13  ILE 808          HD13      ILE 808   6.104 -22.535   2.237
  456    H    SER 809           H        SER 809   1.382 -19.824  -1.669
  457    HA   SER 809           HA       SER 809   0.099 -21.987  -3.241
  458    HB2  SER 809           HB2      SER 809  -1.754 -20.830  -2.020
  459    HB3  SER 809           HB3      SER 809  -1.306 -19.322  -2.864
  460    HG   SER 809           HG       SER 809  -2.999 -20.566  -3.922
  461    H    LEU 810           H        LEU 810  -0.119 -21.394  -5.522
  462    HA   LEU 810           HA       LEU 810   1.868 -19.401  -6.510
  463    HB2  LEU 810           HB2      LEU 810   0.186 -21.521  -7.928
  464    HB3  LEU 810           HB3      LEU 810   1.239 -20.369  -8.747
  465    HG   LEU 810           HG       LEU 810   2.160 -22.543  -6.811
  466   HD11  LEU 810          HD11      LEU 810   3.118 -23.562  -8.799
  467   HD12  LEU 810          HD12      LEU 810   2.518 -22.243  -9.823
  468   HD13  LEU 810          HD13      LEU 810   1.379 -23.347  -9.015
  469   HD21  LEU 810          HD21      LEU 810   3.676 -20.589  -6.677
  470   HD22  LEU 810          HD22      LEU 810   3.781 -20.516  -8.452
  471   HD23  LEU 810          HD23      LEU 810   4.458 -21.892  -7.563
  472    H    ASP 811           H        ASP 811  -1.502 -19.612  -5.779
  473    HA   ASP 811           HA       ASP 811  -2.182 -17.433  -7.699
  474    HB2  ASP 811           HB2      ASP 811  -3.592 -19.525  -7.525
  475    HB3  ASP 811           HB3      ASP 811  -4.006 -19.040  -5.883
  476    H    ARG 812           H        ARG 812  -3.715 -15.778  -6.742
  477    HA   ARG 812           HA       ARG 812  -2.380 -14.247  -4.719
  478    HB2  ARG 812           HB2      ARG 812  -4.145 -12.656  -4.959
  479    HB3  ARG 812           HB3      ARG 812  -3.597 -13.223  -6.527
  480    HG2  ARG 812           HG2      ARG 812  -5.617 -14.621  -6.783
  481    HG3  ARG 812           HG3      ARG 812  -6.085 -14.304  -5.108
  482    HD2  ARG 812           HD2      ARG 812  -7.424 -12.878  -6.443
  483    HD3  ARG 812           HD3      ARG 812  -6.207 -11.877  -5.617
  484    HE   ARG 812           HE       ARG 812  -5.347 -12.713  -8.267
  485   HH11  ARG 812          HH11      ARG 812  -7.371 -10.280  -6.683
  486   HH12  ARG 812          HH12      ARG 812  -7.171  -9.140  -7.981
  487   HH21  ARG 812          HH21      ARG 812  -5.136 -11.199  -9.907
  488   HH22  ARG 812          HH22      ARG 812  -5.935  -9.659  -9.793
  489    H    LEU 813           H        LEU 813  -4.482 -16.865  -4.254
  490    HA   LEU 813           HA       LEU 813  -4.370 -16.565  -1.401
  491    HB2  LEU 813           HB2      LEU 813  -6.482 -15.229  -2.235
  492    HB3  LEU 813           HB3      LEU 813  -7.145 -16.825  -2.599
  493    HG   LEU 813           HG       LEU 813  -6.988 -17.416  -0.198
  494   HD11  LEU 813          HD11      LEU 813  -6.580 -15.607   1.475
  495   HD12  LEU 813          HD12      LEU 813  -6.098 -14.517   0.171
  496   HD13  LEU 813          HD13      LEU 813  -5.125 -15.940   0.538
  497   HD21  LEU 813          HD21      LEU 813  -8.807 -15.917   0.566
  498   HD22  LEU 813          HD22      LEU 813  -9.065 -16.486  -1.095
  499   HD23  LEU 813          HD23      LEU 813  -8.484 -14.838  -0.802
  500    HA   PRO 814           HA       PRO 814  -4.394 -21.111  -1.882
  501    HB2  PRO 814           HB2      PRO 814  -5.675 -21.108   0.825
  502    HB3  PRO 814           HB3      PRO 814  -4.240 -22.009   0.225
  503    HG2  PRO 814           HG2      PRO 814  -3.982 -19.810   1.822
  504    HG3  PRO 814           HG3      PRO 814  -2.833 -20.131   0.474
  505    HD2  PRO 814           HD2      PRO 814  -5.161 -18.251   0.612
  506    HD3  PRO 814           HD3      PRO 814  -3.545 -18.023  -0.125
  507    H    LYS 815           H        LYS 815  -5.962 -22.975  -1.502
  508    HA   LYS 815           HA       LYS 815  -8.847 -22.360  -1.565
  509    HB2  LYS 815           HB2      LYS 815  -9.278 -23.444  -3.634
  510    HB3  LYS 815           HB3      LYS 815  -8.077 -22.197  -3.925
  511    HG2  LYS 815           HG2      LYS 815  -7.407 -25.173  -3.619
  512    HG3  LYS 815           HG3      LYS 815  -7.764 -24.373  -5.146
  513    HD2  LYS 815           HD2      LYS 815  -5.827 -22.846  -4.802
  514    HD3  LYS 815           HD3      LYS 815  -5.383 -23.765  -3.344
  515    HE2  LYS 815           HE2      LYS 815  -5.142 -25.814  -4.613
  516    HE3  LYS 815           HE3      LYS 815  -5.713 -25.012  -6.087
  517    HZ1  LYS 815           HZ1      LYS 815  -3.337 -25.083  -6.147
  518    HZ2  LYS 815           HZ2      LYS 815  -3.173 -24.419  -4.677
  519    HZ3  LYS 815           HZ3      LYS 815  -3.758 -23.524  -5.917
  520    H    LYS 816           H        LYS 816  -6.655 -23.912  -0.023
  521    HA   LYS 816           HA       LYS 816  -7.396 -26.729  -0.402
  522    HB2  LYS 816           HB2      LYS 816  -5.243 -27.114   0.725
  523    HB3  LYS 816           HB3      LYS 816  -5.096 -26.025  -0.653
  524    HG2  LYS 816           HG2      LYS 816  -5.038 -24.055   0.901
  525    HG3  LYS 816           HG3      LYS 816  -5.221 -25.124   2.268
  526    HD2  LYS 816           HD2      LYS 816  -2.946 -24.629   2.192
  527    HD3  LYS 816           HD3      LYS 816  -3.065 -26.274   1.551
  528    HE2  LYS 816           HE2      LYS 816  -2.980 -25.308  -0.793
  529    HE3  LYS 816           HE3      LYS 816  -2.858 -23.697  -0.095
  530    HZ1  LYS 816           HZ1      LYS 816  -0.660 -24.363  -0.580
  531    HZ2  LYS 816           HZ2      LYS 816  -0.851 -25.854   0.101
  532    HZ3  LYS 816           HZ3      LYS 816  -0.808 -24.510   1.033
  533    H    HIS 817           H        HIS 817  -7.999 -24.378   1.989
  534    HA   HIS 817           HA       HIS 817  -8.918 -24.313   4.073
  535    HB2  HIS 817           HB2      HIS 817  -9.271 -27.325   3.992
  536    HB3  HIS 817           HB3      HIS 817  -9.923 -26.213   5.176
  537    HD1  HIS 817           HD1      HIS 817 -10.558 -27.324   1.566
  538    HD2  HIS 817           HD2      HIS 817 -12.023 -24.695   4.502
  539    HE1  HIS 817           HE1      HIS 817 -12.803 -26.500   0.714
  540    H    CYS 818           H        CYS 818  -8.320 -24.476   6.262
  541    HA   CYS 818           HA       CYS 818  -5.547 -24.735   6.797
  542    HB2  CYS 818           HB2      CYS 818  -7.109 -23.195   7.868
  543    HB3  CYS 818           HB3      CYS 818  -7.967 -24.534   8.625
  544    H    SER 819           H        SER 819  -4.327 -26.268   7.734
  545    HA   SER 819           HA       SER 819  -5.334 -29.023   8.054
  546    HB2  SER 819           HB2      SER 819  -2.913 -29.498   8.433
  547    HB3  SER 819           HB3      SER 819  -3.268 -28.728   6.879
  548    HG   SER 819           HG       SER 819  -1.445 -27.809   7.987
  549    H    THR 820           H        THR 820  -5.060 -26.313  10.114
  550    HA   THR 820           HA       THR 820  -4.535 -27.962  12.559
  551    HB   THR 820           HB       THR 820  -4.294 -24.983  12.048
  552    HG1  THR 820           HG1      THR 820  -2.664 -26.422  11.229
  553   HG21  THR 820          HG21      THR 820  -3.215 -24.890  14.292
  554   HG22  THR 820          HG22      THR 820  -3.755 -26.561  14.605
  555   HG23  THR 820          HG23      THR 820  -4.941 -25.255  14.381
  556    H    CYS 821           H        CYS 821  -6.875 -25.555  11.269
  557    HA   CYS 821           HA       CYS 821  -8.773 -26.467  13.400
  558    HB2  CYS 821           HB2      CYS 821  -9.628 -24.296  13.637
  559    HB3  CYS 821           HB3      CYS 821  -7.884 -24.250  13.889
  560    H    GLY 822           H        GLY 822  -8.401 -26.173  10.019
  561    HA2  GLY 822           HA2      GLY 822  -9.618 -27.511   8.540
  562    HA3  GLY 822           HA3      GLY 822 -10.938 -27.622   9.713
  563    H    LEU 823           H        LEU 823 -10.598 -24.412   9.572
  564    HA   LEU 823           HA       LEU 823 -12.726 -24.116   7.530
  565    HB2  LEU 823           HB2      LEU 823 -13.032 -21.876   8.498
  566    HB3  LEU 823           HB3      LEU 823 -13.200 -23.193   9.637
  567    HG   LEU 823           HG       LEU 823 -11.141 -22.697  10.719
  568   HD11  LEU 823          HD11      LEU 823 -10.697 -20.542   8.610
  569   HD12  LEU 823          HD12      LEU 823  -9.660 -21.942   8.947
  570   HD13  LEU 823          HD13      LEU 823  -9.798 -20.638  10.137
  571   HD21  LEU 823          HD21      LEU 823 -12.746 -20.155  10.233
  572   HD22  LEU 823          HD22      LEU 823 -11.690 -20.477  11.620
  573   HD23  LEU 823          HD23      LEU 823 -13.151 -21.453  11.371
  574    H    PHE 824           H        PHE 824 -12.475 -21.590   6.638
  575    HA   PHE 824           HA       PHE 824  -9.828 -21.350   5.291
  576    HB2  PHE 824           HB2      PHE 824 -11.543 -22.413   3.777
  577    HB3  PHE 824           HB3      PHE 824 -12.525 -20.971   3.927
  578    HD1  PHE 824           HD2      PHE 824 -11.676 -18.774   2.971
  579    HD2  PHE 824           HD1      PHE 824  -9.582 -22.507   2.400
  580    HE1  PHE 824           HE2      PHE 824 -10.280 -17.729   1.204
  581    HE2  PHE 824           HE1      PHE 824  -8.194 -21.455   0.644
  582    HZ   PHE 824           HZ       PHE 824  -8.516 -19.054   0.070
  583    H    LYS 825           H        LYS 825  -9.044 -19.613   6.311
  584    HA   LYS 825           HA       LYS 825 -10.403 -16.988   6.099
  585    HB2  LYS 825           HB2      LYS 825  -9.483 -18.267   8.716
  586    HB3  LYS 825           HB3      LYS 825  -9.776 -16.543   8.561
  587    HG2  LYS 825           HG2      LYS 825 -11.915 -18.671   8.212
  588    HG3  LYS 825           HG3      LYS 825 -11.603 -17.699   9.652
  589    HD2  LYS 825           HD2      LYS 825 -12.125 -15.623   8.379
  590    HD3  LYS 825           HD3      LYS 825 -12.426 -16.593   6.931
  591    HE2  LYS 825           HE2      LYS 825 -14.558 -16.104   7.857
  592    HE3  LYS 825           HE3      LYS 825 -14.243 -17.815   8.140
  593    HZ1  LYS 825           HZ1      LYS 825 -13.918 -15.647  10.153
  594    HZ2  LYS 825           HZ2      LYS 825 -13.644 -17.234  10.442
  595    HZ3  LYS 825           HZ3      LYS 825 -15.149 -16.710  10.099
  596    H    TRP 826           H        TRP 826  -8.097 -18.194   4.739
  597    HA   TRP 826           HA       TRP 826  -5.621 -17.348   5.803
  598    HB2  TRP 826           HB2      TRP 826  -6.484 -17.822   2.925
  599    HB3  TRP 826           HB3      TRP 826  -4.820 -17.584   3.428
  600    HD1  TRP 826           HD1      TRP 826  -7.325 -20.228   2.991
  601    HE1  TRP 826           HE1      TRP 826  -6.507 -22.488   3.909
  602    HE3  TRP 826           HE3      TRP 826  -3.201 -18.606   5.505
  603    HZ2  TRP 826           HZ2      TRP 826  -4.329 -23.455   5.550
  604    HZ3  TRP 826           HZ3      TRP 826  -1.798 -20.204   6.796
  605    HH2  TRP 826           HH2      TRP 826  -2.365 -22.618   6.843
  606    H    GLU 827           H        GLU 827  -4.291 -15.652   5.551
  607    HA   GLU 827           HA       GLU 827  -5.113 -13.224   4.022
  608    HB2  GLU 827           HB2      GLU 827  -5.521 -12.931   6.457
  609    HB3  GLU 827           HB3      GLU 827  -3.863 -13.425   6.803
  610    HG2  GLU 827           HG2      GLU 827  -3.950 -11.036   6.962
  611    HG3  GLU 827           HG3      GLU 827  -3.005 -11.431   5.555
  612    H    ARG 828           H        ARG 828  -3.385 -12.260   2.899
  613    HA   ARG 828           HA       ARG 828  -1.018 -13.889   2.456
  614    HB2  ARG 828           HB2      ARG 828  -2.180 -12.534   0.689
  615    HB3  ARG 828           HB3      ARG 828  -1.578 -11.060   1.475
  616    HG2  ARG 828           HG2      ARG 828   0.736 -11.764   1.123
  617    HG3  ARG 828           HG3      ARG 828   0.209 -13.333   0.475
  618    HD2  ARG 828           HD2      ARG 828  -0.800 -12.252  -1.454
  619    HD3  ARG 828           HD3      ARG 828  -0.477 -10.651  -0.765
  620    HE   ARG 828           HE       ARG 828   1.935 -12.208  -0.935
  621   HH11  ARG 828          HH11      ARG 828  -0.196 -10.323  -3.057
  622   HH12  ARG 828          HH12      ARG 828   1.109  -9.909  -4.133
  623   HH21  ARG 828          HH21      ARG 828   3.543 -11.606  -2.346
  624   HH22  ARG 828          HH22      ARG 828   3.176 -10.638  -3.757
  625    H    VAL 829           H        VAL 829   1.011 -13.650   3.174
  626    HA   VAL 829           HA       VAL 829   1.708 -11.366   4.965
  627    HB   VAL 829           HB       VAL 829   2.888 -12.876   6.523
  628   HG11  VAL 829          HG11      VAL 829  -0.082 -13.462   6.343
  629   HG12  VAL 829          HG12      VAL 829   0.963 -13.542   7.783
  630   HG13  VAL 829          HG13      VAL 829   0.641 -11.985   7.027
  631   HG21  VAL 829          HG21      VAL 829   2.429 -15.272   6.590
  632   HG22  VAL 829          HG22      VAL 829   1.420 -15.152   5.136
  633   HG23  VAL 829          HG23      VAL 829   3.171 -14.860   5.043
  634    H    GLY 830           H        GLY 830   4.178 -11.602   5.561
  635    HA2  GLY 830           HA2      GLY 830   5.545 -11.127   3.075
  636    HA3  GLY 830           HA3      GLY 830   6.197 -10.931   4.690
  637    H    MET 831           H        MET 831   8.075 -11.626   3.409
  638    HA   MET 831           HA       MET 831   8.397 -14.248   2.337
  639    HB2  MET 831           HB2      MET 831   9.662 -12.175   1.743
  640    HB3  MET 831           HB3      MET 831  10.494 -12.256   3.301
  641    HG2  MET 831           HG2      MET 831  11.481 -14.428   2.648
  642    HG3  MET 831           HG3      MET 831  10.604 -14.377   1.109
  643    HE1  MET 831           HE1      MET 831  14.403 -13.827   0.156
  644    HE2  MET 831           HE2      MET 831  13.731 -14.852   1.440
  645    HE3  MET 831           HE3      MET 831  12.940 -14.791  -0.157
  646    H    LEU 832           H        LEU 832   9.527 -16.071   3.101
  647    HA   LEU 832           HA       LEU 832   9.434 -16.638   5.949
  648    HB2  LEU 832           HB2      LEU 832  10.391 -18.126   3.478
  649    HB3  LEU 832           HB3      LEU 832  10.752 -18.725   5.086
  650    HG   LEU 832           HG       LEU 832   8.415 -18.961   5.636
  651   HD11  LEU 832          HD11      LEU 832   7.820 -17.843   2.880
  652   HD12  LEU 832          HD12      LEU 832   7.306 -17.171   4.444
  653   HD13  LEU 832          HD13      LEU 832   6.634 -18.705   3.891
  654   HD21  LEU 832          HD21      LEU 832   7.856 -20.786   4.086
  655   HD22  LEU 832          HD22      LEU 832   9.580 -20.806   4.503
  656   HD23  LEU 832          HD23      LEU 832   9.049 -20.182   2.920
  657    H    LYS 833           H        LYS 833  10.909 -16.227   7.435
  658    HA   LYS 833           HA       LYS 833  13.534 -15.126   6.670
  659    HB2  LYS 833           HB2      LYS 833  13.628 -14.346   8.955
  660    HB3  LYS 833           HB3      LYS 833  12.044 -13.975   8.283
  661    HG2  LYS 833           HG2      LYS 833  11.068 -15.951   9.484
  662    HG3  LYS 833           HG3      LYS 833  12.665 -16.334  10.143
  663    HD2  LYS 833           HD2      LYS 833  12.714 -14.097  11.250
  664    HD3  LYS 833           HD3      LYS 833  11.086 -13.771  10.632
  665    HE2  LYS 833           HE2      LYS 833  10.218 -15.738  11.858
  666    HE3  LYS 833           HE3      LYS 833  11.853 -16.120  12.414
  667    HZ1  LYS 833           HZ1      LYS 833  10.393 -13.615  13.054
  668    HZ2  LYS 833           HZ2      LYS 833  11.839 -14.047  13.667
  669    HZ3  LYS 833           HZ3      LYS 833  10.506 -14.903  14.064
  670    H    GLU 834           H        GLU 834  12.603 -18.155   7.061
  671    HA   GLU 834           HA       GLU 834  15.187 -19.323   7.617
  672    HB2  GLU 834           HB2      GLU 834  14.614 -20.509   9.668
  673    HB3  GLU 834           HB3      GLU 834  14.535 -18.768   9.925
  674    HG2  GLU 834           HG2      GLU 834  11.995 -18.938   9.592
  675    HG3  GLU 834           HG3      GLU 834  12.203 -20.688   9.586
  676    H    LYS 835           H        LYS 835  15.212 -21.609   7.144
  677    HA   LYS 835           HA       LYS 835  13.387 -22.336   5.062
  678    HB2  LYS 835           HB2      LYS 835  15.662 -23.716   6.502
  679    HB3  LYS 835           HB3      LYS 835  14.643 -24.626   5.396
  680    HG2  LYS 835           HG2      LYS 835  16.602 -23.886   4.240
  681    HG3  LYS 835           HG3      LYS 835  15.163 -23.142   3.542
  682    HD2  LYS 835           HD2      LYS 835  15.687 -21.000   4.619
  683    HD3  LYS 835           HD3      LYS 835  17.077 -21.739   5.465
  684    HE2  LYS 835           HE2      LYS 835  18.125 -22.256   3.264
  685    HE3  LYS 835           HE3      LYS 835  16.726 -21.557   2.429
  686    HZ1  LYS 835           HZ1      LYS 835  18.558 -19.979   2.595
  687    HZ2  LYS 835           HZ2      LYS 835  18.542 -20.046   4.227
  688    HZ3  LYS 835           HZ3      LYS 835  17.270 -19.416   3.417
  689    H    THR 836           H        THR 836  13.235 -22.958   8.456
  690    HA   THR 836           HA       THR 836  11.195 -25.035   8.459
  691    HB   THR 836           HB       THR 836  11.929 -22.975  10.580
  692    HG1  THR 836           HG1      THR 836  12.950 -25.592  10.143
  693   HG21  THR 836          HG21      THR 836  11.268 -24.812  12.184
  694   HG22  THR 836          HG22      THR 836  10.573 -25.688  10.798
  695   HG23  THR 836          HG23      THR 836   9.922 -24.106  11.282
  696    H    GLY 837           H        GLY 837  11.112 -21.592   7.943
  697    HA2  GLY 837           HA2      GLY 837   9.389 -20.142   7.490
  698    HA3  GLY 837           HA3      GLY 837   8.200 -21.455   7.677
  699    HA   PRO 838           HA       PRO 838   7.946 -18.516  11.381
  700    HB2  PRO 838           HB2      PRO 838   5.095 -18.540  10.437
  701    HB3  PRO 838           HB3      PRO 838   6.035 -17.201  11.150
  702    HG2  PRO 838           HG2      PRO 838   5.567 -17.297   8.471
  703    HG3  PRO 838           HG3      PRO 838   7.173 -16.802   9.097
  704    HD2  PRO 838           HD2      PRO 838   6.327 -19.495   8.011
  705    HD3  PRO 838           HD3      PRO 838   7.829 -18.548   7.711
  706    H    LYS 839           H        LYS 839   6.953 -19.094  13.373
  707    HA   LYS 839           HA       LYS 839   5.481 -21.638  13.590
  708    HB2  LYS 839           HB2      LYS 839   7.218 -22.737  14.926
  709    HB3  LYS 839           HB3      LYS 839   7.754 -22.412  13.281
  710    HG2  LYS 839           HG2      LYS 839   9.015 -20.404  14.104
  711    HG3  LYS 839           HG3      LYS 839   8.539 -20.821  15.763
  712    HD2  LYS 839           HD2      LYS 839   9.636 -23.060  15.449
  713    HD3  LYS 839           HD3      LYS 839  10.202 -22.545  13.855
  714    HE2  LYS 839           HE2      LYS 839  10.872 -21.174  16.506
  715    HE3  LYS 839           HE3      LYS 839  11.915 -22.335  15.680
  716    HZ1  LYS 839           HZ1      LYS 839  12.560 -20.059  15.177
  717    HZ2  LYS 839           HZ2      LYS 839  11.100 -19.710  14.558
  718    HZ3  LYS 839           HZ3      LYS 839  12.073 -20.790  13.800
  719    H    LEU 840           H        LEU 840   4.797 -22.187  15.705
  720    HA   LEU 840           HA       LEU 840   3.793 -19.845  17.095
  721    HB2  LEU 840           HB2      LEU 840   3.449 -22.814  17.716
  722    HB3  LEU 840           HB3      LEU 840   2.473 -21.490  18.360
  723    HG   LEU 840           HG       LEU 840   2.574 -22.392  15.442
  724   HD11  LEU 840          HD11      LEU 840   1.424 -23.971  16.954
  725   HD12  LEU 840          HD12      LEU 840   0.281 -23.171  15.853
  726   HD13  LEU 840          HD13      LEU 840   0.391 -22.663  17.553
  727   HD21  LEU 840          HD21      LEU 840   0.859 -20.249  16.773
  728   HD22  LEU 840          HD22      LEU 840   0.664 -20.852  15.110
  729   HD23  LEU 840          HD23      LEU 840   2.123 -19.961  15.564
  730    H    GLY 841           H        GLY 841   6.529 -21.869  17.680
  731    HA2  GLY 841           HA2      GLY 841   7.435 -20.350  19.930
  732    HA3  GLY 841           HA3      GLY 841   6.727 -21.834  20.501
  733    H    GLY 842           H        GLY 842   8.986 -22.039  21.306
  734    HA2  GLY 842           HA2      GLY 842  10.483 -24.014  19.855
  735    HA3  GLY 842           HA3      GLY 842  11.321 -22.460  19.796
  Start of MODEL    8
    1    H1   GLY  -4           H1       GLY  -4  24.491   5.725   0.572
    2    H2   GLY  -4           H2       GLY  -4  26.067   6.167   0.703
    3    H3   GLY  -4           H3       GLY  -4  25.037   6.453   1.942
    4    HA2  GLY  -4           HA2      GLY  -4  26.420   4.595   2.494
    5    HA3  GLY  -4           HA3      GLY  -4  24.723   4.096   2.304
    6    HA   PRO  -3           HA       PRO  -3  27.470   1.245  -0.206
    7    HB2  PRO  -3           HB2      PRO  -3  25.514  -0.689   1.043
    8    HB3  PRO  -3           HB3      PRO  -3  27.266  -0.894   0.733
    9    HG2  PRO  -3           HG2      PRO  -3  26.379  -0.349   3.234
   10    HG3  PRO  -3           HG3      PRO  -3  27.817   0.507   2.590
   11    HD2  PRO  -3           HD2      PRO  -3  24.963   1.506   2.713
   12    HD3  PRO  -3           HD3      PRO  -3  26.481   2.335   3.183
   13    H    MET  -2           H        MET  -2  26.943   0.068  -2.101
   14    HA   MET  -2           HA       MET  -2  24.365   0.805  -3.369
   15    HB2  MET  -2           HB2      MET  -2  26.894  -0.487  -4.465
   16    HB3  MET  -2           HB3      MET  -2  25.465  -0.158  -5.425
   17    HG2  MET  -2           HG2      MET  -2  27.164   1.916  -3.964
   18    HG3  MET  -2           HG3      MET  -2  27.200   1.599  -5.684
   19    HE1  MET  -2           HE1      MET  -2  25.332   2.285  -7.391
   20    HE2  MET  -2           HE2      MET  -2  24.088   1.361  -6.517
   21    HE3  MET  -2           HE3      MET  -2  23.801   3.054  -6.946
   22    H    GLY  -1           H        GLY  -1  22.911  -0.643  -4.245
   23    HA2  GLY  -1           HA2      GLY  -1  23.100  -3.417  -4.481
   24    HA3  GLY  -1           HA3      GLY  -1  22.488  -3.145  -2.868
   25    H    MET 755           H        MET 755  20.980  -4.548  -4.573
   26    HA   MET 755           HA       MET 755  18.922  -2.809  -5.828
   27    HB2  MET 755           HB2      MET 755  19.368  -5.822  -5.869
   28    HB3  MET 755           HB3      MET 755  18.022  -5.009  -6.659
   29    HG2  MET 755           HG2      MET 755  20.969  -4.548  -7.272
   30    HG3  MET 755           HG3      MET 755  19.862  -5.515  -8.233
   31    HE1  MET 755           HE1      MET 755  17.532  -2.884  -9.903
   32    HE2  MET 755           HE2      MET 755  18.004  -4.597  -9.796
   33    HE3  MET 755           HE3      MET 755  17.191  -3.792  -8.427
   34    H    GLN 756           H        GLN 756  16.737  -2.963  -5.375
   35    HA   GLN 756           HA       GLN 756  15.926  -4.125  -2.745
   36    HB2  GLN 756           HB2      GLN 756  14.011  -2.671  -2.834
   37    HB3  GLN 756           HB3      GLN 756  15.480  -1.717  -3.009
   38    HG2  GLN 756           HG2      GLN 756  15.079  -1.581  -5.478
   39    HG3  GLN 756           HG3      GLN 756  13.587  -2.505  -5.262
   40   HE21  GLN 756          HE21      GLN 756  11.910  -1.459  -3.701
   41   HE22  GLN 756          HE22      GLN 756  11.835   0.295  -3.723
   42    H    SER 757           H        SER 757  13.643  -5.083  -2.779
   43    HA   SER 757           HA       SER 757  12.726  -6.243  -5.286
   44    HB2  SER 757           HB2      SER 757  14.713  -7.669  -4.546
   45    HB3  SER 757           HB3      SER 757  13.708  -8.199  -3.194
   46    HG   SER 757           HG       SER 757  13.596  -9.596  -5.054
   47    H    ILE 758           H        ILE 758  11.090  -8.142  -4.588
   48    HA   ILE 758           HA       ILE 758   9.052  -6.764  -2.862
   49    HB   ILE 758           HB       ILE 758   8.533  -8.688  -5.150
   50   HG12  ILE 758          HG12      ILE 758   9.661  -6.841  -6.214
   51   HG13  ILE 758          HG13      ILE 758   7.951  -6.780  -6.585
   52   HG21  ILE 758          HG21      ILE 758   6.726  -6.742  -3.672
   53   HG22  ILE 758          HG22      ILE 758   6.277  -7.560  -5.175
   54   HG23  ILE 758          HG23      ILE 758   6.601  -8.511  -3.734
   55   HD11  ILE 758          HD11      ILE 758   8.838  -4.540  -6.162
   56   HD12  ILE 758          HD12      ILE 758   7.641  -4.951  -4.921
   57   HD13  ILE 758          HD13      ILE 758   9.381  -5.020  -4.547
   58    H    ARG 759           H        ARG 759   7.539  -8.140  -1.702
   59    HA   ARG 759           HA       ARG 759   8.807 -10.217  -0.226
   60    HB2  ARG 759           HB2      ARG 759   6.771 -10.261   1.082
   61    HB3  ARG 759           HB3      ARG 759   7.294  -8.597   0.771
   62    HG2  ARG 759           HG2      ARG 759   5.592  -8.609  -1.203
   63    HG3  ARG 759           HG3      ARG 759   4.959 -10.099  -0.487
   64    HD2  ARG 759           HD2      ARG 759   4.429  -8.896   1.589
   65    HD3  ARG 759           HD3      ARG 759   5.232  -7.439   0.970
   66    HE   ARG 759           HE       ARG 759   3.160  -8.336  -0.830
   67   HH11  ARG 759          HH11      ARG 759   3.570  -6.579   2.221
   68   HH12  ARG 759          HH12      ARG 759   2.130  -5.637   1.985
   69   HH21  ARG 759          HH21      ARG 759   1.330  -7.060  -1.080
   70   HH22  ARG 759          HH22      ARG 759   0.859  -5.929   0.157
   71    H    GLU 760           H        GLU 760   8.337 -10.934  -3.067
   72    HA   GLU 760           HA       GLU 760   7.334 -13.666  -2.667
   73    HB2  GLU 760           HB2      GLU 760   6.053 -13.647  -4.777
   74    HB3  GLU 760           HB3      GLU 760   5.324 -12.665  -3.504
   75    HG2  GLU 760           HG2      GLU 760   6.115 -10.612  -4.590
   76    HG3  GLU 760           HG3      GLU 760   7.007 -11.552  -5.793
   77    H    GLN 761           H        GLN 761   8.130 -15.134  -4.373
   78    HA   GLN 761           HA       GLN 761  10.567 -14.127  -5.742
   79    HB2  GLN 761           HB2      GLN 761  11.950 -15.808  -4.682
   80    HB3  GLN 761           HB3      GLN 761  11.197 -14.781  -3.454
   81    HG2  GLN 761           HG2      GLN 761   9.428 -16.600  -3.161
   82    HG3  GLN 761           HG3      GLN 761  10.390 -17.621  -4.231
   83   HE21  GLN 761          HE21      GLN 761  10.535 -15.825  -1.107
   84   HE22  GLN 761          HE22      GLN 761  11.735 -16.904  -0.405
   85    H    SER 762           H        SER 762  11.229 -15.238  -7.546
   86    HA   SER 762           HA       SER 762   9.266 -16.957  -8.802
   87    HB2  SER 762           HB2      SER 762  10.951 -17.055 -10.653
   88    HB3  SER 762           HB3      SER 762  10.422 -15.434 -10.222
   89    HG   SER 762           HG       SER 762  12.718 -15.560 -10.492
   90    H    CYS 763           H        CYS 763   9.520 -19.051  -9.575
   91    HA   CYS 763           HA       CYS 763  11.542 -20.876  -8.463
   92    HB2  CYS 763           HB2      CYS 763   9.953 -20.355  -6.582
   93    HB3  CYS 763           HB3      CYS 763   8.627 -21.008  -7.556
   94    HG   CYS 763           HG       CYS 763   9.477 -23.445  -7.724
   95    H    ARG 764           H        ARG 764  11.123 -23.120  -9.213
   96    HA   ARG 764           HA       ARG 764   9.742 -23.223 -11.829
   97    HB2  ARG 764           HB2      ARG 764  12.073 -24.183 -11.407
   98    HB3  ARG 764           HB3      ARG 764  11.261 -25.511 -10.564
   99    HG2  ARG 764           HG2      ARG 764   9.924 -25.982 -12.603
  100    HG3  ARG 764           HG3      ARG 764  10.657 -24.596 -13.432
  101    HD2  ARG 764           HD2      ARG 764  12.149 -27.044 -12.432
  102    HD3  ARG 764           HD3      ARG 764  11.627 -26.803 -14.103
  103    HE   ARG 764           HE       ARG 764  13.935 -25.630 -12.800
  104   HH11  ARG 764          HH11      ARG 764  11.700 -25.103 -15.487
  105   HH12  ARG 764          HH12      ARG 764  12.777 -23.996 -16.282
  106   HH21  ARG 764          HH21      ARG 764  15.296 -24.251 -13.900
  107   HH22  ARG 764          HH22      ARG 764  14.799 -23.545 -15.413
  108    H    VAL 765           H        VAL 765   7.999 -24.528 -12.240
  109    HA   VAL 765           HA       VAL 765   6.480 -25.761  -9.990
  110    HB   VAL 765           HB       VAL 765   4.429 -24.522 -10.787
  111   HG11  VAL 765          HG11      VAL 765   5.559 -23.882  -8.696
  112   HG12  VAL 765          HG12      VAL 765   6.600 -22.758  -9.597
  113   HG13  VAL 765          HG13      VAL 765   4.853 -22.489  -9.528
  114   HG21  VAL 765          HG21      VAL 765   4.623 -22.459 -12.012
  115   HG22  VAL 765          HG22      VAL 765   6.387 -22.579 -12.078
  116   HG23  VAL 765          HG23      VAL 765   5.391 -23.733 -12.974
  117    H    VAL 766           H        VAL 766   4.529 -26.887 -10.748
  118    HA   VAL 766           HA       VAL 766   4.739 -27.996 -13.509
  119    HB   VAL 766           HB       VAL 766   5.918 -29.508 -12.030
  120   HG11  VAL 766          HG11      VAL 766   3.388 -29.752 -10.342
  121   HG12  VAL 766          HG12      VAL 766   4.842 -30.736 -10.220
  122   HG13  VAL 766          HG13      VAL 766   4.943 -29.021  -9.858
  123   HG21  VAL 766          HG21      VAL 766   4.566 -30.465 -13.874
  124   HG22  VAL 766          HG22      VAL 766   4.781 -31.596 -12.523
  125   HG23  VAL 766          HG23      VAL 766   3.231 -30.753 -12.724
  126    H    THR 767           H        THR 767   2.880 -28.376 -14.516
  127    HA   THR 767           HA       THR 767   0.282 -28.162 -13.024
  128    HB   THR 767           HB       THR 767   0.826 -27.802 -16.000
  129    HG1  THR 767           HG1      THR 767   0.444 -25.623 -15.524
  130   HG21  THR 767          HG21      THR 767  -1.485 -28.611 -15.527
  131   HG22  THR 767          HG22      THR 767  -1.490 -26.919 -16.053
  132   HG23  THR 767          HG23      THR 767  -1.695 -27.313 -14.338
  133    H    CYS 768           H        CYS 768  -0.519 -30.141 -12.606
  134    HA   CYS 768           HA       CYS 768   0.116 -32.520 -14.232
  135    HB2  CYS 768           HB2      CYS 768  -0.227 -32.721 -11.793
  136    HB3  CYS 768           HB3      CYS 768  -1.886 -32.143 -11.984
  137    H    LYS 769           H        LYS 769  -0.828 -32.846 -16.112
  138    HA   LYS 769           HA       LYS 769  -3.113 -31.269 -17.057
  139    HB2  LYS 769           HB2      LYS 769  -1.682 -33.631 -18.360
  140    HB3  LYS 769           HB3      LYS 769  -2.718 -32.468 -19.175
  141    HG2  LYS 769           HG2      LYS 769   0.033 -31.965 -17.962
  142    HG3  LYS 769           HG3      LYS 769  -0.347 -32.041 -19.657
  143    HD2  LYS 769           HD2      LYS 769  -1.508 -29.869 -17.848
  144    HD3  LYS 769           HD3      LYS 769   0.049 -29.756 -18.626
  145    HE2  LYS 769           HE2      LYS 769  -1.358 -28.581 -20.060
  146    HE3  LYS 769           HE3      LYS 769  -1.050 -30.120 -20.863
  147    HZ1  LYS 769           HZ1      LYS 769  -3.375 -29.460 -20.977
  148    HZ2  LYS 769           HZ2      LYS 769  -3.511 -29.424 -19.356
  149    HZ3  LYS 769           HZ3      LYS 769  -3.257 -30.849 -20.139
  150    H    THR 770           H        THR 770  -2.704 -34.353 -15.504
  151    HA   THR 770           HA       THR 770  -5.232 -35.506 -16.446
  152    HB   THR 770           HB       THR 770  -3.413 -36.428 -14.200
  153    HG1  THR 770           HG1      THR 770  -3.494 -37.184 -16.949
  154   HG21  THR 770          HG21      THR 770  -4.370 -38.654 -14.727
  155   HG22  THR 770          HG22      THR 770  -5.506 -37.891 -15.864
  156   HG23  THR 770          HG23      THR 770  -5.590 -37.521 -14.127
  157    H    CYS 771           H        CYS 771  -4.115 -33.958 -13.387
  158    HA   CYS 771           HA       CYS 771  -6.872 -34.103 -12.295
  159    HB2  CYS 771           HB2      CYS 771  -4.250 -33.186 -11.067
  160    HB3  CYS 771           HB3      CYS 771  -5.770 -33.358 -10.203
  161    H    LYS 772           H        LYS 772  -4.764 -31.767 -13.764
  162    HA   LYS 772           HA       LYS 772  -4.997 -29.650 -14.430
  163    HB2  LYS 772           HB2      LYS 772  -7.929 -29.830 -13.631
  164    HB3  LYS 772           HB3      LYS 772  -7.182 -28.572 -14.590
  165    HG2  LYS 772           HG2      LYS 772  -8.042 -29.793 -16.266
  166    HG3  LYS 772           HG3      LYS 772  -6.429 -30.507 -16.194
  167    HD2  LYS 772           HD2      LYS 772  -7.377 -32.393 -14.851
  168    HD3  LYS 772           HD3      LYS 772  -8.978 -31.648 -14.953
  169    HE2  LYS 772           HE2      LYS 772  -8.939 -31.906 -17.410
  170    HE3  LYS 772           HE3      LYS 772  -7.282 -32.523 -17.336
  171    HZ1  LYS 772           HZ1      LYS 772  -9.656 -33.841 -16.158
  172    HZ2  LYS 772           HZ2      LYS 772  -8.129 -34.380 -15.978
  173    HZ3  LYS 772           HZ3      LYS 772  -8.837 -34.354 -17.463
  174    H    TYR 773           H        TYR 773  -3.925 -30.062 -11.872
  175    HA   TYR 773           HA       TYR 773  -4.465 -27.393 -10.618
  176    HB2  TYR 773           HB2      TYR 773  -3.778 -28.147  -8.507
  177    HB3  TYR 773           HB3      TYR 773  -4.938 -29.321  -9.079
  178    HD1  TYR 773           HD2      TYR 773  -1.325 -28.658  -8.367
  179    HD2  TYR 773           HD1      TYR 773  -4.274 -31.627  -9.412
  180    HE1  TYR 773           HE2      TYR 773   0.344 -30.453  -7.950
  181    HE2  TYR 773           HE1      TYR 773  -2.636 -33.429  -8.893
  182    HH   TYR 773           HH       TYR 773  -0.450 -33.930  -8.365
  183    H    THR 774           H        THR 774  -2.637 -26.239  -9.824
  184    HA   THR 774           HA       THR 774  -0.005 -26.850 -11.119
  185    HB   THR 774           HB       THR 774  -1.129 -24.083 -10.538
  186    HG1  THR 774           HG1      THR 774  -1.435 -24.011 -12.797
  187   HG21  THR 774          HG21      THR 774   0.693 -23.359 -12.086
  188   HG22  THR 774          HG22      THR 774   1.267 -25.031 -12.191
  189   HG23  THR 774          HG23      THR 774   1.341 -24.144 -10.649
  190    H    HIS 775           H        HIS 775   1.710 -26.932  -9.752
  191    HA   HIS 775           HA       HIS 775   1.874 -25.406  -7.315
  192    HB2  HIS 775           HB2      HIS 775   0.799 -28.111  -7.139
  193    HB3  HIS 775           HB3      HIS 775   2.279 -27.988  -6.228
  194    HD1  HIS 775           HD1      HIS 775   2.281 -25.811  -4.340
  195    HD2  HIS 775           HD2      HIS 775  -1.343 -27.114  -6.026
  196    HE1  HIS 775           HE1      HIS 775   0.446 -24.912  -2.841
  197    H    PHE 776           H        PHE 776   3.950 -26.391  -6.005
  198    HA   PHE 776           HA       PHE 776   6.140 -25.822  -7.737
  199    HB2  PHE 776           HB2      PHE 776   6.571 -27.050  -5.047
  200    HB3  PHE 776           HB3      PHE 776   7.405 -25.715  -5.816
  201    HD1  PHE 776           HD2      PHE 776   6.030 -23.417  -6.012
  202    HD2  PHE 776           HD1      PHE 776   4.949 -26.703  -3.413
  203    HE1  PHE 776           HE2      PHE 776   4.544 -21.921  -4.710
  204    HE2  PHE 776           HE1      PHE 776   3.495 -25.177  -2.097
  205    HZ   PHE 776           HZ       PHE 776   3.272 -22.799  -2.780
  206    H    LYS 777           H        LYS 777   4.775 -28.870  -6.672
  207    HA   LYS 777           HA       LYS 777   6.524 -30.443  -8.416
  208    HB2  LYS 777           HB2      LYS 777   7.422 -31.856  -6.625
  209    HB3  LYS 777           HB3      LYS 777   7.895 -30.180  -6.389
  210    HG2  LYS 777           HG2      LYS 777   6.064 -29.932  -4.667
  211    HG3  LYS 777           HG3      LYS 777   5.659 -31.655  -4.900
  212    HD2  LYS 777           HD2      LYS 777   7.989 -32.263  -4.275
  213    HD3  LYS 777           HD3      LYS 777   8.339 -30.541  -3.996
  214    HE2  LYS 777           HE2      LYS 777   6.559 -30.463  -2.257
  215    HE3  LYS 777           HE3      LYS 777   6.198 -32.172  -2.543
  216    HZ1  LYS 777           HZ1      LYS 777   8.446 -32.707  -1.795
  217    HZ2  LYS 777           HZ2      LYS 777   7.658 -31.879  -0.639
  218    HZ3  LYS 777           HZ3      LYS 777   8.785 -31.125  -1.553
  219    HA   PRO 778           HA       PRO 778   2.825 -32.934  -8.453
  220    HB2  PRO 778           HB2      PRO 778   3.627 -35.255  -9.586
  221    HB3  PRO 778           HB3      PRO 778   3.712 -33.712 -10.474
  222    HG2  PRO 778           HG2      PRO 778   5.937 -35.142  -8.980
  223    HG3  PRO 778           HG3      PRO 778   5.985 -34.444 -10.624
  224    HD2  PRO 778           HD2      PRO 778   6.893 -33.142  -8.363
  225    HD3  PRO 778           HD3      PRO 778   6.249 -32.288  -9.795
  226    H    LYS 779           H        LYS 779   1.765 -34.805  -7.486
  227    HA   LYS 779           HA       LYS 779   2.835 -35.554  -4.870
  228    HB2  LYS 779           HB2      LYS 779   0.342 -36.369  -6.404
  229    HB3  LYS 779           HB3      LYS 779   0.713 -36.914  -4.768
  230    HG2  LYS 779           HG2      LYS 779   0.747 -34.576  -3.957
  231    HG3  LYS 779           HG3      LYS 779   0.329 -34.016  -5.578
  232    HD2  LYS 779           HD2      LYS 779  -1.396 -35.856  -3.879
  233    HD3  LYS 779           HD3      LYS 779  -1.622 -34.114  -4.050
  234    HE2  LYS 779           HE2      LYS 779  -1.978 -34.388  -6.492
  235    HE3  LYS 779           HE3      LYS 779  -1.747 -36.139  -6.336
  236    HZ1  LYS 779           HZ1      LYS 779  -4.096 -35.531  -6.345
  237    HZ2  LYS 779           HZ2      LYS 779  -3.916 -34.596  -5.023
  238    HZ3  LYS 779           HZ3      LYS 779  -3.708 -36.220  -4.921
  239    H    GLU 780           H        GLU 780   3.114 -37.692  -4.097
  240    HA   GLU 780           HA       GLU 780   4.658 -39.430  -5.764
  241    HB2  GLU 780           HB2      GLU 780   3.212 -40.001  -3.136
  242    HB3  GLU 780           HB3      GLU 780   4.378 -41.087  -3.888
  243    HG2  GLU 780           HG2      GLU 780   5.006 -38.265  -2.923
  244    HG3  GLU 780           HG3      GLU 780   5.350 -39.733  -2.037
  245    H    THR 781           H        THR 781   1.175 -39.369  -5.036
  246    HA   THR 781           HA       THR 781   0.495 -41.844  -6.382
  247    HB   THR 781           HB       THR 781  -1.806 -40.768  -6.458
  248    HG1  THR 781           HG1      THR 781  -2.018 -38.892  -5.192
  249   HG21  THR 781          HG21      THR 781  -1.074 -42.249  -4.584
  250   HG22  THR 781          HG22      THR 781  -2.171 -40.977  -4.038
  251   HG23  THR 781          HG23      THR 781  -0.428 -40.835  -3.729
  252    H    CYS 782           H        CYS 782   0.673 -38.432  -7.486
  253    HA   CYS 782           HA       CYS 782  -0.232 -38.959 -10.142
  254    HB2  CYS 782           HB2      CYS 782   1.542 -36.748  -8.958
  255    HB3  CYS 782           HB3      CYS 782   0.965 -36.765 -10.618
  256    H    VAL 783           H        VAL 783   3.036 -38.962  -8.735
  257    HA   VAL 783           HA       VAL 783   4.395 -39.700 -11.177
  258    HB   VAL 783           HB       VAL 783   5.223 -40.042  -8.278
  259   HG11  VAL 783          HG11      VAL 783   7.552 -40.293  -9.158
  260   HG12  VAL 783          HG12      VAL 783   6.535 -41.657  -9.610
  261   HG13  VAL 783          HG13      VAL 783   6.900 -40.400 -10.812
  262   HG21  VAL 783          HG21      VAL 783   6.653 -38.090  -8.737
  263   HG22  VAL 783          HG22      VAL 783   6.063 -38.011 -10.405
  264   HG23  VAL 783          HG23      VAL 783   4.967 -37.683  -9.056
  265    H    SER 784           H        SER 784   3.069 -41.775  -8.481
  266    HA   SER 784           HA       SER 784   4.011 -44.227  -9.578
  267    HB2  SER 784           HB2      SER 784   1.783 -43.559  -7.605
  268    HB3  SER 784           HB3      SER 784   2.382 -45.172  -7.940
  269    HG   SER 784           HG       SER 784   3.734 -42.989  -6.736
  270    H    GLU 785           H        GLU 785   0.834 -42.561  -9.926
  271    HA   GLU 785           HA       GLU 785  -0.277 -44.694 -11.616
  272    HB2  GLU 785           HB2      GLU 785  -1.269 -41.899 -10.905
  273    HB3  GLU 785           HB3      GLU 785  -2.171 -43.065 -11.863
  274    HG2  GLU 785           HG2      GLU 785  -1.313 -43.513  -8.969
  275    HG3  GLU 785           HG3      GLU 785  -2.909 -42.996  -9.515
  276    H    ASN 786           H        ASN 786   2.000 -42.308 -12.208
  277    HA   ASN 786           HA       ASN 786   2.900 -41.352 -14.025
  278    HB2  ASN 786           HB2      ASN 786   1.733 -43.822 -15.360
  279    HB3  ASN 786           HB3      ASN 786   2.772 -42.667 -16.186
  280   HD21  ASN 786          HD21      ASN 786   2.755 -44.823 -13.273
  281   HD22  ASN 786          HD22      ASN 786   4.490 -45.073 -13.327
  282    H    HIS 787           H        HIS 787   0.861 -39.925 -13.252
  283    HA   HIS 787           HA       HIS 787  -0.978 -39.102 -15.342
  284    HB2  HIS 787           HB2      HIS 787   0.181 -37.676 -12.915
  285    HB3  HIS 787           HB3      HIS 787  -0.986 -36.947 -14.022
  286    HD2  HIS 787           HD2      HIS 787  -1.975 -40.506 -13.621
  287    HE1  HIS 787           HE1      HIS 787  -4.243 -38.501 -10.647
  288    HE2  HIS 787           HE2      HIS 787  -3.956 -40.672 -11.956
  289    H    ASP 788           H        ASP 788  -0.800 -37.249 -16.698
  290    HA   ASP 788           HA       ASP 788   1.948 -36.718 -17.723
  291    HB2  ASP 788           HB2      ASP 788  -0.818 -35.944 -18.718
  292    HB3  ASP 788           HB3      ASP 788   0.691 -35.370 -19.427
  293    H    PHE 789           H        PHE 789   3.016 -34.789 -17.433
  294    HA   PHE 789           HA       PHE 789   1.549 -32.485 -16.326
  295    HB2  PHE 789           HB2      PHE 789   4.026 -32.411 -14.985
  296    HB3  PHE 789           HB3      PHE 789   2.432 -32.549 -14.300
  297    HD1  PHE 789           HD2      PHE 789   1.585 -34.677 -13.446
  298    HD2  PHE 789           HD1      PHE 789   5.523 -34.337 -15.153
  299    HE1  PHE 789           HE2      PHE 789   2.263 -36.769 -12.301
  300    HE2  PHE 789           HE1      PHE 789   6.199 -36.439 -14.018
  301    HZ   PHE 789           HZ       PHE 789   4.564 -37.662 -12.584
  302    H    HIS 790           H        HIS 790   2.387 -30.507 -16.691
  303    HA   HIS 790           HA       HIS 790   4.729 -30.269 -18.580
  304    HB2  HIS 790           HB2      HIS 790   2.286 -28.484 -18.198
  305    HB3  HIS 790           HB3      HIS 790   3.711 -28.032 -19.106
  306    HD1  HIS 790           HD1      HIS 790   1.582 -27.776 -20.974
  307    HD2  HIS 790           HD2      HIS 790   3.107 -31.576 -20.039
  308    HE1  HIS 790           HE1      HIS 790   0.894 -29.312 -22.883
  309    H    TRP 791           H        TRP 791   6.502 -29.427 -17.656
  310    HA   TRP 791           HA       TRP 791   6.316 -27.913 -15.110
  311    HB2  TRP 791           HB2      TRP 791   8.630 -29.139 -16.644
  312    HB3  TRP 791           HB3      TRP 791   8.843 -28.086 -15.251
  313    HD1  TRP 791           HD1      TRP 791   7.433 -31.555 -16.112
  314    HE1  TRP 791           HE1      TRP 791   7.484 -33.027 -14.017
  315    HE3  TRP 791           HE3      TRP 791   8.813 -28.022 -12.673
  316    HZ2  TRP 791           HZ2      TRP 791   8.134 -32.731 -11.221
  317    HZ3  TRP 791           HZ3      TRP 791   9.102 -28.631 -10.291
  318    HH2  TRP 791           HH2      TRP 791   8.797 -30.987  -9.555
  319    H    HIS 792           H        HIS 792   7.122 -25.846 -14.841
  320    HA   HIS 792           HA       HIS 792   8.368 -24.277 -16.933
  321    HB2  HIS 792           HB2      HIS 792   6.601 -22.704 -17.358
  322    HB3  HIS 792           HB3      HIS 792   5.992 -24.289 -17.732
  323    HD1  HIS 792           HD1      HIS 792   5.167 -21.299 -15.668
  324    HD2  HIS 792           HD2      HIS 792   4.272 -25.410 -15.749
  325    HE1  HIS 792           HE1      HIS 792   3.017 -21.585 -14.343
  326    H    ASN 793           H        ASN 793   8.202 -21.762 -16.108
  327    HA   ASN 793           HA       ASN 793   8.879 -21.790 -13.202
  328    HB2  ASN 793           HB2      ASN 793   9.609 -19.875 -15.445
  329    HB3  ASN 793           HB3      ASN 793   9.916 -19.559 -13.736
  330   HD21  ASN 793          HD21      ASN 793  11.223 -21.245 -12.525
  331   HD22  ASN 793          HD22      ASN 793  12.511 -22.042 -13.422
  332    H    GLY 794           H        GLY 794   8.069 -20.233 -11.816
  333    HA2  GLY 794           HA2      GLY 794   5.883 -18.388 -12.575
  334    HA3  GLY 794           HA3      GLY 794   5.457 -19.714 -11.492
  335    H    VAL 795           H        VAL 795   4.937 -18.074  -9.924
  336    HA   VAL 795           HA       VAL 795   7.189 -17.378  -8.177
  337    HB   VAL 795           HB       VAL 795   7.227 -15.390  -9.463
  338   HG11  VAL 795          HG11      VAL 795   4.208 -15.187  -9.121
  339   HG12  VAL 795          HG12      VAL 795   5.251 -13.921  -9.810
  340   HG13  VAL 795          HG13      VAL 795   5.098 -15.480 -10.635
  341   HG21  VAL 795          HG21      VAL 795   7.267 -15.032  -6.963
  342   HG22  VAL 795          HG22      VAL 795   6.720 -13.634  -7.892
  343   HG23  VAL 795          HG23      VAL 795   5.550 -14.643  -7.027
  344    H    LYS 796           H        LYS 796   6.698 -17.313  -6.074
  345    HA   LYS 796           HA       LYS 796   3.944 -18.225  -5.361
  346    HB2  LYS 796           HB2      LYS 796   4.969 -19.635  -3.725
  347    HB3  LYS 796           HB3      LYS 796   5.762 -19.865  -5.282
  348    HG2  LYS 796           HG2      LYS 796   7.435 -17.978  -4.205
  349    HG3  LYS 796           HG3      LYS 796   6.833 -18.740  -2.727
  350    HD2  LYS 796           HD2      LYS 796   8.105 -20.212  -5.058
  351    HD3  LYS 796           HD3      LYS 796   8.966 -19.709  -3.596
  352    HE2  LYS 796           HE2      LYS 796   7.513 -21.112  -2.183
  353    HE3  LYS 796           HE3      LYS 796   6.556 -21.583  -3.591
  354    HZ1  LYS 796           HZ1      LYS 796   8.533 -22.659  -4.514
  355    HZ2  LYS 796           HZ2      LYS 796   8.189 -23.273  -3.032
  356    HZ3  LYS 796           HZ3      LYS 796   9.422 -22.217  -3.222
  357    H    ARG 797           H        ARG 797   2.894 -17.593  -3.593
  358    HA   ARG 797           HA       ARG 797   3.857 -15.235  -2.022
  359    HB2  ARG 797           HB2      ARG 797   1.012 -15.391  -1.919
  360    HB3  ARG 797           HB3      ARG 797   2.013 -14.082  -2.494
  361    HG2  ARG 797           HG2      ARG 797   1.103 -16.397  -4.265
  362    HG3  ARG 797           HG3      ARG 797   0.187 -14.921  -4.044
  363    HD2  ARG 797           HD2      ARG 797   1.842 -13.555  -5.037
  364    HD3  ARG 797           HD3      ARG 797   3.061 -14.831  -5.030
  365    HE   ARG 797           HE       ARG 797   1.061 -15.944  -6.536
  366   HH11  ARG 797          HH11      ARG 797   2.817 -12.861  -6.854
  367   HH12  ARG 797          HH12      ARG 797   2.514 -12.794  -8.566
  368   HH21  ARG 797          HH21      ARG 797   0.824 -15.853  -8.690
  369   HH22  ARG 797          HH22      ARG 797   1.398 -14.478  -9.619
  370    H    PHE 798           H        PHE 798   3.128 -15.130   0.133
  371    HA   PHE 798           HA       PHE 798   2.891 -17.816   1.415
  372    HB2  PHE 798           HB2      PHE 798   4.059 -15.249   2.560
  373    HB3  PHE 798           HB3      PHE 798   4.246 -16.881   3.175
  374    HD1  PHE 798           HD2      PHE 798   5.402 -18.623   1.586
  375    HD2  PHE 798           HD1      PHE 798   5.691 -14.350   1.048
  376    HE1  PHE 798           HE2      PHE 798   7.325 -18.944   0.044
  377    HE2  PHE 798           HE1      PHE 798   7.628 -14.675  -0.460
  378    HZ   PHE 798           HZ       PHE 798   8.421 -16.977  -0.990
  379    H    PHE 799           H        PHE 799   1.449 -18.161   3.108
  380    HA   PHE 799           HA       PHE 799  -0.493 -15.978   3.733
  381    HB2  PHE 799           HB2      PHE 799  -1.212 -18.804   2.914
  382    HB3  PHE 799           HB3      PHE 799  -2.331 -17.525   3.390
  383    HD1  PHE 799           HD1      PHE 799  -0.019 -18.699   0.723
  384    HD2  PHE 799           HD2      PHE 799  -2.976 -15.766   1.842
  385    HE1  PHE 799           HE1      PHE 799  -0.131 -17.917  -1.634
  386    HE2  PHE 799           HE2      PHE 799  -3.081 -14.982  -0.503
  387    HZ   PHE 799           HZ       PHE 799  -1.641 -16.034  -2.249
  388    H    LYS 800           H        LYS 800  -1.635 -16.112   5.575
  389    HA   LYS 800           HA       LYS 800  -0.893 -18.139   7.636
  390    HB2  LYS 800           HB2      LYS 800   0.406 -16.072   7.926
  391    HB3  LYS 800           HB3      LYS 800  -1.076 -15.109   7.885
  392    HG2  LYS 800           HG2      LYS 800  -1.836 -16.159   9.979
  393    HG3  LYS 800           HG3      LYS 800  -0.403 -17.198  10.010
  394    HD2  LYS 800           HD2      LYS 800   1.038 -15.176  10.184
  395    HD3  LYS 800           HD3      LYS 800  -0.408 -14.143  10.099
  396    HE2  LYS 800           HE2      LYS 800  -1.293 -15.267  12.161
  397    HE3  LYS 800           HE3      LYS 800   0.213 -16.199  12.275
  398    HZ1  LYS 800           HZ1      LYS 800   0.039 -13.244  12.419
  399    HZ2  LYS 800           HZ2      LYS 800   1.416 -14.107  12.534
  400    HZ3  LYS 800           HZ3      LYS 800   0.265 -14.242  13.684
  401    H    CYS 801           H        CYS 801  -2.452 -18.795   8.982
  402    HA   CYS 801           HA       CYS 801  -5.287 -17.953   8.565
  403    HB2  CYS 801           HB2      CYS 801  -4.620 -20.353   8.318
  404    HB3  CYS 801           HB3      CYS 801  -3.995 -20.337   9.963
  405    HA   PRO 802           HA       PRO 802  -5.172 -15.714  12.419
  406    HB2  PRO 802           HB2      PRO 802  -7.722 -16.287  13.504
  407    HB3  PRO 802           HB3      PRO 802  -7.306 -15.010  12.320
  408    HG2  PRO 802           HG2      PRO 802  -8.348 -17.800  11.781
  409    HG3  PRO 802           HG3      PRO 802  -8.889 -16.252  11.042
  410    HD2  PRO 802           HD2      PRO 802  -7.212 -17.819   9.694
  411    HD3  PRO 802           HD3      PRO 802  -6.877 -16.078   9.761
  412    H    CYS 803           H        CYS 803  -5.746 -19.227  12.641
  413    HA   CYS 803           HA       CYS 803  -5.276 -19.317  15.518
  414    HB2  CYS 803           HB2      CYS 803  -5.336 -21.677  15.301
  415    HB3  CYS 803           HB3      CYS 803  -6.636 -21.003  14.312
  416    H    GLY 804           H        GLY 804  -3.212 -18.759  12.905
  417    HA2  GLY 804           HA2      GLY 804  -0.909 -18.184  13.222
  418    HA3  GLY 804           HA3      GLY 804  -0.751 -19.461  14.449
  419    H    ASN 805           H        ASN 805  -2.412 -21.142  12.265
  420    HA   ASN 805           HA       ASN 805  -0.178 -22.522  11.173
  421    HB2  ASN 805           HB2      ASN 805  -2.452 -23.465  11.615
  422    HB3  ASN 805           HB3      ASN 805  -3.058 -22.556  10.220
  423   HD21  ASN 805          HD21      ASN 805  -3.664 -24.518   9.108
  424   HD22  ASN 805          HD22      ASN 805  -2.411 -25.544   8.398
  425    H    ARG 806           H        ARG 806   0.299 -22.869   8.818
  426    HA   ARG 806           HA       ARG 806   0.154 -20.334   7.214
  427    HB2  ARG 806           HB2      ARG 806   2.615 -22.076   7.595
  428    HB3  ARG 806           HB3      ARG 806   2.528 -20.547   6.724
  429    HG2  ARG 806           HG2      ARG 806   2.166 -20.901   9.717
  430    HG3  ARG 806           HG3      ARG 806   3.635 -20.350   8.927
  431    HD2  ARG 806           HD2      ARG 806   2.569 -18.310   8.187
  432    HD3  ARG 806           HD3      ARG 806   0.979 -18.872   8.699
  433    HE   ARG 806           HE       ARG 806   1.716 -18.867  11.025
  434   HH11  ARG 806          HH11      ARG 806   3.727 -16.910   8.867
  435   HH12  ARG 806          HH12      ARG 806   4.402 -15.996  10.186
  436   HH21  ARG 806          HH21      ARG 806   2.633 -17.691  12.652
  437   HH22  ARG 806          HH22      ARG 806   3.785 -16.436  12.295
  438    H    THR 807           H        THR 807   0.702 -20.551   4.980
  439    HA   THR 807           HA       THR 807   1.261 -23.070   3.726
  440    HB   THR 807           HB       THR 807  -1.209 -23.321   4.082
  441    HG1  THR 807           HG1      THR 807  -1.430 -24.188   2.026
  442   HG21  THR 807          HG21      THR 807  -1.894 -20.979   3.563
  443   HG22  THR 807          HG22      THR 807  -2.749 -22.180   2.583
  444   HG23  THR 807          HG23      THR 807  -1.426 -21.231   1.869
  445    H    ILE 808           H        ILE 808   1.027 -22.740   1.223
  446    HA   ILE 808           HA       ILE 808   2.033 -20.085   0.355
  447    HB   ILE 808           HB       ILE 808   3.661 -22.627  -0.103
  448   HG12  ILE 808          HG12      ILE 808   4.100 -20.436   1.965
  449   HG13  ILE 808          HG13      ILE 808   3.835 -22.157   2.261
  450   HG21  ILE 808          HG21      ILE 808   3.846 -20.765  -1.829
  451   HG22  ILE 808          HG22      ILE 808   4.427 -19.703  -0.535
  452   HG23  ILE 808          HG23      ILE 808   5.356 -21.138  -1.019
  453   HD11  ILE 808          HD11      ILE 808   5.995 -22.696   1.200
  454   HD12  ILE 808          HD12      ILE 808   6.334 -20.954   1.028
  455   HD13  ILE 808          HD13      ILE 808   6.134 -21.643   2.628
  456    H    SER 809           H        SER 809   1.642 -19.710  -1.856
  457    HA   SER 809           HA       SER 809   0.783 -21.861  -3.662
  458    HB2  SER 809           HB2      SER 809  -1.274 -21.406  -2.280
  459    HB3  SER 809           HB3      SER 809  -1.237 -19.731  -2.868
  460    HG   SER 809           HG       SER 809  -2.628 -21.164  -4.109
  461    H    LEU 810           H        LEU 810   0.062 -20.995  -5.724
  462    HA   LEU 810           HA       LEU 810   1.948 -18.886  -6.657
  463    HB2  LEU 810           HB2      LEU 810   0.363 -21.027  -8.167
  464    HB3  LEU 810           HB3      LEU 810   1.536 -19.925  -8.869
  465    HG   LEU 810           HG       LEU 810   2.539 -22.035  -8.717
  466   HD11  LEU 810          HD11      LEU 810   4.544 -21.620  -7.346
  467   HD12  LEU 810          HD12      LEU 810   3.703 -20.337  -6.476
  468   HD13  LEU 810          HD13      LEU 810   4.046 -20.160  -8.220
  469   HD21  LEU 810          HD21      LEU 810   2.172 -22.274  -5.722
  470   HD22  LEU 810          HD22      LEU 810   2.881 -23.427  -6.856
  471   HD23  LEU 810          HD23      LEU 810   1.141 -23.081  -6.946
  472    H    ASP 811           H        ASP 811  -1.434 -19.515  -6.188
  473    HA   ASP 811           HA       ASP 811  -2.329 -17.259  -7.886
  474    HB2  ASP 811           HB2      ASP 811  -3.548 -19.473  -7.685
  475    HB3  ASP 811           HB3      ASP 811  -3.956 -19.016  -6.030
  476    H    ARG 812           H        ARG 812  -3.922 -15.767  -6.857
  477    HA   ARG 812           HA       ARG 812  -2.690 -14.142  -4.861
  478    HB2  ARG 812           HB2      ARG 812  -4.630 -12.768  -5.015
  479    HB3  ARG 812           HB3      ARG 812  -4.110 -13.295  -6.619
  480    HG2  ARG 812           HG2      ARG 812  -5.920 -14.999  -6.684
  481    HG3  ARG 812           HG3      ARG 812  -6.397 -14.555  -5.040
  482    HD2  ARG 812           HD2      ARG 812  -7.904 -13.393  -6.470
  483    HD3  ARG 812           HD3      ARG 812  -6.736 -12.202  -5.870
  484    HE   ARG 812           HE       ARG 812  -5.997 -11.844  -8.029
  485   HH11  ARG 812          HH11      ARG 812  -7.805 -14.885  -8.106
  486   HH12  ARG 812          HH12      ARG 812  -7.782 -14.950  -9.845
  487   HH21  ARG 812          HH21      ARG 812  -5.971 -12.020 -10.246
  488   HH22  ARG 812          HH22      ARG 812  -6.744 -13.364 -11.032
  489    H    LEU 813           H        LEU 813  -4.637 -16.918  -4.367
  490    HA   LEU 813           HA       LEU 813  -4.637 -16.655  -1.475
  491    HB2  LEU 813           HB2      LEU 813  -6.685 -15.360  -2.557
  492    HB3  LEU 813           HB3      LEU 813  -7.345 -16.944  -2.823
  493    HG   LEU 813           HG       LEU 813  -8.239 -15.704  -0.906
  494   HD11  LEU 813          HD11      LEU 813  -6.905 -18.275   0.000
  495   HD12  LEU 813          HD12      LEU 813  -8.402 -18.133  -0.934
  496   HD13  LEU 813          HD13      LEU 813  -8.310 -17.486   0.715
  497   HD21  LEU 813          HD21      LEU 813  -6.187 -14.528  -0.187
  498   HD22  LEU 813          HD22      LEU 813  -5.552 -16.043   0.483
  499   HD23  LEU 813          HD23      LEU 813  -7.024 -15.335   1.154
  500    HA   PRO 814           HA       PRO 814  -4.058 -20.996  -2.445
  501    HB2  PRO 814           HB2      PRO 814  -4.180 -22.157   0.048
  502    HB3  PRO 814           HB3      PRO 814  -2.799 -21.167  -0.517
  503    HG2  PRO 814           HG2      PRO 814  -5.203 -20.237   1.076
  504    HG3  PRO 814           HG3      PRO 814  -3.473 -19.988   1.484
  505    HD2  PRO 814           HD2      PRO 814  -4.796 -18.055   0.262
  506    HD3  PRO 814           HD3      PRO 814  -3.187 -18.510  -0.362
  507    H    LYS 815           H        LYS 815  -5.192 -22.950  -2.693
  508    HA   LYS 815           HA       LYS 815  -8.020 -22.428  -3.013
  509    HB2  LYS 815           HB2      LYS 815  -7.993 -24.100  -4.590
  510    HB3  LYS 815           HB3      LYS 815  -6.397 -23.392  -4.725
  511    HG2  LYS 815           HG2      LYS 815  -7.110 -26.017  -3.328
  512    HG3  LYS 815           HG3      LYS 815  -6.421 -25.852  -4.933
  513    HD2  LYS 815           HD2      LYS 815  -4.340 -24.921  -4.004
  514    HD3  LYS 815           HD3      LYS 815  -5.009 -25.041  -2.353
  515    HE2  LYS 815           HE2      LYS 815  -5.266 -27.473  -2.595
  516    HE3  LYS 815           HE3      LYS 815  -4.653 -27.391  -4.256
  517    HZ1  LYS 815           HZ1      LYS 815  -3.076 -26.658  -1.846
  518    HZ2  LYS 815           HZ2      LYS 815  -2.535 -26.596  -3.388
  519    HZ3  LYS 815           HZ3      LYS 815  -2.904 -28.032  -2.710
  520    H    LYS 816           H        LYS 816  -6.450 -24.076  -0.472
  521    HA   LYS 816           HA       LYS 816  -8.874 -25.753   0.074
  522    HB2  LYS 816           HB2      LYS 816  -7.497 -27.638   0.620
  523    HB3  LYS 816           HB3      LYS 816  -7.155 -27.061  -0.990
  524    HG2  LYS 816           HG2      LYS 816  -5.117 -27.715  -0.088
  525    HG3  LYS 816           HG3      LYS 816  -5.052 -25.950  -0.108
  526    HD2  LYS 816           HD2      LYS 816  -5.306 -25.842   2.283
  527    HD3  LYS 816           HD3      LYS 816  -5.854 -27.535   2.368
  528    HE2  LYS 816           HE2      LYS 816  -3.613 -28.290   1.650
  529    HE3  LYS 816           HE3      LYS 816  -3.056 -26.608   1.591
  530    HZ1  LYS 816           HZ1      LYS 816  -3.441 -26.458   3.968
  531    HZ2  LYS 816           HZ2      LYS 816  -2.503 -27.783   3.686
  532    HZ3  LYS 816           HZ3      LYS 816  -4.088 -27.953   4.035
  533    H    HIS 817           H        HIS 817  -8.884 -26.751   2.289
  534    HA   HIS 817           HA       HIS 817  -9.193 -24.606   4.173
  535    HB2  HIS 817           HB2      HIS 817  -9.351 -27.616   4.597
  536    HB3  HIS 817           HB3      HIS 817 -10.034 -26.378   5.645
  537    HD1  HIS 817           HD1      HIS 817 -11.035 -28.514   2.774
  538    HD2  HIS 817           HD2      HIS 817 -12.057 -24.787   4.440
  539    HE1  HIS 817           HE1      HIS 817 -13.304 -27.909   1.813
  540    H    CYS 818           H        CYS 818  -8.464 -24.554   6.395
  541    HA   CYS 818           HA       CYS 818  -5.648 -24.725   6.795
  542    HB2  CYS 818           HB2      CYS 818  -7.112 -23.178   7.945
  543    HB3  CYS 818           HB3      CYS 818  -7.972 -24.497   8.733
  544    H    SER 819           H        SER 819  -4.376 -26.337   7.373
  545    HA   SER 819           HA       SER 819  -5.261 -29.035   7.833
  546    HB2  SER 819           HB2      SER 819  -2.514 -27.867   8.432
  547    HB3  SER 819           HB3      SER 819  -2.937 -29.554   8.086
  548    HG   SER 819           HG       SER 819  -2.090 -28.566   6.220
  549    H    THR 820           H        THR 820  -5.073 -26.386  10.022
  550    HA   THR 820           HA       THR 820  -4.542 -28.115  12.407
  551    HB   THR 820           HB       THR 820  -4.313 -25.116  12.013
  552    HG1  THR 820           HG1      THR 820  -2.366 -27.147  12.435
  553   HG21  THR 820          HG21      THR 820  -4.826 -25.499  14.347
  554   HG22  THR 820          HG22      THR 820  -3.099 -25.156  14.191
  555   HG23  THR 820          HG23      THR 820  -3.642 -26.828  14.439
  556    H    CYS 821           H        CYS 821  -6.892 -25.663  11.197
  557    HA   CYS 821           HA       CYS 821  -8.735 -26.597  13.359
  558    HB2  CYS 821           HB2      CYS 821  -9.530 -24.410  13.705
  559    HB3  CYS 821           HB3      CYS 821  -7.776 -24.399  13.898
  560    H    GLY 822           H        GLY 822  -8.476 -26.178   9.981
  561    HA2  GLY 822           HA2      GLY 822  -9.786 -27.408   8.499
  562    HA3  GLY 822           HA3      GLY 822 -11.041 -27.586   9.732
  563    H    LEU 823           H        LEU 823 -10.564 -24.334   9.613
  564    HA   LEU 823           HA       LEU 823 -12.790 -23.914   7.705
  565    HB2  LEU 823           HB2      LEU 823 -12.923 -21.657   8.676
  566    HB3  LEU 823           HB3      LEU 823 -13.129 -22.968   9.818
  567    HG   LEU 823           HG       LEU 823 -10.983 -22.622  10.802
  568   HD11  LEU 823          HD11      LEU 823  -9.547 -21.921   8.967
  569   HD12  LEU 823          HD12      LEU 823  -9.566 -20.609  10.155
  570   HD13  LEU 823          HD13      LEU 823 -10.541 -20.480   8.683
  571   HD21  LEU 823          HD21      LEU 823 -12.866 -21.281  11.597
  572   HD22  LEU 823          HD22      LEU 823 -12.481 -19.997  10.442
  573   HD23  LEU 823          HD23      LEU 823 -11.354 -20.383  11.753
  574    H    PHE 824           H        PHE 824 -12.399 -21.377   6.819
  575    HA   PHE 824           HA       PHE 824  -9.924 -21.399   5.165
  576    HB2  PHE 824           HB2      PHE 824 -11.846 -22.533   3.991
  577    HB3  PHE 824           HB3      PHE 824 -12.746 -21.037   4.074
  578    HD1  PHE 824           HD2      PHE 824  -9.805 -22.754   2.636
  579    HD2  PHE 824           HD1      PHE 824 -12.250 -19.209   2.510
  580    HE1  PHE 824           HE2      PHE 824  -8.770 -22.116   0.467
  581    HE2  PHE 824           HE1      PHE 824 -11.225 -18.586   0.329
  582    HZ   PHE 824           HZ       PHE 824  -9.515 -20.059  -0.708
  583    H    LYS 825           H        LYS 825  -9.137 -19.746   6.456
  584    HA   LYS 825           HA       LYS 825 -10.305 -17.027   6.055
  585    HB2  LYS 825           HB2      LYS 825  -9.446 -18.274   8.704
  586    HB3  LYS 825           HB3      LYS 825  -9.762 -16.557   8.492
  587    HG2  LYS 825           HG2      LYS 825 -11.862 -18.732   8.105
  588    HG3  LYS 825           HG3      LYS 825 -11.610 -17.772   9.563
  589    HD2  LYS 825           HD2      LYS 825 -12.109 -15.692   8.318
  590    HD3  LYS 825           HD3      LYS 825 -12.394 -16.647   6.839
  591    HE2  LYS 825           HE2      LYS 825 -14.194 -17.901   7.971
  592    HE3  LYS 825           HE3      LYS 825 -13.933 -16.964   9.450
  593    HZ1  LYS 825           HZ1      LYS 825 -14.799 -15.818   6.852
  594    HZ2  LYS 825           HZ2      LYS 825 -14.537 -14.965   8.220
  595    HZ3  LYS 825           HZ3      LYS 825 -15.760 -16.054   8.154
  596    H    TRP 826           H        TRP 826  -8.133 -18.306   4.682
  597    HA   TRP 826           HA       TRP 826  -5.582 -17.537   5.647
  598    HB2  TRP 826           HB2      TRP 826  -6.568 -17.869   2.793
  599    HB3  TRP 826           HB3      TRP 826  -4.881 -17.779   3.281
  600    HD1  TRP 826           HD1      TRP 826  -7.418 -20.226   2.500
  601    HE1  TRP 826           HE1      TRP 826  -6.688 -22.585   3.191
  602    HE3  TRP 826           HE3      TRP 826  -3.538 -18.993   5.610
  603    HZ2  TRP 826           HZ2      TRP 826  -4.723 -23.779   4.946
  604    HZ3  TRP 826           HZ3      TRP 826  -2.282 -20.755   6.809
  605    HH2  TRP 826           HH2      TRP 826  -2.847 -23.154   6.473
  606    H    GLU 827           H        GLU 827  -4.350 -15.788   5.556
  607    HA   GLU 827           HA       GLU 827  -5.227 -13.350   4.064
  608    HB2  GLU 827           HB2      GLU 827  -5.526 -13.139   6.501
  609    HB3  GLU 827           HB3      GLU 827  -3.846 -13.574   6.777
  610    HG2  GLU 827           HG2      GLU 827  -3.045 -11.564   5.692
  611    HG3  GLU 827           HG3      GLU 827  -4.652 -11.185   5.077
  612    H    ARG 828           H        ARG 828  -3.701 -12.570   2.668
  613    HA   ARG 828           HA       ARG 828  -1.244 -14.038   2.250
  614    HB2  ARG 828           HB2      ARG 828  -2.702 -12.956   0.498
  615    HB3  ARG 828           HB3      ARG 828  -2.077 -11.387   1.007
  616    HG2  ARG 828           HG2      ARG 828   0.191 -12.020   0.330
  617    HG3  ARG 828           HG3      ARG 828  -0.294 -13.709   0.129
  618    HD2  ARG 828           HD2      ARG 828  -0.076 -12.638  -2.040
  619    HD3  ARG 828           HD3      ARG 828  -1.719 -13.174  -1.766
  620    HE   ARG 828           HE       ARG 828  -0.723 -10.355  -1.608
  621   HH11  ARG 828          HH11      ARG 828  -3.522 -12.495  -2.123
  622   HH12  ARG 828          HH12      ARG 828  -4.580 -11.142  -2.393
  623   HH21  ARG 828          HH21      ARG 828  -2.142  -8.708  -2.018
  624   HH22  ARG 828          HH22      ARG 828  -3.811  -9.040  -2.359
  625    H    VAL 829           H        VAL 829   0.731 -13.631   2.956
  626    HA   VAL 829           HA       VAL 829   1.305 -11.148   4.535
  627    HB   VAL 829           HB       VAL 829   2.590 -12.485   6.172
  628   HG11  VAL 829          HG11      VAL 829  -0.336 -13.285   6.050
  629   HG12  VAL 829          HG12      VAL 829   0.704 -13.265   7.485
  630   HG13  VAL 829          HG13      VAL 829   0.302 -11.740   6.676
  631   HG21  VAL 829          HG21      VAL 829   2.288 -14.878   6.406
  632   HG22  VAL 829          HG22      VAL 829   1.255 -14.947   4.977
  633   HG23  VAL 829          HG23      VAL 829   2.974 -14.548   4.808
  634    H    GLY 830           H        GLY 830   3.729 -10.973   5.029
  635    HA2  GLY 830           HA2      GLY 830   5.063 -10.866   2.452
  636    HA3  GLY 830           HA3      GLY 830   5.660 -10.225   3.995
  637    H    MET 831           H        MET 831   7.652 -10.956   2.936
  638    HA   MET 831           HA       MET 831   8.086 -13.766   2.419
  639    HB2  MET 831           HB2      MET 831   9.039 -12.034   1.033
  640    HB3  MET 831           HB3      MET 831   9.955 -11.379   2.399
  641    HG2  MET 831           HG2      MET 831  11.289 -13.426   2.534
  642    HG3  MET 831           HG3      MET 831  10.295 -14.195   1.290
  643    HE1  MET 831           HE1      MET 831  13.569 -13.805   1.496
  644    HE2  MET 831           HE2      MET 831  12.744 -14.830   0.307
  645    HE3  MET 831           HE3      MET 831  13.930 -13.619  -0.227
  646    H    LEU 832           H        LEU 832   8.623 -15.219   3.744
  647    HA   LEU 832           HA       LEU 832   9.585 -15.045   6.426
  648    HB2  LEU 832           HB2      LEU 832   9.753 -17.438   6.255
  649    HB3  LEU 832           HB3      LEU 832   8.258 -16.910   5.519
  650    HG   LEU 832           HG       LEU 832  10.750 -17.872   4.070
  651   HD11  LEU 832          HD11      LEU 832   9.400 -19.614   5.214
  652   HD12  LEU 832          HD12      LEU 832   9.306 -19.780   3.452
  653   HD13  LEU 832          HD13      LEU 832   7.953 -19.069   4.346
  654   HD21  LEU 832          HD21      LEU 832   8.126 -16.869   2.885
  655   HD22  LEU 832          HD22      LEU 832   9.298 -17.890   2.005
  656   HD23  LEU 832          HD23      LEU 832   9.763 -16.278   2.524
  657    H    LYS 833           H        LYS 833  11.596 -15.209   7.285
  658    HA   LYS 833           HA       LYS 833  13.908 -14.788   5.509
  659    HB2  LYS 833           HB2      LYS 833  15.066 -14.073   7.500
  660    HB3  LYS 833           HB3      LYS 833  13.500 -13.272   7.401
  661    HG2  LYS 833           HG2      LYS 833  12.575 -14.886   9.067
  662    HG3  LYS 833           HG3      LYS 833  14.156 -15.677   9.162
  663    HD2  LYS 833           HD2      LYS 833  15.174 -13.558   9.963
  664    HD3  LYS 833           HD3      LYS 833  13.582 -12.767   9.865
  665    HE2  LYS 833           HE2      LYS 833  12.671 -14.402  11.507
  666    HE3  LYS 833           HE3      LYS 833  14.238 -15.207  11.585
  667    HZ1  LYS 833           HZ1      LYS 833  13.941 -13.657  13.423
  668    HZ2  LYS 833           HZ2      LYS 833  13.746 -12.398  12.405
  669    HZ3  LYS 833           HZ3      LYS 833  15.184 -13.176  12.492
  670    H    GLU 834           H        GLU 834  12.471 -17.427   6.652
  671    HA   GLU 834           HA       GLU 834  14.907 -19.100   7.120
  672    HB2  GLU 834           HB2      GLU 834  11.939 -19.707   7.444
  673    HB3  GLU 834           HB3      GLU 834  13.246 -20.836   7.806
  674    HG2  GLU 834           HG2      GLU 834  12.758 -18.183   9.224
  675    HG3  GLU 834           HG3      GLU 834  12.370 -19.781   9.840
  676    H    LYS 835           H        LYS 835  14.295 -21.507   6.169
  677    HA   LYS 835           HA       LYS 835  14.567 -21.384   3.312
  678    HB2  LYS 835           HB2      LYS 835  14.134 -23.598   5.340
  679    HB3  LYS 835           HB3      LYS 835  13.995 -23.934   3.621
  680    HG2  LYS 835           HG2      LYS 835  16.195 -24.510   4.329
  681    HG3  LYS 835           HG3      LYS 835  16.293 -23.148   3.222
  682    HD2  LYS 835           HD2      LYS 835  16.694 -21.612   5.097
  683    HD3  LYS 835           HD3      LYS 835  16.466 -22.935   6.262
  684    HE2  LYS 835           HE2      LYS 835  18.395 -24.143   5.267
  685    HE3  LYS 835           HE3      LYS 835  18.628 -22.824   4.106
  686    HZ1  LYS 835           HZ1      LYS 835  18.859 -22.580   7.056
  687    HZ2  LYS 835           HZ2      LYS 835  19.078 -21.351   5.989
  688    HZ3  LYS 835           HZ3      LYS 835  20.113 -22.613   5.994
  689    H    THR 836           H        THR 836  13.180 -22.354   1.718
  690    HA   THR 836           HA       THR 836  10.595 -21.135   1.616
  691    HB   THR 836           HB       THR 836  10.408 -22.424  -0.551
  692    HG1  THR 836           HG1      THR 836  12.315 -23.545  -1.164
  693   HG21  THR 836          HG21      THR 836  12.175 -21.166  -1.683
  694   HG22  THR 836          HG22      THR 836  13.026 -20.914  -0.144
  695   HG23  THR 836          HG23      THR 836  11.444 -20.159  -0.415
  696    H    GLY 837           H        GLY 837  11.483 -24.321   2.737
  697    HA2  GLY 837           HA2      GLY 837   8.638 -25.232   2.788
  698    HA3  GLY 837           HA3      GLY 837  10.069 -26.178   3.211
  699    HA   PRO 838           HA       PRO 838   8.941 -23.509   7.060
  700    HB2  PRO 838           HB2      PRO 838   6.299 -23.068   7.528
  701    HB3  PRO 838           HB3      PRO 838   7.273 -21.986   6.482
  702    HG2  PRO 838           HG2      PRO 838   5.462 -24.279   5.640
  703    HG3  PRO 838           HG3      PRO 838   5.495 -22.608   4.995
  704    HD2  PRO 838           HD2      PRO 838   6.806 -24.659   3.768
  705    HD3  PRO 838           HD3      PRO 838   7.503 -23.004   3.833
  706    H    LYS 839           H        LYS 839   8.321 -24.313   9.165
  707    HA   LYS 839           HA       LYS 839   7.875 -27.208   9.277
  708    HB2  LYS 839           HB2      LYS 839   8.164 -25.095  11.455
  709    HB3  LYS 839           HB3      LYS 839   8.075 -26.838  11.716
  710    HG2  LYS 839           HG2      LYS 839  10.134 -27.136  10.323
  711    HG3  LYS 839           HG3      LYS 839  10.225 -25.384  10.111
  712    HD2  LYS 839           HD2      LYS 839  11.790 -26.020  11.828
  713    HD3  LYS 839           HD3      LYS 839  10.498 -25.069  12.548
  714    HE2  LYS 839           HE2      LYS 839  11.012 -26.859  14.049
  715    HE3  LYS 839           HE3      LYS 839   9.412 -27.150  13.382
  716    HZ1  LYS 839           HZ1      LYS 839  10.767 -29.170  13.395
  717    HZ2  LYS 839           HZ2      LYS 839  11.905 -28.477  12.459
  718    HZ3  LYS 839           HZ3      LYS 839  10.412 -28.775  11.857
  719    H    LEU 840           H        LEU 840   5.810 -24.442   9.479
  720    HA   LEU 840           HA       LEU 840   3.502 -25.938  10.588
  721    HB2  LEU 840           HB2      LEU 840   3.820 -23.041   9.692
  722    HB3  LEU 840           HB3      LEU 840   2.346 -23.727  10.361
  723    HG   LEU 840           HG       LEU 840   4.989 -23.494  11.853
  724   HD11  LEU 840          HD11      LEU 840   2.410 -21.895  12.116
  725   HD12  LEU 840          HD12      LEU 840   3.957 -21.309  11.443
  726   HD13  LEU 840          HD13      LEU 840   3.844 -21.740  13.153
  727   HD21  LEU 840          HD21      LEU 840   3.687 -25.402  12.723
  728   HD22  LEU 840          HD22      LEU 840   2.234 -24.389  12.820
  729   HD23  LEU 840          HD23      LEU 840   3.623 -24.057  13.864
  730    H    GLY 841           H        GLY 841   1.417 -25.757   9.391
  731    HA2  GLY 841           HA2      GLY 841   0.100 -26.002   7.483
  732    HA3  GLY 841           HA3      GLY 841   1.501 -25.655   6.461
  733    H    GLY 842           H        GLY 842   0.235 -27.397   5.305
  734    HA2  GLY 842           HA2      GLY 842   1.691 -29.838   5.197
  735    HA3  GLY 842           HA3      GLY 842   0.193 -30.136   6.085
  Start of MODEL    9
    1    H1   GLY  -4           H1       GLY  -4  17.842   8.549 -12.910
    2    H2   GLY  -4           H2       GLY  -4  16.807   7.532 -13.671
    3    H3   GLY  -4           H3       GLY  -4  18.140   8.071 -14.442
    4    HA2  GLY  -4           HA2      GLY  -4  19.579   6.887 -12.921
    5    HA3  GLY  -4           HA3      GLY  -4  18.133   6.326 -12.066
    6    HA   PRO  -3           HA       PRO  -3  19.282   3.503 -15.737
    7    HB2  PRO  -3           HB2      PRO  -3  20.764   1.538 -14.596
    8    HB3  PRO  -3           HB3      PRO  -3  21.476   3.096 -15.100
    9    HG2  PRO  -3           HG2      PRO  -3  20.546   2.278 -12.324
   10    HG3  PRO  -3           HG3      PRO  -3  22.116   3.008 -12.785
   11    HD2  PRO  -3           HD2      PRO  -3  20.058   4.519 -11.843
   12    HD3  PRO  -3           HD3      PRO  -3  21.144   5.131 -13.121
   13    H    MET  -2           H        MET  -2  18.043   2.879 -12.473
   14    HA   MET  -2           HA       MET  -2  16.098   0.900 -13.539
   15    HB2  MET  -2           HB2      MET  -2  17.831   0.551 -11.046
   16    HB3  MET  -2           HB3      MET  -2  16.443  -0.453 -11.456
   17    HG2  MET  -2           HG2      MET  -2  17.576  -1.139 -13.578
   18    HG3  MET  -2           HG3      MET  -2  18.962  -0.161 -13.133
   19    HE1  MET  -2           HE1      MET  -2  17.712  -4.099 -11.049
   20    HE2  MET  -2           HE2      MET  -2  16.711  -2.643 -10.916
   21    HE3  MET  -2           HE3      MET  -2  16.950  -3.426 -12.503
   22    H    GLY  -1           H        GLY  -1  14.191   0.707 -12.306
   23    HA2  GLY  -1           HA2      GLY  -1  13.428   3.045 -10.615
   24    HA3  GLY  -1           HA3      GLY  -1  12.329   1.870 -11.359
   25    H    MET 755           H        MET 755  11.829   2.471  -8.859
   26    HA   MET 755           HA       MET 755  13.068   0.669  -6.916
   27    HB2  MET 755           HB2      MET 755  10.496   2.298  -6.807
   28    HB3  MET 755           HB3      MET 755  11.173   1.391  -5.455
   29    HG2  MET 755           HG2      MET 755  13.238   2.732  -5.564
   30    HG3  MET 755           HG3      MET 755  12.574   3.666  -6.905
   31    HE1  MET 755           HE1      MET 755  12.617   6.256  -3.992
   32    HE2  MET 755           HE2      MET 755  13.792   4.971  -4.324
   33    HE3  MET 755           HE3      MET 755  13.100   5.905  -5.667
   34    H    GLN 756           H        GLN 756  12.466  -1.346  -6.324
   35    HA   GLN 756           HA       GLN 756   9.870  -2.525  -6.818
   36    HB2  GLN 756           HB2      GLN 756  10.891  -2.690  -9.098
   37    HB3  GLN 756           HB3      GLN 756  12.250  -3.580  -8.414
   38    HG2  GLN 756           HG2      GLN 756  10.676  -5.384  -7.683
   39    HG3  GLN 756           HG3      GLN 756   9.334  -4.471  -8.380
   40   HE21  GLN 756          HE21      GLN 756   9.447  -4.023 -10.821
   41   HE22  GLN 756          HE22      GLN 756  10.250  -5.238 -11.801
   42    H    SER 757           H        SER 757   9.545  -3.842  -5.104
   43    HA   SER 757           HA       SER 757  11.385  -5.766  -4.041
   44    HB2  SER 757           HB2      SER 757  11.705  -4.696  -1.795
   45    HB3  SER 757           HB3      SER 757  12.645  -3.983  -3.091
   46    HG   SER 757           HG       SER 757  10.195  -2.954  -2.031
   47    H    ILE 758           H        ILE 758   9.613  -7.131  -4.238
   48    HA   ILE 758           HA       ILE 758   7.263  -6.628  -2.438
   49    HB   ILE 758           HB       ILE 758   7.241  -8.414  -4.883
   50   HG12  ILE 758          HG12      ILE 758   7.754  -6.210  -5.789
   51   HG13  ILE 758          HG13      ILE 758   6.131  -6.719  -6.208
   52   HG21  ILE 758          HG21      ILE 758   4.780  -8.095  -4.726
   53   HG22  ILE 758          HG22      ILE 758   5.437  -8.814  -3.249
   54   HG23  ILE 758          HG23      ILE 758   4.997  -7.109  -3.271
   55   HD11  ILE 758          HD11      ILE 758   6.734  -4.720  -3.980
   56   HD12  ILE 758          HD12      ILE 758   6.240  -4.319  -5.636
   57   HD13  ILE 758          HD13      ILE 758   5.132  -5.195  -4.576
   58    H    ARG 759           H        ARG 759   6.554  -8.306  -1.134
   59    HA   ARG 759           HA       ARG 759   8.600 -10.157  -0.293
   60    HB2  ARG 759           HB2      ARG 759   7.191 -10.507   1.645
   61    HB3  ARG 759           HB3      ARG 759   7.356  -8.804   1.289
   62    HG2  ARG 759           HG2      ARG 759   5.075  -8.949   0.043
   63    HG3  ARG 759           HG3      ARG 759   4.908 -10.548   0.776
   64    HD2  ARG 759           HD2      ARG 759   5.275  -9.414   3.029
   65    HD3  ARG 759           HD3      ARG 759   5.212  -7.869   2.180
   66    HE   ARG 759           HE       ARG 759   2.906  -8.777   1.334
   67   HH11  ARG 759          HH11      ARG 759   4.108  -9.178   4.642
   68   HH12  ARG 759          HH12      ARG 759   2.501  -9.320   5.292
   69   HH21  ARG 759          HH21      ARG 759   0.882  -8.934   2.261
   70   HH22  ARG 759          HH22      ARG 759   0.717  -9.286   3.954
   71    H    GLU 760           H        GLU 760   7.509 -10.848  -2.824
   72    HA   GLU 760           HA       GLU 760   6.837 -13.687  -2.348
   73    HB2  GLU 760           HB2      GLU 760   5.205 -13.732  -4.167
   74    HB3  GLU 760           HB3      GLU 760   4.687 -12.688  -2.860
   75    HG2  GLU 760           HG2      GLU 760   5.744 -10.763  -4.373
   76    HG3  GLU 760           HG3      GLU 760   5.622 -11.961  -5.653
   77    H    GLN 761           H        GLN 761   7.470 -15.075  -4.182
   78    HA   GLN 761           HA       GLN 761   9.823 -13.917  -5.619
   79    HB2  GLN 761           HB2      GLN 761  11.294 -15.565  -4.583
   80    HB3  GLN 761           HB3      GLN 761  10.547 -14.519  -3.365
   81    HG2  GLN 761           HG2      GLN 761   8.846 -16.364  -2.940
   82    HG3  GLN 761           HG3      GLN 761   9.735 -17.382  -4.069
   83   HE21  GLN 761          HE21      GLN 761  10.183 -15.517  -0.968
   84   HE22  GLN 761          HE22      GLN 761  11.409 -16.638  -0.376
   85    H    SER 762           H        SER 762  10.585 -14.991  -7.401
   86    HA   SER 762           HA       SER 762   8.720 -16.818  -8.656
   87    HB2  SER 762           HB2      SER 762  10.310 -16.660 -10.585
   88    HB3  SER 762           HB3      SER 762   9.621 -15.125 -10.028
   89    HG   SER 762           HG       SER 762  11.897 -14.967 -10.433
   90    H    CYS 763           H        CYS 763   9.047 -18.897  -9.345
   91    HA   CYS 763           HA       CYS 763  11.445 -20.428  -8.740
   92    HB2  CYS 763           HB2      CYS 763  10.187 -20.100  -6.498
   93    HB3  CYS 763           HB3      CYS 763   8.936 -21.165  -7.158
   94    HG   CYS 763           HG       CYS 763  10.547 -22.459  -5.465
   95    H    ARG 764           H        ARG 764  11.065 -22.835  -9.206
   96    HA   ARG 764           HA       ARG 764   9.570 -23.129 -11.700
   97    HB2  ARG 764           HB2      ARG 764  11.882 -24.146 -11.085
   98    HB3  ARG 764           HB3      ARG 764  10.954 -25.370 -10.208
   99    HG2  ARG 764           HG2      ARG 764   9.711 -25.829 -12.387
  100    HG3  ARG 764           HG3      ARG 764  10.759 -24.655 -13.173
  101    HD2  ARG 764           HD2      ARG 764  11.643 -26.815 -13.660
  102    HD3  ARG 764           HD3      ARG 764  12.750 -26.054 -12.520
  103    HE   ARG 764           HE       ARG 764  10.778 -28.237 -11.944
  104   HH11  ARG 764          HH11      ARG 764  13.711 -26.551 -10.861
  105   HH12  ARG 764          HH12      ARG 764  13.953 -27.669  -9.556
  106   HH21  ARG 764          HH21      ARG 764  11.138 -29.585 -10.232
  107   HH22  ARG 764          HH22      ARG 764  12.522 -29.345  -9.202
  108    H    VAL 765           H        VAL 765   7.768 -24.309 -12.027
  109    HA   VAL 765           HA       VAL 765   6.256 -25.598  -9.804
  110    HB   VAL 765           HB       VAL 765   4.172 -24.432 -10.647
  111   HG11  VAL 765          HG11      VAL 765   5.283 -23.732  -8.540
  112   HG12  VAL 765          HG12      VAL 765   6.252 -22.556  -9.460
  113   HG13  VAL 765          HG13      VAL 765   4.496 -22.382  -9.382
  114   HG21  VAL 765          HG21      VAL 765   6.093 -22.460 -11.943
  115   HG22  VAL 765          HG22      VAL 765   5.111 -23.639 -12.830
  116   HG23  VAL 765          HG23      VAL 765   4.325 -22.368 -11.891
  117    H    VAL 766           H        VAL 766   4.321 -26.791 -10.667
  118    HA   VAL 766           HA       VAL 766   4.819 -27.913 -13.389
  119    HB   VAL 766           HB       VAL 766   5.915 -29.359 -11.778
  120   HG11  VAL 766          HG11      VAL 766   4.742 -30.625 -10.111
  121   HG12  VAL 766          HG12      VAL 766   4.608 -28.914  -9.750
  122   HG13  VAL 766          HG13      VAL 766   3.220 -29.805 -10.434
  123   HG21  VAL 766          HG21      VAL 766   3.408 -30.744 -12.788
  124   HG22  VAL 766          HG22      VAL 766   4.862 -30.391 -13.758
  125   HG23  VAL 766          HG23      VAL 766   4.957 -31.490 -12.376
  126    H    THR 767           H        THR 767   3.087 -28.345 -14.581
  127    HA   THR 767           HA       THR 767   0.362 -28.279 -13.356
  128    HB   THR 767           HB       THR 767   1.190 -27.962 -16.257
  129    HG1  THR 767           HG1      THR 767   0.106 -26.057 -14.449
  130   HG21  THR 767          HG21      THR 767  -1.142 -27.276 -16.648
  131   HG22  THR 767          HG22      THR 767  -1.550 -27.590 -14.957
  132   HG23  THR 767          HG23      THR 767  -1.098 -28.928 -16.027
  133    H    CYS 768           H        CYS 768  -0.459 -30.268 -12.990
  134    HA   CYS 768           HA       CYS 768   0.454 -32.660 -14.467
  135    HB2  CYS 768           HB2      CYS 768  -0.168 -32.837 -12.062
  136    HB3  CYS 768           HB3      CYS 768  -1.806 -32.304 -12.454
  137    H    LYS 769           H        LYS 769  -0.383 -33.214 -16.367
  138    HA   LYS 769           HA       LYS 769  -2.564 -31.661 -17.562
  139    HB2  LYS 769           HB2      LYS 769  -0.988 -33.995 -18.733
  140    HB3  LYS 769           HB3      LYS 769  -1.942 -32.825 -19.620
  141    HG2  LYS 769           HG2      LYS 769   0.672 -32.284 -18.138
  142    HG3  LYS 769           HG3      LYS 769   0.449 -32.380 -19.866
  143    HD2  LYS 769           HD2      LYS 769  -0.821 -30.265 -18.052
  144    HD3  LYS 769           HD3      LYS 769   0.653 -30.047 -18.972
  145    HE2  LYS 769           HE2      LYS 769  -2.075 -30.638 -20.184
  146    HE3  LYS 769           HE3      LYS 769  -1.341 -29.033 -20.071
  147    HZ1  LYS 769           HZ1      LYS 769   0.498 -29.872 -21.457
  148    HZ2  LYS 769           HZ2      LYS 769  -0.938 -29.955 -22.242
  149    HZ3  LYS 769           HZ3      LYS 769  -0.250 -31.309 -21.629
  150    H    THR 770           H        THR 770  -2.285 -34.688 -15.934
  151    HA   THR 770           HA       THR 770  -4.694 -35.914 -17.085
  152    HB   THR 770           HB       THR 770  -3.030 -36.735 -14.671
  153    HG1  THR 770           HG1      THR 770  -2.861 -37.521 -17.409
  154   HG21  THR 770          HG21      THR 770  -4.951 -38.299 -16.453
  155   HG22  THR 770          HG22      THR 770  -5.164 -37.920 -14.725
  156   HG23  THR 770          HG23      THR 770  -3.869 -39.018 -15.240
  157    H    CYS 771           H        CYS 771  -3.865 -34.209 -14.017
  158    HA   CYS 771           HA       CYS 771  -6.720 -34.358 -13.176
  159    HB2  CYS 771           HB2      CYS 771  -4.234 -33.422 -11.707
  160    HB3  CYS 771           HB3      CYS 771  -5.840 -33.625 -11.001
  161    H    LYS 772           H        LYS 772  -4.495 -32.124 -14.571
  162    HA   LYS 772           HA       LYS 772  -4.641 -30.034 -15.330
  163    HB2  LYS 772           HB2      LYS 772  -7.618 -30.192 -14.694
  164    HB3  LYS 772           HB3      LYS 772  -6.824 -28.919 -15.594
  165    HG2  LYS 772           HG2      LYS 772  -7.612 -30.164 -17.297
  166    HG3  LYS 772           HG3      LYS 772  -5.963 -30.756 -17.196
  167    HD2  LYS 772           HD2      LYS 772  -6.756 -32.775 -15.984
  168    HD3  LYS 772           HD3      LYS 772  -8.414 -32.173 -16.030
  169    HE2  LYS 772           HE2      LYS 772  -6.679 -32.779 -18.473
  170    HE3  LYS 772           HE3      LYS 772  -7.820 -33.927 -17.752
  171    HZ1  LYS 772           HZ1      LYS 772  -8.558 -31.307 -18.927
  172    HZ2  LYS 772           HZ2      LYS 772  -9.606 -32.363 -18.242
  173    HZ3  LYS 772           HZ3      LYS 772  -8.815 -32.769 -19.614
  174    H    TYR 773           H        TYR 773  -4.015 -30.534 -12.477
  175    HA   TYR 773           HA       TYR 773  -4.616 -27.870 -11.255
  176    HB2  TYR 773           HB2      TYR 773  -3.670 -28.657  -9.242
  177    HB3  TYR 773           HB3      TYR 773  -4.835 -29.837  -9.789
  178    HD1  TYR 773           HD1      TYR 773  -1.107 -29.146  -9.731
  179    HD2  TYR 773           HD2      TYR 773  -4.229 -32.121  -9.829
  180    HE1  TYR 773           HE1      TYR 773   0.577 -30.919  -9.317
  181    HE2  TYR 773           HE2      TYR 773  -2.574 -33.861  -9.245
  182    HH   TYR 773           HH       TYR 773  -0.341 -34.365  -8.984
  183    H    THR 774           H        THR 774  -2.838 -26.588 -10.357
  184    HA   THR 774           HA       THR 774  -0.137 -27.086 -11.509
  185    HB   THR 774           HB       THR 774  -1.393 -24.344 -11.234
  186    HG1  THR 774           HG1      THR 774  -2.163 -25.335 -13.051
  187   HG21  THR 774          HG21      THR 774   1.339 -25.227 -12.284
  188   HG22  THR 774          HG22      THR 774   1.041 -24.260 -10.816
  189   HG23  THR 774          HG23      THR 774   0.676 -23.592 -12.409
  190    H    HIS 775           H        HIS 775   1.281 -27.361  -9.943
  191    HA   HIS 775           HA       HIS 775   1.013 -26.063  -7.277
  192    HB2  HIS 775           HB2      HIS 775   1.432 -29.040  -7.791
  193    HB3  HIS 775           HB3      HIS 775   1.654 -28.283  -6.231
  194    HD1  HIS 775           HD1      HIS 775  -0.420 -30.639  -6.722
  195    HD2  HIS 775           HD2      HIS 775  -1.243 -26.532  -6.467
  196    HE1  HIS 775           HE1      HIS 775  -2.856 -30.452  -6.036
  197    H    PHE 776           H        PHE 776   3.115 -26.672  -5.979
  198    HA   PHE 776           HA       PHE 776   5.448 -25.716  -7.349
  199    HB2  PHE 776           HB2      PHE 776   5.427 -27.274  -4.733
  200    HB3  PHE 776           HB3      PHE 776   6.522 -26.008  -5.227
  201    HD1  PHE 776           HD2      PHE 776   5.602 -23.597  -5.406
  202    HD2  PHE 776           HD1      PHE 776   3.426 -26.828  -3.531
  203    HE1  PHE 776           HE2      PHE 776   4.141 -21.955  -4.221
  204    HE2  PHE 776           HE1      PHE 776   1.961 -25.171  -2.394
  205    HZ   PHE 776           HZ       PHE 776   2.316 -22.750  -2.757
  206    H    LYS 777           H        LYS 777   4.249 -28.947  -6.611
  207    HA   LYS 777           HA       LYS 777   6.206 -30.303  -8.282
  208    HB2  LYS 777           HB2      LYS 777   7.125 -31.706  -6.491
  209    HB3  LYS 777           HB3      LYS 777   7.464 -30.008  -6.194
  210    HG2  LYS 777           HG2      LYS 777   5.539 -29.952  -4.564
  211    HG3  LYS 777           HG3      LYS 777   5.305 -31.688  -4.839
  212    HD2  LYS 777           HD2      LYS 777   7.640 -32.104  -4.062
  213    HD3  LYS 777           HD3      LYS 777   7.835 -30.356  -3.806
  214    HE2  LYS 777           HE2      LYS 777   7.400 -31.315  -1.673
  215    HE3  LYS 777           HE3      LYS 777   5.964 -30.400  -2.154
  216    HZ1  LYS 777           HZ1      LYS 777   6.287 -33.351  -2.352
  217    HZ2  LYS 777           HZ2      LYS 777   4.935 -32.531  -2.784
  218    HZ3  LYS 777           HZ3      LYS 777   5.412 -32.580  -1.218
  219    HA   PRO 778           HA       PRO 778   2.729 -32.997  -8.685
  220    HB2  PRO 778           HB2      PRO 778   3.735 -35.366  -9.546
  221    HB3  PRO 778           HB3      PRO 778   3.815 -33.868 -10.531
  222    HG2  PRO 778           HG2      PRO 778   5.975 -35.069  -8.785
  223    HG3  PRO 778           HG3      PRO 778   6.122 -34.441 -10.454
  224    HD2  PRO 778           HD2      PRO 778   6.787 -32.956  -8.250
  225    HD3  PRO 778           HD3      PRO 778   6.122 -32.228  -9.745
  226    H    LYS 779           H        LYS 779   1.506 -34.599  -7.594
  227    HA   LYS 779           HA       LYS 779   2.299 -35.230  -4.871
  228    HB2  LYS 779           HB2      LYS 779  -0.055 -36.118  -6.580
  229    HB3  LYS 779           HB3      LYS 779   0.125 -36.489  -4.862
  230    HG2  LYS 779           HG2      LYS 779   0.208 -34.061  -4.340
  231    HG3  LYS 779           HG3      LYS 779  -0.078 -33.681  -6.049
  232    HD2  LYS 779           HD2      LYS 779  -1.945 -35.229  -4.187
  233    HD3  LYS 779           HD3      LYS 779  -2.143 -33.542  -4.686
  234    HE2  LYS 779           HE2      LYS 779  -2.376 -34.245  -7.045
  235    HE3  LYS 779           HE3      LYS 779  -2.152 -35.939  -6.580
  236    HZ1  LYS 779           HZ1      LYS 779  -4.177 -35.765  -5.247
  237    HZ2  LYS 779           HZ2      LYS 779  -4.494 -35.407  -6.813
  238    HZ3  LYS 779           HZ3      LYS 779  -4.394 -34.211  -5.704
  239    H    GLU 780           H        GLU 780   2.407 -37.275  -3.914
  240    HA   GLU 780           HA       GLU 780   4.072 -39.181  -5.140
  241    HB2  GLU 780           HB2      GLU 780   2.118 -39.724  -2.849
  242    HB3  GLU 780           HB3      GLU 780   3.532 -40.668  -3.285
  243    HG2  GLU 780           HG2      GLU 780   4.457 -39.493  -1.576
  244    HG3  GLU 780           HG3      GLU 780   4.813 -38.356  -2.872
  245    H    THR 781           H        THR 781   0.510 -39.101  -5.010
  246    HA   THR 781           HA       THR 781   0.038 -41.623  -6.330
  247    HB   THR 781           HB       THR 781  -2.206 -40.471  -6.849
  248    HG1  THR 781           HG1      THR 781  -2.565 -38.590  -5.613
  249   HG21  THR 781          HG21      THR 781  -1.270 -40.662  -3.949
  250   HG22  THR 781          HG22      THR 781  -1.872 -42.002  -4.947
  251   HG23  THR 781          HG23      THR 781  -2.962 -40.673  -4.505
  252    H    CYS 782           H        CYS 782   0.405 -38.261  -7.553
  253    HA   CYS 782           HA       CYS 782  -0.112 -38.919 -10.280
  254    HB2  CYS 782           HB2      CYS 782   1.419 -36.600  -8.979
  255    HB3  CYS 782           HB3      CYS 782   1.035 -36.698 -10.687
  256    H    VAL 783           H        VAL 783   2.919 -38.796  -8.442
  257    HA   VAL 783           HA       VAL 783   4.631 -39.546 -10.664
  258    HB   VAL 783           HB       VAL 783   5.067 -39.739  -7.665
  259   HG11  VAL 783          HG11      VAL 783   6.601 -41.348  -8.715
  260   HG12  VAL 783          HG12      VAL 783   7.072 -40.140  -9.935
  261   HG13  VAL 783          HG13      VAL 783   7.505 -39.916  -8.225
  262   HG21  VAL 783          HG21      VAL 783   4.847 -37.425  -8.571
  263   HG22  VAL 783          HG22      VAL 783   6.470 -37.748  -7.991
  264   HG23  VAL 783          HG23      VAL 783   6.137 -37.766  -9.736
  265    H    SER 784           H        SER 784   3.053 -41.511  -8.046
  266    HA   SER 784           HA       SER 784   4.202 -43.998  -8.898
  267    HB2  SER 784           HB2      SER 784   3.350 -43.487  -6.632
  268    HB3  SER 784           HB3      SER 784   1.698 -43.467  -7.262
  269    HG   SER 784           HG       SER 784   2.321 -45.510  -6.309
  270    H    GLU 785           H        GLU 785   0.963 -42.562  -9.608
  271    HA   GLU 785           HA       GLU 785   0.183 -44.741 -11.400
  272    HB2  GLU 785           HB2      GLU 785  -0.932 -41.938 -11.008
  273    HB3  GLU 785           HB3      GLU 785  -1.652 -43.175 -12.026
  274    HG2  GLU 785           HG2      GLU 785  -2.042 -44.629 -10.099
  275    HG3  GLU 785           HG3      GLU 785  -1.261 -43.464  -9.021
  276    H    ASN 786           H        ASN 786   2.233 -42.027 -11.714
  277    HA   ASN 786           HA       ASN 786   3.521 -41.290 -13.343
  278    HB2  ASN 786           HB2      ASN 786   3.487 -43.925 -13.732
  279    HB3  ASN 786           HB3      ASN 786   2.747 -43.495 -15.266
  280   HD21  ASN 786          HD21      ASN 786   5.487 -42.737 -13.083
  281   HD22  ASN 786          HD22      ASN 786   6.664 -42.415 -14.355
  282    H    HIS 787           H        HIS 787   1.250 -39.944 -13.129
  283    HA   HIS 787           HA       HIS 787  -0.239 -39.372 -15.533
  284    HB2  HIS 787           HB2      HIS 787   0.474 -37.635 -13.136
  285    HB3  HIS 787           HB3      HIS 787  -0.652 -37.188 -14.391
  286    HD2  HIS 787           HD2      HIS 787  -1.296 -40.781 -13.693
  287    HE1  HIS 787           HE1      HIS 787  -3.866 -38.803 -10.946
  288    HE2  HIS 787           HE2      HIS 787  -3.258 -41.033 -11.984
  289    H    ASP 788           H        ASP 788  -0.000 -37.533 -16.928
  290    HA   ASP 788           HA       ASP 788   2.799 -36.891 -17.659
  291    HB2  ASP 788           HB2      ASP 788   0.105 -36.184 -18.916
  292    HB3  ASP 788           HB3      ASP 788   1.655 -35.591 -19.493
  293    H    PHE 789           H        PHE 789   3.777 -34.916 -17.294
  294    HA   PHE 789           HA       PHE 789   2.112 -32.668 -16.370
  295    HB2  PHE 789           HB2      PHE 789   4.460 -32.449 -14.820
  296    HB3  PHE 789           HB3      PHE 789   2.808 -32.586 -14.297
  297    HD1  PHE 789           HD1      PHE 789   1.892 -34.768 -13.522
  298    HD2  PHE 789           HD2      PHE 789   6.043 -34.254 -14.597
  299    HE1  PHE 789           HE1      PHE 789   2.482 -36.791 -12.233
  300    HE2  PHE 789           HE2      PHE 789   6.627 -36.276 -13.273
  301    HZ   PHE 789           HZ       PHE 789   4.843 -37.561 -12.098
  302    H    HIS 790           H        HIS 790   2.929 -30.633 -16.655
  303    HA   HIS 790           HA       HIS 790   5.397 -30.324 -18.358
  304    HB2  HIS 790           HB2      HIS 790   2.780 -28.761 -18.306
  305    HB3  HIS 790           HB3      HIS 790   4.276 -28.106 -18.950
  306    HD1  HIS 790           HD1      HIS 790   3.874 -28.045 -21.479
  307    HD2  HIS 790           HD2      HIS 790   2.751 -31.667 -19.664
  308    HE1  HIS 790           HE1      HIS 790   3.121 -29.585 -23.362
  309    H    TRP 791           H        TRP 791   7.035 -29.485 -17.191
  310    HA   TRP 791           HA       TRP 791   6.539 -27.815 -14.789
  311    HB2  TRP 791           HB2      TRP 791   9.069 -28.916 -16.084
  312    HB3  TRP 791           HB3      TRP 791   9.063 -27.841 -14.705
  313    HD1  TRP 791           HD1      TRP 791   8.194 -31.433 -15.634
  314    HE1  TRP 791           HE1      TRP 791   8.167 -32.873 -13.517
  315    HE3  TRP 791           HE3      TRP 791   8.544 -27.720 -12.122
  316    HZ2  TRP 791           HZ2      TRP 791   8.427 -32.477 -10.676
  317    HZ3  TRP 791           HZ3      TRP 791   8.692 -28.277  -9.713
  318    HH2  TRP 791           HH2      TRP 791   8.652 -30.662  -8.976
  319    H    HIS 792           H        HIS 792   7.180 -25.676 -14.581
  320    HA   HIS 792           HA       HIS 792   8.498 -24.151 -16.672
  321    HB2  HIS 792           HB2      HIS 792   6.688 -22.706 -17.290
  322    HB3  HIS 792           HB3      HIS 792   6.168 -24.350 -17.593
  323    HD1  HIS 792           HD1      HIS 792   5.126 -21.288 -15.684
  324    HD2  HIS 792           HD2      HIS 792   4.378 -25.430 -15.687
  325    HE1  HIS 792           HE1      HIS 792   2.915 -21.618 -14.462
  326    H    ASN 793           H        ASN 793   8.231 -21.648 -16.001
  327    HA   ASN 793           HA       ASN 793   8.825 -21.465 -13.087
  328    HB2  ASN 793           HB2      ASN 793   9.268 -19.522 -15.378
  329    HB3  ASN 793           HB3      ASN 793   9.642 -19.185 -13.681
  330   HD21  ASN 793          HD21      ASN 793  11.206 -20.712 -12.575
  331   HD22  ASN 793          HD22      ASN 793  12.480 -21.401 -13.572
  332    H    GLY 794           H        GLY 794   7.785 -20.135 -11.713
  333    HA2  GLY 794           HA2      GLY 794   5.479 -18.452 -12.490
  334    HA3  GLY 794           HA3      GLY 794   5.177 -19.808 -11.394
  335    H    VAL 795           H        VAL 795   4.541 -18.287  -9.777
  336    HA   VAL 795           HA       VAL 795   6.755 -17.297  -8.125
  337    HB   VAL 795           HB       VAL 795   6.374 -15.334  -9.441
  338   HG11  VAL 795          HG11      VAL 795   4.210 -14.193  -9.631
  339   HG12  VAL 795          HG12      VAL 795   4.136 -15.815 -10.336
  340   HG13  VAL 795          HG13      VAL 795   3.418 -15.503  -8.740
  341   HG21  VAL 795          HG21      VAL 795   6.706 -14.895  -7.021
  342   HG22  VAL 795          HG22      VAL 795   5.715 -13.647  -7.797
  343   HG23  VAL 795          HG23      VAL 795   4.939 -14.878  -6.785
  344    H    LYS 796           H        LYS 796   6.395 -17.390  -6.006
  345    HA   LYS 796           HA       LYS 796   3.745 -18.452  -5.120
  346    HB2  LYS 796           HB2      LYS 796   4.887 -19.829  -3.545
  347    HB3  LYS 796           HB3      LYS 796   5.555 -20.067  -5.149
  348    HG2  LYS 796           HG2      LYS 796   7.243 -18.096  -4.104
  349    HG3  LYS 796           HG3      LYS 796   6.853 -19.050  -2.682
  350    HD2  LYS 796           HD2      LYS 796   7.947 -20.065  -5.335
  351    HD3  LYS 796           HD3      LYS 796   8.920 -19.791  -3.901
  352    HE2  LYS 796           HE2      LYS 796   6.629 -21.794  -4.017
  353    HE3  LYS 796           HE3      LYS 796   8.293 -22.210  -4.374
  354    HZ1  LYS 796           HZ1      LYS 796   7.343 -21.171  -1.768
  355    HZ2  LYS 796           HZ2      LYS 796   8.901 -21.521  -2.125
  356    HZ3  LYS 796           HZ3      LYS 796   7.783 -22.715  -2.096
  357    H    ARG 797           H        ARG 797   2.768 -17.757  -3.357
  358    HA   ARG 797           HA       ARG 797   3.931 -15.570  -1.700
  359    HB2  ARG 797           HB2      ARG 797   1.248 -15.019  -1.620
  360    HB3  ARG 797           HB3      ARG 797   2.450 -14.132  -2.524
  361    HG2  ARG 797           HG2      ARG 797   0.941 -16.420  -3.826
  362    HG3  ARG 797           HG3      ARG 797   0.220 -14.821  -3.649
  363    HD2  ARG 797           HD2      ARG 797   1.944 -13.755  -4.917
  364    HD3  ARG 797           HD3      ARG 797   2.918 -15.220  -5.007
  365    HE   ARG 797           HE       ARG 797   0.829 -16.190  -6.218
  366   HH11  ARG 797          HH11      ARG 797   2.046 -12.853  -6.727
  367   HH12  ARG 797          HH12      ARG 797   1.359 -12.810  -8.321
  368   HH21  ARG 797          HH21      ARG 797   0.160 -16.047  -8.338
  369   HH22  ARG 797          HH22      ARG 797   0.320 -14.549  -9.214
  370    H    PHE 798           H        PHE 798   3.009 -15.391   0.393
  371    HA   PHE 798           HA       PHE 798   2.552 -18.105   1.545
  372    HB2  PHE 798           HB2      PHE 798   3.955 -15.713   2.769
  373    HB3  PHE 798           HB3      PHE 798   4.023 -17.389   3.303
  374    HD1  PHE 798           HD1      PHE 798   5.156 -19.120   1.739
  375    HD2  PHE 798           HD2      PHE 798   5.539 -14.844   1.201
  376    HE1  PHE 798           HE1      PHE 798   7.057 -19.462   0.183
  377    HE2  PHE 798           HE2      PHE 798   7.364 -15.201  -0.364
  378    HZ   PHE 798           HZ       PHE 798   8.146 -17.514  -0.903
  379    H    PHE 799           H        PHE 799   1.210 -18.404   3.344
  380    HA   PHE 799           HA       PHE 799  -0.523 -16.126   4.139
  381    HB2  PHE 799           HB2      PHE 799  -1.571 -18.797   3.158
  382    HB3  PHE 799           HB3      PHE 799  -2.519 -17.447   3.771
  383    HD1  PHE 799           HD2      PHE 799  -0.369 -18.612   0.951
  384    HD2  PHE 799           HD1      PHE 799  -3.077 -15.571   2.355
  385    HE1  PHE 799           HE2      PHE 799  -0.412 -17.601  -1.314
  386    HE2  PHE 799           HE1      PHE 799  -3.145 -14.582   0.086
  387    HZ   PHE 799           HZ       PHE 799  -1.772 -15.569  -1.747
  388    H    LYS 800           H        LYS 800  -1.589 -16.287   6.042
  389    HA   LYS 800           HA       LYS 800  -0.912 -18.533   7.908
  390    HB2  LYS 800           HB2      LYS 800   0.605 -16.602   8.221
  391    HB3  LYS 800           HB3      LYS 800  -0.774 -15.528   8.445
  392    HG2  LYS 800           HG2      LYS 800  -1.420 -16.748  10.485
  393    HG3  LYS 800           HG3      LYS 800  -0.091 -17.893  10.250
  394    HD2  LYS 800           HD2      LYS 800   1.551 -16.057  10.495
  395    HD3  LYS 800           HD3      LYS 800   0.224 -14.893  10.692
  396    HE2  LYS 800           HE2      LYS 800  -0.561 -16.181  12.696
  397    HE3  LYS 800           HE3      LYS 800   0.821 -17.273  12.512
  398    HZ1  LYS 800           HZ1      LYS 800   2.288 -15.369  12.856
  399    HZ2  LYS 800           HZ2      LYS 800   1.279 -15.532  14.133
  400    HZ3  LYS 800           HZ3      LYS 800   1.016 -14.361  13.028
  401    H    CYS 801           H        CYS 801  -2.471 -19.200   9.245
  402    HA   CYS 801           HA       CYS 801  -5.227 -18.102   9.094
  403    HB2  CYS 801           HB2      CYS 801  -4.735 -20.522   8.625
  404    HB3  CYS 801           HB3      CYS 801  -4.036 -20.671  10.240
  405    HA   PRO 802           HA       PRO 802  -4.766 -16.203  13.099
  406    HB2  PRO 802           HB2      PRO 802  -7.289 -16.593  14.247
  407    HB3  PRO 802           HB3      PRO 802  -6.820 -15.307  13.100
  408    HG2  PRO 802           HG2      PRO 802  -8.133 -17.961  12.493
  409    HG3  PRO 802           HG3      PRO 802  -8.571 -16.336  11.867
  410    HD2  PRO 802           HD2      PRO 802  -7.106 -17.954  10.343
  411    HD3  PRO 802           HD3      PRO 802  -6.618 -16.251  10.489
  412    H    CYS 803           H        CYS 803  -5.575 -19.669  13.056
  413    HA   CYS 803           HA       CYS 803  -5.056 -20.012  15.905
  414    HB2  CYS 803           HB2      CYS 803  -5.325 -22.337  15.517
  415    HB3  CYS 803           HB3      CYS 803  -6.577 -21.491  14.613
  416    H    GLY 804           H        GLY 804  -3.029 -19.411  13.288
  417    HA2  GLY 804           HA2      GLY 804  -0.701 -19.008  13.521
  418    HA3  GLY 804           HA3      GLY 804  -0.564 -20.320  14.716
  419    H    ASN 805           H        ASN 805  -2.428 -21.727  12.418
  420    HA   ASN 805           HA       ASN 805  -0.267 -23.179  11.177
  421    HB2  ASN 805           HB2      ASN 805  -2.531 -24.127  11.674
  422    HB3  ASN 805           HB3      ASN 805  -3.209 -23.065  10.435
  423   HD21  ASN 805          HD21      ASN 805  -3.947 -24.758   9.071
  424   HD22  ASN 805          HD22      ASN 805  -2.787 -25.779   8.199
  425    H    ARG 806           H        ARG 806   0.330 -23.212   8.897
  426    HA   ARG 806           HA       ARG 806  -0.243 -20.711   7.375
  427    HB2  ARG 806           HB2      ARG 806   2.498 -21.883   7.963
  428    HB3  ARG 806           HB3      ARG 806   2.162 -20.483   6.926
  429    HG2  ARG 806           HG2      ARG 806   1.085 -19.339   8.877
  430    HG3  ARG 806           HG3      ARG 806   1.572 -20.677   9.914
  431    HD2  ARG 806           HD2      ARG 806   3.411 -18.803   8.413
  432    HD3  ARG 806           HD3      ARG 806   3.039 -18.766  10.135
  433    HE   ARG 806           HE       ARG 806   4.982 -20.434   8.817
  434   HH11  ARG 806          HH11      ARG 806   2.784 -20.584  11.626
  435   HH12  ARG 806          HH12      ARG 806   3.837 -21.670  12.470
  436   HH21  ARG 806          HH21      ARG 806   6.239 -21.859   9.975
  437   HH22  ARG 806          HH22      ARG 806   5.740 -22.390  11.551
  438    H    THR 807           H        THR 807   0.388 -20.736   5.140
  439    HA   THR 807           HA       THR 807   0.979 -23.240   3.778
  440    HB   THR 807           HB       THR 807  -1.515 -23.351   4.280
  441    HG1  THR 807           HG1      THR 807  -0.642 -24.645   2.735
  442   HG21  THR 807          HG21      THR 807  -2.103 -20.999   3.747
  443   HG22  THR 807          HG22      THR 807  -3.044 -22.170   2.822
  444   HG23  THR 807          HG23      THR 807  -1.716 -21.291   2.037
  445    H    ILE 808           H        ILE 808   0.520 -22.773   1.286
  446    HA   ILE 808           HA       ILE 808   1.724 -20.165   0.494
  447    HB   ILE 808           HB       ILE 808   2.987 -22.795  -0.360
  448   HG12  ILE 808          HG12      ILE 808   3.890 -21.013   1.929
  449   HG13  ILE 808          HG13      ILE 808   3.390 -22.706   2.015
  450   HG21  ILE 808          HG21      ILE 808   4.089 -19.960  -0.480
  451   HG22  ILE 808          HG22      ILE 808   4.793 -21.418  -1.208
  452   HG23  ILE 808          HG23      ILE 808   3.300 -20.763  -1.839
  453   HD11  ILE 808          HD11      ILE 808   5.369 -23.360   0.647
  454   HD12  ILE 808          HD12      ILE 808   5.948 -21.673   0.761
  455   HD13  ILE 808          HD13      ILE 808   5.750 -22.644   2.221
  456    H    SER 809           H        SER 809   1.280 -19.628  -1.702
  457    HA   SER 809           HA       SER 809  -0.019 -21.632  -3.451
  458    HB2  SER 809           HB2      SER 809  -1.886 -20.598  -2.108
  459    HB3  SER 809           HB3      SER 809  -1.421 -19.008  -2.733
  460    HG   SER 809           HG       SER 809  -3.107 -19.945  -3.965
  461    H    LEU 810           H        LEU 810  -0.399 -20.937  -5.529
  462    HA   LEU 810           HA       LEU 810   1.698 -19.166  -6.639
  463    HB2  LEU 810           HB2      LEU 810  -0.103 -21.254  -7.957
  464    HB3  LEU 810           HB3      LEU 810   1.199 -20.353  -8.720
  465    HG   LEU 810           HG       LEU 810   2.023 -22.490  -8.377
  466   HD11  LEU 810          HD11      LEU 810   3.181 -20.832  -6.103
  467   HD12  LEU 810          HD12      LEU 810   3.616 -20.677  -7.819
  468   HD13  LEU 810          HD13      LEU 810   3.970 -22.178  -6.950
  469   HD21  LEU 810          HD21      LEU 810   2.081 -23.819  -6.425
  470   HD22  LEU 810          HD22      LEU 810   0.404 -23.324  -6.717
  471   HD23  LEU 810          HD23      LEU 810   1.354 -22.561  -5.434
  472    H    ASP 811           H        ASP 811  -1.535 -19.021  -5.779
  473    HA   ASP 811           HA       ASP 811  -2.151 -16.783  -7.680
  474    HB2  ASP 811           HB2      ASP 811  -3.965 -18.705  -6.166
  475    HB3  ASP 811           HB3      ASP 811  -4.537 -17.259  -6.996
  476    H    ARG 812           H        ARG 812  -3.714 -15.196  -6.598
  477    HA   ARG 812           HA       ARG 812  -2.442 -13.854  -4.471
  478    HB2  ARG 812           HB2      ARG 812  -4.317 -12.339  -4.534
  479    HB3  ARG 812           HB3      ARG 812  -3.703 -12.704  -6.134
  480    HG2  ARG 812           HG2      ARG 812  -5.585 -14.237  -6.565
  481    HG3  ARG 812           HG3      ARG 812  -6.199 -14.010  -4.924
  482    HD2  ARG 812           HD2      ARG 812  -5.741 -11.727  -6.870
  483    HD3  ARG 812           HD3      ARG 812  -7.282 -12.623  -6.789
  484    HE   ARG 812           HE       ARG 812  -6.698 -11.795  -4.163
  485   HH11  ARG 812          HH11      ARG 812  -7.511 -10.208  -7.216
  486   HH12  ARG 812          HH12      ARG 812  -8.238  -8.841  -6.414
  487   HH21  ARG 812          HH21      ARG 812  -7.626 -10.007  -3.194
  488   HH22  ARG 812          HH22      ARG 812  -8.293  -8.731  -4.180
  489    H    LEU 813           H        LEU 813  -4.467 -16.552  -4.190
  490    HA   LEU 813           HA       LEU 813  -4.588 -16.404  -1.289
  491    HB2  LEU 813           HB2      LEU 813  -6.668 -15.166  -2.230
  492    HB3  LEU 813           HB3      LEU 813  -7.162 -16.712  -2.889
  493    HG   LEU 813           HG       LEU 813  -7.155 -17.597  -0.476
  494   HD11  LEU 813          HD11      LEU 813  -7.285 -15.935   1.334
  495   HD12  LEU 813          HD12      LEU 813  -6.997 -14.617   0.179
  496   HD13  LEU 813          HD13      LEU 813  -5.715 -15.782   0.519
  497   HD21  LEU 813          HD21      LEU 813  -9.330 -16.576   0.051
  498   HD22  LEU 813          HD22      LEU 813  -9.216 -16.985  -1.665
  499   HD23  LEU 813          HD23      LEU 813  -9.037 -15.296  -1.151
  500    HA   PRO 814           HA       PRO 814  -4.182 -20.825  -2.232
  501    HB2  PRO 814           HB2      PRO 814  -4.702 -21.980   0.200
  502    HB3  PRO 814           HB3      PRO 814  -3.171 -21.108  -0.162
  503    HG2  PRO 814           HG2      PRO 814  -5.657 -20.019   1.171
  504    HG3  PRO 814           HG3      PRO 814  -3.961 -19.892   1.760
  505    HD2  PRO 814           HD2      PRO 814  -5.118 -17.881   0.416
  506    HD3  PRO 814           HD3      PRO 814  -3.427 -18.326   0.053
  507    H    LYS 815           H        LYS 815  -5.481 -22.631  -2.622
  508    HA   LYS 815           HA       LYS 815  -8.377 -22.046  -2.781
  509    HB2  LYS 815           HB2      LYS 815  -8.386 -23.828  -4.467
  510    HB3  LYS 815           HB3      LYS 815  -7.223 -22.562  -4.804
  511    HG2  LYS 815           HG2      LYS 815  -6.090 -24.455  -5.411
  512    HG3  LYS 815           HG3      LYS 815  -5.413 -24.147  -3.824
  513    HD2  LYS 815           HD2      LYS 815  -6.992 -25.910  -2.892
  514    HD3  LYS 815           HD3      LYS 815  -7.539 -26.229  -4.536
  515    HE2  LYS 815           HE2      LYS 815  -4.669 -26.489  -3.526
  516    HE3  LYS 815           HE3      LYS 815  -5.805 -27.833  -3.713
  517    HZ1  LYS 815           HZ1      LYS 815  -5.849 -27.429  -6.085
  518    HZ2  LYS 815           HZ2      LYS 815  -4.292 -27.607  -5.614
  519    HZ3  LYS 815           HZ3      LYS 815  -4.880 -26.121  -5.947
  520    H    LYS 816           H        LYS 816  -6.558 -23.518  -0.510
  521    HA   LYS 816           HA       LYS 816  -8.504 -25.703   0.085
  522    HB2  LYS 816           HB2      LYS 816  -6.626 -26.912   1.090
  523    HB3  LYS 816           HB3      LYS 816  -6.436 -26.603  -0.615
  524    HG2  LYS 816           HG2      LYS 816  -4.301 -26.198   0.090
  525    HG3  LYS 816           HG3      LYS 816  -4.940 -24.574   0.094
  526    HD2  LYS 816           HD2      LYS 816  -3.690 -24.798   2.093
  527    HD3  LYS 816           HD3      LYS 816  -5.366 -24.864   2.608
  528    HE2  LYS 816           HE2      LYS 816  -5.162 -27.434   2.504
  529    HE3  LYS 816           HE3      LYS 816  -3.434 -27.198   2.232
  530    HZ1  LYS 816           HZ1      LYS 816  -3.921 -27.534   4.587
  531    HZ2  LYS 816           HZ2      LYS 816  -4.995 -26.310   4.585
  532    HZ3  LYS 816           HZ3      LYS 816  -3.383 -26.002   4.385
  533    H    HIS 817           H        HIS 817  -8.916 -26.259   2.285
  534    HA   HIS 817           HA       HIS 817  -9.211 -23.941   4.073
  535    HB2  HIS 817           HB2      HIS 817  -9.940 -26.858   4.496
  536    HB3  HIS 817           HB3      HIS 817 -10.503 -25.483   5.443
  537    HD1  HIS 817           HD1      HIS 817 -12.339 -27.594   3.634
  538    HD2  HIS 817           HD2      HIS 817 -11.321 -23.590   2.854
  539    HE1  HIS 817           HE1      HIS 817 -14.134 -26.686   2.071
  540    H    CYS 818           H        CYS 818  -8.615 -24.142   6.428
  541    HA   CYS 818           HA       CYS 818  -5.858 -24.711   6.834
  542    HB2  CYS 818           HB2      CYS 818  -7.120 -23.075   8.077
  543    HB3  CYS 818           HB3      CYS 818  -8.174 -24.327   8.747
  544    H    SER 819           H        SER 819  -4.751 -26.441   7.440
  545    HA   SER 819           HA       SER 819  -5.912 -29.097   7.564
  546    HB2  SER 819           HB2      SER 819  -3.114 -28.230   8.369
  547    HB3  SER 819           HB3      SER 819  -3.654 -29.846   7.902
  548    HG   SER 819           HG       SER 819  -2.617 -28.859   6.161
  549    H    THR 820           H        THR 820  -5.464 -26.646   9.942
  550    HA   THR 820           HA       THR 820  -5.156 -28.571  12.203
  551    HB   THR 820           HB       THR 820  -4.551 -25.607  11.936
  552    HG1  THR 820           HG1      THR 820  -2.383 -26.530  12.190
  553   HG21  THR 820          HG21      THR 820  -3.325 -25.843  14.071
  554   HG22  THR 820          HG22      THR 820  -4.018 -27.483  14.284
  555   HG23  THR 820          HG23      THR 820  -5.072 -26.038  14.279
  556    H    CYS 821           H        CYS 821  -7.313 -25.971  11.030
  557    HA   CYS 821           HA       CYS 821  -9.292 -26.869  13.069
  558    HB2  CYS 821           HB2      CYS 821  -9.826 -24.679  13.723
  559    HB3  CYS 821           HB3      CYS 821  -8.085 -24.874  13.928
  560    H    GLY 822           H        GLY 822  -8.816 -26.020   9.805
  561    HA2  GLY 822           HA2      GLY 822 -10.291 -26.608   8.074
  562    HA3  GLY 822           HA3      GLY 822 -11.627 -26.712   9.236
  563    H    LEU 823           H        LEU 823 -10.135 -23.697   9.614
  564    HA   LEU 823           HA       LEU 823 -12.286 -22.213   8.395
  565    HB2  LEU 823           HB2      LEU 823  -9.530 -21.393   9.417
  566    HB3  LEU 823           HB3      LEU 823 -10.731 -20.234   8.882
  567    HG   LEU 823           HG       LEU 823 -11.091 -22.147  11.208
  568   HD11  LEU 823          HD11      LEU 823 -10.537 -19.137  11.073
  569   HD12  LEU 823          HD12      LEU 823  -9.404 -20.373  11.627
  570   HD13  LEU 823          HD13      LEU 823 -10.871 -20.048  12.561
  571   HD21  LEU 823          HD21      LEU 823 -13.081 -20.686  11.740
  572   HD22  LEU 823          HD22      LEU 823 -13.283 -21.617  10.253
  573   HD23  LEU 823          HD23      LEU 823 -12.862 -19.885  10.171
  574    H    PHE 824           H        PHE 824 -12.003 -20.434   6.940
  575    HA   PHE 824           HA       PHE 824  -9.878 -20.674   4.907
  576    HB2  PHE 824           HB2      PHE 824 -12.044 -21.722   4.074
  577    HB3  PHE 824           HB3      PHE 824 -12.785 -20.133   4.172
  578    HD1  PHE 824           HD2      PHE 824  -9.665 -21.784   2.835
  579    HD2  PHE 824           HD1      PHE 824 -12.739 -18.829   2.178
  580    HE1  PHE 824           HE2      PHE 824  -8.654 -21.223   0.659
  581    HE2  PHE 824           HE1      PHE 824 -11.732 -18.281  -0.027
  582    HZ   PHE 824           HZ       PHE 824  -9.699 -19.485  -0.798
  583    H    LYS 825           H        LYS 825  -9.555 -19.168   6.971
  584    HA   LYS 825           HA       LYS 825 -10.317 -16.344   6.337
  585    HB2  LYS 825           HB2      LYS 825  -9.692 -17.694   8.993
  586    HB3  LYS 825           HB3      LYS 825  -9.919 -15.955   8.764
  587    HG2  LYS 825           HG2      LYS 825 -12.200 -16.502   7.713
  588    HG3  LYS 825           HG3      LYS 825 -11.986 -18.147   8.342
  589    HD2  LYS 825           HD2      LYS 825 -11.640 -17.145  10.621
  590    HD3  LYS 825           HD3      LYS 825 -11.952 -15.549   9.939
  591    HE2  LYS 825           HE2      LYS 825 -13.946 -17.876   9.907
  592    HE3  LYS 825           HE3      LYS 825 -13.921 -16.606  11.122
  593    HZ1  LYS 825           HZ1      LYS 825 -14.360 -16.134   8.235
  594    HZ2  LYS 825           HZ2      LYS 825 -14.344 -14.978   9.388
  595    HZ3  LYS 825           HZ3      LYS 825 -15.520 -16.114   9.394
  596    H    TRP 826           H        TRP 826  -8.058 -17.969   5.305
  597    HA   TRP 826           HA       TRP 826  -5.529 -17.354   6.151
  598    HB2  TRP 826           HB2      TRP 826  -6.578 -17.405   3.298
  599    HB3  TRP 826           HB3      TRP 826  -4.887 -17.479   3.730
  600    HD1  TRP 826           HD1      TRP 826  -7.646 -19.652   2.891
  601    HE1  TRP 826           HE1      TRP 826  -7.053 -22.107   3.315
  602    HE3  TRP 826           HE3      TRP 826  -3.612 -18.983   5.961
  603    HZ2  TRP 826           HZ2      TRP 826  -5.179 -23.598   4.951
  604    HZ3  TRP 826           HZ3      TRP 826  -2.468 -20.938   6.976
  605    HH2  TRP 826           HH2      TRP 826  -3.230 -23.249   6.463
  606    H    GLU 827           H        GLU 827  -4.269 -15.669   6.436
  607    HA   GLU 827           HA       GLU 827  -4.858 -13.020   5.183
  608    HB2  GLU 827           HB2      GLU 827  -4.803 -13.102   7.625
  609    HB3  GLU 827           HB3      GLU 827  -3.205 -13.850   7.619
  610    HG2  GLU 827           HG2      GLU 827  -2.179 -11.865   6.710
  611    HG3  GLU 827           HG3      GLU 827  -3.736 -11.115   6.398
  612    H    ARG 828           H        ARG 828  -3.448 -12.232   3.692
  613    HA   ARG 828           HA       ARG 828  -1.227 -13.743   2.663
  614    HB2  ARG 828           HB2      ARG 828  -2.513 -12.126   1.309
  615    HB3  ARG 828           HB3      ARG 828  -1.978 -10.810   2.351
  616    HG2  ARG 828           HG2      ARG 828  -0.681 -10.722   0.364
  617    HG3  ARG 828           HG3      ARG 828   0.396 -11.254   1.637
  618    HD2  ARG 828           HD2      ARG 828   0.970 -13.069   0.461
  619    HD3  ARG 828           HD3      ARG 828  -0.695 -13.621   0.432
  620    HE   ARG 828           HE       ARG 828  -0.991 -12.770  -1.712
  621   HH11  ARG 828          HH11      ARG 828   2.178 -11.597  -0.547
  622   HH12  ARG 828          HH12      ARG 828   2.594 -11.047  -2.176
  623   HH21  ARG 828          HH21      ARG 828  -0.289 -11.884  -3.721
  624   HH22  ARG 828          HH22      ARG 828   1.331 -11.205  -3.796
  625    H    VAL 829           H        VAL 829   0.737 -13.930   3.417
  626    HA   VAL 829           HA       VAL 829   2.042 -11.731   4.936
  627    HB   VAL 829           HB       VAL 829   3.308 -13.282   6.301
  628   HG11  VAL 829          HG11      VAL 829   1.580 -13.836   7.909
  629   HG12  VAL 829          HG12      VAL 829   1.237 -12.259   7.170
  630   HG13  VAL 829          HG13      VAL 829   0.320 -13.709   6.671
  631   HG21  VAL 829          HG21      VAL 829   3.215 -15.339   4.910
  632   HG22  VAL 829          HG22      VAL 829   2.674 -15.635   6.574
  633   HG23  VAL 829          HG23      VAL 829   1.479 -15.496   5.280
  634    H    GLY 830           H        GLY 830   4.606 -12.341   4.934
  635    HA2  GLY 830           HA2      GLY 830   5.265 -12.547   1.992
  636    HA3  GLY 830           HA3      GLY 830   5.969 -11.414   3.152
  637    H    MET 831           H        MET 831   7.342 -13.146   1.388
  638    HA   MET 831           HA       MET 831   9.391 -13.624   3.183
  639    HB2  MET 831           HB2      MET 831   8.352 -15.741   3.781
  640    HB3  MET 831           HB3      MET 831   8.323 -16.237   2.106
  641    HG2  MET 831           HG2      MET 831  10.086 -17.340   3.313
  642    HG3  MET 831           HG3      MET 831  10.735 -16.340   2.022
  643    HE1  MET 831           HE1      MET 831  13.608 -16.236   4.538
  644    HE2  MET 831           HE2      MET 831  12.543 -17.601   4.108
  645    HE3  MET 831           HE3      MET 831  13.105 -16.468   2.858
  646    H    LEU 832           H        LEU 832  11.392 -13.648   2.362
  647    HA   LEU 832           HA       LEU 832  12.151 -14.002  -0.348
  648    HB2  LEU 832           HB2      LEU 832  12.472 -11.711  -1.066
  649    HB3  LEU 832           HB3      LEU 832  10.793 -12.107  -0.854
  650    HG   LEU 832           HG       LEU 832  11.069  -9.884  -0.211
  651   HD11  LEU 832          HD11      LEU 832  10.989 -11.234   2.516
  652   HD12  LEU 832          HD12      LEU 832   9.619 -11.205   1.381
  653   HD13  LEU 832          HD13      LEU 832  10.264  -9.690   2.015
  654   HD21  LEU 832          HD21      LEU 832  12.626  -8.971   1.330
  655   HD22  LEU 832          HD22      LEU 832  13.512  -9.882   0.107
  656   HD23  LEU 832          HD23      LEU 832  13.287 -10.560   1.731
  657    H    LYS 833           H        LYS 833  14.375 -13.426  -0.755
  658    HA   LYS 833           HA       LYS 833  15.889 -14.006   1.710
  659    HB2  LYS 833           HB2      LYS 833  17.529 -14.980   0.222
  660    HB3  LYS 833           HB3      LYS 833  15.926 -15.596  -0.151
  661    HG2  LYS 833           HG2      LYS 833  15.747 -14.091  -2.089
  662    HG3  LYS 833           HG3      LYS 833  17.315 -13.377  -1.724
  663    HD2  LYS 833           HD2      LYS 833  16.859 -16.307  -2.412
  664    HD3  LYS 833           HD3      LYS 833  17.340 -15.064  -3.573
  665    HE2  LYS 833           HE2      LYS 833  19.393 -14.606  -2.185
  666    HE3  LYS 833           HE3      LYS 833  18.921 -15.941  -1.111
  667    HZ1  LYS 833           HZ1      LYS 833  20.514 -16.685  -2.750
  668    HZ2  LYS 833           HZ2      LYS 833  19.560 -16.207  -3.999
  669    HZ3  LYS 833           HZ3      LYS 833  19.096 -17.441  -3.025
  670    H    GLU 834           H        GLU 834  15.411 -11.219   0.132
  671    HA   GLU 834           HA       GLU 834  18.204 -10.189   0.288
  672    HB2  GLU 834           HB2      GLU 834  15.703  -9.046  -1.017
  673    HB3  GLU 834           HB3      GLU 834  17.259  -8.217  -0.963
  674    HG2  GLU 834           HG2      GLU 834  16.727 -10.908  -2.306
  675    HG3  GLU 834           HG3      GLU 834  16.857  -9.351  -3.114
  676    H    LYS 835           H        LYS 835  18.764  -8.270   1.355
  677    HA   LYS 835           HA       LYS 835  17.211  -7.529   3.725
  678    HB2  LYS 835           HB2      LYS 835  19.170  -6.029   4.093
  679    HB3  LYS 835           HB3      LYS 835  19.593  -7.728   3.910
  680    HG2  LYS 835           HG2      LYS 835  20.295  -7.349   1.553
  681    HG3  LYS 835           HG3      LYS 835  19.775  -5.663   1.665
  682    HD2  LYS 835           HD2      LYS 835  22.161  -5.867   1.825
  683    HD3  LYS 835           HD3      LYS 835  21.497  -5.237   3.345
  684    HE2  LYS 835           HE2      LYS 835  21.699  -7.512   4.363
  685    HE3  LYS 835           HE3      LYS 835  22.312  -8.137   2.833
  686    HZ1  LYS 835           HZ1      LYS 835  24.118  -7.638   4.370
  687    HZ2  LYS 835           HZ2      LYS 835  23.663  -6.070   4.485
  688    HZ3  LYS 835           HZ3      LYS 835  24.230  -6.659   3.066
  689    H    THR 836           H        THR 836  16.733  -5.257   4.206
  690    HA   THR 836           HA       THR 836  16.512  -3.229   2.176
  691    HB   THR 836           HB       THR 836  14.601  -4.715   1.524
  692    HG1  THR 836           HG1      THR 836  13.237  -2.943   1.311
  693   HG21  THR 836          HG21      THR 836  13.875  -5.440   3.798
  694   HG22  THR 836          HG22      THR 836  12.561  -4.707   2.858
  695   HG23  THR 836          HG23      THR 836  13.340  -3.775   4.147
  696    H    GLY 837           H        GLY 837  15.616  -1.239   3.000
  697    HA2  GLY 837           HA2      GLY 837  16.186  -0.882   5.909
  698    HA3  GLY 837           HA3      GLY 837  16.309   0.375   4.666
  699    HA   PRO 838           HA       PRO 838  12.011   0.466   6.718
  700    HB2  PRO 838           HB2      PRO 838  12.323   2.274   8.726
  701    HB3  PRO 838           HB3      PRO 838  12.680   0.530   8.924
  702    HG2  PRO 838           HG2      PRO 838  14.638   2.780   8.368
  703    HG3  PRO 838           HG3      PRO 838  14.761   1.473   9.583
  704    HD2  PRO 838           HD2      PRO 838  15.987   1.337   7.141
  705    HD3  PRO 838           HD3      PRO 838  15.344  -0.116   7.969
  706    H    LYS 839           H        LYS 839  11.161   1.455   4.950
  707    HA   LYS 839           HA       LYS 839  12.295   3.713   3.714
  708    HB2  LYS 839           HB2      LYS 839  10.677   3.452   2.065
  709    HB3  LYS 839           HB3      LYS 839  10.987   1.835   2.651
  710    HG2  LYS 839           HG2      LYS 839   8.553   3.569   3.309
  711    HG3  LYS 839           HG3      LYS 839   8.611   2.250   2.155
  712    HD2  LYS 839           HD2      LYS 839   9.087   0.649   4.007
  713    HD3  LYS 839           HD3      LYS 839   8.903   1.988   5.172
  714    HE2  LYS 839           HE2      LYS 839   6.617   2.415   4.352
  715    HE3  LYS 839           HE3      LYS 839   6.772   1.097   3.185
  716    HZ1  LYS 839           HZ1      LYS 839   5.614   0.371   5.177
  717    HZ2  LYS 839           HZ2      LYS 839   6.873   0.780   6.140
  718    HZ3  LYS 839           HZ3      LYS 839   7.022  -0.438   5.056
  719    H    LEU 840           H        LEU 840  10.114   3.780   6.328
  720    HA   LEU 840           HA       LEU 840   8.837   6.319   5.667
  721    HB2  LEU 840           HB2      LEU 840   7.541   6.030   7.564
  722    HB3  LEU 840           HB3      LEU 840   7.727   4.421   6.912
  723    HG   LEU 840           HG       LEU 840   9.182   5.568   9.346
  724   HD11  LEU 840          HD11      LEU 840   7.759   4.039  10.628
  725   HD12  LEU 840          HD12      LEU 840   6.985   3.477   9.127
  726   HD13  LEU 840          HD13      LEU 840   6.764   5.152   9.676
  727   HD21  LEU 840          HD21      LEU 840   9.892   3.212   9.790
  728   HD22  LEU 840          HD22      LEU 840  10.644   3.885   8.342
  729   HD23  LEU 840          HD23      LEU 840   9.288   2.739   8.190
  730    H    GLY 841           H        GLY 841  11.848   5.547   7.143
  731    HA2  GLY 841           HA2      GLY 841  13.504   6.955   7.974
  732    HA3  GLY 841           HA3      GLY 841  12.446   8.344   7.680
  733    H    GLY 842           H        GLY 842  12.788   9.372   9.599
  734    HA2  GLY 842           HA2      GLY 842  11.169   8.778  11.849
  735    HA3  GLY 842           HA3      GLY 842  12.805   8.249  12.233
  Start of MODEL   10
    1    H1   GLY  -4           H1       GLY  -4  22.115 -12.303   3.202
    2    H2   GLY  -4           H2       GLY  -4  21.822 -10.838   3.863
    3    H3   GLY  -4           H3       GLY  -4  22.472 -10.945   2.356
    4    HA2  GLY  -4           HA2      GLY  -4  19.781 -11.809   3.134
    5    HA3  GLY  -4           HA3      GLY  -4  20.160 -10.344   2.211
    6    HA   PRO  -3           HA       PRO  -3  19.461 -14.027  -0.680
    7    HB2  PRO  -3           HB2      PRO  -3  17.103 -13.299  -1.835
    8    HB3  PRO  -3           HB3      PRO  -3  17.159 -14.132  -0.250
    9    HG2  PRO  -3           HG2      PRO  -3  16.901 -11.154  -0.760
   10    HG3  PRO  -3           HG3      PRO  -3  15.907 -12.192   0.312
   11    HD2  PRO  -3           HD2      PRO  -3  17.994 -10.716   1.256
   12    HD3  PRO  -3           HD3      PRO  -3  17.626 -12.338   1.920
   13    H    MET  -2           H        MET  -2  19.681 -13.980  -2.989
   14    HA   MET  -2           HA       MET  -2  21.016 -11.582  -3.989
   15    HB2  MET  -2           HB2      MET  -2  20.465 -14.245  -5.373
   16    HB3  MET  -2           HB3      MET  -2  21.504 -12.948  -5.955
   17    HG2  MET  -2           HG2      MET  -2  23.007 -14.426  -5.022
   18    HG3  MET  -2           HG3      MET  -2  22.828 -13.209  -3.768
   19    HE1  MET  -2           HE1      MET  -2  23.565 -16.395  -1.682
   20    HE2  MET  -2           HE2      MET  -2  24.266 -15.889  -3.227
   21    HE3  MET  -2           HE3      MET  -2  23.953 -14.676  -1.968
   22    H    GLY  -1           H        GLY  -1  18.112 -13.423  -5.040
   23    HA2  GLY  -1           HA2      GLY  -1  17.404 -11.287  -6.982
   24    HA3  GLY  -1           HA3      GLY  -1  16.696 -12.906  -6.858
   25    H    MET 755           H        MET 755  16.180 -12.681  -3.981
   26    HA   MET 755           HA       MET 755  13.524 -11.539  -4.234
   27    HB2  MET 755           HB2      MET 755  14.738 -12.953  -1.819
   28    HB3  MET 755           HB3      MET 755  13.038 -12.680  -2.185
   29    HG2  MET 755           HG2      MET 755  13.357 -14.900  -2.727
   30    HG3  MET 755           HG3      MET 755  13.374 -14.078  -4.283
   31    HE1  MET 755           HE1      MET 755  15.691 -17.188  -4.815
   32    HE2  MET 755           HE2      MET 755  14.226 -17.083  -3.817
   33    HE3  MET 755           HE3      MET 755  14.290 -16.274  -5.405
   34    H    GLN 756           H        GLN 756  15.521  -9.496  -4.198
   35    HA   GLN 756           HA       GLN 756  15.484  -8.191  -1.554
   36    HB2  GLN 756           HB2      GLN 756  16.647  -7.321  -4.234
   37    HB3  GLN 756           HB3      GLN 756  16.874  -6.507  -2.682
   38    HG2  GLN 756           HG2      GLN 756  17.958  -8.568  -1.775
   39    HG3  GLN 756           HG3      GLN 756  17.827  -9.320  -3.373
   40   HE21  GLN 756          HE21      GLN 756  20.296  -9.339  -2.523
   41   HE22  GLN 756          HE22      GLN 756  21.269  -8.035  -3.206
   42    H    SER 757           H        SER 757  13.326  -8.200  -4.194
   43    HA   SER 757           HA       SER 757  12.348  -5.424  -3.888
   44    HB2  SER 757           HB2      SER 757  10.901  -6.027  -5.742
   45    HB3  SER 757           HB3      SER 757  12.625  -6.245  -6.088
   46    HG   SER 757           HG       SER 757  11.470  -8.038  -6.866
   47    H    ILE 758           H        ILE 758  10.124  -7.822  -4.489
   48    HA   ILE 758           HA       ILE 758   8.401  -6.900  -2.247
   49    HB   ILE 758           HB       ILE 758   7.636  -8.506  -4.711
   50   HG12  ILE 758          HG12      ILE 758   8.612  -6.455  -5.556
   51   HG13  ILE 758          HG13      ILE 758   6.888  -6.417  -5.757
   52   HG21  ILE 758          HG21      ILE 758   5.845  -8.612  -3.095
   53   HG22  ILE 758          HG22      ILE 758   5.965  -6.877  -2.745
   54   HG23  ILE 758          HG23      ILE 758   5.362  -7.458  -4.317
   55   HD11  ILE 758          HD11      ILE 758   6.682  -4.888  -3.777
   56   HD12  ILE 758          HD12      ILE 758   8.452  -4.929  -3.592
   57   HD13  ILE 758          HD13      ILE 758   7.717  -4.236  -5.057
   58    H    ARG 759           H        ARG 759   6.959  -8.452  -1.190
   59    HA   ARG 759           HA       ARG 759   8.393 -10.667  -0.031
   60    HB2  ARG 759           HB2      ARG 759   6.376 -10.984   1.296
   61    HB3  ARG 759           HB3      ARG 759   7.031  -9.342   1.376
   62    HG2  ARG 759           HG2      ARG 759   5.256  -8.500  -0.101
   63    HG3  ARG 759           HG3      ARG 759   4.679 -10.154  -0.378
   64    HD2  ARG 759           HD2      ARG 759   3.959 -10.437   1.816
   65    HD3  ARG 759           HD3      ARG 759   4.704  -8.910   2.353
   66    HE   ARG 759           HE       ARG 759   2.894  -8.246   0.316
   67   HH11  ARG 759          HH11      ARG 759   2.666  -9.636   3.566
   68   HH12  ARG 759          HH12      ARG 759   0.992  -9.187   3.745
   69   HH21  ARG 759          HH21      ARG 759   0.780  -7.565   0.679
   70   HH22  ARG 759          HH22      ARG 759  -0.030  -7.973   2.168
   71    H    GLU 760           H        GLU 760   8.509 -11.474  -2.403
   72    HA   GLU 760           HA       GLU 760   7.236 -14.054  -2.620
   73    HB2  GLU 760           HB2      GLU 760   6.161 -13.680  -4.815
   74    HB3  GLU 760           HB3      GLU 760   5.336 -12.959  -3.452
   75    HG2  GLU 760           HG2      GLU 760   6.243 -10.729  -4.048
   76    HG3  GLU 760           HG3      GLU 760   7.116 -11.454  -5.410
   77    H    GLN 761           H        GLN 761   7.979 -15.190  -4.674
   78    HA   GLN 761           HA       GLN 761  10.522 -14.196  -5.773
   79    HB2  GLN 761           HB2      GLN 761  11.849 -16.006  -4.862
   80    HB3  GLN 761           HB3      GLN 761  11.135 -15.077  -3.545
   81    HG2  GLN 761           HG2      GLN 761   9.330 -16.852  -3.377
   82    HG3  GLN 761           HG3      GLN 761  10.230 -17.804  -4.564
   83   HE21  GLN 761          HE21      GLN 761  10.706 -16.135  -1.382
   84   HE22  GLN 761          HE22      GLN 761  11.786 -17.376  -0.760
   85    H    SER 762           H        SER 762  11.169 -15.201  -7.647
   86    HA   SER 762           HA       SER 762   9.195 -16.771  -9.052
   87    HB2  SER 762           HB2      SER 762  10.969 -16.837 -10.832
   88    HB3  SER 762           HB3      SER 762  10.438 -15.229 -10.337
   89    HG   SER 762           HG       SER 762  12.859 -16.547  -9.553
   90    H    CYS 763           H        CYS 763   9.241 -18.898  -9.664
   91    HA   CYS 763           HA       CYS 763  11.315 -20.741  -8.641
   92    HB2  CYS 763           HB2      CYS 763   9.804 -20.195  -6.716
   93    HB3  CYS 763           HB3      CYS 763   8.428 -20.811  -7.651
   94    HG   CYS 763           HG       CYS 763   9.252 -23.287  -7.854
   95    H    ARG 764           H        ARG 764  11.052 -22.882  -9.362
   96    HA   ARG 764           HA       ARG 764   9.702 -23.197 -11.950
   97    HB2  ARG 764           HB2      ARG 764  11.902 -24.151 -11.663
   98    HB3  ARG 764           HB3      ARG 764  11.360 -25.129 -10.300
   99    HG2  ARG 764           HG2      ARG 764  10.449 -26.713 -11.601
  100    HG3  ARG 764           HG3      ARG 764   9.754 -25.597 -12.763
  101    HD2  ARG 764           HD2      ARG 764  12.704 -26.318 -12.702
  102    HD3  ARG 764           HD3      ARG 764  11.477 -27.139 -13.681
  103    HE   ARG 764           HE       ARG 764  11.371 -24.305 -14.148
  104   HH11  ARG 764          HH11      ARG 764  13.330 -27.134 -15.012
  105   HH12  ARG 764          HH12      ARG 764  13.881 -26.398 -16.496
  106   HH21  ARG 764          HH21      ARG 764  12.145 -23.415 -16.021
  107   HH22  ARG 764          HH22      ARG 764  13.185 -24.340 -17.077
  108    H    VAL 765           H        VAL 765   7.962 -24.424 -12.372
  109    HA   VAL 765           HA       VAL 765   6.265 -25.548 -10.199
  110    HB   VAL 765           HB       VAL 765   4.272 -24.394 -11.254
  111   HG11  VAL 765          HG11      VAL 765   6.314 -22.565  -9.936
  112   HG12  VAL 765          HG12      VAL 765   4.569 -22.268 -10.096
  113   HG13  VAL 765          HG13      VAL 765   5.147 -23.622  -9.108
  114   HG21  VAL 765          HG21      VAL 765   5.425 -23.711 -13.399
  115   HG22  VAL 765          HG22      VAL 765   4.575 -22.393 -12.569
  116   HG23  VAL 765          HG23      VAL 765   6.341 -22.519 -12.462
  117    H    VAL 766           H        VAL 766   4.443 -26.756 -11.003
  118    HA   VAL 766           HA       VAL 766   4.803 -28.019 -13.690
  119    HB   VAL 766           HB       VAL 766   5.891 -29.426 -12.002
  120   HG11  VAL 766          HG11      VAL 766   4.619 -30.601 -10.287
  121   HG12  VAL 766          HG12      VAL 766   4.657 -28.871  -9.960
  122   HG13  VAL 766          HG13      VAL 766   3.190 -29.640 -10.608
  123   HG21  VAL 766          HG21      VAL 766   3.317 -30.736 -12.951
  124   HG22  VAL 766          HG22      VAL 766   4.789 -30.497 -13.934
  125   HG23  VAL 766          HG23      VAL 766   4.823 -31.536 -12.498
  126    H    THR 767           H        THR 767   2.947 -28.518 -14.743
  127    HA   THR 767           HA       THR 767   0.316 -28.250 -13.320
  128    HB   THR 767           HB       THR 767   0.908 -27.975 -16.295
  129    HG1  THR 767           HG1      THR 767   0.033 -26.030 -14.415
  130   HG21  THR 767          HG21      THR 767  -1.359 -28.860 -15.903
  131   HG22  THR 767          HG22      THR 767  -1.459 -27.165 -16.393
  132   HG23  THR 767          HG23      THR 767  -1.673 -27.611 -14.687
  133    H    CYS 768           H        CYS 768  -0.520 -30.166 -12.862
  134    HA   CYS 768           HA       CYS 768   0.154 -32.642 -14.324
  135    HB2  CYS 768           HB2      CYS 768  -0.287 -32.645 -11.857
  136    HB3  CYS 768           HB3      CYS 768  -1.944 -32.118 -12.180
  137    H    LYS 769           H        LYS 769  -0.844 -33.265 -16.142
  138    HA   LYS 769           HA       LYS 769  -3.121 -31.690 -17.191
  139    HB2  LYS 769           HB2      LYS 769  -1.528 -34.017 -18.375
  140    HB3  LYS 769           HB3      LYS 769  -2.723 -33.061 -19.246
  141    HG2  LYS 769           HG2      LYS 769  -0.062 -32.042 -18.149
  142    HG3  LYS 769           HG3      LYS 769  -0.463 -32.379 -19.840
  143    HD2  LYS 769           HD2      LYS 769  -2.221 -30.596 -19.758
  144    HD3  LYS 769           HD3      LYS 769  -1.695 -30.189 -18.109
  145    HE2  LYS 769           HE2      LYS 769   0.568 -29.673 -18.916
  146    HE3  LYS 769           HE3      LYS 769   0.125 -30.189 -20.552
  147    HZ1  LYS 769           HZ1      LYS 769  -1.482 -28.382 -20.629
  148    HZ2  LYS 769           HZ2      LYS 769   0.009 -27.783 -20.335
  149    HZ3  LYS 769           HZ3      LYS 769  -1.080 -27.886 -19.127
  150    H    THR 770           H        THR 770  -2.715 -34.659 -15.449
  151    HA   THR 770           HA       THR 770  -5.238 -35.871 -16.336
  152    HB   THR 770           HB       THR 770  -3.427 -36.611 -14.010
  153    HG1  THR 770           HG1      THR 770  -2.922 -38.270 -15.682
  154   HG21  THR 770          HG21      THR 770  -5.624 -38.146 -15.480
  155   HG22  THR 770          HG22      THR 770  -5.673 -37.617 -13.780
  156   HG23  THR 770          HG23      THR 770  -4.515 -38.852 -14.288
  157    H    CYS 771           H        CYS 771  -4.140 -34.038 -13.428
  158    HA   CYS 771           HA       CYS 771  -6.919 -34.009 -12.374
  159    HB2  CYS 771           HB2      CYS 771  -4.304 -33.083 -11.153
  160    HB3  CYS 771           HB3      CYS 771  -5.857 -33.210 -10.321
  161    H    LYS 772           H        LYS 772  -4.738 -31.904 -14.018
  162    HA   LYS 772           HA       LYS 772  -4.936 -29.876 -14.917
  163    HB2  LYS 772           HB2      LYS 772  -7.835 -29.899 -13.988
  164    HB3  LYS 772           HB3      LYS 772  -7.109 -28.721 -15.050
  165    HG2  LYS 772           HG2      LYS 772  -8.257 -30.133 -16.464
  166    HG3  LYS 772           HG3      LYS 772  -6.546 -30.540 -16.684
  167    HD2  LYS 772           HD2      LYS 772  -6.812 -32.610 -15.508
  168    HD3  LYS 772           HD3      LYS 772  -8.395 -32.144 -14.871
  169    HE2  LYS 772           HE2      LYS 772  -8.674 -33.770 -16.644
  170    HE3  LYS 772           HE3      LYS 772  -9.344 -32.219 -17.155
  171    HZ1  LYS 772           HZ1      LYS 772  -6.657 -33.206 -17.940
  172    HZ2  LYS 772           HZ2      LYS 772  -7.386 -31.845 -18.492
  173    HZ3  LYS 772           HZ3      LYS 772  -8.002 -33.311 -18.880
  174    H    TYR 773           H        TYR 773  -4.036 -30.183 -12.098
  175    HA   TYR 773           HA       TYR 773  -4.480 -27.395 -11.092
  176    HB2  TYR 773           HB2      TYR 773  -3.824 -28.026  -8.957
  177    HB3  TYR 773           HB3      TYR 773  -4.943 -29.257  -9.488
  178    HD1  TYR 773           HD1      TYR 773  -1.321 -28.508  -8.869
  179    HD2  TYR 773           HD2      TYR 773  -4.291 -31.558  -9.510
  180    HE1  TYR 773           HE1      TYR 773   0.360 -30.253  -8.276
  181    HE2  TYR 773           HE2      TYR 773  -2.647 -33.290  -8.842
  182    HH   TYR 773           HH       TYR 773  -0.454 -33.757  -8.317
  183    H    THR 774           H        THR 774  -2.712 -26.134 -10.402
  184    HA   THR 774           HA       THR 774  -0.019 -26.852 -11.487
  185    HB   THR 774           HB       THR 774  -1.214 -24.055 -11.306
  186    HG1  THR 774           HG1      THR 774  -1.272 -24.234 -13.541
  187   HG21  THR 774          HG21      THR 774   0.777 -23.428 -12.655
  188   HG22  THR 774          HG22      THR 774   1.427 -25.072 -12.483
  189   HG23  THR 774          HG23      THR 774   1.241 -24.026 -11.059
  190    H    HIS 775           H        HIS 775   1.612 -26.801 -10.084
  191    HA   HIS 775           HA       HIS 775   1.655 -25.199  -7.668
  192    HB2  HIS 775           HB2      HIS 775   0.749 -27.983  -7.506
  193    HB3  HIS 775           HB3      HIS 775   2.158 -27.704  -6.510
  194    HD1  HIS 775           HD1      HIS 775   1.868 -25.568  -4.645
  195    HD2  HIS 775           HD2      HIS 775  -1.535 -27.091  -6.579
  196    HE1  HIS 775           HE1      HIS 775  -0.119 -24.767  -3.296
  197    H    PHE 776           H        PHE 776   3.757 -26.046  -6.316
  198    HA   PHE 776           HA       PHE 776   5.962 -25.418  -8.008
  199    HB2  PHE 776           HB2      PHE 776   6.354 -26.658  -5.303
  200    HB3  PHE 776           HB3      PHE 776   7.195 -25.312  -6.052
  201    HD1  PHE 776           HD1      PHE 776   5.712 -23.096  -6.420
  202    HD2  PHE 776           HD2      PHE 776   4.712 -26.282  -3.672
  203    HE1  PHE 776           HE1      PHE 776   4.148 -21.596  -5.230
  204    HE2  PHE 776           HE2      PHE 776   3.160 -24.755  -2.486
  205    HZ   PHE 776           HZ       PHE 776   2.864 -22.434  -3.278
  206    H    LYS 777           H        LYS 777   4.741 -28.498  -6.846
  207    HA   LYS 777           HA       LYS 777   6.431 -30.065  -8.626
  208    HB2  LYS 777           HB2      LYS 777   7.537 -31.363  -6.884
  209    HB3  LYS 777           HB3      LYS 777   7.950 -29.659  -6.733
  210    HG2  LYS 777           HG2      LYS 777   6.250 -29.437  -4.882
  211    HG3  LYS 777           HG3      LYS 777   5.922 -31.180  -5.012
  212    HD2  LYS 777           HD2      LYS 777   8.300 -31.656  -4.551
  213    HD3  LYS 777           HD3      LYS 777   8.614 -29.913  -4.403
  214    HE2  LYS 777           HE2      LYS 777   7.003 -29.777  -2.522
  215    HE3  LYS 777           HE3      LYS 777   6.680 -31.510  -2.664
  216    HZ1  LYS 777           HZ1      LYS 777   9.319 -30.333  -2.005
  217    HZ2  LYS 777           HZ2      LYS 777   9.013 -31.928  -2.098
  218    HZ3  LYS 777           HZ3      LYS 777   8.313 -31.028  -0.925
  219    HA   PRO 778           HA       PRO 778   2.816 -32.575  -8.444
  220    HB2  PRO 778           HB2      PRO 778   3.606 -35.005  -9.378
  221    HB3  PRO 778           HB3      PRO 778   3.629 -33.522 -10.385
  222    HG2  PRO 778           HG2      PRO 778   5.944 -34.821  -8.915
  223    HG3  PRO 778           HG3      PRO 778   5.909 -34.192 -10.583
  224    HD2  PRO 778           HD2      PRO 778   6.885 -32.795  -8.417
  225    HD3  PRO 778           HD3      PRO 778   6.181 -32.012  -9.853
  226    H    LYS 779           H        LYS 779   1.643 -34.077  -7.212
  227    HA   LYS 779           HA       LYS 779   2.650 -34.676  -4.569
  228    HB2  LYS 779           HB2      LYS 779   0.141 -35.524  -6.078
  229    HB3  LYS 779           HB3      LYS 779   0.450 -35.944  -4.396
  230    HG2  LYS 779           HG2      LYS 779   0.631 -33.551  -3.792
  231    HG3  LYS 779           HG3      LYS 779   0.271 -33.091  -5.454
  232    HD2  LYS 779           HD2      LYS 779  -1.587 -34.678  -3.621
  233    HD3  LYS 779           HD3      LYS 779  -1.703 -32.939  -3.950
  234    HE2  LYS 779           HE2      LYS 779  -2.079 -33.393  -6.355
  235    HE3  LYS 779           HE3      LYS 779  -1.924 -35.133  -6.064
  236    HZ1  LYS 779           HZ1      LYS 779  -3.885 -34.984  -4.625
  237    HZ2  LYS 779           HZ2      LYS 779  -4.236 -34.471  -6.137
  238    HZ3  LYS 779           HZ3      LYS 779  -4.036 -33.380  -4.938
  239    H    GLU 780           H        GLU 780   2.832 -36.729  -3.547
  240    HA   GLU 780           HA       GLU 780   4.387 -38.642  -4.977
  241    HB2  GLU 780           HB2      GLU 780   4.307 -40.017  -2.998
  242    HB3  GLU 780           HB3      GLU 780   4.573 -38.333  -2.571
  243    HG2  GLU 780           HG2      GLU 780   2.152 -38.130  -1.948
  244    HG3  GLU 780           HG3      GLU 780   1.942 -39.847  -2.316
  245    H    THR 781           H        THR 781   0.891 -38.505  -4.445
  246    HA   THR 781           HA       THR 781   0.226 -41.098  -5.515
  247    HB   THR 781           HB       THR 781  -2.034 -39.938  -5.889
  248    HG1  THR 781           HG1      THR 781  -2.230 -37.928  -4.872
  249   HG21  THR 781          HG21      THR 781  -2.549 -39.911  -3.485
  250   HG22  THR 781          HG22      THR 781  -0.812 -39.830  -3.094
  251   HG23  THR 781          HG23      THR 781  -1.491 -41.275  -3.876
  252    H    CYS 782           H        CYS 782   0.480 -37.825  -7.000
  253    HA   CYS 782           HA       CYS 782  -0.230 -38.638  -9.639
  254    HB2  CYS 782           HB2      CYS 782   1.436 -36.296  -8.600
  255    HB3  CYS 782           HB3      CYS 782   0.932 -36.489 -10.275
  256    H    VAL 783           H        VAL 783   2.960 -38.378  -8.061
  257    HA   VAL 783           HA       VAL 783   4.468 -39.279 -10.348
  258    HB   VAL 783           HB       VAL 783   5.175 -39.308  -7.394
  259   HG11  VAL 783          HG11      VAL 783   7.545 -39.473  -8.182
  260   HG12  VAL 783          HG12      VAL 783   6.634 -40.947  -8.533
  261   HG13  VAL 783          HG13      VAL 783   6.960 -39.780  -9.831
  262   HG21  VAL 783          HG21      VAL 783   5.994 -37.435  -9.663
  263   HG22  VAL 783          HG22      VAL 783   4.834 -37.042  -8.385
  264   HG23  VAL 783          HG23      VAL 783   6.525 -37.322  -7.976
  265    H    SER 784           H        SER 784   3.127 -41.125  -7.520
  266    HA   SER 784           HA       SER 784   4.260 -43.629  -8.358
  267    HB2  SER 784           HB2      SER 784   3.569 -43.035  -6.050
  268    HB3  SER 784           HB3      SER 784   1.870 -43.095  -6.559
  269    HG   SER 784           HG       SER 784   2.597 -45.083  -5.590
  270    H    GLU 785           H        GLU 785   1.007 -42.213  -8.935
  271    HA   GLU 785           HA       GLU 785   0.104 -44.531 -10.485
  272    HB2  GLU 785           HB2      GLU 785  -1.097 -41.768 -10.060
  273    HB3  GLU 785           HB3      GLU 785  -1.889 -43.067 -10.939
  274    HG2  GLU 785           HG2      GLU 785  -1.113 -43.203  -7.991
  275    HG3  GLU 785           HG3      GLU 785  -2.713 -42.838  -8.616
  276    H    ASN 786           H        ASN 786   2.274 -42.126 -11.215
  277    HA   ASN 786           HA       ASN 786   3.259 -41.376 -13.078
  278    HB2  ASN 786           HB2      ASN 786   1.962 -43.723 -14.508
  279    HB3  ASN 786           HB3      ASN 786   3.411 -42.842 -14.987
  280   HD21  ASN 786          HD21      ASN 786   5.108 -42.726 -12.947
  281   HD22  ASN 786          HD22      ASN 786   5.422 -44.322 -12.290
  282    H    HIS 787           H        HIS 787   1.107 -39.864 -12.518
  283    HA   HIS 787           HA       HIS 787  -0.644 -39.321 -14.754
  284    HB2  HIS 787           HB2      HIS 787   0.328 -37.603 -12.441
  285    HB3  HIS 787           HB3      HIS 787  -0.802 -37.033 -13.653
  286    HD2  HIS 787           HD2      HIS 787  -1.644 -40.593 -12.919
  287    HE1  HIS 787           HE1      HIS 787  -4.203 -38.362 -10.339
  288    HE2  HIS 787           HE2      HIS 787  -3.725 -40.670 -11.348
  289    H    ASP 788           H        ASP 788  -0.557 -37.539 -16.212
  290    HA   ASP 788           HA       ASP 788   2.136 -37.080 -17.349
  291    HB2  ASP 788           HB2      ASP 788   0.173 -37.733 -18.767
  292    HB3  ASP 788           HB3      ASP 788  -0.623 -36.232 -18.324
  293    H    PHE 789           H        PHE 789   3.178 -35.073 -17.318
  294    HA   PHE 789           HA       PHE 789   1.708 -32.696 -16.458
  295    HB2  PHE 789           HB2      PHE 789   4.005 -32.445 -14.908
  296    HB3  PHE 789           HB3      PHE 789   2.367 -32.644 -14.348
  297    HD1  PHE 789           HD1      PHE 789   5.563 -34.424 -15.052
  298    HD2  PHE 789           HD2      PHE 789   1.691 -34.602 -13.169
  299    HE1  PHE 789           HE1      PHE 789   6.296 -36.394 -13.714
  300    HE2  PHE 789           HE2      PHE 789   2.445 -36.554 -11.820
  301    HZ   PHE 789           HZ       PHE 789   4.742 -37.447 -12.090
  302    H    HIS 790           H        HIS 790   2.695 -30.740 -16.778
  303    HA   HIS 790           HA       HIS 790   5.190 -30.696 -18.467
  304    HB2  HIS 790           HB2      HIS 790   2.675 -29.009 -18.709
  305    HB3  HIS 790           HB3      HIS 790   4.226 -28.503 -19.338
  306    HD1  HIS 790           HD1      HIS 790   4.285 -28.905 -21.860
  307    HD2  HIS 790           HD2      HIS 790   2.297 -31.918 -19.718
  308    HE1  HIS 790           HE1      HIS 790   3.527 -30.617 -23.583
  309    H    TRP 791           H        TRP 791   6.777 -29.387 -17.778
  310    HA   TRP 791           HA       TRP 791   6.374 -27.848 -15.253
  311    HB2  TRP 791           HB2      TRP 791   8.841 -29.052 -16.556
  312    HB3  TRP 791           HB3      TRP 791   8.892 -27.979 -15.167
  313    HD1  TRP 791           HD1      TRP 791   7.576 -31.475 -16.133
  314    HE1  TRP 791           HE1      TRP 791   7.565 -32.969 -14.045
  315    HE3  TRP 791           HE3      TRP 791   8.779 -27.960 -12.626
  316    HZ2  TRP 791           HZ2      TRP 791   8.141 -32.696 -11.230
  317    HZ3  TRP 791           HZ3      TRP 791   9.044 -28.591 -10.239
  318    HH2  TRP 791           HH2      TRP 791   8.741 -30.961  -9.532
  319    H    HIS 792           H        HIS 792   7.217 -25.791 -14.983
  320    HA   HIS 792           HA       HIS 792   8.589 -24.248 -16.992
  321    HB2  HIS 792           HB2      HIS 792   6.881 -22.693 -17.605
  322    HB3  HIS 792           HB3      HIS 792   6.292 -24.282 -18.002
  323    HD1  HIS 792           HD1      HIS 792   5.236 -21.238 -16.125
  324    HD2  HIS 792           HD2      HIS 792   4.448 -25.381 -16.114
  325    HE1  HIS 792           HE1      HIS 792   3.001 -21.538 -14.957
  326    H    ASN 793           H        ASN 793   7.965 -21.662 -16.129
  327    HA   ASN 793           HA       ASN 793   8.585 -21.715 -13.201
  328    HB2  ASN 793           HB2      ASN 793   9.664 -19.951 -15.421
  329    HB3  ASN 793           HB3      ASN 793   9.767 -19.510 -13.723
  330   HD21  ASN 793          HD21      ASN 793  11.385 -20.405 -12.446
  331   HD22  ASN 793          HD22      ASN 793  12.476 -21.664 -13.020
  332    H    GLY 794           H        GLY 794   7.781 -20.133 -11.891
  333    HA2  GLY 794           HA2      GLY 794   5.765 -18.163 -12.782
  334    HA3  GLY 794           HA3      GLY 794   5.221 -19.447 -11.713
  335    H    VAL 795           H        VAL 795   4.748 -17.880 -10.076
  336    HA   VAL 795           HA       VAL 795   7.014 -17.253  -8.325
  337    HB   VAL 795           HB       VAL 795   7.073 -15.212  -9.519
  338   HG11  VAL 795          HG11      VAL 795   5.112 -13.718  -9.828
  339   HG12  VAL 795          HG12      VAL 795   4.942 -15.239 -10.712
  340   HG13  VAL 795          HG13      VAL 795   4.055 -15.000  -9.191
  341   HG21  VAL 795          HG21      VAL 795   7.085 -14.980  -7.010
  342   HG22  VAL 795          HG22      VAL 795   6.567 -13.521  -7.872
  343   HG23  VAL 795          HG23      VAL 795   5.370 -14.557  -7.072
  344    H    LYS 796           H        LYS 796   6.538 -17.301  -6.231
  345    HA   LYS 796           HA       LYS 796   3.797 -18.226  -5.530
  346    HB2  LYS 796           HB2      LYS 796   4.842 -19.659  -3.930
  347    HB3  LYS 796           HB3      LYS 796   5.676 -19.821  -5.482
  348    HG2  LYS 796           HG2      LYS 796   7.278 -17.948  -4.375
  349    HG3  LYS 796           HG3      LYS 796   6.645 -18.644  -2.882
  350    HD2  LYS 796           HD2      LYS 796   8.034 -20.132  -5.137
  351    HD3  LYS 796           HD3      LYS 796   8.774 -19.660  -3.599
  352    HE2  LYS 796           HE2      LYS 796   7.177 -21.100  -2.359
  353    HE3  LYS 796           HE3      LYS 796   6.402 -21.565  -3.881
  354    HZ1  LYS 796           HZ1      LYS 796   9.213 -22.163  -3.154
  355    HZ2  LYS 796           HZ2      LYS 796   8.512 -22.558  -4.582
  356    HZ3  LYS 796           HZ3      LYS 796   7.988 -23.248  -3.194
  357    H    ARG 797           H        ARG 797   2.744 -17.709  -3.725
  358    HA   ARG 797           HA       ARG 797   3.472 -15.210  -2.259
  359    HB2  ARG 797           HB2      ARG 797   0.632 -16.072  -2.515
  360    HB3  ARG 797           HB3      ARG 797   1.307 -14.460  -2.473
  361    HG2  ARG 797           HG2      ARG 797   1.116 -16.343  -4.848
  362    HG3  ARG 797           HG3      ARG 797   0.120 -14.941  -4.524
  363    HD2  ARG 797           HD2      ARG 797   1.892 -13.415  -4.954
  364    HD3  ARG 797           HD3      ARG 797   3.095 -14.713  -5.070
  365    HE   ARG 797           HE       ARG 797   1.301 -15.529  -6.913
  366   HH11  ARG 797          HH11      ARG 797   2.854 -12.337  -6.597
  367   HH12  ARG 797          HH12      ARG 797   2.542 -11.958  -8.262
  368   HH21  ARG 797          HH21      ARG 797   0.948 -14.982  -8.974
  369   HH22  ARG 797          HH22      ARG 797   1.484 -13.453  -9.614
  370    H    PHE 798           H        PHE 798   2.988 -15.182  -0.023
  371    HA   PHE 798           HA       PHE 798   2.709 -17.869   1.237
  372    HB2  PHE 798           HB2      PHE 798   3.987 -15.391   2.428
  373    HB3  PHE 798           HB3      PHE 798   4.148 -17.061   2.947
  374    HD1  PHE 798           HD1      PHE 798   5.262 -18.730   1.262
  375    HD2  PHE 798           HD2      PHE 798   5.546 -14.443   0.916
  376    HE1  PHE 798           HE1      PHE 798   7.206 -18.992  -0.255
  377    HE2  PHE 798           HE2      PHE 798   7.522 -14.706  -0.565
  378    HZ   PHE 798           HZ       PHE 798   8.331 -16.979  -1.185
  379    H    PHE 799           H        PHE 799   1.296 -18.290   2.862
  380    HA   PHE 799           HA       PHE 799  -0.544 -16.110   3.720
  381    HB2  PHE 799           HB2      PHE 799  -1.336 -18.893   2.830
  382    HB3  PHE 799           HB3      PHE 799  -2.423 -17.625   3.407
  383    HD1  PHE 799           HD1      PHE 799  -2.782 -15.568   2.067
  384    HD2  PHE 799           HD2      PHE 799  -0.498 -18.886   0.543
  385    HE1  PHE 799           HE1      PHE 799  -2.902 -14.601  -0.214
  386    HE2  PHE 799           HE2      PHE 799  -0.631 -17.928  -1.745
  387    HZ   PHE 799           HZ       PHE 799  -1.807 -15.773  -2.122
  388    H    LYS 800           H        LYS 800  -1.527 -16.241   5.659
  389    HA   LYS 800           HA       LYS 800  -0.796 -18.445   7.553
  390    HB2  LYS 800           HB2      LYS 800   0.549 -16.432   7.982
  391    HB3  LYS 800           HB3      LYS 800  -0.923 -15.449   8.022
  392    HG2  LYS 800           HG2      LYS 800  -1.678 -16.631  10.053
  393    HG3  LYS 800           HG3      LYS 800  -0.249 -17.672  10.009
  394    HD2  LYS 800           HD2      LYS 800   1.188 -15.640  10.263
  395    HD3  LYS 800           HD3      LYS 800  -0.268 -14.628  10.300
  396    HE2  LYS 800           HE2      LYS 800  -1.065 -15.902  12.311
  397    HE3  LYS 800           HE3      LYS 800   0.428 -16.836  12.294
  398    HZ1  LYS 800           HZ1      LYS 800   0.530 -14.960  13.848
  399    HZ2  LYS 800           HZ2      LYS 800   0.299 -13.897  12.634
  400    HZ3  LYS 800           HZ3      LYS 800   1.657 -14.804  12.676
  401    H    CYS 801           H        CYS 801  -2.339 -19.175   8.869
  402    HA   CYS 801           HA       CYS 801  -5.166 -18.258   8.623
  403    HB2  CYS 801           HB2      CYS 801  -4.522 -20.656   8.221
  404    HB3  CYS 801           HB3      CYS 801  -3.851 -20.729   9.855
  405    HA   PRO 802           HA       PRO 802  -4.822 -16.246  12.603
  406    HB2  PRO 802           HB2      PRO 802  -7.332 -16.797  13.761
  407    HB3  PRO 802           HB3      PRO 802  -6.932 -15.478  12.621
  408    HG2  PRO 802           HG2      PRO 802  -8.074 -18.203  12.002
  409    HG3  PRO 802           HG3      PRO 802  -8.598 -16.610  11.361
  410    HD2  PRO 802           HD2      PRO 802  -7.038 -18.160   9.868
  411    HD3  PRO 802           HD3      PRO 802  -6.641 -16.437  10.002
  412    H    CYS 803           H        CYS 803  -5.430 -19.755  12.636
  413    HA   CYS 803           HA       CYS 803  -4.884 -20.032  15.482
  414    HB2  CYS 803           HB2      CYS 803  -5.004 -22.365  15.122
  415    HB3  CYS 803           HB3      CYS 803  -6.327 -21.602  14.238
  416    H    GLY 804           H        GLY 804  -2.910 -19.385  12.813
  417    HA2  GLY 804           HA2      GLY 804  -0.578 -18.841  13.099
  418    HA3  GLY 804           HA3      GLY 804  -0.396 -20.222  14.211
  419    H    ASN 805           H        ASN 805  -2.185 -21.702  12.021
  420    HA   ASN 805           HA       ASN 805  -0.050 -23.069  10.746
  421    HB2  ASN 805           HB2      ASN 805  -2.380 -23.915  11.212
  422    HB3  ASN 805           HB3      ASN 805  -2.958 -22.940   9.863
  423   HD21  ASN 805          HD21      ASN 805  -3.728 -24.949   8.896
  424   HD22  ASN 805          HD22      ASN 805  -2.575 -26.065   8.150
  425    H    ARG 806           H        ARG 806   0.450 -23.235   8.452
  426    HA   ARG 806           HA       ARG 806   0.247 -20.643   6.954
  427    HB2  ARG 806           HB2      ARG 806   2.728 -22.385   7.245
  428    HB3  ARG 806           HB3      ARG 806   2.610 -20.853   6.379
  429    HG2  ARG 806           HG2      ARG 806   2.314 -21.192   9.394
  430    HG3  ARG 806           HG3      ARG 806   3.753 -20.627   8.547
  431    HD2  ARG 806           HD2      ARG 806   2.510 -18.651   7.716
  432    HD3  ARG 806           HD3      ARG 806   1.066 -19.222   8.551
  433    HE   ARG 806           HE       ARG 806   2.208 -18.991  10.687
  434   HH11  ARG 806          HH11      ARG 806   3.796 -17.255   8.037
  435   HH12  ARG 806          HH12      ARG 806   4.633 -16.196   9.136
  436   HH21  ARG 806          HH21      ARG 806   3.380 -17.650  12.022
  437   HH22  ARG 806          HH22      ARG 806   4.402 -16.414  11.347
  438    H    THR 807           H        THR 807   0.558 -20.742   4.699
  439    HA   THR 807           HA       THR 807   1.123 -23.206   3.315
  440    HB   THR 807           HB       THR 807  -1.352 -23.419   3.771
  441    HG1  THR 807           HG1      THR 807  -1.601 -24.285   1.719
  442   HG21  THR 807          HG21      THR 807  -2.020 -21.068   3.247
  443   HG22  THR 807          HG22      THR 807  -2.905 -22.268   2.296
  444   HG23  THR 807          HG23      THR 807  -1.596 -21.336   1.545
  445    H    ILE 808           H        ILE 808   0.848 -22.809   0.866
  446    HA   ILE 808           HA       ILE 808   1.806 -20.126   0.058
  447    HB   ILE 808           HB       ILE 808   3.410 -22.614  -0.628
  448   HG12  ILE 808          HG12      ILE 808   3.987 -20.629   1.614
  449   HG13  ILE 808          HG13      ILE 808   3.662 -22.352   1.781
  450   HG21  ILE 808          HG21      ILE 808   5.075 -21.057  -1.458
  451   HG22  ILE 808          HG22      ILE 808   3.544 -20.568  -2.152
  452   HG23  ILE 808          HG23      ILE 808   4.204 -19.668  -0.782
  453   HD11  ILE 808          HD11      ILE 808   5.749 -22.858   0.489
  454   HD12  ILE 808          HD12      ILE 808   6.156 -21.120   0.564
  455   HD13  ILE 808          HD13      ILE 808   5.996 -22.054   2.063
  456    H    SER 809           H        SER 809   1.329 -19.661  -2.113
  457    HA   SER 809           HA       SER 809   0.503 -21.765  -4.004
  458    HB2  SER 809           HB2      SER 809  -1.571 -21.383  -2.606
  459    HB3  SER 809           HB3      SER 809  -1.564 -19.700  -3.157
  460    HG   SER 809           HG       SER 809  -2.912 -21.115  -4.447
  461    H    LEU 810           H        LEU 810  -0.305 -20.719  -6.047
  462    HA   LEU 810           HA       LEU 810   1.743 -18.707  -6.837
  463    HB2  LEU 810           HB2      LEU 810  -0.067 -20.605  -8.413
  464    HB3  LEU 810           HB3      LEU 810   1.088 -19.507  -9.133
  465    HG   LEU 810           HG       LEU 810   2.012 -21.684  -9.147
  466   HD11  LEU 810          HD11      LEU 810   3.433 -20.143  -6.931
  467   HD12  LEU 810          HD12      LEU 810   3.637 -19.894  -8.688
  468   HD13  LEU 810          HD13      LEU 810   4.139 -21.419  -7.929
  469   HD21  LEU 810          HD21      LEU 810   1.837 -22.014  -6.154
  470   HD22  LEU 810          HD22      LEU 810   2.458 -23.143  -7.346
  471   HD23  LEU 810          HD23      LEU 810   0.723 -22.757  -7.329
  472    H    ASP 811           H        ASP 811  -1.700 -18.938  -6.383
  473    HA   ASP 811           HA       ASP 811  -2.242 -16.389  -7.806
  474    HB2  ASP 811           HB2      ASP 811  -3.747 -18.443  -8.000
  475    HB3  ASP 811           HB3      ASP 811  -4.162 -18.181  -6.303
  476    H    ARG 812           H        ARG 812  -3.653 -14.835  -6.633
  477    HA   ARG 812           HA       ARG 812  -2.302 -13.805  -4.332
  478    HB2  ARG 812           HB2      ARG 812  -3.928 -12.002  -4.419
  479    HB3  ARG 812           HB3      ARG 812  -3.340 -12.381  -6.036
  480    HG2  ARG 812           HG2      ARG 812  -5.420 -13.566  -6.563
  481    HG3  ARG 812           HG3      ARG 812  -5.998 -13.370  -4.899
  482    HD2  ARG 812           HD2      ARG 812  -5.978 -10.923  -5.172
  483    HD3  ARG 812           HD3      ARG 812  -5.426 -11.093  -6.845
  484    HE   ARG 812           HE       ARG 812  -7.739 -12.657  -6.620
  485   HH11  ARG 812          HH21      ARG 812  -7.010  -9.194  -6.336
  486   HH12  ARG 812          HH22      ARG 812  -8.621  -8.740  -6.806
  487   HH21  ARG 812          HH11      ARG 812  -9.770 -11.996  -7.209
  488   HH22  ARG 812          HH12      ARG 812 -10.168 -10.303  -7.308
  489    H    LEU 813           H        LEU 813  -4.692 -16.200  -4.421
  490    HA   LEU 813           HA       LEU 813  -4.679 -16.334  -1.522
  491    HB2  LEU 813           HB2      LEU 813  -6.689 -14.825  -2.218
  492    HB3  LEU 813           HB3      LEU 813  -7.377 -16.266  -2.939
  493    HG   LEU 813           HG       LEU 813  -7.245 -17.354  -0.614
  494   HD11  LEU 813          HD11      LEU 813  -7.084 -15.828   1.329
  495   HD12  LEU 813          HD12      LEU 813  -6.738 -14.469   0.250
  496   HD13  LEU 813          HD13      LEU 813  -5.572 -15.788   0.418
  497   HD21  LEU 813          HD21      LEU 813  -9.338 -16.474  -1.556
  498   HD22  LEU 813          HD22      LEU 813  -8.961 -14.852  -0.923
  499   HD23  LEU 813          HD23      LEU 813  -9.268 -16.196   0.193
  500    HA   PRO 814           HA       PRO 814  -4.696 -20.631  -2.947
  501    HB2  PRO 814           HB2      PRO 814  -4.761 -21.983  -0.584
  502    HB3  PRO 814           HB3      PRO 814  -3.325 -21.046  -1.110
  503    HG2  PRO 814           HG2      PRO 814  -5.563 -20.141   0.729
  504    HG3  PRO 814           HG3      PRO 814  -3.797 -20.075   1.044
  505    HD2  PRO 814           HD2      PRO 814  -5.149 -17.930   0.094
  506    HD3  PRO 814           HD3      PRO 814  -3.514 -18.311  -0.519
  507    H    LYS 815           H        LYS 815  -6.134 -22.471  -3.026
  508    HA   LYS 815           HA       LYS 815  -8.981 -21.755  -2.591
  509    HB2  LYS 815           HB2      LYS 815  -9.514 -23.245  -4.286
  510    HB3  LYS 815           HB3      LYS 815  -8.086 -22.398  -4.853
  511    HG2  LYS 815           HG2      LYS 815  -8.214 -25.246  -3.752
  512    HG3  LYS 815           HG3      LYS 815  -8.117 -24.781  -5.448
  513    HD2  LYS 815           HD2      LYS 815  -5.867 -23.759  -5.019
  514    HD3  LYS 815           HD3      LYS 815  -5.940 -24.396  -3.355
  515    HE2  LYS 815           HE2      LYS 815  -6.206 -26.693  -4.246
  516    HE3  LYS 815           HE3      LYS 815  -6.121 -26.066  -5.896
  517    HZ1  LYS 815           HZ1      LYS 815  -3.980 -26.898  -5.165
  518    HZ2  LYS 815           HZ2      LYS 815  -3.934 -25.884  -3.896
  519    HZ3  LYS 815           HZ3      LYS 815  -3.872 -25.294  -5.417
  520    H    LYS 816           H        LYS 816  -6.679 -23.712  -1.049
  521    HA   LYS 816           HA       LYS 816  -8.580 -25.806  -0.195
  522    HB2  LYS 816           HB2      LYS 816  -6.609 -26.994   0.577
  523    HB3  LYS 816           HB3      LYS 816  -6.464 -26.480  -1.076
  524    HG2  LYS 816           HG2      LYS 816  -4.354 -25.984  -0.390
  525    HG3  LYS 816           HG3      LYS 816  -5.105 -24.427  -0.111
  526    HD2  LYS 816           HD2      LYS 816  -3.734 -24.915   1.788
  527    HD3  LYS 816           HD3      LYS 816  -5.405 -25.097   2.322
  528    HE2  LYS 816           HE2      LYS 816  -5.128 -27.615   1.817
  529    HE3  LYS 816           HE3      LYS 816  -3.413 -27.296   1.569
  530    HZ1  LYS 816           HZ1      LYS 816  -3.899 -28.009   3.843
  531    HZ2  LYS 816           HZ2      LYS 816  -4.948 -26.775   4.054
  532    HZ3  LYS 816           HZ3      LYS 816  -3.339 -26.476   3.880
  533    H    HIS 817           H        HIS 817  -8.892 -26.453   2.002
  534    HA   HIS 817           HA       HIS 817  -9.128 -24.198   3.911
  535    HB2  HIS 817           HB2      HIS 817 -10.039 -27.094   3.880
  536    HB3  HIS 817           HB3      HIS 817 -10.100 -26.130   5.339
  537    HD1  HIS 817           HD1      HIS 817 -12.628 -25.818   5.619
  538    HD2  HIS 817           HD2      HIS 817 -11.188 -24.822   1.794
  539    HE1  HIS 817           HE1      HIS 817 -14.586 -24.757   4.366
  540    H    CYS 818           H        CYS 818  -8.481 -24.479   6.185
  541    HA   CYS 818           HA       CYS 818  -5.709 -24.919   6.529
  542    HB2  CYS 818           HB2      CYS 818  -7.092 -23.377   7.812
  543    HB3  CYS 818           HB3      CYS 818  -8.006 -24.715   8.514
  544    H    SER 819           H        SER 819  -4.520 -26.585   7.208
  545    HA   SER 819           HA       SER 819  -5.639 -29.302   7.438
  546    HB2  SER 819           HB2      SER 819  -3.162 -29.861   7.653
  547    HB3  SER 819           HB3      SER 819  -3.664 -29.131   6.123
  548    HG   SER 819           HG       SER 819  -1.746 -28.197   6.974
  549    H    THR 820           H        THR 820  -5.126 -26.772   9.647
  550    HA   THR 820           HA       THR 820  -4.507 -28.611  11.931
  551    HB   THR 820           HB       THR 820  -4.157 -25.606  11.639
  552    HG1  THR 820           HG1      THR 820  -2.660 -26.987  10.562
  553   HG21  THR 820          HG21      THR 820  -2.899 -25.775  13.781
  554   HG22  THR 820          HG22      THR 820  -3.463 -27.452  13.970
  555   HG23  THR 820          HG23      THR 820  -4.625 -26.103  14.003
  556    H    CYS 821           H        CYS 821  -6.835 -26.048  10.947
  557    HA   CYS 821           HA       CYS 821  -8.635 -27.039  13.119
  558    HB2  CYS 821           HB2      CYS 821  -9.329 -24.879  13.647
  559    HB3  CYS 821           HB3      CYS 821  -7.567 -24.921  13.747
  560    H    GLY 822           H        GLY 822  -8.468 -26.404   9.765
  561    HA2  GLY 822           HA2      GLY 822  -9.863 -27.574   8.292
  562    HA3  GLY 822           HA3      GLY 822 -11.102 -27.702   9.547
  563    H    LEU 823           H        LEU 823 -10.547 -24.492   9.560
  564    HA   LEU 823           HA       LEU 823 -12.776 -23.943   7.692
  565    HB2  LEU 823           HB2      LEU 823 -12.840 -21.738   8.774
  566    HB3  LEU 823           HB3      LEU 823 -13.059 -23.103   9.852
  567    HG   LEU 823           HG       LEU 823 -10.883 -22.865  10.825
  568   HD11  LEU 823          HD11      LEU 823  -9.445 -22.137   9.025
  569   HD12  LEU 823          HD12      LEU 823  -9.428 -20.859  10.243
  570   HD13  LEU 823          HD13      LEU 823 -10.397 -20.658   8.781
  571   HD21  LEU 823          HD21      LEU 823 -12.721 -21.500  11.706
  572   HD22  LEU 823          HD22      LEU 823 -12.294 -20.178  10.599
  573   HD23  LEU 823          HD23      LEU 823 -11.178 -20.655  11.894
  574    H    PHE 824           H        PHE 824 -12.456 -21.478   6.810
  575    HA   PHE 824           HA       PHE 824  -9.915 -21.351   5.241
  576    HB2  PHE 824           HB2      PHE 824 -11.792 -22.285   3.922
  577    HB3  PHE 824           HB3      PHE 824 -12.745 -20.850   4.223
  578    HD1  PHE 824           HD2      PHE 824  -9.856 -22.263   2.428
  579    HD2  PHE 824           HD1      PHE 824 -12.220 -18.711   3.063
  580    HE1  PHE 824           HE2      PHE 824  -8.837 -21.221   0.422
  581    HE2  PHE 824           HE1      PHE 824 -11.196 -17.668   1.058
  582    HZ   PHE 824           HZ       PHE 824  -9.504 -18.921  -0.268
  583    H    LYS 825           H        LYS 825  -8.949 -19.734   6.360
  584    HA   LYS 825           HA       LYS 825 -10.150 -17.013   6.379
  585    HB2  LYS 825           HB2      LYS 825  -9.176 -18.552   8.826
  586    HB3  LYS 825           HB3      LYS 825  -9.345 -16.813   8.827
  587    HG2  LYS 825           HG2      LYS 825 -11.631 -18.769   8.439
  588    HG3  LYS 825           HG3      LYS 825 -11.236 -17.901   9.909
  589    HD2  LYS 825           HD2      LYS 825 -12.154 -16.620   7.304
  590    HD3  LYS 825           HD3      LYS 825 -13.133 -16.893   8.748
  591    HE2  LYS 825           HE2      LYS 825 -11.609 -15.415  10.054
  592    HE3  LYS 825           HE3      LYS 825 -10.647 -15.107   8.594
  593    HZ1  LYS 825           HZ1      LYS 825 -12.265 -13.349   8.979
  594    HZ2  LYS 825           HZ2      LYS 825 -13.506 -14.394   8.965
  595    HZ3  LYS 825           HZ3      LYS 825 -12.654 -14.129   7.596
  596    H    TRP 826           H        TRP 826  -8.014 -18.243   4.794
  597    HA   TRP 826           HA       TRP 826  -5.430 -17.578   5.717
  598    HB2  TRP 826           HB2      TRP 826  -6.517 -17.765   2.884
  599    HB3  TRP 826           HB3      TRP 826  -4.806 -17.705   3.308
  600    HD1  TRP 826           HD1      TRP 826  -7.448 -20.073   2.574
  601    HE1  TRP 826           HE1      TRP 826  -6.741 -22.473   3.112
  602    HE3  TRP 826           HE3      TRP 826  -3.386 -19.067   5.507
  603    HZ2  TRP 826           HZ2      TRP 826  -4.756 -23.791   4.752
  604    HZ3  TRP 826           HZ3      TRP 826  -2.124 -20.911   6.586
  605    HH2  TRP 826           HH2      TRP 826  -2.802 -23.277   6.240
  606    H    GLU 827           H        GLU 827  -4.141 -15.851   5.620
  607    HA   GLU 827           HA       GLU 827  -5.010 -13.334   4.279
  608    HB2  GLU 827           HB2      GLU 827  -5.321 -13.280   6.754
  609    HB3  GLU 827           HB3      GLU 827  -3.618 -13.685   6.976
  610    HG2  GLU 827           HG2      GLU 827  -3.911 -11.308   7.308
  611    HG3  GLU 827           HG3      GLU 827  -2.966 -11.559   5.850
  612    H    ARG 828           H        ARG 828  -3.430 -12.311   3.115
  613    HA   ARG 828           HA       ARG 828  -1.031 -13.673   2.340
  614    HB2  ARG 828           HB2      ARG 828  -2.330 -12.143   0.875
  615    HB3  ARG 828           HB3      ARG 828  -1.946 -10.795   1.946
  616    HG2  ARG 828           HG2      ARG 828  -0.564 -10.640   0.018
  617    HG3  ARG 828           HG3      ARG 828   0.474 -11.074   1.371
  618    HD2  ARG 828           HD2      ARG 828   0.632 -13.371   0.582
  619    HD3  ARG 828           HD3      ARG 828  -0.631 -13.103  -0.604
  620    HE   ARG 828           HE       ARG 828   0.796 -11.812  -1.939
  621   HH11  ARG 828          HH11      ARG 828   2.715 -12.935   0.871
  622   HH12  ARG 828          HH12      ARG 828   4.194 -12.745  -0.042
  623   HH21  ARG 828          HH21      ARG 828   2.799 -11.648  -2.967
  624   HH22  ARG 828          HH22      ARG 828   4.230 -12.025  -2.052
  625    H    VAL 829           H        VAL 829   0.802 -13.786   3.421
  626    HA   VAL 829           HA       VAL 829   1.676 -11.554   5.231
  627    HB   VAL 829           HB       VAL 829   2.915 -13.217   6.584
  628   HG11  VAL 829          HG11      VAL 829  -0.091 -13.673   6.545
  629   HG12  VAL 829          HG12      VAL 829   1.032 -13.920   7.908
  630   HG13  VAL 829          HG13      VAL 829   0.733 -12.287   7.287
  631   HG21  VAL 829          HG21      VAL 829   1.276 -15.340   5.154
  632   HG22  VAL 829          HG22      VAL 829   3.034 -15.096   4.958
  633   HG23  VAL 829          HG23      VAL 829   2.384 -15.583   6.532
  634    H    GLY 830           H        GLY 830   4.119 -11.601   5.580
  635    HA2  GLY 830           HA2      GLY 830   5.327 -11.383   2.972
  636    HA3  GLY 830           HA3      GLY 830   6.067 -10.944   4.509
  637    H    MET 831           H        MET 831   7.728 -11.876   2.878
  638    HA   MET 831           HA       MET 831   7.802 -14.668   2.344
  639    HB2  MET 831           HB2      MET 831   8.836 -12.845   0.993
  640    HB3  MET 831           HB3      MET 831  10.067 -12.637   2.254
  641    HG2  MET 831           HG2      MET 831  10.777 -15.018   1.887
  642    HG3  MET 831           HG3      MET 831   9.539 -15.179   0.650
  643    HE1  MET 831           HE1      MET 831  13.011 -14.159   1.674
  644    HE2  MET 831           HE2      MET 831  13.550 -12.953   0.487
  645    HE3  MET 831           HE3      MET 831  12.298 -12.529   1.660
  646    H    LEU 832           H        LEU 832   9.137 -16.302   3.113
  647    HA   LEU 832           HA       LEU 832   9.680 -16.277   5.970
  648    HB2  LEU 832           HB2      LEU 832  10.162 -18.405   3.847
  649    HB3  LEU 832           HB3      LEU 832  10.345 -18.628   5.569
  650    HG   LEU 832           HG       LEU 832   8.341 -19.648   5.007
  651   HD11  LEU 832          HD11      LEU 832   8.242 -18.257   7.080
  652   HD12  LEU 832          HD12      LEU 832   6.648 -18.517   6.332
  653   HD13  LEU 832          HD13      LEU 832   7.473 -16.957   6.145
  654   HD21  LEU 832          HD21      LEU 832   8.005 -18.496   2.801
  655   HD22  LEU 832          HD22      LEU 832   7.216 -17.159   3.665
  656   HD23  LEU 832          HD23      LEU 832   6.524 -18.781   3.737
  657    H    LYS 833           H        LYS 833  11.430 -15.273   6.727
  658    HA   LYS 833           HA       LYS 833  13.983 -15.165   5.306
  659    HB2  LYS 833           HB2      LYS 833  13.111 -14.375   8.116
  660    HB3  LYS 833           HB3      LYS 833  14.733 -14.112   7.474
  661    HG2  LYS 833           HG2      LYS 833  13.885 -12.638   5.726
  662    HG3  LYS 833           HG3      LYS 833  12.212 -12.972   6.167
  663    HD2  LYS 833           HD2      LYS 833  12.974 -10.787   7.010
  664    HD3  LYS 833           HD3      LYS 833  12.481 -11.875   8.324
  665    HE2  LYS 833           HE2      LYS 833  14.836 -12.427   8.774
  666    HE3  LYS 833           HE3      LYS 833  15.361 -11.429   7.408
  667    HZ1  LYS 833           HZ1      LYS 833  15.569 -10.239   9.518
  668    HZ2  LYS 833           HZ2      LYS 833  13.969 -10.393   9.816
  669    HZ3  LYS 833           HZ3      LYS 833  14.486  -9.485   8.553
  670    H    GLU 834           H        GLU 834  12.539 -17.302   7.353
  671    HA   GLU 834           HA       GLU 834  14.638 -19.301   7.094
  672    HB2  GLU 834           HB2      GLU 834  14.817 -19.877   9.453
  673    HB3  GLU 834           HB3      GLU 834  15.415 -18.246   9.143
  674    HG2  GLU 834           HG2      GLU 834  13.264 -17.303  10.014
  675    HG3  GLU 834           HG3      GLU 834  12.712 -18.940  10.380
  676    H    LYS 835           H        LYS 835  13.811 -21.424   7.309
  677    HA   LYS 835           HA       LYS 835  11.037 -21.575   6.500
  678    HB2  LYS 835           HB2      LYS 835  13.257 -23.609   6.887
  679    HB3  LYS 835           HB3      LYS 835  11.613 -24.124   6.567
  680    HG2  LYS 835           HG2      LYS 835  12.818 -24.098   4.519
  681    HG3  LYS 835           HG3      LYS 835  11.551 -22.876   4.460
  682    HD2  LYS 835           HD2      LYS 835  13.195 -21.086   4.793
  683    HD3  LYS 835           HD3      LYS 835  14.489 -22.264   5.001
  684    HE2  LYS 835           HE2      LYS 835  12.799 -21.962   2.472
  685    HE3  LYS 835           HE3      LYS 835  14.348 -21.150   2.722
  686    HZ1  LYS 835           HZ1      LYS 835  14.647 -23.185   1.482
  687    HZ2  LYS 835           HZ2      LYS 835  13.997 -24.089   2.672
  688    HZ3  LYS 835           HZ3      LYS 835  15.417 -23.306   2.908
  689    H    THR 836           H        THR 836   9.289 -22.559   7.423
  690    HA   THR 836           HA       THR 836   8.924 -22.463  10.268
  691    HB   THR 836           HB       THR 836   7.180 -23.861   8.192
  692    HG1  THR 836           HG1      THR 836   7.237 -21.132   8.992
  693   HG21  THR 836          HG21      THR 836   6.403 -24.268  10.466
  694   HG22  THR 836          HG22      THR 836   5.332 -23.091   9.700
  695   HG23  THR 836          HG23      THR 836   6.547 -22.549  10.881
  696    H    GLY 837           H        GLY 837   8.911 -24.023  11.798
  697    HA2  GLY 837           HA2      GLY 837  10.282 -26.564  11.242
  698    HA3  GLY 837           HA3      GLY 837   9.819 -25.925  12.826
  699    HA   PRO 838           HA       PRO 838   7.134 -29.615  11.659
  700    HB2  PRO 838           HB2      PRO 838   7.890 -30.252  14.513
  701    HB3  PRO 838           HB3      PRO 838   7.677 -31.367  13.124
  702    HG2  PRO 838           HG2      PRO 838  10.164 -30.667  13.952
  703    HG3  PRO 838           HG3      PRO 838   9.784 -30.719  12.197
  704    HD2  PRO 838           HD2      PRO 838   9.867 -28.301  14.026
  705    HD3  PRO 838           HD3      PRO 838  10.567 -28.507  12.387
  706    H    LYS 839           H        LYS 839   4.974 -29.735  12.124
  707    HA   LYS 839           HA       LYS 839   3.823 -27.618  13.808
  708    HB2  LYS 839           HB2      LYS 839   2.547 -29.646  11.932
  709    HB3  LYS 839           HB3      LYS 839   1.692 -28.313  12.710
  710    HG2  LYS 839           HG2      LYS 839   3.184 -26.682  11.560
  711    HG3  LYS 839           HG3      LYS 839   3.973 -28.017  10.704
  712    HD2  LYS 839           HD2      LYS 839   1.771 -28.659   9.706
  713    HD3  LYS 839           HD3      LYS 839   1.025 -27.256  10.508
  714    HE2  LYS 839           HE2      LYS 839   2.650 -25.761   9.318
  715    HE3  LYS 839           HE3      LYS 839   3.332 -27.184   8.497
  716    HZ1  LYS 839           HZ1      LYS 839   1.137 -27.550   7.500
  717    HZ2  LYS 839           HZ2      LYS 839   1.709 -26.064   7.104
  718    HZ3  LYS 839           HZ3      LYS 839   0.546 -26.210   8.244
  719    H    LEU 840           H        LEU 840   1.961 -27.995  15.194
  720    HA   LEU 840           HA       LEU 840   2.547 -29.975  17.240
  721    HB2  LEU 840           HB2      LEU 840   0.321 -27.919  16.874
  722    HB3  LEU 840           HB3      LEU 840   0.416 -28.984  18.259
  723    HG   LEU 840           HG       LEU 840   1.221 -26.845  18.876
  724   HD11  LEU 840          HD11      LEU 840   2.320 -28.843  19.887
  725   HD12  LEU 840          HD12      LEU 840   3.341 -27.395  19.890
  726   HD13  LEU 840          HD13      LEU 840   3.639 -28.684  18.709
  727   HD21  LEU 840          HD21      LEU 840   2.008 -26.033  16.655
  728   HD22  LEU 840          HD22      LEU 840   3.481 -27.008  16.851
  729   HD23  LEU 840          HD23      LEU 840   3.131 -25.703  17.983
  730    H    GLY 841           H        GLY 841   0.342 -29.929  14.534
  731    HA2  GLY 841           HA2      GLY 841  -0.866 -31.697  13.610
  732    HA3  GLY 841           HA3      GLY 841  -0.394 -32.728  14.965
  733    H    GLY 842           H        GLY 842  -2.546 -33.540  14.851
  734    HA2  GLY 842           HA2      GLY 842  -4.420 -32.424  16.733
  735    HA3  GLY 842           HA3      GLY 842  -4.975 -32.159  15.074
  Start of MODEL   11
    1    H1   GLY  -4           H1       GLY  -4   6.151  -6.946 -17.578
    2    H2   GLY  -4           H2       GLY  -4   7.389  -5.897 -17.369
    3    H3   GLY  -4           H3       GLY  -4   6.642  -6.531 -16.067
    4    HA2  GLY  -4           HA2      GLY  -4   7.412  -8.757 -16.649
    5    HA3  GLY  -4           HA3      GLY  -4   8.253  -8.035 -18.027
    6    HA   PRO  -3           HA       PRO  -3  11.109  -8.574 -14.311
    7    HB2  PRO  -3           HB2      PRO  -3  12.886  -9.244 -16.670
    8    HB3  PRO  -3           HB3      PRO  -3  12.884  -9.958 -15.034
    9    HG2  PRO  -3           HG2      PRO  -3  11.705 -11.267 -17.063
   10    HG3  PRO  -3           HG3      PRO  -3  10.855 -11.139 -15.485
   11    HD2  PRO  -3           HD2      PRO  -3  10.426  -9.488 -17.988
   12    HD3  PRO  -3           HD3      PRO  -3   9.210 -10.251 -16.906
   13    H    MET  -2           H        MET  -2  11.547  -6.827 -17.386
   14    HA   MET  -2           HA       MET  -2  13.808  -5.301 -16.820
   15    HB2  MET  -2           HB2      MET  -2  11.415  -4.385 -18.473
   16    HB3  MET  -2           HB3      MET  -2  13.089  -3.880 -18.645
   17    HG2  MET  -2           HG2      MET  -2  12.859  -5.365 -20.393
   18    HG3  MET  -2           HG3      MET  -2  13.619  -6.365 -19.162
   19    HE1  MET  -2           HE1      MET  -2  12.377  -7.580 -21.720
   20    HE2  MET  -2           HE2      MET  -2  13.007  -8.576 -20.390
   21    HE3  MET  -2           HE3      MET  -2  11.412  -8.932 -21.087
   22    H    GLY  -1           H        GLY  -1  10.566  -4.819 -15.625
   23    HA2  GLY  -1           HA2      GLY  -1  11.298  -2.200 -14.329
   24    HA3  GLY  -1           HA3      GLY  -1   9.661  -2.702 -14.790
   25    H    MET 755           H        MET 755  11.258  -5.372 -13.508
   26    HA   MET 755           HA       MET 755   9.455  -5.386 -11.241
   27    HB2  MET 755           HB2      MET 755   9.947  -7.340 -12.691
   28    HB3  MET 755           HB3      MET 755  11.580  -7.403 -12.054
   29    HG2  MET 755           HG2      MET 755  10.047  -9.054 -11.030
   30    HG3  MET 755           HG3      MET 755  10.802  -8.005  -9.868
   31    HE1  MET 755           HE1      MET 755   7.640  -7.160 -12.176
   32    HE2  MET 755           HE2      MET 755   7.540  -8.894 -11.801
   33    HE3  MET 755           HE3      MET 755   6.341  -7.770 -11.138
   34    H    GLN 756           H        GLN 756  10.079  -5.958  -9.051
   35    HA   GLN 756           HA       GLN 756  12.659  -4.808  -8.071
   36    HB2  GLN 756           HB2      GLN 756   9.856  -4.207  -6.993
   37    HB3  GLN 756           HB3      GLN 756  11.375  -3.725  -6.228
   38    HG2  GLN 756           HG2      GLN 756  11.943  -2.362  -8.256
   39    HG3  GLN 756           HG3      GLN 756  10.379  -2.792  -8.957
   40   HE21  GLN 756          HE21      GLN 756  11.918  -1.063  -6.181
   41   HE22  GLN 756          HE22      GLN 756  10.526  -0.037  -5.886
   42    H    SER 757           H        SER 757  12.751  -5.317  -5.535
   43    HA   SER 757           HA       SER 757  12.661  -8.233  -5.349
   44    HB2  SER 757           HB2      SER 757  13.631  -6.127  -3.381
   45    HB3  SER 757           HB3      SER 757  13.909  -7.873  -3.264
   46    HG   SER 757           HG       SER 757  15.717  -6.749  -4.191
   47    H    ILE 758           H        ILE 758  10.262  -8.201  -5.505
   48    HA   ILE 758           HA       ILE 758   8.631  -7.419  -3.262
   49    HB   ILE 758           HB       ILE 758   7.955  -9.503  -5.372
   50   HG12  ILE 758          HG12      ILE 758   8.721  -7.623  -6.658
   51   HG13  ILE 758          HG13      ILE 758   6.993  -7.726  -6.753
   52   HG21  ILE 758          HG21      ILE 758   6.278  -9.391  -3.624
   53   HG22  ILE 758          HG22      ILE 758   6.206  -7.627  -3.730
   54   HG23  ILE 758          HG23      ILE 758   5.628  -8.629  -5.066
   55   HD11  ILE 758          HD11      ILE 758   6.769  -5.836  -5.126
   56   HD12  ILE 758          HD12      ILE 758   8.548  -5.731  -5.030
   57   HD13  ILE 758          HD13      ILE 758   7.715  -5.395  -6.560
   58    H    ARG 759           H        ARG 759   7.553  -8.673  -1.690
   59    HA   ARG 759           HA       ARG 759   9.050 -10.851  -0.528
   60    HB2  ARG 759           HB2      ARG 759   7.525 -10.667   1.327
   61    HB3  ARG 759           HB3      ARG 759   8.044  -9.079   0.795
   62    HG2  ARG 759           HG2      ARG 759   5.846  -8.949  -0.577
   63    HG3  ARG 759           HG3      ARG 759   5.339 -10.406   0.270
   64    HD2  ARG 759           HD2      ARG 759   4.365  -8.542   1.374
   65    HD3  ARG 759           HD3      ARG 759   5.614  -9.162   2.450
   66    HE   ARG 759           HE       ARG 759   5.761  -6.695   0.742
   67   HH11  ARG 759          HH11      ARG 759   7.025  -8.396   3.591
   68   HH12  ARG 759          HH12      ARG 759   7.987  -7.038   4.073
   69   HH21  ARG 759          HH21      ARG 759   7.007  -4.998   1.436
   70   HH22  ARG 759          HH22      ARG 759   7.986  -5.155   2.870
   71    H    GLU 760           H        GLU 760   7.613 -11.382  -3.134
   72    HA   GLU 760           HA       GLU 760   6.919 -14.131  -2.410
   73    HB2  GLU 760           HB2      GLU 760   5.288 -14.210  -4.345
   74    HB3  GLU 760           HB3      GLU 760   4.706 -13.535  -2.832
   75    HG2  GLU 760           HG2      GLU 760   4.957 -11.246  -3.727
   76    HG3  GLU 760           HG3      GLU 760   5.586 -11.898  -5.250
   77    H    GLN 761           H        GLN 761   7.962 -15.554  -3.740
   78    HA   GLN 761           HA       GLN 761  10.084 -14.201  -5.354
   79    HB2  GLN 761           HB2      GLN 761  11.658 -15.688  -4.308
   80    HB3  GLN 761           HB3      GLN 761  10.703 -14.853  -3.081
   81    HG2  GLN 761           HG2      GLN 761   9.244 -16.964  -2.957
   82    HG3  GLN 761           HG3      GLN 761  10.456 -17.750  -3.974
   83   HE21  GLN 761          HE21      GLN 761  10.047 -16.020  -0.806
   84   HE22  GLN 761          HE22      GLN 761  11.366 -16.913  -0.045
   85    H    SER 762           H        SER 762  10.916 -15.103  -7.200
   86    HA   SER 762           HA       SER 762   9.346 -16.881  -8.724
   87    HB2  SER 762           HB2      SER 762  12.288 -16.184  -9.074
   88    HB3  SER 762           HB3      SER 762  11.208 -16.851 -10.315
   89    HG   SER 762           HG       SER 762  11.451 -14.532 -10.466
   90    H    CYS 763           H        CYS 763   9.466 -19.008  -9.255
   91    HA   CYS 763           HA       CYS 763  11.446 -20.802  -7.972
   92    HB2  CYS 763           HB2      CYS 763   9.501 -20.196  -6.381
   93    HB3  CYS 763           HB3      CYS 763   8.443 -21.084  -7.477
   94    HG   CYS 763           HG       CYS 763  11.172 -22.141  -5.869
   95    H    ARG 764           H        ARG 764  11.130 -23.098  -8.689
   96    HA   ARG 764           HA       ARG 764  10.078 -23.299 -11.468
   97    HB2  ARG 764           HB2      ARG 764  12.384 -24.057 -11.058
   98    HB3  ARG 764           HB3      ARG 764  11.796 -25.246  -9.891
   99    HG2  ARG 764           HG2      ARG 764  10.574 -26.434 -11.639
  100    HG3  ARG 764           HG3      ARG 764  10.847 -25.127 -12.797
  101    HD2  ARG 764           HD2      ARG 764  12.316 -26.969 -13.307
  102    HD3  ARG 764           HD3      ARG 764  13.264 -25.576 -12.779
  103    HE   ARG 764           HE       ARG 764  12.655 -27.384 -10.580
  104   HH11  ARG 764          HH11      ARG 764  14.912 -26.980 -13.288
  105   HH12  ARG 764          HH12      ARG 764  16.148 -27.916 -12.497
  106   HH21  ARG 764          HH21      ARG 764  14.304 -28.553  -9.628
  107   HH22  ARG 764          HH22      ARG 764  15.818 -28.777 -10.456
  108    H    VAL 765           H        VAL 765   8.363 -24.491 -11.952
  109    HA   VAL 765           HA       VAL 765   6.729 -25.829  -9.845
  110    HB   VAL 765           HB       VAL 765   4.765 -24.503 -10.616
  111   HG11  VAL 765          HG11      VAL 765   5.277 -22.431  -9.405
  112   HG12  VAL 765          HG12      VAL 765   5.933 -23.841  -8.555
  113   HG13  VAL 765          HG13      VAL 765   7.008 -22.777  -9.487
  114   HG21  VAL 765          HG21      VAL 765   5.688 -23.802 -12.822
  115   HG22  VAL 765          HG22      VAL 765   4.979 -22.471 -11.885
  116   HG23  VAL 765          HG23      VAL 765   6.740 -22.660 -11.979
  117    H    VAL 766           H        VAL 766   4.652 -26.727 -10.890
  118    HA   VAL 766           HA       VAL 766   5.295 -27.956 -13.558
  119    HB   VAL 766           HB       VAL 766   6.005 -29.553 -11.904
  120   HG11  VAL 766          HG11      VAL 766   4.801 -28.891  -9.914
  121   HG12  VAL 766          HG12      VAL 766   3.238 -29.374 -10.625
  122   HG13  VAL 766          HG13      VAL 766   4.463 -30.581 -10.270
  123   HG21  VAL 766          HG21      VAL 766   3.307 -30.567 -12.886
  124   HG22  VAL 766          HG22      VAL 766   4.775 -30.435 -13.895
  125   HG23  VAL 766          HG23      VAL 766   4.753 -31.507 -12.483
  126    H    THR 767           H        THR 767   3.617 -28.279 -14.912
  127    HA   THR 767           HA       THR 767   0.812 -28.057 -13.851
  128    HB   THR 767           HB       THR 767   1.830 -27.466 -16.648
  129    HG1  THR 767           HG1      THR 767   2.077 -25.744 -15.277
  130   HG21  THR 767          HG21      THR 767  -0.366 -28.605 -16.808
  131   HG22  THR 767          HG22      THR 767  -0.542 -26.872 -17.118
  132   HG23  THR 767          HG23      THR 767  -1.040 -27.531 -15.555
  133    H    CYS 768           H        CYS 768  -0.057 -29.966 -13.580
  134    HA   CYS 768           HA       CYS 768   0.841 -32.394 -15.015
  135    HB2  CYS 768           HB2      CYS 768   0.141 -32.454 -12.601
  136    HB3  CYS 768           HB3      CYS 768  -1.495 -31.973 -13.106
  137    H    LYS 769           H        LYS 769   0.140 -32.775 -17.012
  138    HA   LYS 769           HA       LYS 769  -2.039 -31.228 -18.231
  139    HB2  LYS 769           HB2      LYS 769  -0.235 -33.438 -19.312
  140    HB3  LYS 769           HB3      LYS 769  -1.364 -32.497 -20.282
  141    HG2  LYS 769           HG2      LYS 769   1.052 -31.358 -18.804
  142    HG3  LYS 769           HG3      LYS 769   0.943 -31.697 -20.529
  143    HD2  LYS 769           HD2      LYS 769  -0.921 -30.044 -20.731
  144    HD3  LYS 769           HD3      LYS 769  -0.719 -29.630 -19.021
  145    HE2  LYS 769           HE2      LYS 769   1.604 -28.926 -19.441
  146    HE3  LYS 769           HE3      LYS 769   1.467 -29.422 -21.142
  147    HZ1  LYS 769           HZ1      LYS 769  -0.161 -27.289 -19.889
  148    HZ2  LYS 769           HZ2      LYS 769  -0.225 -27.722 -21.456
  149    HZ3  LYS 769           HZ3      LYS 769   1.132 -27.025 -20.845
  150    H    THR 770           H        THR 770  -1.723 -34.324 -16.701
  151    HA   THR 770           HA       THR 770  -4.083 -35.554 -17.908
  152    HB   THR 770           HB       THR 770  -2.546 -36.313 -15.387
  153    HG1  THR 770           HG1      THR 770  -2.290 -37.180 -18.088
  154   HG21  THR 770          HG21      THR 770  -4.681 -37.478 -15.494
  155   HG22  THR 770          HG22      THR 770  -3.405 -38.606 -15.951
  156   HG23  THR 770          HG23      THR 770  -4.442 -37.887 -17.210
  157    H    CYS 771           H        CYS 771  -3.462 -33.844 -14.778
  158    HA   CYS 771           HA       CYS 771  -6.339 -34.007 -14.124
  159    HB2  CYS 771           HB2      CYS 771  -3.952 -33.002 -12.566
  160    HB3  CYS 771           HB3      CYS 771  -5.594 -33.158 -11.950
  161    H    LYS 772           H        LYS 772  -4.060 -31.717 -15.373
  162    HA   LYS 772           HA       LYS 772  -4.392 -29.810 -16.513
  163    HB2  LYS 772           HB2      LYS 772  -7.230 -29.648 -15.438
  164    HB3  LYS 772           HB3      LYS 772  -6.553 -28.725 -16.773
  165    HG2  LYS 772           HG2      LYS 772  -6.349 -30.642 -18.183
  166    HG3  LYS 772           HG3      LYS 772  -6.748 -31.771 -16.868
  167    HD2  LYS 772           HD2      LYS 772  -8.979 -30.769 -16.618
  168    HD3  LYS 772           HD3      LYS 772  -8.662 -29.663 -17.959
  169    HE2  LYS 772           HE2      LYS 772  -8.653 -32.715 -18.145
  170    HE3  LYS 772           HE3      LYS 772 -10.021 -31.682 -18.576
  171    HZ1  LYS 772           HZ1      LYS 772  -8.746 -32.262 -20.520
  172    HZ2  LYS 772           HZ2      LYS 772  -7.379 -31.625 -19.907
  173    HZ3  LYS 772           HZ3      LYS 772  -8.638 -30.654 -20.286
  174    H    TYR 773           H        TYR 773  -3.822 -29.953 -13.401
  175    HA   TYR 773           HA       TYR 773  -4.264 -27.053 -12.780
  176    HB2  TYR 773           HB2      TYR 773  -4.057 -27.611 -10.480
  177    HB3  TYR 773           HB3      TYR 773  -5.259 -28.650 -11.197
  178    HD1  TYR 773           HD1      TYR 773  -1.807 -28.497  -9.840
  179    HD2  TYR 773           HD2      TYR 773  -4.939 -31.076 -11.285
  180    HE1  TYR 773           HE1      TYR 773  -0.580 -30.464  -8.950
  181    HE2  TYR 773           HE2      TYR 773  -3.830 -33.029 -10.166
  182    HH   TYR 773           HH       TYR 773  -0.684 -32.712  -8.503
  183    H    THR 774           H        THR 774  -2.623 -25.935 -11.553
  184    HA   THR 774           HA       THR 774   0.193 -26.676 -12.232
  185    HB   THR 774           HB       THR 774  -0.908 -23.904 -11.676
  186    HG1  THR 774           HG1      THR 774  -0.182 -25.085 -14.159
  187   HG21  THR 774          HG21      THR 774   1.205 -23.158 -12.744
  188   HG22  THR 774          HG22      THR 774   1.740 -24.851 -12.882
  189   HG23  THR 774          HG23      THR 774   1.539 -24.115 -11.294
  190    H    HIS 775           H        HIS 775   1.664 -26.799 -10.602
  191    HA   HIS 775           HA       HIS 775   1.045 -25.986  -7.840
  192    HB2  HIS 775           HB2      HIS 775   0.251 -28.480  -8.737
  193    HB3  HIS 775           HB3      HIS 775   1.851 -28.858  -8.154
  194    HD1  HIS 775           HD1      HIS 775   1.819 -29.397  -5.562
  195    HD2  HIS 775           HD2      HIS 775  -1.430 -27.114  -6.946
  196    HE1  HIS 775           HE1      HIS 775   0.275 -29.076  -3.562
  197    H    PHE 776           H        PHE 776   2.931 -26.700  -6.341
  198    HA   PHE 776           HA       PHE 776   5.459 -25.816  -7.377
  199    HB2  PHE 776           HB2      PHE 776   5.110 -27.430  -4.851
  200    HB3  PHE 776           HB3      PHE 776   6.260 -26.150  -5.174
  201    HD1  PHE 776           HD2      PHE 776   5.185 -23.724  -5.572
  202    HD2  PHE 776           HD1      PHE 776   3.207 -27.004  -3.578
  203    HE1  PHE 776           HE2      PHE 776   3.635 -22.129  -4.449
  204    HE2  PHE 776           HE1      PHE 776   1.678 -25.397  -2.464
  205    HZ   PHE 776           HZ       PHE 776   1.900 -22.971  -2.895
  206    H    LYS 777           H        LYS 777   4.041 -28.997  -6.885
  207    HA   LYS 777           HA       LYS 777   6.072 -30.430  -8.379
  208    HB2  LYS 777           HB2      LYS 777   6.831 -31.852  -6.537
  209    HB3  LYS 777           HB3      LYS 777   7.225 -30.173  -6.225
  210    HG2  LYS 777           HG2      LYS 777   5.162 -30.036  -4.725
  211    HG3  LYS 777           HG3      LYS 777   4.962 -31.783  -4.963
  212    HD2  LYS 777           HD2      LYS 777   7.245 -32.158  -4.069
  213    HD3  LYS 777           HD3      LYS 777   7.412 -30.399  -3.814
  214    HE2  LYS 777           HE2      LYS 777   5.455 -30.442  -2.282
  215    HE3  LYS 777           HE3      LYS 777   5.292 -32.184  -2.529
  216    HZ1  LYS 777           HZ1      LYS 777   7.638 -30.843  -1.304
  217    HZ2  LYS 777           HZ2      LYS 777   7.510 -32.460  -1.549
  218    HZ3  LYS 777           HZ3      LYS 777   6.510 -31.700  -0.502
  219    HA   PRO 778           HA       PRO 778   2.484 -33.024  -8.919
  220    HB2  PRO 778           HB2      PRO 778   3.510 -35.379  -9.844
  221    HB3  PRO 778           HB3      PRO 778   3.616 -33.853 -10.779
  222    HG2  PRO 778           HG2      PRO 778   5.723 -35.079  -8.974
  223    HG3  PRO 778           HG3      PRO 778   5.921 -34.484 -10.656
  224    HD2  PRO 778           HD2      PRO 778   6.564 -32.950  -8.496
  225    HD3  PRO 778           HD3      PRO 778   5.854 -32.245  -9.978
  226    H    LYS 779           H        LYS 779   1.346 -34.866  -8.024
  227    HA   LYS 779           HA       LYS 779   2.047 -35.494  -5.259
  228    HB2  LYS 779           HB2      LYS 779  -0.156 -36.505  -7.089
  229    HB3  LYS 779           HB3      LYS 779   0.005 -36.943  -5.390
  230    HG2  LYS 779           HG2      LYS 779  -0.097 -34.512  -4.793
  231    HG3  LYS 779           HG3      LYS 779  -0.466 -34.140  -6.469
  232    HD2  LYS 779           HD2      LYS 779  -2.149 -36.043  -4.779
  233    HD3  LYS 779           HD3      LYS 779  -2.412 -34.309  -4.830
  234    HE2  LYS 779           HE2      LYS 779  -3.998 -35.290  -6.271
  235    HE3  LYS 779           HE3      LYS 779  -2.839 -34.402  -7.271
  236    HZ1  LYS 779           HZ1      LYS 779  -1.929 -36.408  -8.047
  237    HZ2  LYS 779           HZ2      LYS 779  -3.537 -36.698  -8.032
  238    HZ3  LYS 779           HZ3      LYS 779  -2.598 -37.315  -6.847
  239    H    GLU 780           H        GLU 780   2.227 -37.593  -4.386
  240    HA   GLU 780           HA       GLU 780   4.034 -39.389  -5.760
  241    HB2  GLU 780           HB2      GLU 780   3.688 -40.912  -3.887
  242    HB3  GLU 780           HB3      GLU 780   4.144 -39.303  -3.370
  243    HG2  GLU 780           HG2      GLU 780   1.231 -40.167  -3.351
  244    HG3  GLU 780           HG3      GLU 780   2.337 -40.626  -2.068
  245    H    THR 781           H        THR 781   0.492 -39.263  -5.453
  246    HA   THR 781           HA       THR 781  -0.019 -41.767  -6.808
  247    HB   THR 781           HB       THR 781  -2.317 -40.687  -7.153
  248    HG1  THR 781           HG1      THR 781  -2.495 -38.948  -5.453
  249   HG21  THR 781          HG21      THR 781  -1.209 -40.916  -4.316
  250   HG22  THR 781          HG22      THR 781  -1.793 -42.261  -5.327
  251   HG23  THR 781          HG23      THR 781  -2.921 -41.010  -4.786
  252    H    CYS 782           H        CYS 782   0.309 -38.388  -7.970
  253    HA   CYS 782           HA       CYS 782  -0.294 -38.961 -10.702
  254    HB2  CYS 782           HB2      CYS 782   1.356 -36.754  -9.373
  255    HB3  CYS 782           HB3      CYS 782   1.042 -36.835 -11.089
  256    H    VAL 783           H        VAL 783   2.793 -38.906  -8.917
  257    HA   VAL 783           HA       VAL 783   4.433 -39.681 -11.161
  258    HB   VAL 783           HB       VAL 783   4.921 -39.920  -8.174
  259   HG11  VAL 783          HG11      VAL 783   7.344 -40.153  -8.783
  260   HG12  VAL 783          HG12      VAL 783   6.386 -41.565  -9.239
  261   HG13  VAL 783          HG13      VAL 783   6.867 -40.381 -10.477
  262   HG21  VAL 783          HG21      VAL 783   6.348 -37.943  -8.502
  263   HG22  VAL 783          HG22      VAL 783   6.034 -37.970 -10.252
  264   HG23  VAL 783          HG23      VAL 783   4.734 -37.584  -9.122
  265    H    SER 784           H        SER 784   2.857 -41.687  -8.580
  266    HA   SER 784           HA       SER 784   3.871 -44.198  -9.520
  267    HB2  SER 784           HB2      SER 784   2.934 -43.754  -7.269
  268    HB3  SER 784           HB3      SER 784   1.314 -43.618  -7.978
  269    HG   SER 784           HG       SER 784   1.761 -45.719  -7.123
  270    H    GLU 785           H        GLU 785   0.769 -42.544 -10.260
  271    HA   GLU 785           HA       GLU 785  -0.073 -44.625 -12.139
  272    HB2  GLU 785           HB2      GLU 785  -1.139 -41.819 -11.588
  273    HB3  GLU 785           HB3      GLU 785  -1.898 -42.964 -12.684
  274    HG2  GLU 785           HG2      GLU 785  -1.482 -43.479  -9.698
  275    HG3  GLU 785           HG3      GLU 785  -2.966 -42.884 -10.434
  276    H    ASN 786           H        ASN 786   2.291 -42.258 -12.409
  277    HA   ASN 786           HA       ASN 786   3.476 -41.350 -14.079
  278    HB2  ASN 786           HB2      ASN 786   2.494 -43.875 -15.452
  279    HB3  ASN 786           HB3      ASN 786   3.586 -42.745 -16.240
  280   HD21  ASN 786          HD21      ASN 786   3.346 -44.663 -13.154
  281   HD22  ASN 786          HD22      ASN 786   5.078 -44.903 -13.069
  282    H    HIS 787           H        HIS 787   1.376 -39.876 -13.664
  283    HA   HIS 787           HA       HIS 787  -0.136 -39.086 -16.012
  284    HB2  HIS 787           HB2      HIS 787   0.710 -37.629 -13.471
  285    HB3  HIS 787           HB3      HIS 787  -0.261 -36.886 -14.736
  286    HD2  HIS 787           HD2      HIS 787  -1.345 -40.451 -14.341
  287    HE1  HIS 787           HE1      HIS 787  -4.051 -38.264 -11.898
  288    HE2  HIS 787           HE2      HIS 787  -3.562 -40.521 -12.984
  289    H    ASP 788           H        ASP 788   0.195 -37.244 -17.318
  290    HA   ASP 788           HA       ASP 788   3.050 -36.757 -18.040
  291    HB2  ASP 788           HB2      ASP 788   0.418 -36.024 -19.380
  292    HB3  ASP 788           HB3      ASP 788   2.006 -35.500 -19.952
  293    H    PHE 789           H        PHE 789   4.082 -34.864 -17.614
  294    HA   PHE 789           HA       PHE 789   2.505 -32.493 -16.849
  295    HB2  PHE 789           HB2      PHE 789   4.756 -32.369 -15.169
  296    HB3  PHE 789           HB3      PHE 789   3.085 -32.462 -14.724
  297    HD1  PHE 789           HD1      PHE 789   6.238 -34.344 -15.048
  298    HD2  PHE 789           HD2      PHE 789   2.096 -34.533 -13.866
  299    HE1  PHE 789           HE1      PHE 789   6.710 -36.394 -13.720
  300    HE2  PHE 789           HE2      PHE 789   2.580 -36.565 -12.541
  301    HZ   PHE 789           HZ       PHE 789   4.880 -37.506 -12.467
  302    H    HIS 790           H        HIS 790   3.535 -30.522 -17.024
  303    HA   HIS 790           HA       HIS 790   6.139 -30.423 -18.518
  304    HB2  HIS 790           HB2      HIS 790   3.704 -28.622 -18.722
  305    HB3  HIS 790           HB3      HIS 790   5.309 -28.118 -19.222
  306    HD1  HIS 790           HD1      HIS 790   5.317 -28.168 -21.800
  307    HD2  HIS 790           HD2      HIS 790   3.395 -31.468 -20.043
  308    HE1  HIS 790           HE1      HIS 790   4.595 -29.682 -23.717
  309    H    TRP 791           H        TRP 791   7.728 -29.505 -17.374
  310    HA   TRP 791           HA       TRP 791   7.133 -27.961 -14.913
  311    HB2  TRP 791           HB2      TRP 791   9.688 -29.159 -16.020
  312    HB3  TRP 791           HB3      TRP 791   9.632 -28.115 -14.609
  313    HD1  TRP 791           HD1      TRP 791   8.524 -31.621 -15.734
  314    HE1  TRP 791           HE1      TRP 791   8.165 -33.087 -13.667
  315    HE3  TRP 791           HE3      TRP 791   9.004 -28.040 -12.097
  316    HZ2  TRP 791           HZ2      TRP 791   8.166 -32.770 -10.789
  317    HZ3  TRP 791           HZ3      TRP 791   8.809 -28.651  -9.700
  318    HH2  TRP 791           HH2      TRP 791   8.412 -31.018  -9.035
  319    H    HIS 792           H        HIS 792   7.851 -25.879 -14.587
  320    HA   HIS 792           HA       HIS 792   9.127 -24.225 -16.615
  321    HB2  HIS 792           HB2      HIS 792   7.187 -22.835 -17.112
  322    HB3  HIS 792           HB3      HIS 792   6.870 -24.482 -17.603
  323    HD1  HIS 792           HD1      HIS 792   5.367 -21.772 -15.489
  324    HD2  HIS 792           HD2      HIS 792   5.212 -25.970 -15.839
  325    HE1  HIS 792           HE1      HIS 792   3.210 -22.514 -14.365
  326    H    ASN 793           H        ASN 793   8.737 -21.759 -15.865
  327    HA   ASN 793           HA       ASN 793   9.197 -21.679 -12.931
  328    HB2  ASN 793           HB2      ASN 793   9.799 -19.704 -15.165
  329    HB3  ASN 793           HB3      ASN 793   9.944 -19.313 -13.454
  330   HD21  ASN 793          HD21      ASN 793  11.287 -20.921 -12.091
  331   HD22  ASN 793          HD22      ASN 793  12.772 -21.470 -12.867
  332    H    GLY 794           H        GLY 794   8.251 -20.167 -11.619
  333    HA2  GLY 794           HA2      GLY 794   5.902 -18.574 -12.362
  334    HA3  GLY 794           HA3      GLY 794   5.556 -20.003 -11.385
  335    H    VAL 795           H        VAL 795   4.840 -18.488  -9.745
  336    HA   VAL 795           HA       VAL 795   6.920 -17.830  -7.810
  337    HB   VAL 795           HB       VAL 795   7.098 -15.765  -8.896
  338   HG11  VAL 795          HG11      VAL 795   5.157 -14.286  -9.439
  339   HG12  VAL 795          HG12      VAL 795   5.163 -15.772 -10.387
  340   HG13  VAL 795          HG13      VAL 795   4.054 -15.613  -9.012
  341   HG21  VAL 795          HG21      VAL 795   6.741 -15.660  -6.384
  342   HG22  VAL 795          HG22      VAL 795   6.462 -14.153  -7.284
  343   HG23  VAL 795          HG23      VAL 795   5.084 -15.123  -6.713
  344    H    LYS 796           H        LYS 796   6.266 -17.845  -5.783
  345    HA   LYS 796           HA       LYS 796   3.498 -18.812  -5.248
  346    HB2  LYS 796           HB2      LYS 796   4.501 -20.173  -3.533
  347    HB3  LYS 796           HB3      LYS 796   5.353 -20.408  -5.064
  348    HG2  LYS 796           HG2      LYS 796   7.009 -18.553  -4.085
  349    HG3  LYS 796           HG3      LYS 796   6.319 -19.067  -2.538
  350    HD2  LYS 796           HD2      LYS 796   7.682 -20.843  -4.597
  351    HD3  LYS 796           HD3      LYS 796   8.410 -20.217  -3.114
  352    HE2  LYS 796           HE2      LYS 796   6.724 -21.454  -1.757
  353    HE3  LYS 796           HE3      LYS 796   5.989 -22.084  -3.241
  354    HZ1  LYS 796           HZ1      LYS 796   8.765 -22.629  -2.351
  355    HZ2  LYS 796           HZ2      LYS 796   8.101 -23.195  -3.734
  356    HZ3  LYS 796           HZ3      LYS 796   7.520 -23.685  -2.290
  357    H    ARG 797           H        ARG 797   2.268 -18.006  -3.686
  358    HA   ARG 797           HA       ARG 797   3.223 -15.654  -2.096
  359    HB2  ARG 797           HB2      ARG 797   0.363 -15.878  -2.049
  360    HB3  ARG 797           HB3      ARG 797   1.352 -14.550  -2.569
  361    HG2  ARG 797           HG2      ARG 797   0.520 -16.871  -4.349
  362    HG3  ARG 797           HG3      ARG 797  -0.357 -15.354  -4.216
  363    HD2  ARG 797           HD2      ARG 797   1.289 -14.095  -5.272
  364    HD3  ARG 797           HD3      ARG 797   2.563 -15.291  -5.039
  365    HE   ARG 797           HE       ARG 797   0.807 -16.688  -6.542
  366   HH11  ARG 797          HH21      ARG 797   2.278 -13.502  -7.154
  367   HH12  ARG 797          HH22      ARG 797   1.964 -13.624  -8.870
  368   HH21  ARG 797          HH11      ARG 797   0.527 -16.787  -8.716
  369   HH22  ARG 797          HH12      ARG 797   1.027 -15.470  -9.750
  370    H    PHE 798           H        PHE 798   2.812 -15.612   0.076
  371    HA   PHE 798           HA       PHE 798   2.356 -18.271   1.337
  372    HB2  PHE 798           HB2      PHE 798   3.694 -15.845   2.568
  373    HB3  PHE 798           HB3      PHE 798   3.791 -17.517   3.093
  374    HD1  PHE 798           HD2      PHE 798   5.007 -19.205   1.557
  375    HD2  PHE 798           HD1      PHE 798   5.306 -14.926   1.042
  376    HE1  PHE 798           HE2      PHE 798   6.953 -19.510   0.051
  377    HE2  PHE 798           HE1      PHE 798   7.216 -15.237  -0.426
  378    HZ   PHE 798           HZ       PHE 798   8.041 -17.541  -0.985
  379    H    PHE 799           H        PHE 799   0.976 -18.469   3.183
  380    HA   PHE 799           HA       PHE 799  -0.805 -16.150   3.745
  381    HB2  PHE 799           HB2      PHE 799  -1.755 -18.956   3.117
  382    HB3  PHE 799           HB3      PHE 799  -2.761 -17.606   3.629
  383    HD1  PHE 799           HD2      PHE 799  -0.688 -18.922   0.827
  384    HD2  PHE 799           HD1      PHE 799  -3.456 -15.872   2.092
  385    HE1  PHE 799           HE2      PHE 799  -0.882 -18.123  -1.513
  386    HE2  PHE 799           HE1      PHE 799  -3.671 -15.098  -0.250
  387    HZ   PHE 799           HZ       PHE 799  -2.354 -16.197  -2.052
  388    H    LYS 800           H        LYS 800  -1.633 -15.973   5.702
  389    HA   LYS 800           HA       LYS 800  -0.917 -17.964   7.815
  390    HB2  LYS 800           HB2      LYS 800   0.457 -15.923   7.947
  391    HB3  LYS 800           HB3      LYS 800  -0.988 -14.915   7.935
  392    HG2  LYS 800           HG2      LYS 800  -1.726 -15.853  10.060
  393    HG3  LYS 800           HG3      LYS 800  -0.341 -16.957  10.109
  394    HD2  LYS 800           HD2      LYS 800   1.155 -14.931  10.172
  395    HD3  LYS 800           HD3      LYS 800  -0.283 -13.906  10.268
  396    HE2  LYS 800           HE2      LYS 800   0.543 -16.059  12.268
  397    HE3  LYS 800           HE3      LYS 800   0.709 -14.318  12.493
  398    HZ1  LYS 800           HZ1      LYS 800  -1.876 -15.771  12.231
  399    HZ2  LYS 800           HZ2      LYS 800  -1.726 -14.147  12.384
  400    HZ3  LYS 800           HZ3      LYS 800  -1.265 -15.118  13.604
  401    H    CYS 801           H        CYS 801  -2.400 -18.522   9.271
  402    HA   CYS 801           HA       CYS 801  -5.221 -17.597   9.049
  403    HB2  CYS 801           HB2      CYS 801  -4.606 -20.042   8.927
  404    HB3  CYS 801           HB3      CYS 801  -3.900 -19.907  10.541
  405    HA   PRO 802           HA       PRO 802  -4.675 -15.082  12.720
  406    HB2  PRO 802           HB2      PRO 802  -7.124 -15.482  14.055
  407    HB3  PRO 802           HB3      PRO 802  -6.788 -14.311  12.747
  408    HG2  PRO 802           HG2      PRO 802  -7.966 -17.089  12.520
  409    HG3  PRO 802           HG3      PRO 802  -8.515 -15.577  11.723
  410    HD2  PRO 802           HD2      PRO 802  -7.038 -17.305  10.346
  411    HD3  PRO 802           HD3      PRO 802  -6.638 -15.574  10.252
  412    H    CYS 803           H        CYS 803  -5.406 -18.553  13.229
  413    HA   CYS 803           HA       CYS 803  -4.688 -18.489  16.041
  414    HB2  CYS 803           HB2      CYS 803  -4.935 -20.851  15.975
  415    HB3  CYS 803           HB3      CYS 803  -6.254 -20.146  15.045
  416    H    GLY 804           H        GLY 804  -2.816 -18.344  13.207
  417    HA2  GLY 804           HA2      GLY 804  -0.449 -17.885  13.350
  418    HA3  GLY 804           HA3      GLY 804  -0.279 -19.098  14.625
  419    H    ASN 805           H        ASN 805  -2.239 -20.768  12.689
  420    HA   ASN 805           HA       ASN 805  -0.194 -22.342  11.477
  421    HB2  ASN 805           HB2      ASN 805  -2.531 -23.082  12.089
  422    HB3  ASN 805           HB3      ASN 805  -3.124 -22.179  10.686
  423   HD21  ASN 805          HD21      ASN 805  -4.000 -24.220   9.877
  424   HD22  ASN 805          HD22      ASN 805  -2.877 -25.340   9.072
  425    H    ARG 806           H        ARG 806   0.251 -22.723   9.201
  426    HA   ARG 806           HA       ARG 806   0.021 -20.291   7.456
  427    HB2  ARG 806           HB2      ARG 806   2.495 -22.005   7.943
  428    HB3  ARG 806           HB3      ARG 806   2.376 -20.712   6.760
  429    HG2  ARG 806           HG2      ARG 806   2.225 -20.353   9.781
  430    HG3  ARG 806           HG3      ARG 806   3.599 -19.990   8.730
  431    HD2  ARG 806           HD2      ARG 806   1.810 -18.459   7.477
  432    HD3  ARG 806           HD3      ARG 806   0.978 -18.529   9.027
  433    HE   ARG 806           HE       ARG 806   3.334 -17.018   8.335
  434   HH11  ARG 806          HH11      ARG 806   1.957 -18.632  11.197
  435   HH12  ARG 806          HH12      ARG 806   2.883 -17.632  12.276
  436   HH21  ARG 806          HH21      ARG 806   4.438 -15.768   9.801
  437   HH22  ARG 806          HH22      ARG 806   4.235 -16.041  11.508
  438    H    THR 807           H        THR 807   0.352 -20.635   5.207
  439    HA   THR 807           HA       THR 807   0.803 -23.226   4.048
  440    HB   THR 807           HB       THR 807  -1.653 -23.370   4.605
  441    HG1  THR 807           HG1      THR 807  -2.029 -24.352   2.617
  442   HG21  THR 807          HG21      THR 807  -3.261 -22.315   3.130
  443   HG22  THR 807          HG22      THR 807  -1.976 -21.434   2.271
  444   HG23  THR 807          HG23      THR 807  -2.343 -21.066   3.965
  445    H    ILE 808           H        ILE 808   0.294 -22.949   1.516
  446    HA   ILE 808           HA       ILE 808   1.395 -20.363   0.530
  447    HB   ILE 808           HB       ILE 808   2.748 -22.990  -0.191
  448   HG12  ILE 808          HG12      ILE 808   3.645 -21.027   1.958
  449   HG13  ILE 808          HG13      ILE 808   3.195 -22.722   2.178
  450   HG21  ILE 808          HG21      ILE 808   4.489 -21.550  -1.133
  451   HG22  ILE 808          HG22      ILE 808   2.956 -21.046  -1.793
  452   HG23  ILE 808          HG23      ILE 808   3.707 -20.102  -0.481
  453   HD11  ILE 808          HD11      ILE 808   5.688 -21.696   0.779
  454   HD12  ILE 808          HD12      ILE 808   5.565 -22.593   2.295
  455   HD13  ILE 808          HD13      ILE 808   5.151 -23.400   0.773
  456    H    SER 809           H        SER 809   0.881 -19.990  -1.678
  457    HA   SER 809           HA       SER 809  -0.287 -22.222  -3.255
  458    HB2  SER 809           HB2      SER 809  -2.219 -21.075  -2.154
  459    HB3  SER 809           HB3      SER 809  -1.766 -19.580  -2.990
  460    HG   SER 809           HG       SER 809  -3.388 -20.955  -4.082
  461    H    LEU 810           H        LEU 810  -0.308 -21.770  -5.556
  462    HA   LEU 810           HA       LEU 810   1.577 -19.664  -6.505
  463    HB2  LEU 810           HB2      LEU 810   0.068 -21.880  -7.974
  464    HB3  LEU 810           HB3      LEU 810   1.133 -20.705  -8.739
  465    HG   LEU 810           HG       LEU 810   1.988 -22.850  -6.742
  466   HD11  LEU 810          HD11      LEU 810   3.181 -23.792  -8.641
  467   HD12  LEU 810          HD12      LEU 810   2.571 -22.497  -9.701
  468   HD13  LEU 810          HD13      LEU 810   1.444 -23.672  -8.984
  469   HD21  LEU 810          HD21      LEU 810   3.691 -20.768  -8.199
  470   HD22  LEU 810          HD22      LEU 810   4.306 -22.123  -7.246
  471   HD23  LEU 810          HD23      LEU 810   3.407 -20.837  -6.444
  472    H    ASP 811           H        ASP 811  -1.754 -20.010  -5.846
  473    HA   ASP 811           HA       ASP 811  -2.559 -17.800  -7.698
  474    HB2  ASP 811           HB2      ASP 811  -3.804 -20.042  -7.608
  475    HB3  ASP 811           HB3      ASP 811  -4.345 -19.569  -6.005
  476    H    ARG 812           H        ARG 812  -4.162 -16.323  -6.785
  477    HA   ARG 812           HA       ARG 812  -3.108 -14.707  -4.725
  478    HB2  ARG 812           HB2      ARG 812  -5.113 -13.364  -5.081
  479    HB3  ARG 812           HB3      ARG 812  -4.438 -13.917  -6.620
  480    HG2  ARG 812           HG2      ARG 812  -6.168 -15.779  -6.614
  481    HG3  ARG 812           HG3      ARG 812  -6.875 -15.059  -5.174
  482    HD2  ARG 812           HD2      ARG 812  -7.226 -12.942  -6.471
  483    HD3  ARG 812           HD3      ARG 812  -6.551 -13.716  -7.895
  484    HE   ARG 812           HE       ARG 812  -9.228 -13.952  -6.867
  485   HH11  ARG 812          HH11      ARG 812  -6.847 -16.017  -8.540
  486   HH12  ARG 812          HH12      ARG 812  -8.094 -16.892  -9.358
  487   HH21  ARG 812          HH21      ARG 812 -10.742 -15.193  -7.918
  488   HH22  ARG 812          HH22      ARG 812 -10.250 -16.440  -9.022
  489    H    LEU 813           H        LEU 813  -5.041 -17.515  -4.281
  490    HA   LEU 813           HA       LEU 813  -5.132 -17.144  -1.415
  491    HB2  LEU 813           HB2      LEU 813  -7.206 -15.900  -2.371
  492    HB3  LEU 813           HB3      LEU 813  -7.796 -17.488  -2.838
  493    HG   LEU 813           HG       LEU 813  -7.654 -18.156  -0.379
  494   HD11  LEU 813          HD11      LEU 813  -6.098 -16.340   0.396
  495   HD12  LEU 813          HD12      LEU 813  -7.621 -16.342   1.294
  496   HD13  LEU 813          HD13      LEU 813  -7.344 -15.137   0.020
  497   HD21  LEU 813          HD21      LEU 813  -9.492 -15.846  -1.151
  498   HD22  LEU 813          HD22      LEU 813  -9.750 -16.962   0.206
  499   HD23  LEU 813          HD23      LEU 813  -9.783 -17.576  -1.450
  500    HA   PRO 814           HA       PRO 814  -5.031 -21.659  -2.094
  501    HB2  PRO 814           HB2      PRO 814  -5.012 -22.556   0.470
  502    HB3  PRO 814           HB3      PRO 814  -3.601 -21.708  -0.243
  503    HG2  PRO 814           HG2      PRO 814  -5.829 -20.521   1.453
  504    HG3  PRO 814           HG3      PRO 814  -4.067 -20.353   1.706
  505    HD2  PRO 814           HD2      PRO 814  -5.486 -18.462   0.421
  506    HD3  PRO 814           HD3      PRO 814  -3.850 -18.900  -0.138
  507    H    LYS 815           H        LYS 815  -6.485 -23.473  -1.887
  508    HA   LYS 815           HA       LYS 815  -9.313 -22.697  -1.548
  509    HB2  LYS 815           HB2      LYS 815  -9.785 -24.749  -2.658
  510    HB3  LYS 815           HB3      LYS 815  -8.422 -24.018  -3.495
  511    HG2  LYS 815           HG2      LYS 815  -6.886 -25.550  -2.126
  512    HG3  LYS 815           HG3      LYS 815  -8.335 -26.365  -1.516
  513    HD2  LYS 815           HD2      LYS 815  -7.459 -26.187  -4.411
  514    HD3  LYS 815           HD3      LYS 815  -7.297 -27.582  -3.327
  515    HE2  LYS 815           HE2      LYS 815  -9.780 -27.678  -3.081
  516    HE3  LYS 815           HE3      LYS 815  -9.933 -26.315  -4.204
  517    HZ1  LYS 815           HZ1      LYS 815  -8.754 -28.948  -4.897
  518    HZ2  LYS 815           HZ2      LYS 815  -8.914 -27.679  -5.921
  519    HZ3  LYS 815           HZ3      LYS 815 -10.242 -28.426  -5.340
  520    H    LYS 816           H        LYS 816  -6.928 -24.463   0.285
  521    HA   LYS 816           HA       LYS 816  -8.786 -26.289   1.503
  522    HB2  LYS 816           HB2      LYS 816  -6.830 -27.259   2.541
  523    HB3  LYS 816           HB3      LYS 816  -6.572 -26.946   0.846
  524    HG2  LYS 816           HG2      LYS 816  -4.553 -26.243   1.621
  525    HG3  LYS 816           HG3      LYS 816  -5.395 -24.709   1.689
  526    HD2  LYS 816           HD2      LYS 816  -4.131 -24.959   3.703
  527    HD3  LYS 816           HD3      LYS 816  -5.823 -25.154   4.140
  528    HE2  LYS 816           HE2      LYS 816  -5.413 -27.710   3.934
  529    HE3  LYS 816           HE3      LYS 816  -3.695 -27.315   3.810
  530    HZ1  LYS 816           HZ1      LYS 816  -4.343 -27.791   6.108
  531    HZ2  LYS 816           HZ2      LYS 816  -5.506 -26.646   6.057
  532    HZ3  LYS 816           HZ3      LYS 816  -3.911 -26.221   6.000
  533    H    HIS 817           H        HIS 817  -9.348 -26.554   3.727
  534    HA   HIS 817           HA       HIS 817  -9.482 -24.058   5.335
  535    HB2  HIS 817           HB2      HIS 817 -10.686 -26.828   5.631
  536    HB3  HIS 817           HB3      HIS 817 -10.775 -25.590   6.875
  537    HD1  HIS 817           HD1      HIS 817 -11.429 -24.947   3.069
  538    HD2  HIS 817           HD2      HIS 817 -13.272 -24.977   6.850
  539    HE1  HIS 817           HE1      HIS 817 -13.757 -23.992   2.727
  540    H    CYS 818           H        CYS 818  -8.888 -24.099   7.617
  541    HA   CYS 818           HA       CYS 818  -6.134 -24.625   7.932
  542    HB2  CYS 818           HB2      CYS 818  -7.426 -22.841   8.997
  543    HB3  CYS 818           HB3      CYS 818  -8.296 -24.016   9.981
  544    H    SER 819           H        SER 819  -4.954 -26.134   8.932
  545    HA   SER 819           HA       SER 819  -6.082 -28.782   9.553
  546    HB2  SER 819           HB2      SER 819  -3.229 -27.772   9.878
  547    HB3  SER 819           HB3      SER 819  -3.775 -29.453   9.862
  548    HG   SER 819           HG       SER 819  -2.934 -28.905   7.843
  549    H    THR 820           H        THR 820  -5.394 -25.902  11.340
  550    HA   THR 820           HA       THR 820  -4.832 -27.346  13.890
  551    HB   THR 820           HB       THR 820  -4.429 -24.446  13.058
  552    HG1  THR 820           HG1      THR 820  -2.593 -26.593  13.461
  553   HG21  THR 820          HG21      THR 820  -4.650 -24.539  15.487
  554   HG22  THR 820          HG22      THR 820  -2.950 -24.327  15.051
  555   HG23  THR 820          HG23      THR 820  -3.536 -25.928  15.571
  556    H    CYS 821           H        CYS 821  -7.135 -24.957  12.527
  557    HA   CYS 821           HA       CYS 821  -8.846 -25.414  14.931
  558    HB2  CYS 821           HB2      CYS 821  -9.434 -23.135  15.037
  559    HB3  CYS 821           HB3      CYS 821  -7.674 -23.260  15.118
  560    H    GLY 822           H        GLY 822  -8.775 -25.402  11.509
  561    HA2  GLY 822           HA2      GLY 822 -10.262 -26.742  10.302
  562    HA3  GLY 822           HA3      GLY 822 -11.474 -26.578  11.575
  563    H    LEU 823           H        LEU 823 -10.754 -23.446  11.016
  564    HA   LEU 823           HA       LEU 823 -13.018 -23.145   9.126
  565    HB2  LEU 823           HB2      LEU 823 -13.029 -20.801   9.888
  566    HB3  LEU 823           HB3      LEU 823 -13.245 -21.979  11.153
  567    HG   LEU 823           HG       LEU 823 -11.044 -21.614  12.039
  568   HD11  LEU 823          HD11      LEU 823  -9.576 -19.771  11.153
  569   HD12  LEU 823          HD12      LEU 823 -10.581 -19.716   9.699
  570   HD13  LEU 823          HD13      LEU 823  -9.656 -21.178  10.088
  571   HD21  LEU 823          HD21      LEU 823 -12.445 -18.973  11.439
  572   HD22  LEU 823          HD22      LEU 823 -11.310 -19.279  12.767
  573   HD23  LEU 823          HD23      LEU 823 -12.869 -20.113  12.734
  574    H    PHE 824           H        PHE 824 -12.606 -20.755   7.959
  575    HA   PHE 824           HA       PHE 824 -10.162 -20.992   6.264
  576    HB2  PHE 824           HB2      PHE 824 -12.101 -22.112   5.188
  577    HB3  PHE 824           HB3      PHE 824 -13.021 -20.624   5.277
  578    HD1  PHE 824           HD2      PHE 824 -10.118 -22.330   3.720
  579    HD2  PHE 824           HD1      PHE 824 -12.624 -18.832   3.659
  580    HE1  PHE 824           HE2      PHE 824  -9.157 -21.681   1.521
  581    HE2  PHE 824           HE1      PHE 824 -11.662 -18.176   1.466
  582    HZ   PHE 824           HZ       PHE 824  -9.921 -19.606   0.392
  583    H    LYS 825           H        LYS 825  -9.187 -19.249   7.216
  584    HA   LYS 825           HA       LYS 825 -10.317 -16.539   6.721
  585    HB2  LYS 825           HB2      LYS 825  -9.338 -17.599   9.415
  586    HB3  LYS 825           HB3      LYS 825  -9.552 -15.892   9.075
  587    HG2  LYS 825           HG2      LYS 825 -11.814 -17.926   9.021
  588    HG3  LYS 825           HG3      LYS 825 -11.393 -16.860  10.363
  589    HD2  LYS 825           HD2      LYS 825 -11.833 -14.876   8.959
  590    HD3  LYS 825           HD3      LYS 825 -12.282 -15.922   7.597
  591    HE2  LYS 825           HE2      LYS 825 -14.091 -16.938   8.954
  592    HE3  LYS 825           HE3      LYS 825 -13.660 -15.890  10.312
  593    HZ1  LYS 825           HZ1      LYS 825 -14.228 -13.974   8.939
  594    HZ2  LYS 825           HZ2      LYS 825 -15.508 -14.985   9.048
  595    HZ3  LYS 825           HZ3      LYS 825 -14.619 -14.937   7.675
  596    H    TRP 826           H        TRP 826  -8.280 -17.985   5.301
  597    HA   TRP 826           HA       TRP 826  -5.640 -17.277   6.037
  598    HB2  TRP 826           HB2      TRP 826  -6.858 -17.791   3.301
  599    HB3  TRP 826           HB3      TRP 826  -5.130 -17.683   3.619
  600    HD1  TRP 826           HD1      TRP 826  -7.759 -20.128   3.298
  601    HE1  TRP 826           HE1      TRP 826  -7.071 -22.425   4.171
  602    HE3  TRP 826           HE3      TRP 826  -3.586 -18.751   5.893
  603    HZ2  TRP 826           HZ2      TRP 826  -5.066 -23.500   5.988
  604    HZ3  TRP 826           HZ3      TRP 826  -2.313 -20.426   7.215
  605    HH2  TRP 826           HH2      TRP 826  -3.050 -22.804   7.287
  606    H    GLU 827           H        GLU 827  -4.422 -15.535   5.876
  607    HA   GLU 827           HA       GLU 827  -5.257 -13.183   4.220
  608    HB2  GLU 827           HB2      GLU 827  -5.321 -12.808   6.680
  609    HB3  GLU 827           HB3      GLU 827  -3.649 -13.332   6.809
  610    HG2  GLU 827           HG2      GLU 827  -3.652 -10.937   6.882
  611    HG3  GLU 827           HG3      GLU 827  -2.958 -11.402   5.347
  612    H    ARG 828           H        ARG 828  -3.729 -12.482   2.734
  613    HA   ARG 828           HA       ARG 828  -1.425 -14.117   2.138
  614    HB2  ARG 828           HB2      ARG 828  -2.662 -12.951   0.391
  615    HB3  ARG 828           HB3      ARG 828  -2.227 -11.381   1.101
  616    HG2  ARG 828           HG2      ARG 828   0.137 -11.770   0.642
  617    HG3  ARG 828           HG3      ARG 828  -0.196 -13.400   0.036
  618    HD2  ARG 828           HD2      ARG 828  -1.315 -12.591  -1.885
  619    HD3  ARG 828           HD3      ARG 828  -1.536 -10.977  -1.214
  620    HE   ARG 828           HE       ARG 828   0.823 -11.993  -2.607
  621   HH11  ARG 828          HH11      ARG 828  -0.220  -9.471  -0.329
  622   HH12  ARG 828          HH12      ARG 828   1.127  -8.455  -0.747
  623   HH21  ARG 828          HH21      ARG 828   2.434 -10.684  -3.081
  624   HH22  ARG 828          HH22      ARG 828   2.628  -9.119  -2.306
  625    H    VAL 829           H        VAL 829   0.597 -13.952   2.770
  626    HA   VAL 829           HA       VAL 829   1.646 -11.512   4.120
  627    HB   VAL 829           HB       VAL 829   2.889 -12.857   5.755
  628   HG11  VAL 829          HG11      VAL 829   0.754 -11.781   6.392
  629   HG12  VAL 829          HG12      VAL 829  -0.118 -13.270   5.993
  630   HG13  VAL 829          HG13      VAL 829   1.061 -13.263   7.307
  631   HG21  VAL 829          HG21      VAL 829   2.910 -15.061   4.629
  632   HG22  VAL 829          HG22      VAL 829   2.287 -15.171   6.275
  633   HG23  VAL 829          HG23      VAL 829   1.164 -15.211   4.911
  634    H    GLY 830           H        GLY 830   4.131 -11.707   4.297
  635    HA2  GLY 830           HA2      GLY 830   5.162 -12.474   1.595
  636    HA3  GLY 830           HA3      GLY 830   5.858 -11.286   2.713
  637    H    MET 831           H        MET 831   7.235 -13.307   1.301
  638    HA   MET 831           HA       MET 831   8.964 -13.933   3.391
  639    HB2  MET 831           HB2      MET 831   7.473 -15.874   3.801
  640    HB3  MET 831           HB3      MET 831   7.802 -16.453   2.180
  641    HG2  MET 831           HG2      MET 831  10.145 -16.771   2.692
  642    HG3  MET 831           HG3      MET 831   9.899 -16.108   4.318
  643    HE1  MET 831           HE1      MET 831  10.697 -19.902   4.834
  644    HE2  MET 831           HE2      MET 831  11.285 -18.914   3.485
  645    HE3  MET 831           HE3      MET 831  11.221 -18.233   5.126
  646    H    LEU 832           H        LEU 832  11.043 -14.443   2.810
  647    HA   LEU 832           HA       LEU 832  11.828 -14.419  -0.024
  648    HB2  LEU 832           HB2      LEU 832  12.965 -12.236   0.161
  649    HB3  LEU 832           HB3      LEU 832  11.238 -12.227   0.045
  650    HG   LEU 832           HG       LEU 832  12.143 -10.461   1.443
  651   HD11  LEU 832          HD11      LEU 832  10.419 -10.407   3.007
  652   HD12  LEU 832          HD12      LEU 832  10.394 -12.154   3.235
  653   HD13  LEU 832          HD13      LEU 832   9.776 -11.446   1.730
  654   HD21  LEU 832          HD21      LEU 832  12.873 -12.617   3.463
  655   HD22  LEU 832          HD22      LEU 832  12.881 -10.867   3.749
  656   HD23  LEU 832          HD23      LEU 832  14.000 -11.559   2.564
  657    H    LYS 833           H        LYS 833  14.405 -13.095   1.188
  658    HA   LYS 833           HA       LYS 833  15.794 -15.572   1.075
  659    HB2  LYS 833           HB2      LYS 833  16.815 -12.838   1.952
  660    HB3  LYS 833           HB3      LYS 833  17.827 -14.172   1.431
  661    HG2  LYS 833           HG2      LYS 833  15.881 -12.561  -0.283
  662    HG3  LYS 833           HG3      LYS 833  17.639 -12.552  -0.354
  663    HD2  LYS 833           HD2      LYS 833  15.801 -14.841  -1.164
  664    HD3  LYS 833           HD3      LYS 833  16.744 -13.793  -2.223
  665    HE2  LYS 833           HE2      LYS 833  18.858 -14.652  -1.158
  666    HE3  LYS 833           HE3      LYS 833  17.873 -15.760  -0.186
  667    HZ1  LYS 833           HZ1      LYS 833  17.121 -16.787  -2.264
  668    HZ2  LYS 833           HZ2      LYS 833  18.747 -16.836  -2.176
  669    HZ3  LYS 833           HZ3      LYS 833  18.023 -15.749  -3.155
  670    H    GLU 834           H        GLU 834  14.212 -14.613   3.704
  671    HA   GLU 834           HA       GLU 834  16.126 -15.499   5.773
  672    HB2  GLU 834           HB2      GLU 834  14.446 -14.971   7.399
  673    HB3  GLU 834           HB3      GLU 834  14.632 -13.631   6.280
  674    HG2  GLU 834           HG2      GLU 834  12.538 -14.387   5.084
  675    HG3  GLU 834           HG3      GLU 834  12.362 -15.683   6.269
  676    H    LYS 835           H        LYS 835  15.872 -17.300   7.075
  677    HA   LYS 835           HA       LYS 835  15.526 -19.435   7.682
  678    HB2  LYS 835           HB2      LYS 835  12.726 -18.722   6.749
  679    HB3  LYS 835           HB3      LYS 835  13.084 -20.228   7.558
  680    HG2  LYS 835           HG2      LYS 835  13.615 -17.461   8.733
  681    HG3  LYS 835           HG3      LYS 835  12.182 -18.434   9.049
  682    HD2  LYS 835           HD2      LYS 835  15.038 -19.179   9.822
  683    HD3  LYS 835           HD3      LYS 835  13.782 -18.562  10.882
  684    HE2  LYS 835           HE2      LYS 835  12.377 -20.574  10.346
  685    HE3  LYS 835           HE3      LYS 835  13.708 -21.205   9.366
  686    HZ1  LYS 835           HZ1      LYS 835  13.760 -22.159  11.572
  687    HZ2  LYS 835           HZ2      LYS 835  13.852 -20.685  12.279
  688    HZ3  LYS 835           HZ3      LYS 835  15.088 -21.229  11.369
  689    H    THR 836           H        THR 836  13.731 -19.343   4.670
  690    HA   THR 836           HA       THR 836  13.520 -20.622   2.841
  691    HB   THR 836           HB       THR 836  15.272 -21.783   1.816
  692    HG1  THR 836           HG1      THR 836  16.615 -21.680   4.306
  693   HG21  THR 836          HG21      THR 836  15.472 -19.308   1.851
  694   HG22  THR 836          HG22      THR 836  17.036 -20.124   1.734
  695   HG23  THR 836          HG23      THR 836  16.523 -19.420   3.284
  696    H    GLY 837           H        GLY 837  14.673 -22.584   5.536
  697    HA2  GLY 837           HA2      GLY 837  12.289 -24.372   5.214
  698    HA3  GLY 837           HA3      GLY 837  13.877 -25.036   5.619
  699    HA   PRO 838           HA       PRO 838  11.624 -23.644   9.530
  700    HB2  PRO 838           HB2      PRO 838  11.114 -26.059  10.716
  701    HB3  PRO 838           HB3      PRO 838  10.044 -25.344   9.469
  702    HG2  PRO 838           HG2      PRO 838  12.221 -27.424   9.062
  703    HG3  PRO 838           HG3      PRO 838  10.524 -27.464   8.489
  704    HD2  PRO 838           HD2      PRO 838  12.570 -26.612   6.883
  705    HD3  PRO 838           HD3      PRO 838  10.954 -25.852   6.809
  706    H    LYS 839           H        LYS 839  14.263 -25.833   8.838
  707    HA   LYS 839           HA       LYS 839  15.845 -24.780  11.086
  708    HB2  LYS 839           HB2      LYS 839  16.436 -26.959  11.965
  709    HB3  LYS 839           HB3      LYS 839  14.698 -26.754  12.032
  710    HG2  LYS 839           HG2      LYS 839  14.486 -28.164   9.949
  711    HG3  LYS 839           HG3      LYS 839  16.234 -28.356   9.923
  712    HD2  LYS 839           HD2      LYS 839  15.261 -30.334  10.875
  713    HD3  LYS 839           HD3      LYS 839  16.125 -29.472  12.156
  714    HE2  LYS 839           HE2      LYS 839  13.956 -28.552  12.976
  715    HE3  LYS 839           HE3      LYS 839  13.105 -29.345  11.653
  716    HZ1  LYS 839           HZ1      LYS 839  12.969 -30.648  13.676
  717    HZ2  LYS 839           HZ2      LYS 839  14.598 -30.753  13.788
  718    HZ3  LYS 839           HZ3      LYS 839  13.818 -31.486  12.558
  719    H    LEU 840           H        LEU 840  18.126 -25.351  10.945
  720    HA   LEU 840           HA       LEU 840  19.096 -25.266   8.152
  721    HB2  LEU 840           HB2      LEU 840  19.726 -23.586   9.855
  722    HB3  LEU 840           HB3      LEU 840  20.510 -24.827  10.820
  723    HG   LEU 840           HG       LEU 840  21.400 -24.547   7.956
  724   HD11  LEU 840          HD11      LEU 840  21.194 -22.191   8.638
  725   HD12  LEU 840          HD12      LEU 840  22.892 -22.659   8.485
  726   HD13  LEU 840          HD13      LEU 840  22.154 -22.514  10.098
  727   HD21  LEU 840          HD21      LEU 840  23.632 -24.957   8.919
  728   HD22  LEU 840          HD22      LEU 840  22.505 -26.196   9.491
  729   HD23  LEU 840          HD23      LEU 840  22.965 -24.868  10.565
  730    H    GLY 841           H        GLY 841  20.544 -26.672   7.250
  731    HA2  GLY 841           HA2      GLY 841  21.955 -28.538   7.032
  732    HA3  GLY 841           HA3      GLY 841  21.567 -29.046   8.684
  733    H    GLY 842           H        GLY 842  21.708 -31.029   7.114
  734    HA2  GLY 842           HA2      GLY 842  19.190 -32.350   6.980
  735    HA3  GLY 842           HA3      GLY 842  19.595 -31.771   5.363
  Start of MODEL   12
    1    H1   GLY  -4           H1       GLY  -4  23.924 -15.663  -8.309
    2    H2   GLY  -4           H2       GLY  -4  24.051 -14.063  -7.970
    3    H3   GLY  -4           H3       GLY  -4  23.210 -14.565  -9.290
    4    HA2  GLY  -4           HA2      GLY  -4  21.570 -15.663  -7.894
    5    HA3  GLY  -4           HA3      GLY  -4  22.474 -15.098  -6.490
    6    HA   PRO  -3           HA       PRO  -3  19.122 -11.970  -7.136
    7    HB2  PRO  -3           HB2      PRO  -3  19.742 -11.640  -4.198
    8    HB3  PRO  -3           HB3      PRO  -3  18.156 -11.644  -5.022
    9    HG2  PRO  -3           HG2      PRO  -3  18.991 -13.845  -3.668
   10    HG3  PRO  -3           HG3      PRO  -3  18.221 -14.035  -5.274
   11    HD2  PRO  -3           HD2      PRO  -3  21.181 -14.030  -4.616
   12    HD3  PRO  -3           HD3      PRO  -3  20.250 -15.166  -5.638
   13    H    MET  -2           H        MET  -2  19.083  -9.599  -6.654
   14    HA   MET  -2           HA       MET  -2  21.595  -8.225  -6.030
   15    HB2  MET  -2           HB2      MET  -2  21.840  -7.131  -8.201
   16    HB3  MET  -2           HB3      MET  -2  22.015  -8.872  -8.361
   17    HG2  MET  -2           HG2      MET  -2  19.694  -9.063  -9.171
   18    HG3  MET  -2           HG3      MET  -2  19.448  -7.338  -9.002
   19    HE1  MET  -2           HE1      MET  -2  21.999  -5.917 -10.180
   20    HE2  MET  -2           HE2      MET  -2  21.527  -5.793 -11.876
   21    HE3  MET  -2           HE3      MET  -2  20.319  -5.537 -10.603
   22    H    GLY  -1           H        GLY  -1  21.421  -5.885  -6.116
   23    HA2  GLY  -1           HA2      GLY  -1  20.285  -3.836  -5.982
   24    HA3  GLY  -1           HA3      GLY  -1  18.724  -4.654  -6.110
   25    H    MET 755           H        MET 755  19.143  -2.616  -4.350
   26    HA   MET 755           HA       MET 755  19.677  -3.653  -1.651
   27    HB2  MET 755           HB2      MET 755  19.426  -1.291  -0.964
   28    HB3  MET 755           HB3      MET 755  20.615  -1.549  -2.218
   29    HG2  MET 755           HG2      MET 755  19.457   0.461  -2.696
   30    HG3  MET 755           HG3      MET 755  19.031  -0.701  -3.933
   31    HE1  MET 755           HE1      MET 755  17.121   0.819  -4.793
   32    HE2  MET 755           HE2      MET 755  15.837   1.508  -3.778
   33    HE3  MET 755           HE3      MET 755  17.515   2.040  -3.562
   34    H    GLN 756           H        GLN 756  16.998  -3.974  -3.476
   35    HA   GLN 756           HA       GLN 756  15.203  -4.296  -1.178
   36    HB2  GLN 756           HB2      GLN 756  14.940  -1.926  -1.871
   37    HB3  GLN 756           HB3      GLN 756  14.557  -2.439  -3.524
   38    HG2  GLN 756           HG2      GLN 756  12.498  -3.522  -2.733
   39    HG3  GLN 756           HG3      GLN 756  12.914  -3.162  -1.051
   40   HE21  GLN 756          HE21      GLN 756  11.269  -1.915  -3.868
   41   HE22  GLN 756          HE22      GLN 756  11.052  -0.289  -3.237
   42    H    SER 757           H        SER 757  13.544  -5.788  -1.574
   43    HA   SER 757           HA       SER 757  12.992  -6.854  -4.215
   44    HB2  SER 757           HB2      SER 757  13.582  -9.183  -3.664
   45    HB3  SER 757           HB3      SER 757  15.002  -8.145  -3.770
   46    HG   SER 757           HG       SER 757  15.086  -8.065  -1.490
   47    H    ILE 758           H        ILE 758  11.256  -8.522  -4.132
   48    HA   ILE 758           HA       ILE 758   9.246  -7.676  -2.127
   49    HB   ILE 758           HB       ILE 758   8.784  -9.538  -4.481
   50   HG12  ILE 758          HG12      ILE 758   9.794  -7.599  -5.515
   51   HG13  ILE 758          HG13      ILE 758   8.081  -7.637  -5.848
   52   HG21  ILE 758          HG21      ILE 758   6.951  -7.646  -2.936
   53   HG22  ILE 758          HG22      ILE 758   6.479  -8.583  -4.370
   54   HG23  ILE 758          HG23      ILE 758   6.929  -9.411  -2.882
   55   HD11  ILE 758          HD11      ILE 758   8.857  -5.356  -5.398
   56   HD12  ILE 758          HD12      ILE 758   7.687  -5.848  -4.158
   57   HD13  ILE 758          HD13      ILE 758   9.428  -5.819  -3.787
   58    H    ARG 759           H        ARG 759   8.033  -9.131  -0.883
   59    HA   ARG 759           HA       ARG 759   9.542 -11.295   0.283
   60    HB2  ARG 759           HB2      ARG 759   7.859 -11.257   1.995
   61    HB3  ARG 759           HB3      ARG 759   8.404  -9.629   1.591
   62    HG2  ARG 759           HG2      ARG 759   6.306  -9.480   0.033
   63    HG3  ARG 759           HG3      ARG 759   5.725 -10.900   0.897
   64    HD2  ARG 759           HD2      ARG 759   6.223  -9.568   3.050
   65    HD3  ARG 759           HD3      ARG 759   6.388  -8.158   2.009
   66    HE   ARG 759           HE       ARG 759   3.945  -9.528   2.815
   67   HH11  ARG 759          HH21      ARG 759   5.212  -7.378   0.301
   68   HH12  ARG 759          HH22      ARG 759   3.627  -6.832  -0.148
   69   HH21  ARG 759          HH11      ARG 759   1.948  -8.771   2.203
   70   HH22  ARG 759          HH12      ARG 759   1.811  -7.596   0.925
   71    H    GLU 760           H        GLU 760   9.046 -12.016  -2.199
   72    HA   GLU 760           HA       GLU 760   7.973 -14.672  -2.076
   73    HB2  GLU 760           HB2      GLU 760   6.472 -14.327  -4.121
   74    HB3  GLU 760           HB3      GLU 760   5.834 -13.843  -2.552
   75    HG2  GLU 760           HG2      GLU 760   6.187 -11.515  -2.997
   76    HG3  GLU 760           HG3      GLU 760   7.169 -11.860  -4.428
   77    H    GLN 761           H        GLN 761   8.759 -15.951  -3.831
   78    HA   GLN 761           HA       GLN 761  11.023 -14.640  -5.276
   79    HB2  GLN 761           HB2      GLN 761  12.447 -16.475  -4.629
   80    HB3  GLN 761           HB3      GLN 761  11.762 -15.698  -3.199
   81    HG2  GLN 761           HG2      GLN 761  10.009 -17.612  -3.198
   82    HG3  GLN 761           HG3      GLN 761  11.025 -18.393  -4.410
   83   HE21  GLN 761          HE21      GLN 761  10.799 -17.436  -0.990
   84   HE22  GLN 761          HE22      GLN 761  12.187 -18.403  -0.492
   85    H    SER 762           H        SER 762  11.449 -15.267  -7.346
   86    HA   SER 762           HA       SER 762   9.545 -16.753  -8.847
   87    HB2  SER 762           HB2      SER 762  12.419 -16.067  -9.569
   88    HB3  SER 762           HB3      SER 762  11.127 -16.540 -10.688
   89    HG   SER 762           HG       SER 762  11.408 -14.252 -10.597
   90    H    CYS 763           H        CYS 763   9.360 -18.819  -9.381
   91    HA   CYS 763           HA       CYS 763  11.421 -20.829  -8.555
   92    HB2  CYS 763           HB2      CYS 763   8.410 -20.786  -7.990
   93    HB3  CYS 763           HB3      CYS 763   9.445 -22.208  -7.751
   94    HG   CYS 763           HG       CYS 763   9.770 -19.207  -6.363
   95    H    ARG 764           H        ARG 764  10.829 -23.030  -9.421
   96    HA   ARG 764           HA       ARG 764   9.655 -22.930 -12.154
   97    HB2  ARG 764           HB2      ARG 764  11.898 -24.154 -11.562
   98    HB3  ARG 764           HB3      ARG 764  10.835 -25.421 -10.932
   99    HG2  ARG 764           HG2      ARG 764   9.666 -25.436 -13.182
  100    HG3  ARG 764           HG3      ARG 764  10.830 -24.238 -13.765
  101    HD2  ARG 764           HD2      ARG 764  11.480 -27.028 -12.761
  102    HD3  ARG 764           HD3      ARG 764  11.342 -26.562 -14.464
  103    HE   ARG 764           HE       ARG 764  13.200 -24.796 -13.612
  104   HH11  ARG 764          HH11      ARG 764  13.104 -28.317 -13.242
  105   HH12  ARG 764          HH12      ARG 764  14.832 -28.444 -13.174
  106   HH21  ARG 764          HH21      ARG 764  15.420 -25.036 -13.507
  107   HH22  ARG 764          HH22      ARG 764  16.122 -26.621 -13.332
  108    H    VAL 765           H        VAL 765   7.826 -24.091 -12.616
  109    HA   VAL 765           HA       VAL 765   6.171 -25.249 -10.413
  110    HB   VAL 765           HB       VAL 765   4.181 -24.102 -11.186
  111   HG11  VAL 765          HG11      VAL 765   6.373 -22.058 -10.624
  112   HG12  VAL 765          HG12      VAL 765   4.637 -21.849 -10.373
  113   HG13  VAL 765          HG13      VAL 765   5.525 -23.028  -9.391
  114   HG21  VAL 765          HG21      VAL 765   5.937 -22.527 -13.100
  115   HG22  VAL 765          HG22      VAL 765   4.736 -23.756 -13.569
  116   HG23  VAL 765          HG23      VAL 765   4.205 -22.256 -12.787
  117    H    VAL 766           H        VAL 766   4.307 -26.477 -11.230
  118    HA   VAL 766           HA       VAL 766   4.868 -27.832 -13.843
  119    HB   VAL 766           HB       VAL 766   5.940 -29.178 -12.184
  120   HG11  VAL 766          HG11      VAL 766   3.368 -29.221 -10.566
  121   HG12  VAL 766          HG12      VAL 766   4.770 -30.240 -10.304
  122   HG13  VAL 766          HG13      VAL 766   4.940 -28.500 -10.110
  123   HG21  VAL 766          HG21      VAL 766   3.301 -30.574 -12.757
  124   HG22  VAL 766          HG22      VAL 766   4.621 -30.379 -13.942
  125   HG23  VAL 766          HG23      VAL 766   4.882 -31.325 -12.471
  126    H    THR 767           H        THR 767   3.152 -28.381 -15.006
  127    HA   THR 767           HA       THR 767   0.401 -28.182 -13.818
  128    HB   THR 767           HB       THR 767   1.240 -28.043 -16.735
  129    HG1  THR 767           HG1      THR 767   0.202 -26.004 -15.058
  130   HG21  THR 767          HG21      THR 767  -1.059 -28.944 -16.443
  131   HG22  THR 767          HG22      THR 767  -1.107 -27.292 -17.088
  132   HG23  THR 767          HG23      THR 767  -1.460 -27.584 -15.374
  133    H    CYS 768           H        CYS 768  -0.359 -30.125 -13.266
  134    HA   CYS 768           HA       CYS 768   0.499 -32.623 -14.579
  135    HB2  CYS 768           HB2      CYS 768   0.007 -32.537 -12.134
  136    HB3  CYS 768           HB3      CYS 768  -1.682 -32.138 -12.508
  137    H    LYS 769           H        LYS 769  -0.335 -33.225 -16.467
  138    HA   LYS 769           HA       LYS 769  -2.647 -31.831 -17.660
  139    HB2  LYS 769           HB2      LYS 769  -0.876 -34.063 -18.725
  140    HB3  LYS 769           HB3      LYS 769  -2.013 -33.114 -19.670
  141    HG2  LYS 769           HG2      LYS 769   0.521 -32.055 -18.328
  142    HG3  LYS 769           HG3      LYS 769   0.308 -32.414 -20.035
  143    HD2  LYS 769           HD2      LYS 769  -1.383 -30.649 -20.249
  144    HD3  LYS 769           HD3      LYS 769  -1.234 -30.265 -18.520
  145    HE2  LYS 769           HE2      LYS 769   1.115 -29.685 -18.791
  146    HE3  LYS 769           HE3      LYS 769   1.078 -30.145 -20.498
  147    HZ1  LYS 769           HZ1      LYS 769  -0.522 -28.369 -20.899
  148    HZ2  LYS 769           HZ2      LYS 769   0.840 -27.749 -20.251
  149    HZ3  LYS 769           HZ3      LYS 769  -0.488 -27.917 -19.325
  150    H    THR 770           H        THR 770  -2.124 -34.718 -15.862
  151    HA   THR 770           HA       THR 770  -4.479 -36.158 -16.853
  152    HB   THR 770           HB       THR 770  -2.725 -36.710 -14.436
  153    HG1  THR 770           HG1      THR 770  -2.597 -37.698 -17.099
  154   HG21  THR 770          HG21      THR 770  -3.462 -39.084 -14.846
  155   HG22  THR 770          HG22      THR 770  -4.627 -38.475 -16.041
  156   HG23  THR 770          HG23      THR 770  -4.782 -38.030 -14.329
  157    H    CYS 771           H        CYS 771  -3.698 -34.199 -13.936
  158    HA   CYS 771           HA       CYS 771  -6.513 -34.462 -13.010
  159    HB2  CYS 771           HB2      CYS 771  -4.052 -33.242 -11.721
  160    HB3  CYS 771           HB3      CYS 771  -5.628 -33.403 -10.957
  161    H    LYS 772           H        LYS 772  -4.530 -32.157 -14.653
  162    HA   LYS 772           HA       LYS 772  -4.931 -30.141 -15.566
  163    HB2  LYS 772           HB2      LYS 772  -7.857 -30.590 -14.845
  164    HB3  LYS 772           HB3      LYS 772  -7.223 -29.336 -15.883
  165    HG2  LYS 772           HG2      LYS 772  -8.079 -30.924 -17.324
  166    HG3  LYS 772           HG3      LYS 772  -6.320 -31.095 -17.437
  167    HD2  LYS 772           HD2      LYS 772  -6.354 -33.165 -16.236
  168    HD3  LYS 772           HD3      LYS 772  -8.011 -32.905 -15.678
  169    HE2  LYS 772           HE2      LYS 772  -7.949 -34.595 -17.425
  170    HE3  LYS 772           HE3      LYS 772  -8.856 -33.187 -17.972
  171    HZ1  LYS 772           HZ1      LYS 772  -6.018 -33.737 -18.665
  172    HZ2  LYS 772           HZ2      LYS 772  -6.929 -32.511 -19.258
  173    HZ3  LYS 772           HZ3      LYS 772  -7.296 -34.052 -19.650
  174    H    TYR 773           H        TYR 773  -3.710 -29.973 -13.234
  175    HA   TYR 773           HA       TYR 773  -4.578 -27.280 -12.333
  176    HB2  TYR 773           HB2      TYR 773  -4.227 -27.676 -10.039
  177    HB3  TYR 773           HB3      TYR 773  -5.310 -28.943 -10.586
  178    HD1  TYR 773           HD1      TYR 773  -1.836 -28.149  -9.491
  179    HD2  TYR 773           HD2      TYR 773  -4.621 -31.278 -10.467
  180    HE1  TYR 773           HE1      TYR 773  -0.249 -29.835  -8.569
  181    HE2  TYR 773           HE2      TYR 773  -3.088 -32.956  -9.437
  182    HH   TYR 773           HH       TYR 773   0.102 -32.025  -8.078
  183    H    THR 774           H        THR 774  -2.879 -25.998 -11.406
  184    HA   THR 774           HA       THR 774  -0.099 -26.814 -12.119
  185    HB   THR 774           HB       THR 774  -1.219 -23.999 -12.152
  186    HG1  THR 774           HG1      THR 774  -1.191 -24.250 -14.374
  187   HG21  THR 774          HG21      THR 774   0.873 -23.462 -13.371
  188   HG22  THR 774          HG22      THR 774   1.434 -25.140 -13.180
  189   HG23  THR 774          HG23      THR 774   1.242 -24.095 -11.766
  190    H    HIS 775           H        HIS 775   1.422 -26.636 -10.573
  191    HA   HIS 775           HA       HIS 775   1.183 -24.935  -8.230
  192    HB2  HIS 775           HB2      HIS 775   0.047 -27.530  -8.033
  193    HB3  HIS 775           HB3      HIS 775   1.578 -27.637  -7.197
  194    HD1  HIS 775           HD1      HIS 775   1.669 -26.397  -4.804
  195    HD2  HIS 775           HD2      HIS 775  -1.795 -25.736  -7.103
  196    HE1  HIS 775           HE1      HIS 775   0.017 -25.198  -3.283
  197    H    PHE 776           H        PHE 776   3.204 -25.603  -6.660
  198    HA   PHE 776           HA       PHE 776   5.511 -25.264  -8.348
  199    HB2  PHE 776           HB2      PHE 776   6.516 -25.707  -5.800
  200    HB3  PHE 776           HB3      PHE 776   6.168 -24.185  -6.562
  201    HD1  PHE 776           HD1      PHE 776   4.134 -22.934  -6.083
  202    HD2  PHE 776           HD2      PHE 776   5.030 -26.601  -4.016
  203    HE1  PHE 776           HE1      PHE 776   2.430 -22.374  -4.351
  204    HE2  PHE 776           HE2      PHE 776   3.332 -26.053  -2.285
  205    HZ   PHE 776           HZ       PHE 776   2.017 -23.946  -2.469
  206    H    LYS 777           H        LYS 777   4.096 -28.178  -7.055
  207    HA   LYS 777           HA       LYS 777   6.219 -29.788  -8.264
  208    HB2  LYS 777           HB2      LYS 777   6.799 -31.006  -6.230
  209    HB3  LYS 777           HB3      LYS 777   7.153 -29.290  -6.057
  210    HG2  LYS 777           HG2      LYS 777   5.010 -29.002  -4.752
  211    HG3  LYS 777           HG3      LYS 777   4.762 -30.759  -4.867
  212    HD2  LYS 777           HD2      LYS 777   6.926 -31.149  -3.754
  213    HD3  LYS 777           HD3      LYS 777   7.171 -29.389  -3.621
  214    HE2  LYS 777           HE2      LYS 777   5.095 -29.210  -2.254
  215    HE3  LYS 777           HE3      LYS 777   4.841 -30.950  -2.410
  216    HZ1  LYS 777           HZ1      LYS 777   5.907 -30.395  -0.309
  217    HZ2  LYS 777           HZ2      LYS 777   7.169 -29.702  -1.078
  218    HZ3  LYS 777           HZ3      LYS 777   6.915 -31.309  -1.211
  219    HA   PRO 778           HA       PRO 778   2.743 -32.598  -8.663
  220    HB2  PRO 778           HB2      PRO 778   3.933 -34.911  -9.458
  221    HB3  PRO 778           HB3      PRO 778   3.938 -33.443 -10.497
  222    HG2  PRO 778           HG2      PRO 778   6.161 -34.468  -8.714
  223    HG3  PRO 778           HG3      PRO 778   6.265 -33.836 -10.387
  224    HD2  PRO 778           HD2      PRO 778   6.755 -32.347  -8.073
  225    HD3  PRO 778           HD3      PRO 778   6.244 -31.642  -9.625
  226    H    LYS 779           H        LYS 779   1.728 -34.377  -7.542
  227    HA   LYS 779           HA       LYS 779   2.647 -34.741  -4.787
  228    HB2  LYS 779           HB2      LYS 779   0.299 -35.870  -6.366
  229    HB3  LYS 779           HB3      LYS 779   0.577 -36.167  -4.646
  230    HG2  LYS 779           HG2      LYS 779   0.450 -33.765  -4.143
  231    HG3  LYS 779           HG3      LYS 779   0.178 -33.406  -5.851
  232    HD2  LYS 779           HD2      LYS 779  -1.648 -35.087  -4.073
  233    HD3  LYS 779           HD3      LYS 779  -1.907 -33.387  -4.505
  234    HE2  LYS 779           HE2      LYS 779  -1.961 -34.015  -6.921
  235    HE3  LYS 779           HE3      LYS 779  -1.804 -35.725  -6.474
  236    HZ1  LYS 779           HZ1      LYS 779  -3.897 -35.521  -5.250
  237    HZ2  LYS 779           HZ2      LYS 779  -4.117 -35.141  -6.821
  238    HZ3  LYS 779           HZ3      LYS 779  -4.049 -33.950  -5.692
  239    H    GLU 780           H        GLU 780   2.948 -36.785  -3.762
  240    HA   GLU 780           HA       GLU 780   4.666 -38.619  -5.135
  241    HB2  GLU 780           HB2      GLU 780   4.604 -39.975  -3.148
  242    HB3  GLU 780           HB3      GLU 780   4.759 -38.278  -2.717
  243    HG2  GLU 780           HG2      GLU 780   2.288 -38.223  -2.191
  244    HG3  GLU 780           HG3      GLU 780   2.218 -39.955  -2.532
  245    H    THR 781           H        THR 781   1.138 -38.655  -4.655
  246    HA   THR 781           HA       THR 781   0.658 -41.280  -5.764
  247    HB   THR 781           HB       THR 781  -1.664 -40.268  -6.175
  248    HG1  THR 781           HG1      THR 781  -2.012 -38.320  -5.068
  249   HG21  THR 781          HG21      THR 781  -2.234 -40.300  -3.773
  250   HG22  THR 781          HG22      THR 781  -0.513 -40.172  -3.333
  251   HG23  THR 781          HG23      THR 781  -1.117 -41.617  -4.176
  252    H    CYS 782           H        CYS 782   0.764 -37.991  -7.231
  253    HA   CYS 782           HA       CYS 782   0.143 -38.816  -9.870
  254    HB2  CYS 782           HB2      CYS 782   1.718 -36.433  -8.781
  255    HB3  CYS 782           HB3      CYS 782   1.277 -36.633 -10.479
  256    H    VAL 783           H        VAL 783   3.296 -38.445  -8.249
  257    HA   VAL 783           HA       VAL 783   4.873 -39.287 -10.515
  258    HB   VAL 783           HB       VAL 783   5.558 -39.273  -7.551
  259   HG11  VAL 783          HG11      VAL 783   7.087 -40.838  -8.688
  260   HG12  VAL 783          HG12      VAL 783   7.388 -39.641  -9.968
  261   HG13  VAL 783          HG13      VAL 783   7.940 -39.337  -8.303
  262   HG21  VAL 783          HG21      VAL 783   6.795 -37.224  -8.099
  263   HG22  VAL 783          HG22      VAL 783   6.315 -37.350  -9.805
  264   HG23  VAL 783          HG23      VAL 783   5.092 -37.027  -8.566
  265    H    SER 784           H        SER 784   3.511 -41.171  -7.724
  266    HA   SER 784           HA       SER 784   4.657 -43.681  -8.527
  267    HB2  SER 784           HB2      SER 784   3.793 -43.100  -6.253
  268    HB3  SER 784           HB3      SER 784   2.144 -43.191  -6.894
  269    HG   SER 784           HG       SER 784   2.795 -45.170  -5.919
  270    H    GLU 785           H        GLU 785   1.399 -42.284  -9.208
  271    HA   GLU 785           HA       GLU 785   0.554 -44.535 -10.865
  272    HB2  GLU 785           HB2      GLU 785  -0.545 -41.729 -10.476
  273    HB3  GLU 785           HB3      GLU 785  -1.327 -42.964 -11.441
  274    HG2  GLU 785           HG2      GLU 785  -0.767 -43.239  -8.457
  275    HG3  GLU 785           HG3      GLU 785  -2.301 -42.734  -9.161
  276    H    ASN 786           H        ASN 786   2.768 -42.057 -11.469
  277    HA   ASN 786           HA       ASN 786   3.761 -41.162 -13.276
  278    HB2  ASN 786           HB2      ASN 786   2.893 -43.821 -14.457
  279    HB3  ASN 786           HB3      ASN 786   3.872 -42.649 -15.348
  280   HD21  ASN 786          HD21      ASN 786   3.888 -44.483 -12.190
  281   HD22  ASN 786          HD22      ASN 786   5.636 -44.605 -12.179
  282    H    HIS 787           H        HIS 787   1.600 -39.819 -12.788
  283    HA   HIS 787           HA       HIS 787  -0.155 -39.311 -15.054
  284    HB2  HIS 787           HB2      HIS 787   0.756 -37.616 -12.695
  285    HB3  HIS 787           HB3      HIS 787  -0.346 -37.049 -13.941
  286    HD2  HIS 787           HD2      HIS 787  -1.166 -40.616 -13.262
  287    HE1  HIS 787           HE1      HIS 787  -3.832 -38.458 -10.754
  288    HE2  HIS 787           HE2      HIS 787  -3.290 -40.740 -11.768
  289    H    ASP 788           H        ASP 788  -0.049 -37.536 -16.492
  290    HA   ASP 788           HA       ASP 788   2.685 -37.047 -17.535
  291    HB2  ASP 788           HB2      ASP 788   0.814 -37.740 -19.042
  292    HB3  ASP 788           HB3      ASP 788  -0.055 -36.272 -18.630
  293    H    PHE 789           H        PHE 789   3.691 -35.040 -17.481
  294    HA   PHE 789           HA       PHE 789   2.167 -32.672 -16.734
  295    HB2  PHE 789           HB2      PHE 789   4.355 -32.329 -15.057
  296    HB3  PHE 789           HB3      PHE 789   2.704 -32.577 -14.598
  297    HD1  PHE 789           HD1      PHE 789   5.973 -34.285 -15.122
  298    HD2  PHE 789           HD2      PHE 789   2.026 -34.520 -13.405
  299    HE1  PHE 789           HE1      PHE 789   6.688 -36.230 -13.742
  300    HE2  PHE 789           HE2      PHE 789   2.752 -36.443 -12.020
  301    HZ   PHE 789           HZ       PHE 789   5.075 -37.314 -12.186
  302    H    HIS 790           H        HIS 790   3.185 -30.705 -17.032
  303    HA   HIS 790           HA       HIS 790   5.791 -30.687 -18.505
  304    HB2  HIS 790           HB2      HIS 790   3.301 -29.023 -19.034
  305    HB3  HIS 790           HB3      HIS 790   4.906 -28.508 -19.521
  306    HD1  HIS 790           HD1      HIS 790   5.226 -28.972 -22.035
  307    HD2  HIS 790           HD2      HIS 790   3.023 -31.938 -20.023
  308    HE1  HIS 790           HE1      HIS 790   4.665 -30.741 -23.770
  309    H    TRP 791           H        TRP 791   7.217 -29.109 -17.855
  310    HA   TRP 791           HA       TRP 791   6.536 -27.625 -15.360
  311    HB2  TRP 791           HB2      TRP 791   9.190 -28.661 -16.400
  312    HB3  TRP 791           HB3      TRP 791   9.048 -27.515 -15.091
  313    HD1  TRP 791           HD1      TRP 791   8.067 -31.161 -15.908
  314    HE1  TRP 791           HE1      TRP 791   7.985 -32.519 -13.733
  315    HE3  TRP 791           HE3      TRP 791   8.754 -27.356 -12.543
  316    HZ2  TRP 791           HZ2      TRP 791   8.264 -32.029 -10.904
  317    HZ3  TRP 791           HZ3      TRP 791   8.827 -27.825 -10.108
  318    HH2  TRP 791           HH2      TRP 791   8.608 -30.156  -9.276
  319    H    HIS 792           H        HIS 792   7.123 -25.522 -15.095
  320    HA   HIS 792           HA       HIS 792   8.020 -23.817 -17.343
  321    HB2  HIS 792           HB2      HIS 792   5.381 -23.331 -15.886
  322    HB3  HIS 792           HB3      HIS 792   5.998 -22.466 -17.284
  323    HD1  HIS 792           HD1      HIS 792   5.693 -23.772 -19.690
  324    HD2  HIS 792           HD2      HIS 792   4.051 -25.595 -16.265
  325    HE1  HIS 792           HE1      HIS 792   4.106 -25.568 -20.537
  326    H    ASN 793           H        ASN 793   7.931 -21.359 -16.372
  327    HA   ASN 793           HA       ASN 793   8.834 -21.453 -13.513
  328    HB2  ASN 793           HB2      ASN 793   9.403 -19.510 -15.775
  329    HB3  ASN 793           HB3      ASN 793   9.672 -19.087 -14.083
  330   HD21  ASN 793          HD21      ASN 793  10.983 -20.723 -12.760
  331   HD22  ASN 793          HD22      ASN 793  12.373 -21.414 -13.580
  332    H    GLY 794           H        GLY 794   8.161 -19.848 -12.051
  333    HA2  GLY 794           HA2      GLY 794   5.910 -18.062 -12.543
  334    HA3  GLY 794           HA3      GLY 794   5.437 -19.506 -11.663
  335    H    VAL 795           H        VAL 795   4.882 -18.082  -9.919
  336    HA   VAL 795           HA       VAL 795   7.031 -17.904  -7.962
  337    HB   VAL 795           HB       VAL 795   7.400 -15.729  -8.783
  338   HG11  VAL 795          HG11      VAL 795   4.422 -15.161  -8.602
  339   HG12  VAL 795          HG12      VAL 795   5.683 -13.975  -8.995
  340   HG13  VAL 795          HG13      VAL 795   5.377 -15.318 -10.101
  341   HG21  VAL 795          HG21      VAL 795   7.019 -14.332  -6.882
  342   HG22  VAL 795          HG22      VAL 795   5.580 -15.253  -6.392
  343   HG23  VAL 795          HG23      VAL 795   7.186 -15.978  -6.258
  344    H    LYS 796           H        LYS 796   6.385 -18.241  -5.973
  345    HA   LYS 796           HA       LYS 796   3.533 -18.927  -5.530
  346    HB2  LYS 796           HB2      LYS 796   4.344 -20.523  -3.943
  347    HB3  LYS 796           HB3      LYS 796   5.269 -20.681  -5.429
  348    HG2  LYS 796           HG2      LYS 796   6.988 -19.046  -4.235
  349    HG3  LYS 796           HG3      LYS 796   6.160 -19.540  -2.754
  350    HD2  LYS 796           HD2      LYS 796   7.480 -21.384  -4.787
  351    HD3  LYS 796           HD3      LYS 796   8.212 -20.847  -3.262
  352    HE2  LYS 796           HE2      LYS 796   6.396 -21.967  -1.988
  353    HE3  LYS 796           HE3      LYS 796   5.652 -22.511  -3.509
  354    HZ1  LYS 796           HZ1      LYS 796   8.337 -23.289  -2.519
  355    HZ2  LYS 796           HZ2      LYS 796   7.714 -23.762  -3.947
  356    HZ3  LYS 796           HZ3      LYS 796   7.020 -24.245  -2.550
  357    H    ARG 797           H        ARG 797   2.477 -18.504  -3.629
  358    HA   ARG 797           HA       ARG 797   3.178 -15.912  -2.310
  359    HB2  ARG 797           HB2      ARG 797   0.390 -16.988  -2.832
  360    HB3  ARG 797           HB3      ARG 797   0.869 -15.334  -2.482
  361    HG2  ARG 797           HG2      ARG 797   1.242 -16.892  -5.076
  362    HG3  ARG 797           HG3      ARG 797   0.133 -15.565  -4.780
  363    HD2  ARG 797           HD2      ARG 797   1.914 -13.975  -4.572
  364    HD3  ARG 797           HD3      ARG 797   3.151 -15.221  -4.722
  365    HE   ARG 797           HE       ARG 797   1.909 -15.713  -6.979
  366   HH11  ARG 797          HH11      ARG 797   2.883 -12.532  -5.796
  367   HH12  ARG 797          HH12      ARG 797   2.484 -11.750  -7.287
  368   HH21  ARG 797          HH21      ARG 797   1.538 -14.662  -8.928
  369   HH22  ARG 797          HH22      ARG 797   1.842 -12.963  -9.071
  370    H    PHE 798           H        PHE 798   2.906 -15.817  -0.095
  371    HA   PHE 798           HA       PHE 798   2.428 -18.403   1.311
  372    HB2  PHE 798           HB2      PHE 798   3.865 -15.962   2.370
  373    HB3  PHE 798           HB3      PHE 798   3.951 -17.620   2.952
  374    HD1  PHE 798           HD1      PHE 798   4.786 -19.386   1.062
  375    HD2  PHE 798           HD2      PHE 798   5.759 -15.187   1.215
  376    HE1  PHE 798           HE1      PHE 798   6.802 -19.792  -0.316
  377    HE2  PHE 798           HE2      PHE 798   7.784 -15.598  -0.069
  378    HZ   PHE 798           HZ       PHE 798   8.292 -17.892  -0.945
  379    H    PHE 799           H        PHE 799   1.049 -18.602   3.059
  380    HA   PHE 799           HA       PHE 799  -0.573 -16.230   3.848
  381    HB2  PHE 799           HB2      PHE 799  -1.669 -18.966   3.147
  382    HB3  PHE 799           HB3      PHE 799  -2.589 -17.558   3.680
  383    HD1  PHE 799           HD1      PHE 799  -2.945 -15.639   2.186
  384    HD2  PHE 799           HD2      PHE 799  -0.773 -19.117   0.866
  385    HE1  PHE 799           HE1      PHE 799  -3.016 -14.792  -0.140
  386    HE2  PHE 799           HE2      PHE 799  -0.876 -18.286  -1.475
  387    HZ   PHE 799           HZ       PHE 799  -1.967 -16.112  -1.978
  388    H    LYS 800           H        LYS 800  -1.665 -16.341   5.784
  389    HA   LYS 800           HA       LYS 800  -0.877 -18.442   7.749
  390    HB2  LYS 800           HB2      LYS 800   0.602 -16.465   7.946
  391    HB3  LYS 800           HB3      LYS 800  -0.801 -15.413   8.155
  392    HG2  LYS 800           HG2      LYS 800  -1.368 -16.544  10.271
  393    HG3  LYS 800           HG3      LYS 800  -0.025 -17.695  10.048
  394    HD2  LYS 800           HD2      LYS 800   1.592 -15.818  10.134
  395    HD3  LYS 800           HD3      LYS 800   0.246 -14.671  10.340
  396    HE2  LYS 800           HE2      LYS 800  -0.412 -15.869  12.428
  397    HE3  LYS 800           HE3      LYS 800   0.965 -16.966  12.241
  398    HZ1  LYS 800           HZ1      LYS 800   2.430 -15.028  12.440
  399    HZ2  LYS 800           HZ2      LYS 800   1.484 -15.170  13.754
  400    HZ3  LYS 800           HZ3      LYS 800   1.149 -14.029  12.638
  401    H    CYS 801           H        CYS 801  -2.324 -18.983   9.260
  402    HA   CYS 801           HA       CYS 801  -5.153 -18.078   9.001
  403    HB2  CYS 801           HB2      CYS 801  -4.496 -20.474   8.680
  404    HB3  CYS 801           HB3      CYS 801  -3.840 -20.485  10.318
  405    HA   PRO 802           HA       PRO 802  -5.172 -15.966  12.992
  406    HB2  PRO 802           HB2      PRO 802  -7.576 -17.732  13.497
  407    HB3  PRO 802           HB3      PRO 802  -7.357 -16.008  13.920
  408    HG2  PRO 802           HG2      PRO 802  -8.719 -16.754  11.694
  409    HG3  PRO 802           HG3      PRO 802  -7.618 -15.340  11.643
  410    HD2  PRO 802           HD2      PRO 802  -7.242 -18.060  10.519
  411    HD3  PRO 802           HD3      PRO 802  -6.549 -16.513   9.979
  412    H    CYS 803           H        CYS 803  -5.456 -19.574  13.087
  413    HA   CYS 803           HA       CYS 803  -4.702 -19.748  15.882
  414    HB2  CYS 803           HB2      CYS 803  -4.838 -22.105  15.574
  415    HB3  CYS 803           HB3      CYS 803  -6.223 -21.366  14.773
  416    H    GLY 804           H        GLY 804  -2.837 -19.143  13.126
  417    HA2  GLY 804           HA2      GLY 804  -0.514 -18.712  13.203
  418    HA3  GLY 804           HA3      GLY 804  -0.294 -19.964  14.445
  419    H    ASN 805           H        ASN 805  -2.252 -21.534  12.358
  420    HA   ASN 805           HA       ASN 805  -0.199 -23.043  11.070
  421    HB2  ASN 805           HB2      ASN 805  -2.490 -23.873  11.595
  422    HB3  ASN 805           HB3      ASN 805  -3.139 -22.816  10.334
  423   HD21  ASN 805          HD21      ASN 805  -4.001 -24.626   9.133
  424   HD22  ASN 805          HD22      ASN 805  -2.899 -25.681   8.246
  425    H    ARG 806           H        ARG 806   0.197 -23.263   8.761
  426    HA   ARG 806           HA       ARG 806   0.101 -20.694   7.233
  427    HB2  ARG 806           HB2      ARG 806   2.415 -22.663   7.513
  428    HB3  ARG 806           HB3      ARG 806   2.420 -21.241   6.492
  429    HG2  ARG 806           HG2      ARG 806   2.237 -21.238   9.538
  430    HG3  ARG 806           HG3      ARG 806   3.670 -20.893   8.587
  431    HD2  ARG 806           HD2      ARG 806   1.118 -19.237   8.623
  432    HD3  ARG 806           HD3      ARG 806   2.626 -18.819   9.435
  433    HE   ARG 806           HE       ARG 806   1.971 -18.592   6.583
  434   HH11  ARG 806          HH11      ARG 806   4.682 -18.642   8.871
  435   HH12  ARG 806          HH12      ARG 806   5.790 -17.964   7.717
  436   HH21  ARG 806          HH21      ARG 806   3.448 -17.744   5.161
  437   HH22  ARG 806          HH22      ARG 806   5.091 -17.447   5.650
  438    H    THR 807           H        THR 807   0.265 -20.872   4.951
  439    HA   THR 807           HA       THR 807   0.580 -23.404   3.653
  440    HB   THR 807           HB       THR 807  -1.924 -23.424   4.216
  441    HG1  THR 807           HG1      THR 807  -1.095 -24.806   2.764
  442   HG21  THR 807          HG21      THR 807  -2.082 -21.493   1.866
  443   HG22  THR 807          HG22      THR 807  -2.460 -21.088   3.550
  444   HG23  THR 807          HG23      THR 807  -3.427 -22.299   2.697
  445    H    ILE 808           H        ILE 808   0.166 -23.105   1.209
  446    HA   ILE 808           HA       ILE 808   1.308 -20.543   0.231
  447    HB   ILE 808           HB       ILE 808   2.617 -23.226  -0.376
  448   HG12  ILE 808          HG12      ILE 808   3.509 -21.162   1.671
  449   HG13  ILE 808          HG13      ILE 808   3.045 -22.831   1.966
  450   HG21  ILE 808          HG21      ILE 808   4.367 -21.937  -1.424
  451   HG22  ILE 808          HG22      ILE 808   2.859 -21.363  -2.089
  452   HG23  ILE 808          HG23      ILE 808   3.689 -20.408  -0.846
  453   HD11  ILE 808          HD11      ILE 808   5.403 -22.726   2.117
  454   HD12  ILE 808          HD12      ILE 808   5.016 -23.593   0.616
  455   HD13  ILE 808          HD13      ILE 808   5.564 -21.904   0.562
  456    H    SER 809           H        SER 809   0.863 -20.166  -1.975
  457    HA   SER 809           HA       SER 809  -0.401 -22.258  -3.640
  458    HB2  SER 809           HB2      SER 809  -2.294 -21.150  -2.379
  459    HB3  SER 809           HB3      SER 809  -1.818 -19.614  -3.113
  460    HG   SER 809           HG       SER 809  -2.941 -21.916  -4.329
  461    H    LEU 810           H        LEU 810  -0.738 -21.375  -5.937
  462    HA   LEU 810           HA       LEU 810   1.325 -19.343  -6.681
  463    HB2  LEU 810           HB2      LEU 810  -0.410 -21.211  -8.360
  464    HB3  LEU 810           HB3      LEU 810   0.696 -20.001  -9.011
  465    HG   LEU 810           HG       LEU 810   1.508 -22.461  -7.391
  466   HD11  LEU 810          HD11      LEU 810   2.515 -23.194  -9.481
  467   HD12  LEU 810          HD12      LEU 810   1.944 -21.721 -10.310
  468   HD13  LEU 810          HD13      LEU 810   0.773 -22.917  -9.698
  469   HD21  LEU 810          HD21      LEU 810   3.846 -21.795  -8.044
  470   HD22  LEU 810          HD22      LEU 810   3.106 -20.709  -6.874
  471   HD23  LEU 810          HD23      LEU 810   3.213 -20.235  -8.599
  472    H    ASP 811           H        ASP 811  -2.028 -19.578  -5.973
  473    HA   ASP 811           HA       ASP 811  -2.801 -17.209  -7.579
  474    HB2  ASP 811           HB2      ASP 811  -4.338 -19.085  -5.737
  475    HB3  ASP 811           HB3      ASP 811  -5.039 -17.656  -6.486
  476    H    ARG 812           H        ARG 812  -3.879 -15.401  -6.560
  477    HA   ARG 812           HA       ARG 812  -2.386 -14.205  -4.462
  478    HB2  ARG 812           HB2      ARG 812  -3.919 -12.350  -4.653
  479    HB3  ARG 812           HB3      ARG 812  -3.484 -12.935  -6.258
  480    HG2  ARG 812           HG2      ARG 812  -5.676 -14.093  -6.439
  481    HG3  ARG 812           HG3      ARG 812  -6.089 -13.586  -4.792
  482    HD2  ARG 812           HD2      ARG 812  -5.933 -11.206  -5.475
  483    HD3  ARG 812           HD3      ARG 812  -5.548 -11.716  -7.132
  484    HE   ARG 812           HE       ARG 812  -7.964 -12.990  -6.440
  485   HH11  ARG 812          HH11      ARG 812  -6.907  -9.647  -6.888
  486   HH12  ARG 812          HH12      ARG 812  -8.496  -9.105  -7.346
  487   HH21  ARG 812          HH21      ARG 812  -9.999 -12.233  -7.027
  488   HH22  ARG 812          HH22      ARG 812 -10.222 -10.548  -7.406
  489    H    LEU 813           H        LEU 813  -4.941 -16.416  -4.160
  490    HA   LEU 813           HA       LEU 813  -4.807 -16.319  -1.277
  491    HB2  LEU 813           HB2      LEU 813  -6.717 -14.677  -1.989
  492    HB3  LEU 813           HB3      LEU 813  -7.552 -16.122  -2.560
  493    HG   LEU 813           HG       LEU 813  -7.394 -17.034  -0.181
  494   HD11  LEU 813          HD11      LEU 813  -5.566 -15.535   0.675
  495   HD12  LEU 813          HD12      LEU 813  -7.046 -15.387   1.634
  496   HD13  LEU 813          HD13      LEU 813  -6.624 -14.134   0.447
  497   HD21  LEU 813          HD21      LEU 813  -8.930 -14.434  -0.626
  498   HD22  LEU 813          HD22      LEU 813  -9.274 -15.646   0.633
  499   HD23  LEU 813          HD23      LEU 813  -9.461 -16.068  -1.079
  500    HA   PRO 814           HA       PRO 814  -5.291 -20.683  -2.421
  501    HB2  PRO 814           HB2      PRO 814  -5.437 -21.856   0.040
  502    HB3  PRO 814           HB3      PRO 814  -3.917 -21.136  -0.574
  503    HG2  PRO 814           HG2      PRO 814  -5.995 -19.865   1.229
  504    HG3  PRO 814           HG3      PRO 814  -4.228 -19.969   1.511
  505    HD2  PRO 814           HD2      PRO 814  -5.366 -17.763   0.442
  506    HD3  PRO 814           HD3      PRO 814  -3.800 -18.362  -0.170
  507    H    LYS 815           H        LYS 815  -6.901 -22.445  -2.104
  508    HA   LYS 815           HA       LYS 815  -9.649 -21.414  -1.464
  509    HB2  LYS 815           HB2      LYS 815 -10.540 -22.774  -3.244
  510    HB3  LYS 815           HB3      LYS 815  -9.334 -21.660  -3.833
  511    HG2  LYS 815           HG2      LYS 815  -8.973 -23.618  -5.045
  512    HG3  LYS 815           HG3      LYS 815  -7.644 -23.535  -3.904
  513    HD2  LYS 815           HD2      LYS 815  -8.508 -25.832  -4.217
  514    HD3  LYS 815           HD3      LYS 815  -8.605 -25.310  -2.550
  515    HE2  LYS 815           HE2      LYS 815 -10.618 -26.520  -3.099
  516    HE3  LYS 815           HE3      LYS 815 -11.047 -24.835  -2.837
  517    HZ1  LYS 815           HZ1      LYS 815 -10.703 -26.144  -5.489
  518    HZ2  LYS 815           HZ2      LYS 815 -11.059 -24.558  -5.276
  519    HZ3  LYS 815           HZ3      LYS 815 -12.124 -25.710  -4.810
  520    H    LYS 816           H        LYS 816  -7.335 -23.542  -0.411
  521    HA   LYS 816           HA       LYS 816  -9.060 -25.693   0.583
  522    HB2  LYS 816           HB2      LYS 816  -6.998 -26.440   1.703
  523    HB3  LYS 816           HB3      LYS 816  -6.764 -26.185  -0.030
  524    HG2  LYS 816           HG2      LYS 816  -5.521 -24.160   0.319
  525    HG3  LYS 816           HG3      LYS 816  -6.008 -24.045   1.998
  526    HD2  LYS 816           HD2      LYS 816  -3.893 -24.845   2.294
  527    HD3  LYS 816           HD3      LYS 816  -4.793 -26.358   2.279
  528    HE2  LYS 816           HE2      LYS 816  -2.941 -26.772   0.893
  529    HE3  LYS 816           HE3      LYS 816  -4.255 -26.495  -0.251
  530    HZ1  LYS 816           HZ1      LYS 816  -2.209 -25.273  -0.838
  531    HZ2  LYS 816           HZ2      LYS 816  -2.255 -24.467   0.592
  532    HZ3  LYS 816           HZ3      LYS 816  -3.417 -24.219  -0.533
  533    H    HIS 817           H        HIS 817  -9.591 -26.120   2.752
  534    HA   HIS 817           HA       HIS 817  -9.770 -23.797   4.595
  535    HB2  HIS 817           HB2      HIS 817 -10.529 -26.723   4.974
  536    HB3  HIS 817           HB3      HIS 817 -10.902 -25.400   6.071
  537    HD1  HIS 817           HD1      HIS 817 -13.227 -27.153   4.864
  538    HD2  HIS 817           HD2      HIS 817 -11.836 -23.502   3.314
  539    HE1  HIS 817           HE1      HIS 817 -15.140 -26.172   3.488
  540    H    CYS 818           H        CYS 818  -8.972 -24.073   6.871
  541    HA   CYS 818           HA       CYS 818  -6.184 -24.614   7.005
  542    HB2  CYS 818           HB2      CYS 818  -7.340 -22.993   8.351
  543    HB3  CYS 818           HB3      CYS 818  -8.314 -24.245   9.136
  544    H    SER 819           H        SER 819  -5.021 -26.350   7.482
  545    HA   SER 819           HA       SER 819  -6.163 -28.993   7.808
  546    HB2  SER 819           HB2      SER 819  -3.295 -28.084   8.257
  547    HB3  SER 819           HB3      SER 819  -3.848 -29.726   7.957
  548    HG   SER 819           HG       SER 819  -3.021 -28.808   6.045
  549    H    THR 820           H        THR 820  -5.478 -26.507  10.100
  550    HA   THR 820           HA       THR 820  -4.984 -28.409  12.355
  551    HB   THR 820           HB       THR 820  -4.440 -25.430  12.097
  552    HG1  THR 820           HG1      THR 820  -2.731 -27.705  12.113
  553   HG21  THR 820          HG21      THR 820  -2.997 -25.787  14.113
  554   HG22  THR 820          HG22      THR 820  -3.718 -27.401  14.310
  555   HG23  THR 820          HG23      THR 820  -4.725 -25.942  14.456
  556    H    CYS 821           H        CYS 821  -7.171 -25.712  11.431
  557    HA   CYS 821           HA       CYS 821  -8.944 -26.561  13.679
  558    HB2  CYS 821           HB2      CYS 821  -9.421 -24.351  14.276
  559    HB3  CYS 821           HB3      CYS 821  -7.664 -24.550  14.297
  560    H    GLY 822           H        GLY 822  -8.854 -25.847  10.334
  561    HA2  GLY 822           HA2      GLY 822 -10.404 -26.749   8.857
  562    HA3  GLY 822           HA3      GLY 822 -11.592 -26.886  10.179
  563    H    LEU 823           H        LEU 823 -10.708 -23.688  10.264
  564    HA   LEU 823           HA       LEU 823 -13.045 -22.896   8.641
  565    HB2  LEU 823           HB2      LEU 823 -12.800 -20.704   9.639
  566    HB3  LEU 823           HB3      LEU 823 -12.939 -21.995  10.810
  567    HG   LEU 823           HG       LEU 823 -10.626 -21.829  11.431
  568   HD11  LEU 823          HD11      LEU 823 -10.385 -19.693   9.278
  569   HD12  LEU 823          HD12      LEU 823  -9.420 -21.185   9.440
  570   HD13  LEU 823          HD13      LEU 823  -9.221 -19.872  10.606
  571   HD21  LEU 823          HD21      LEU 823 -11.974 -19.100  11.332
  572   HD22  LEU 823          HD22      LEU 823 -10.677 -19.573  12.451
  573   HD23  LEU 823          HD23      LEU 823 -12.261 -20.366  12.541
  574    H    PHE 824           H        PHE 824 -12.659 -20.559   7.620
  575    HA   PHE 824           HA       PHE 824 -10.276 -20.591   5.832
  576    HB2  PHE 824           HB2      PHE 824 -12.283 -21.529   4.683
  577    HB3  PHE 824           HB3      PHE 824 -13.132 -20.016   4.956
  578    HD1  PHE 824           HD2      PHE 824 -10.330 -21.662   3.186
  579    HD2  PHE 824           HD1      PHE 824 -12.613 -18.025   3.593
  580    HE1  PHE 824           HE2      PHE 824  -9.300 -20.791   1.119
  581    HE2  PHE 824           HE1      PHE 824 -11.569 -17.152   1.522
  582    HZ   PHE 824           HZ       PHE 824  -9.914 -18.512   0.279
  583    H    LYS 825           H        LYS 825  -9.228 -19.005   6.919
  584    HA   LYS 825           HA       LYS 825 -10.265 -16.230   6.745
  585    HB2  LYS 825           HB2      LYS 825  -9.259 -17.561   9.291
  586    HB3  LYS 825           HB3      LYS 825  -9.458 -15.827   9.125
  587    HG2  LYS 825           HG2      LYS 825 -11.755 -17.820   8.970
  588    HG3  LYS 825           HG3      LYS 825 -11.268 -16.881  10.383
  589    HD2  LYS 825           HD2      LYS 825 -11.735 -14.772   9.182
  590    HD3  LYS 825           HD3      LYS 825 -12.244 -15.703   7.751
  591    HE2  LYS 825           HE2      LYS 825 -14.007 -16.820   9.107
  592    HE3  LYS 825           HE3      LYS 825 -13.517 -15.876  10.518
  593    HZ1  LYS 825           HZ1      LYS 825 -14.593 -14.736   7.996
  594    HZ2  LYS 825           HZ2      LYS 825 -14.129 -13.860   9.305
  595    HZ3  LYS 825           HZ3      LYS 825 -15.410 -14.856   9.408
  596    H    TRP 826           H        TRP 826  -8.214 -17.805   5.275
  597    HA   TRP 826           HA       TRP 826  -5.590 -17.296   6.082
  598    HB2  TRP 826           HB2      TRP 826  -6.739 -17.470   3.282
  599    HB3  TRP 826           HB3      TRP 826  -5.026 -17.522   3.663
  600    HD1  TRP 826           HD1      TRP 826  -7.827 -19.732   3.056
  601    HE1  TRP 826           HE1      TRP 826  -7.278 -22.157   3.652
  602    HE3  TRP 826           HE3      TRP 826  -3.597 -18.928   5.819
  603    HZ2  TRP 826           HZ2      TRP 826  -5.286 -23.572   5.209
  604    HZ3  TRP 826           HZ3      TRP 826  -2.405 -20.829   6.881
  605    HH2  TRP 826           HH2      TRP 826  -3.220 -23.147   6.572
  606    H    GLU 827           H        GLU 827  -4.253 -15.641   6.135
  607    HA   GLU 827           HA       GLU 827  -4.909 -13.061   4.763
  608    HB2  GLU 827           HB2      GLU 827  -4.902 -12.969   7.205
  609    HB3  GLU 827           HB3      GLU 827  -3.282 -13.668   7.270
  610    HG2  GLU 827           HG2      GLU 827  -2.302 -11.716   6.214
  611    HG3  GLU 827           HG3      GLU 827  -3.886 -11.051   5.830
  612    H    ARG 828           H        ARG 828  -3.503 -12.367   3.225
  613    HA   ARG 828           HA       ARG 828  -1.264 -13.983   2.383
  614    HB2  ARG 828           HB2      ARG 828  -2.506 -12.594   0.786
  615    HB3  ARG 828           HB3      ARG 828  -2.081 -11.137   1.671
  616    HG2  ARG 828           HG2      ARG 828  -0.684 -11.255  -0.278
  617    HG3  ARG 828           HG3      ARG 828   0.319 -11.511   1.144
  618    HD2  ARG 828           HD2      ARG 828  -0.192 -14.102   0.547
  619    HD3  ARG 828           HD3      ARG 828  -0.454 -13.427  -1.052
  620    HE   ARG 828           HE       ARG 828   2.066 -13.470   0.541
  621   HH11  ARG 828          HH11      ARG 828   0.629 -12.320  -2.510
  622   HH12  ARG 828          HH12      ARG 828   2.230 -12.196  -3.241
  623   HH21  ARG 828          HH21      ARG 828   4.045 -13.178  -0.565
  624   HH22  ARG 828          HH22      ARG 828   3.976 -12.687  -2.249
  625    H    VAL 829           H        VAL 829   0.737 -14.009   3.071
  626    HA   VAL 829           HA       VAL 829   1.925 -11.713   4.550
  627    HB   VAL 829           HB       VAL 829   3.059 -13.216   6.111
  628   HG11  VAL 829          HG11      VAL 829   0.038 -13.554   6.271
  629   HG12  VAL 829          HG12      VAL 829   1.209 -13.659   7.606
  630   HG13  VAL 829          HG13      VAL 829   0.950 -12.124   6.779
  631   HG21  VAL 829          HG21      VAL 829   2.987 -15.316   4.769
  632   HG22  VAL 829          HG22      VAL 829   2.400 -15.535   6.421
  633   HG23  VAL 829          HG23      VAL 829   1.242 -15.437   5.078
  634    H    GLY 830           H        GLY 830   4.399 -12.225   4.842
  635    HA2  GLY 830           HA2      GLY 830   5.467 -12.788   2.109
  636    HA3  GLY 830           HA3      GLY 830   6.175 -11.727   3.341
  637    H    MET 831           H        MET 831   7.508 -13.701   1.856
  638    HA   MET 831           HA       MET 831   9.055 -14.619   4.046
  639    HB2  MET 831           HB2      MET 831   7.252 -16.518   3.637
  640    HB3  MET 831           HB3      MET 831   8.253 -16.907   2.249
  641    HG2  MET 831           HG2      MET 831  10.187 -17.218   3.683
  642    HG3  MET 831           HG3      MET 831   9.192 -16.877   5.112
  643    HE1  MET 831           HE1      MET 831  10.741 -19.289   5.494
  644    HE2  MET 831           HE2      MET 831  10.356 -20.788   4.618
  645    HE3  MET 831           HE3      MET 831  11.107 -19.421   3.760
  646    H    LEU 832           H        LEU 832  11.132 -15.468   3.456
  647    HA   LEU 832           HA       LEU 832  11.985 -15.852   0.782
  648    HB2  LEU 832           HB2      LEU 832  12.024 -13.118   1.556
  649    HB3  LEU 832           HB3      LEU 832  13.672 -13.639   1.780
  650    HG   LEU 832           HG       LEU 832  13.406 -12.663  -0.403
  651   HD11  LEU 832          HD11      LEU 832  14.188 -14.401  -1.915
  652   HD12  LEU 832          HD12      LEU 832  13.621 -15.676  -0.818
  653   HD13  LEU 832          HD13      LEU 832  14.951 -14.582  -0.339
  654   HD21  LEU 832          HD21      LEU 832  11.233 -14.715  -1.016
  655   HD22  LEU 832          HD22      LEU 832  11.899 -13.497  -2.134
  656   HD23  LEU 832          HD23      LEU 832  10.989 -12.996  -0.706
  657    H    LYS 833           H        LYS 833  14.638 -15.888   0.937
  658    HA   LYS 833           HA       LYS 833  14.963 -18.242   2.458
  659    HB2  LYS 833           HB2      LYS 833  17.111 -18.407   1.385
  660    HB3  LYS 833           HB3      LYS 833  15.965 -17.734   0.227
  661    HG2  LYS 833           HG2      LYS 833  16.857 -15.405   0.838
  662    HG3  LYS 833           HG3      LYS 833  18.111 -16.219   1.788
  663    HD2  LYS 833           HD2      LYS 833  18.860 -17.432  -0.285
  664    HD3  LYS 833           HD3      LYS 833  17.593 -16.595  -1.195
  665    HE2  LYS 833           HE2      LYS 833  19.567 -15.392  -1.660
  666    HE3  LYS 833           HE3      LYS 833  18.632 -14.390  -0.554
  667    HZ1  LYS 833           HZ1      LYS 833  21.012 -14.538   0.016
  668    HZ2  LYS 833           HZ2      LYS 833  20.898 -16.141   0.266
  669    HZ3  LYS 833           HZ3      LYS 833  20.113 -15.080   1.247
  670    H    GLU 834           H        GLU 834  15.398 -15.201   3.589
  671    HA   GLU 834           HA       GLU 834  16.782 -16.031   6.082
  672    HB2  GLU 834           HB2      GLU 834  17.759 -13.871   4.179
  673    HB3  GLU 834           HB3      GLU 834  18.178 -13.884   5.899
  674    HG2  GLU 834           HG2      GLU 834  19.348 -15.986   5.695
  675    HG3  GLU 834           HG3      GLU 834  18.803 -16.203   4.037
  676    H    LYS 835           H        LYS 835  15.990 -14.937   7.851
  677    HA   LYS 835           HA       LYS 835  13.845 -12.972   7.513
  678    HB2  LYS 835           HB2      LYS 835  13.626 -13.148   9.926
  679    HB3  LYS 835           HB3      LYS 835  13.626 -14.727   9.146
  680    HG2  LYS 835           HG2      LYS 835  16.069 -14.989   9.804
  681    HG3  LYS 835           HG3      LYS 835  15.919 -13.462  10.714
  682    HD2  LYS 835           HD2      LYS 835  14.025 -14.466  11.982
  683    HD3  LYS 835           HD3      LYS 835  14.297 -16.012  11.180
  684    HE2  LYS 835           HE2      LYS 835  16.361 -14.534  12.897
  685    HE3  LYS 835           HE3      LYS 835  15.316 -15.821  13.489
  686    HZ1  LYS 835           HZ1      LYS 835  17.337 -16.117  11.342
  687    HZ2  LYS 835           HZ2      LYS 835  16.330 -17.313  11.849
  688    HZ3  LYS 835           HZ3      LYS 835  17.455 -16.710  12.864
  689    H    THR 836           H        THR 836  13.869 -10.856   7.984
  690    HA   THR 836           HA       THR 836  16.261  -9.388   8.931
  691    HB   THR 836           HB       THR 836  16.154  -7.872   6.948
  692    HG1  THR 836           HG1      THR 836  15.075  -8.617   5.105
  693   HG21  THR 836          HG21      THR 836  17.449  -9.185   5.416
  694   HG22  THR 836          HG22      THR 836  16.816 -10.707   6.061
  695   HG23  THR 836          HG23      THR 836  17.879  -9.689   7.060
  696    H    GLY 837           H        GLY 837  15.788  -7.007   9.026
  697    HA2  GLY 837           HA2      GLY 837  13.190  -6.409  10.202
  698    HA3  GLY 837           HA3      GLY 837  14.488  -5.262   9.873
  699    HA   PRO 838           HA       PRO 838  11.191  -5.641   6.232
  700    HB2  PRO 838           HB2      PRO 838   9.448  -3.815   7.894
  701    HB3  PRO 838           HB3      PRO 838   8.966  -5.006   6.649
  702    HG2  PRO 838           HG2      PRO 838   8.764  -5.644   9.278
  703    HG3  PRO 838           HG3      PRO 838   9.428  -6.838   8.118
  704    HD2  PRO 838           HD2      PRO 838  10.926  -5.002  10.001
  705    HD3  PRO 838           HD3      PRO 838  11.191  -6.733   9.656
  706    H    LYS 839           H        LYS 839  11.232  -4.134   4.585
  707    HA   LYS 839           HA       LYS 839  12.793  -1.713   4.930
  708    HB2  LYS 839           HB2      LYS 839  12.866  -3.185   2.926
  709    HB3  LYS 839           HB3      LYS 839  11.191  -2.804   2.571
  710    HG2  LYS 839           HG2      LYS 839  12.690  -1.595   1.111
  711    HG3  LYS 839           HG3      LYS 839  11.810  -0.442   2.123
  712    HD2  LYS 839           HD2      LYS 839  13.831  -0.282   3.612
  713    HD3  LYS 839           HD3      LYS 839  14.694  -1.371   2.533
  714    HE2  LYS 839           HE2      LYS 839  13.513   1.334   1.744
  715    HE3  LYS 839           HE3      LYS 839  15.189   1.077   2.224
  716    HZ1  LYS 839           HZ1      LYS 839  15.045   1.059  -0.144
  717    HZ2  LYS 839           HZ2      LYS 839  13.890  -0.097  -0.159
  718    HZ3  LYS 839           HZ3      LYS 839  15.419  -0.457   0.336
  719    H    LEU 840           H        LEU 840   9.423  -2.421   5.150
  720    HA   LEU 840           HA       LEU 840   8.336   0.210   4.666
  721    HB2  LEU 840           HB2      LEU 840   7.018  -1.892   4.536
  722    HB3  LEU 840           HB3      LEU 840   7.294  -2.166   6.265
  723    HG   LEU 840           HG       LEU 840   5.974  -0.117   6.782
  724   HD11  LEU 840          HD11      LEU 840   4.578   0.917   4.995
  725   HD12  LEU 840          HD12      LEU 840   5.445  -0.048   3.774
  726   HD13  LEU 840          HD13      LEU 840   6.302   1.208   4.717
  727   HD21  LEU 840          HD21      LEU 840   3.784  -1.062   6.189
  728   HD22  LEU 840          HD22      LEU 840   4.896  -2.334   6.726
  729   HD23  LEU 840          HD23      LEU 840   4.537  -2.122   4.992
  730    H    GLY 841           H        GLY 841   8.111   1.924   6.028
  731    HA2  GLY 841           HA2      GLY 841   8.106   3.200   7.986
  732    HA3  GLY 841           HA3      GLY 841   8.456   1.744   8.932
  733    H    GLY 842           H        GLY 842   9.867   3.225  10.084
  734    HA2  GLY 842           HA2      GLY 842  12.617   2.807   9.625
  735    HA3  GLY 842           HA3      GLY 842  12.253   4.414   8.993
  Start of MODEL   13
    1    H1   GLY  -4           H1       GLY  -4  24.968  -6.105  -0.603
    2    H2   GLY  -4           H2       GLY  -4  24.711  -5.597  -2.140
    3    H3   GLY  -4           H3       GLY  -4  25.269  -7.117  -1.851
    4    HA2  GLY  -4           HA2      GLY  -4  22.930  -7.196  -2.435
    5    HA3  GLY  -4           HA3      GLY  -4  23.243  -7.776  -0.789
    6    HA   PRO  -3           HA       PRO  -3  20.236  -4.075  -1.023
    7    HB2  PRO  -3           HB2      PRO  -3  17.775  -5.295  -0.867
    8    HB3  PRO  -3           HB3      PRO  -3  18.652  -4.989  -2.404
    9    HG2  PRO  -3           HG2      PRO  -3  18.533  -7.541  -0.793
   10    HG3  PRO  -3           HG3      PRO  -3  18.321  -7.338  -2.557
   11    HD2  PRO  -3           HD2      PRO  -3  20.692  -8.119  -1.464
   12    HD3  PRO  -3           HD3      PRO  -3  20.630  -7.041  -2.901
   13    H    MET  -2           H        MET  -2  19.713  -7.030   0.951
   14    HA   MET  -2           HA       MET  -2  19.644  -7.446   3.156
   15    HB2  MET  -2           HB2      MET  -2  21.542  -5.742   3.190
   16    HB3  MET  -2           HB3      MET  -2  20.359  -4.553   3.742
   17    HG2  MET  -2           HG2      MET  -2  19.873  -5.973   5.729
   18    HG3  MET  -2           HG3      MET  -2  20.968  -7.203   5.112
   19    HE1  MET  -2           HE1      MET  -2  20.546  -3.760   6.810
   20    HE2  MET  -2           HE2      MET  -2  22.202  -3.122   6.907
   21    HE3  MET  -2           HE3      MET  -2  21.381  -3.211   5.339
   22    H    GLY  -1           H        GLY  -1  17.814  -4.665   2.072
   23    HA2  GLY  -1           HA2      GLY  -1  15.357  -5.630   3.239
   24    HA3  GLY  -1           HA3      GLY  -1  15.976  -4.295   4.175
   25    H    MET 755           H        MET 755  13.567  -4.468   2.659
   26    HA   MET 755           HA       MET 755  12.125  -3.000   1.785
   27    HB2  MET 755           HB2      MET 755  14.398  -0.993   2.005
   28    HB3  MET 755           HB3      MET 755  12.681  -0.617   1.848
   29    HG2  MET 755           HG2      MET 755  12.195  -1.845   3.936
   30    HG3  MET 755           HG3      MET 755  13.911  -2.173   4.163
   31    HE1  MET 755           HE1      MET 755  15.433   0.493   3.474
   32    HE2  MET 755           HE2      MET 755  15.450   1.242   5.087
   33    HE3  MET 755           HE3      MET 755  15.700  -0.511   4.906
   34    H    GLN 756           H        GLN 756  15.111  -3.075  -0.077
   35    HA   GLN 756           HA       GLN 756  13.937  -1.932  -2.468
   36    HB2  GLN 756           HB2      GLN 756  16.351  -1.829  -1.943
   37    HB3  GLN 756           HB3      GLN 756  16.464  -3.584  -2.011
   38    HG2  GLN 756           HG2      GLN 756  17.382  -2.592  -4.029
   39    HG3  GLN 756           HG3      GLN 756  15.954  -3.541  -4.420
   40   HE21  GLN 756          HE21      GLN 756  13.938  -2.342  -4.981
   41   HE22  GLN 756          HE22      GLN 756  14.076  -0.675  -5.545
   42    H    SER 757           H        SER 757  14.188  -5.251  -1.218
   43    HA   SER 757           HA       SER 757  13.184  -6.415  -3.754
   44    HB2  SER 757           HB2      SER 757  13.968  -7.778  -1.157
   45    HB3  SER 757           HB3      SER 757  13.621  -8.572  -2.699
   46    HG   SER 757           HG       SER 757  15.467  -7.559  -3.587
   47    H    ILE 758           H        ILE 758  11.342  -7.795  -3.847
   48    HA   ILE 758           HA       ILE 758   9.123  -7.015  -2.032
   49    HB   ILE 758           HB       ILE 758   8.985  -8.733  -4.537
   50   HG12  ILE 758          HG12      ILE 758   9.884  -6.633  -5.318
   51   HG13  ILE 758          HG13      ILE 758   8.192  -6.738  -5.755
   52   HG21  ILE 758          HG21      ILE 758   7.023  -8.945  -3.097
   53   HG22  ILE 758          HG22      ILE 758   6.858  -7.196  -2.984
   54   HG23  ILE 758          HG23      ILE 758   6.605  -8.027  -4.536
   55   HD11  ILE 758          HD11      ILE 758   9.343  -5.097  -3.448
   56   HD12  ILE 758          HD12      ILE 758   8.764  -4.482  -5.001
   57   HD13  ILE 758          HD13      ILE 758   7.618  -5.203  -3.849
   58    H    ARG 759           H        ARG 759   7.930  -8.525  -0.833
   59    HA   ARG 759           HA       ARG 759   9.421 -10.632   0.351
   60    HB2  ARG 759           HB2      ARG 759   7.579 -10.809   1.872
   61    HB3  ARG 759           HB3      ARG 759   7.925  -9.113   1.542
   62    HG2  ARG 759           HG2      ARG 759   6.033  -9.170  -0.222
   63    HG3  ARG 759           HG3      ARG 759   5.606 -10.752   0.431
   64    HD2  ARG 759           HD2      ARG 759   5.470  -9.571   2.717
   65    HD3  ARG 759           HD3      ARG 759   5.541  -8.050   1.812
   66    HE   ARG 759           HE       ARG 759   3.557  -9.259   0.487
   67   HH11  ARG 759          HH11      ARG 759   3.914  -8.937   3.998
   68   HH12  ARG 759          HH12      ARG 759   2.209  -9.129   4.275
   69   HH21  ARG 759          HH21      ARG 759   1.366  -9.442   0.920
   70   HH22  ARG 759          HH22      ARG 759   0.800  -9.398   2.564
   71    H    GLU 760           H        GLU 760   8.741 -11.239  -2.479
   72    HA   GLU 760           HA       GLU 760   7.889 -14.018  -2.111
   73    HB2  GLU 760           HB2      GLU 760   6.363 -14.004  -4.066
   74    HB3  GLU 760           HB3      GLU 760   5.755 -13.180  -2.639
   75    HG2  GLU 760           HG2      GLU 760   6.326 -10.989  -3.700
   76    HG3  GLU 760           HG3      GLU 760   6.869 -11.843  -5.154
   77    H    GLN 761           H        GLN 761   8.415 -15.381  -3.986
   78    HA   GLN 761           HA       GLN 761  10.791 -14.336  -5.459
   79    HB2  GLN 761           HB2      GLN 761  12.064 -16.264  -4.749
   80    HB3  GLN 761           HB3      GLN 761  11.502 -15.358  -3.354
   81    HG2  GLN 761           HG2      GLN 761   9.644 -17.046  -3.063
   82    HG3  GLN 761           HG3      GLN 761  10.326 -17.983  -4.385
   83   HE21  GLN 761          HE21      GLN 761  10.941 -16.842  -1.031
   84   HE22  GLN 761          HE22      GLN 761  12.172 -18.050  -0.713
   85    H    SER 762           H        SER 762  11.400 -15.387  -7.348
   86    HA   SER 762           HA       SER 762   9.333 -16.926  -8.727
   87    HB2  SER 762           HB2      SER 762  10.980 -16.886 -10.604
   88    HB3  SER 762           HB3      SER 762  10.484 -15.288 -10.039
   89    HG   SER 762           HG       SER 762  12.783 -15.462 -10.387
   90    H    CYS 763           H        CYS 763   9.516 -19.001  -9.488
   91    HA   CYS 763           HA       CYS 763  11.700 -20.800  -8.627
   92    HB2  CYS 763           HB2      CYS 763   8.808 -20.921  -7.648
   93    HB3  CYS 763           HB3      CYS 763   9.773 -22.403  -7.790
   94    HG   CYS 763           HG       CYS 763  10.895 -19.691  -6.288
   95    H    ARG 764           H        ARG 764  11.527 -22.919  -9.679
   96    HA   ARG 764           HA       ARG 764  10.059 -22.842 -12.237
   97    HB2  ARG 764           HB2      ARG 764  12.449 -23.896 -11.832
   98    HB3  ARG 764           HB3      ARG 764  11.518 -25.327 -11.318
   99    HG2  ARG 764           HG2      ARG 764  10.336 -25.346 -13.475
  100    HG3  ARG 764           HG3      ARG 764  11.049 -23.786 -13.915
  101    HD2  ARG 764           HD2      ARG 764  13.337 -25.053 -13.711
  102    HD3  ARG 764           HD3      ARG 764  12.332 -26.496 -13.927
  103    HE   ARG 764           HE       ARG 764  12.239 -24.137 -15.786
  104   HH11  ARG 764          HH11      ARG 764  12.686 -27.640 -15.490
  105   HH12  ARG 764          HH12      ARG 764  12.676 -27.869 -17.214
  106   HH21  ARG 764          HH21      ARG 764  12.243 -24.511 -17.967
  107   HH22  ARG 764          HH22      ARG 764  12.441 -26.123 -18.589
  108    H    VAL 765           H        VAL 765   8.301 -24.016 -12.670
  109    HA   VAL 765           HA       VAL 765   6.746 -25.249 -10.442
  110    HB   VAL 765           HB       VAL 765   4.727 -24.072 -11.286
  111   HG11  VAL 765          HG11      VAL 765   5.927 -23.156  -9.332
  112   HG12  VAL 765          HG12      VAL 765   6.941 -22.165 -10.404
  113   HG13  VAL 765          HG13      VAL 765   5.207 -21.863 -10.301
  114   HG21  VAL 765          HG21      VAL 765   4.853 -22.156 -12.754
  115   HG22  VAL 765          HG22      VAL 765   6.613 -22.303 -12.885
  116   HG23  VAL 765          HG23      VAL 765   5.564 -23.536 -13.596
  117    H    VAL 766           H        VAL 766   4.829 -26.406 -11.241
  118    HA   VAL 766           HA       VAL 766   5.339 -27.831 -13.815
  119    HB   VAL 766           HB       VAL 766   6.407 -29.157 -12.203
  120   HG11  VAL 766          HG11      VAL 766   5.404 -30.114 -10.212
  121   HG12  VAL 766          HG12      VAL 766   5.454 -28.367 -10.103
  122   HG13  VAL 766          HG13      VAL 766   3.910 -29.193 -10.462
  123   HG21  VAL 766          HG21      VAL 766   3.708 -30.478 -12.650
  124   HG22  VAL 766          HG22      VAL 766   5.005 -30.350 -13.870
  125   HG23  VAL 766          HG23      VAL 766   5.263 -31.267 -12.373
  126    H    THR 767           H        THR 767   3.617 -28.196 -14.992
  127    HA   THR 767           HA       THR 767   0.885 -27.972 -13.803
  128    HB   THR 767           HB       THR 767   1.776 -27.883 -16.704
  129    HG1  THR 767           HG1      THR 767   2.103 -25.952 -15.643
  130   HG21  THR 767          HG21      THR 767  -0.604 -27.329 -17.175
  131   HG22  THR 767          HG22      THR 767  -1.029 -27.679 -15.481
  132   HG23  THR 767          HG23      THR 767  -0.443 -28.972 -16.548
  133    H    CYS 768           H        CYS 768  -0.085 -29.813 -13.323
  134    HA   CYS 768           HA       CYS 768   0.793 -32.439 -14.347
  135    HB2  CYS 768           HB2      CYS 768  -0.161 -32.201 -12.062
  136    HB3  CYS 768           HB3      CYS 768  -1.681 -31.635 -12.777
  137    H    LYS 769           H        LYS 769   0.233 -33.090 -16.362
  138    HA   LYS 769           HA       LYS 769  -1.713 -31.567 -17.944
  139    HB2  LYS 769           HB2      LYS 769  -0.114 -34.086 -18.611
  140    HB3  LYS 769           HB3      LYS 769  -1.003 -33.098 -19.762
  141    HG2  LYS 769           HG2      LYS 769   1.486 -32.318 -18.202
  142    HG3  LYS 769           HG3      LYS 769   1.370 -32.621 -19.920
  143    HD2  LYS 769           HD2      LYS 769   0.151 -30.286 -18.389
  144    HD3  LYS 769           HD3      LYS 769   1.534 -30.219 -19.468
  145    HE2  LYS 769           HE2      LYS 769  -1.322 -30.899 -20.313
  146    HE3  LYS 769           HE3      LYS 769  -0.558 -29.321 -20.486
  147    HZ1  LYS 769           HZ1      LYS 769   0.374 -31.793 -21.838
  148    HZ2  LYS 769           HZ2      LYS 769   1.081 -30.326 -21.976
  149    HZ3  LYS 769           HZ3      LYS 769  -0.439 -30.569 -22.538
  150    H    THR 770           H        THR 770  -1.820 -34.424 -15.985
  151    HA   THR 770           HA       THR 770  -4.179 -35.618 -17.205
  152    HB   THR 770           HB       THR 770  -2.981 -36.045 -14.450
  153    HG1  THR 770           HG1      THR 770  -2.600 -37.497 -16.868
  154   HG21  THR 770          HG21      THR 770  -4.032 -38.289 -14.654
  155   HG22  THR 770          HG22      THR 770  -4.841 -37.769 -16.142
  156   HG23  THR 770          HG23      THR 770  -5.232 -36.994 -14.587
  157    H    CYS 771           H        CYS 771  -3.672 -33.607 -14.233
  158    HA   CYS 771           HA       CYS 771  -6.599 -33.360 -13.883
  159    HB2  CYS 771           HB2      CYS 771  -4.253 -32.357 -12.218
  160    HB3  CYS 771           HB3      CYS 771  -5.956 -32.334 -11.749
  161    H    LYS 772           H        LYS 772  -3.983 -31.445 -15.141
  162    HA   LYS 772           HA       LYS 772  -3.838 -29.475 -16.174
  163    HB2  LYS 772           HB2      LYS 772  -6.847 -29.163 -16.011
  164    HB3  LYS 772           HB3      LYS 772  -5.730 -28.294 -17.033
  165    HG2  LYS 772           HG2      LYS 772  -6.146 -29.773 -18.632
  166    HG3  LYS 772           HG3      LYS 772  -5.126 -30.899 -17.740
  167    HD2  LYS 772           HD2      LYS 772  -7.181 -31.788 -16.598
  168    HD3  LYS 772           HD3      LYS 772  -8.155 -30.590 -17.455
  169    HE2  LYS 772           HE2      LYS 772  -8.448 -32.593 -18.662
  170    HE3  LYS 772           HE3      LYS 772  -7.353 -31.609 -19.640
  171    HZ1  LYS 772           HZ1      LYS 772  -6.525 -33.812 -17.820
  172    HZ2  LYS 772           HZ2      LYS 772  -5.496 -32.953 -18.766
  173    HZ3  LYS 772           HZ3      LYS 772  -6.620 -33.929 -19.445
  174    H    TYR 773           H        TYR 773  -3.614 -29.604 -13.253
  175    HA   TYR 773           HA       TYR 773  -4.068 -26.717 -12.562
  176    HB2  TYR 773           HB2      TYR 773  -3.913 -27.189 -10.299
  177    HB3  TYR 773           HB3      TYR 773  -4.996 -28.404 -10.962
  178    HD1  TYR 773           HD2      TYR 773  -1.512 -27.787  -9.687
  179    HD2  TYR 773           HD1      TYR 773  -4.501 -30.736 -10.679
  180    HE1  TYR 773           HE2      TYR 773  -0.067 -29.574  -8.745
  181    HE2  TYR 773           HE1      TYR 773  -3.115 -32.496  -9.612
  182    HH   TYR 773           HH       TYR 773  -1.043 -33.030  -8.736
  183    H    THR 774           H        THR 774  -2.328 -25.544 -11.554
  184    HA   THR 774           HA       THR 774   0.431 -26.540 -12.159
  185    HB   THR 774           HB       THR 774  -0.388 -23.629 -12.092
  186    HG1  THR 774           HG1      THR 774   0.039 -25.185 -14.434
  187   HG21  THR 774          HG21      THR 774   2.041 -24.101 -11.833
  188   HG22  THR 774          HG22      THR 774   1.692 -23.318 -13.375
  189   HG23  THR 774          HG23      THR 774   2.018 -25.062 -13.314
  190    H    HIS 775           H        HIS 775   1.931 -26.422 -10.580
  191    HA   HIS 775           HA       HIS 775   1.721 -24.728  -8.218
  192    HB2  HIS 775           HB2      HIS 775   0.919 -27.579  -8.094
  193    HB3  HIS 775           HB3      HIS 775   2.198 -27.191  -6.978
  194    HD1  HIS 775           HD1      HIS 775   1.613 -25.415  -4.990
  195    HD2  HIS 775           HD2      HIS 775  -1.524 -26.624  -7.522
  196    HE1  HIS 775           HE1      HIS 775  -0.555 -24.776  -3.797
  197    H    PHE 776           H        PHE 776   3.768 -25.272  -6.748
  198    HA   PHE 776           HA       PHE 776   6.118 -25.159  -8.403
  199    HB2  PHE 776           HB2      PHE 776   6.989 -25.642  -5.784
  200    HB3  PHE 776           HB3      PHE 776   6.832 -24.106  -6.606
  201    HD1  PHE 776           HD1      PHE 776   4.983 -22.620  -6.191
  202    HD2  PHE 776           HD2      PHE 776   5.196 -26.438  -4.231
  203    HE1  PHE 776           HE1      PHE 776   3.074 -21.967  -4.738
  204    HE2  PHE 776           HE2      PHE 776   3.290 -25.793  -2.763
  205    HZ   PHE 776           HZ       PHE 776   2.213 -23.574  -3.042
  206    H    LYS 777           H        LYS 777   4.608 -27.781  -6.567
  207    HA   LYS 777           HA       LYS 777   6.355 -29.741  -7.940
  208    HB2  LYS 777           HB2      LYS 777   5.642 -29.729  -4.971
  209    HB3  LYS 777           HB3      LYS 777   6.382 -31.094  -5.815
  210    HG2  LYS 777           HG2      LYS 777   8.375 -29.712  -6.353
  211    HG3  LYS 777           HG3      LYS 777   7.651 -28.332  -5.510
  212    HD2  LYS 777           HD2      LYS 777   7.594 -29.613  -3.415
  213    HD3  LYS 777           HD3      LYS 777   8.304 -31.021  -4.242
  214    HE2  LYS 777           HE2      LYS 777  10.305 -29.650  -4.812
  215    HE3  LYS 777           HE3      LYS 777   9.600 -28.265  -3.959
  216    HZ1  LYS 777           HZ1      LYS 777  10.342 -30.858  -2.707
  217    HZ2  LYS 777           HZ2      LYS 777   9.669 -29.595  -1.913
  218    HZ3  LYS 777           HZ3      LYS 777  11.164 -29.454  -2.545
  219    HA   PRO 778           HA       PRO 778   2.402 -31.805  -8.570
  220    HB2  PRO 778           HB2      PRO 778   3.648 -34.478  -8.364
  221    HB3  PRO 778           HB3      PRO 778   2.899 -33.693  -9.785
  222    HG2  PRO 778           HG2      PRO 778   5.617 -34.108  -9.576
  223    HG3  PRO 778           HG3      PRO 778   4.900 -32.694 -10.422
  224    HD2  PRO 778           HD2      PRO 778   5.974 -32.837  -7.586
  225    HD3  PRO 778           HD3      PRO 778   6.313 -31.623  -8.856
  226    H    LYS 779           H        LYS 779   0.797 -32.978  -7.348
  227    HA   LYS 779           HA       LYS 779   1.137 -33.135  -4.484
  228    HB2  LYS 779           HB2      LYS 779  -1.034 -34.079  -6.389
  229    HB3  LYS 779           HB3      LYS 779  -1.136 -34.258  -4.641
  230    HG2  LYS 779           HG2      LYS 779  -1.109 -31.883  -4.273
  231    HG3  LYS 779           HG3      LYS 779  -0.746 -31.559  -5.975
  232    HD2  LYS 779           HD2      LYS 779  -3.104 -31.132  -5.532
  233    HD3  LYS 779           HD3      LYS 779  -2.924 -32.501  -6.651
  234    HE2  LYS 779           HE2      LYS 779  -3.251 -34.073  -4.740
  235    HE3  LYS 779           HE3      LYS 779  -3.458 -32.693  -3.651
  236    HZ1  LYS 779           HZ1      LYS 779  -5.217 -33.367  -5.937
  237    HZ2  LYS 779           HZ2      LYS 779  -5.424 -32.065  -4.966
  238    HZ3  LYS 779           HZ3      LYS 779  -5.588 -33.576  -4.370
  239    H    GLU 780           H        GLU 780   0.828 -35.007  -3.140
  240    HA   GLU 780           HA       GLU 780   2.486 -37.238  -3.700
  241    HB2  GLU 780           HB2      GLU 780   0.180 -36.947  -1.731
  242    HB3  GLU 780           HB3      GLU 780   1.325 -38.283  -1.726
  243    HG2  GLU 780           HG2      GLU 780   2.049 -35.344  -1.296
  244    HG3  GLU 780           HG3      GLU 780   1.862 -36.546  -0.031
  245    H    THR 781           H        THR 781  -1.038 -36.808  -4.185
  246    HA   THR 781           HA       THR 781  -1.635 -39.483  -5.041
  247    HB   THR 781           HB       THR 781  -3.593 -38.293  -6.180
  248    HG1  THR 781           HG1      THR 781  -2.923 -36.231  -6.415
  249   HG21  THR 781          HG21      THR 781  -3.148 -37.820  -3.195
  250   HG22  THR 781          HG22      THR 781  -3.753 -39.312  -3.949
  251   HG23  THR 781          HG23      THR 781  -4.714 -37.826  -4.034
  252    H    CYS 782           H        CYS 782  -0.610 -36.564  -6.825
  253    HA   CYS 782           HA       CYS 782  -0.860 -37.751  -9.406
  254    HB2  CYS 782           HB2      CYS 782   0.739 -35.336  -8.399
  255    HB3  CYS 782           HB3      CYS 782   0.492 -35.748 -10.094
  256    H    VAL 783           H        VAL 783   1.912 -37.486  -7.180
  257    HA   VAL 783           HA       VAL 783   3.760 -38.865  -8.947
  258    HB   VAL 783           HB       VAL 783   3.883 -38.548  -5.922
  259   HG11  VAL 783          HG11      VAL 783   6.327 -39.023  -6.226
  260   HG12  VAL 783          HG12      VAL 783   5.329 -40.417  -6.636
  261   HG13  VAL 783          HG13      VAL 783   6.026 -39.413  -7.934
  262   HG21  VAL 783          HG21      VAL 783   5.539 -36.759  -6.435
  263   HG22  VAL 783          HG22      VAL 783   5.238 -36.983  -8.175
  264   HG23  VAL 783          HG23      VAL 783   3.958 -36.375  -7.119
  265    H    SER 784           H        SER 784   1.612 -40.022  -6.261
  266    HA   SER 784           HA       SER 784   2.464 -42.747  -6.365
  267    HB2  SER 784           HB2      SER 784   1.311 -41.642  -4.457
  268    HB3  SER 784           HB3      SER 784  -0.179 -41.562  -5.420
  269    HG   SER 784           HG       SER 784   1.174 -43.874  -4.443
  270    H    GLU 785           H        GLU 785  -0.321 -41.158  -7.995
  271    HA   GLU 785           HA       GLU 785  -1.160 -43.626  -9.323
  272    HB2  GLU 785           HB2      GLU 785  -1.995 -40.710  -9.662
  273    HB3  GLU 785           HB3      GLU 785  -2.711 -42.067 -10.531
  274    HG2  GLU 785           HG2      GLU 785  -3.446 -43.077  -8.401
  275    HG3  GLU 785           HG3      GLU 785  -2.753 -41.725  -7.499
  276    H    ASN 786           H        ASN 786   1.372 -41.463  -9.953
  277    HA   ASN 786           HA       ASN 786   2.814 -41.160 -11.631
  278    HB2  ASN 786           HB2      ASN 786   1.636 -43.619 -12.991
  279    HB3  ASN 786           HB3      ASN 786   3.227 -42.913 -13.227
  280   HD21  ASN 786          HD21      ASN 786   4.422 -42.632 -10.862
  281   HD22  ASN 786          HD22      ASN 786   4.409 -44.132  -9.950
  282    H    HIS 787           H        HIS 787   0.709 -39.472 -11.747
  283    HA   HIS 787           HA       HIS 787  -0.463 -39.167 -14.389
  284    HB2  HIS 787           HB2      HIS 787   0.126 -37.153 -12.182
  285    HB3  HIS 787           HB3      HIS 787  -0.741 -36.784 -13.672
  286    HD2  HIS 787           HD2      HIS 787  -1.928 -40.132 -12.578
  287    HE1  HIS 787           HE1      HIS 787  -4.595 -37.465 -10.617
  288    HE2  HIS 787           HE2      HIS 787  -4.136 -39.901 -11.199
  289    H    ASP 788           H        ASP 788   0.109 -37.541 -15.978
  290    HA   ASP 788           HA       ASP 788   3.064 -37.312 -16.376
  291    HB2  ASP 788           HB2      ASP 788   0.689 -36.903 -18.225
  292    HB3  ASP 788           HB3      ASP 788   2.351 -36.487 -18.647
  293    H    PHE 789           H        PHE 789   4.122 -35.368 -16.358
  294    HA   PHE 789           HA       PHE 789   2.555 -32.874 -16.115
  295    HB2  PHE 789           HB2      PHE 789   4.787 -32.591 -14.398
  296    HB3  PHE 789           HB3      PHE 789   3.088 -32.482 -14.003
  297    HD1  PHE 789           HD1      PHE 789   1.875 -34.478 -13.076
  298    HD2  PHE 789           HD2      PHE 789   6.152 -34.358 -13.608
  299    HE1  PHE 789           HE1      PHE 789   2.149 -36.298 -11.403
  300    HE2  PHE 789           HE2      PHE 789   6.407 -36.183 -11.936
  301    HZ   PHE 789           HZ       PHE 789   4.409 -37.143 -10.827
  302    H    HIS 790           H        HIS 790   3.755 -30.902 -16.295
  303    HA   HIS 790           HA       HIS 790   6.245 -31.097 -17.904
  304    HB2  HIS 790           HB2      HIS 790   3.880 -30.880 -19.180
  305    HB3  HIS 790           HB3      HIS 790   4.102 -29.181 -18.805
  306    HD1  HIS 790           HD1      HIS 790   6.108 -27.972 -20.260
  307    HD2  HIS 790           HD2      HIS 790   5.686 -32.135 -20.680
  308    HE1  HIS 790           HE1      HIS 790   7.609 -28.639 -22.214
  309    H    TRP 791           H        TRP 791   7.708 -29.470 -17.594
  310    HA   TRP 791           HA       TRP 791   7.143 -27.661 -15.321
  311    HB2  TRP 791           HB2      TRP 791   9.702 -28.807 -16.471
  312    HB3  TRP 791           HB3      TRP 791   9.653 -27.609 -15.185
  313    HD1  TRP 791           HD1      TRP 791   8.665 -31.258 -15.849
  314    HE1  TRP 791           HE1      TRP 791   8.429 -32.507 -13.621
  315    HE3  TRP 791           HE3      TRP 791   9.300 -27.313 -12.640
  316    HZ2  TRP 791           HZ2      TRP 791   8.404 -31.860 -10.806
  317    HZ3  TRP 791           HZ3      TRP 791   9.136 -27.656 -10.185
  318    HH2  TRP 791           HH2      TRP 791   8.680 -29.921  -9.261
  319    H    HIS 792           H        HIS 792   7.873 -25.574 -15.201
  320    HA   HIS 792           HA       HIS 792   8.951 -23.961 -17.315
  321    HB2  HIS 792           HB2      HIS 792   6.944 -22.661 -17.837
  322    HB3  HIS 792           HB3      HIS 792   6.735 -24.324 -18.319
  323    HD1  HIS 792           HD1      HIS 792   4.925 -21.701 -16.493
  324    HD2  HIS 792           HD2      HIS 792   5.222 -25.895 -16.403
  325    HE1  HIS 792           HE1      HIS 792   2.830 -22.556 -15.325
  326    H    ASN 793           H        ASN 793   8.282 -21.429 -16.508
  327    HA   ASN 793           HA       ASN 793   9.019 -21.441 -13.598
  328    HB2  ASN 793           HB2      ASN 793   9.886 -19.669 -15.897
  329    HB3  ASN 793           HB3      ASN 793  10.160 -19.267 -14.205
  330   HD21  ASN 793          HD21      ASN 793  11.771 -20.374 -13.018
  331   HD22  ASN 793          HD22      ASN 793  12.850 -21.537 -13.770
  332    H    GLY 794           H        GLY 794   8.291 -19.882 -12.188
  333    HA2  GLY 794           HA2      GLY 794   6.255 -17.883 -12.920
  334    HA3  GLY 794           HA3      GLY 794   5.644 -19.270 -12.031
  335    H    VAL 795           H        VAL 795   5.054 -17.461 -10.540
  336    HA   VAL 795           HA       VAL 795   7.153 -17.085  -8.449
  337    HB   VAL 795           HB       VAL 795   5.197 -14.935  -9.375
  338   HG11  VAL 795          HG11      VAL 795   7.208 -14.862  -7.077
  339   HG12  VAL 795          HG12      VAL 795   6.312 -13.467  -7.683
  340   HG13  VAL 795          HG13      VAL 795   5.443 -14.802  -6.914
  341   HG21  VAL 795          HG21      VAL 795   7.199 -13.609  -9.921
  342   HG22  VAL 795          HG22      VAL 795   8.233 -14.967  -9.458
  343   HG23  VAL 795          HG23      VAL 795   7.156 -15.098 -10.862
  344    H    LYS 796           H        LYS 796   6.499 -17.501  -6.440
  345    HA   LYS 796           HA       LYS 796   3.760 -18.598  -6.075
  346    HB2  LYS 796           HB2      LYS 796   4.700 -19.966  -4.383
  347    HB3  LYS 796           HB3      LYS 796   5.795 -19.986  -5.762
  348    HG2  LYS 796           HG2      LYS 796   7.013 -18.004  -4.436
  349    HG3  LYS 796           HG3      LYS 796   6.154 -18.658  -3.046
  350    HD2  LYS 796           HD2      LYS 796   8.064 -20.141  -4.906
  351    HD3  LYS 796           HD3      LYS 796   8.443 -19.568  -3.277
  352    HE2  LYS 796           HE2      LYS 796   6.713 -21.077  -2.330
  353    HE3  LYS 796           HE3      LYS 796   6.322 -21.664  -3.960
  354    HZ1  LYS 796           HZ1      LYS 796   8.945 -21.995  -2.623
  355    HZ2  LYS 796           HZ2      LYS 796   8.596 -22.501  -4.131
  356    HZ3  LYS 796           HZ3      LYS 796   7.839 -23.177  -2.852
  357    H    ARG 797           H        ARG 797   2.770 -18.476  -3.960
  358    HA   ARG 797           HA       ARG 797   2.850 -15.743  -2.725
  359    HB2  ARG 797           HB2      ARG 797   0.431 -17.402  -3.577
  360    HB3  ARG 797           HB3      ARG 797   0.368 -15.803  -2.856
  361    HG2  ARG 797           HG2      ARG 797   1.644 -16.408  -5.577
  362    HG3  ARG 797           HG3      ARG 797  -0.016 -15.883  -5.359
  363    HD2  ARG 797           HD2      ARG 797   0.511 -13.722  -4.873
  364    HD3  ARG 797           HD3      ARG 797   1.954 -14.178  -3.966
  365    HE   ARG 797           HE       ARG 797   3.071 -13.358  -5.712
  366   HH11  ARG 797          HH11      ARG 797   0.516 -15.278  -7.313
  367   HH12  ARG 797          HH12      ARG 797   1.120 -14.817  -8.879
  368   HH21  ARG 797          HH21      ARG 797   3.716 -12.865  -7.578
  369   HH22  ARG 797          HH22      ARG 797   2.965 -13.451  -9.060
  370    H    PHE 798           H        PHE 798   2.953 -15.818  -0.578
  371    HA   PHE 798           HA       PHE 798   2.620 -18.392   0.843
  372    HB2  PHE 798           HB2      PHE 798   3.807 -15.785   1.849
  373    HB3  PHE 798           HB3      PHE 798   3.974 -17.373   2.559
  374    HD1  PHE 798           HD1      PHE 798   4.980 -19.205   0.760
  375    HD2  PHE 798           HD2      PHE 798   5.792 -14.975   0.850
  376    HE1  PHE 798           HE1      PHE 798   7.169 -19.588  -0.357
  377    HE2  PHE 798           HE2      PHE 798   7.967 -15.359  -0.136
  378    HZ   PHE 798           HZ       PHE 798   8.664 -17.671  -0.832
  379    H    PHE 799           H        PHE 799   1.163 -18.765   2.446
  380    HA   PHE 799           HA       PHE 799  -0.605 -16.543   3.367
  381    HB2  PHE 799           HB2      PHE 799  -1.500 -19.334   2.601
  382    HB3  PHE 799           HB3      PHE 799  -2.524 -18.040   3.240
  383    HD1  PHE 799           HD1      PHE 799  -3.162 -16.129   1.866
  384    HD2  PHE 799           HD2      PHE 799  -0.663 -19.259   0.276
  385    HE1  PHE 799           HE1      PHE 799  -3.450 -15.196  -0.424
  386    HE2  PHE 799           HE2      PHE 799  -0.971 -18.332  -2.010
  387    HZ   PHE 799           HZ       PHE 799  -2.322 -16.288  -2.358
  388    H    LYS 800           H        LYS 800  -1.604 -16.753   5.333
  389    HA   LYS 800           HA       LYS 800  -0.647 -18.824   7.257
  390    HB2  LYS 800           HB2      LYS 800   0.726 -16.786   7.485
  391    HB3  LYS 800           HB3      LYS 800  -0.735 -15.802   7.663
  392    HG2  LYS 800           HG2      LYS 800  -1.266 -16.867   9.792
  393    HG3  LYS 800           HG3      LYS 800   0.056 -18.025   9.592
  394    HD2  LYS 800           HD2      LYS 800   1.699 -16.154   9.689
  395    HD3  LYS 800           HD3      LYS 800   0.349 -14.999   9.863
  396    HE2  LYS 800           HE2      LYS 800  -0.357 -16.188  11.955
  397    HE3  LYS 800           HE3      LYS 800   1.019 -17.279  11.789
  398    HZ1  LYS 800           HZ1      LYS 800   1.198 -14.339  12.163
  399    HZ2  LYS 800           HZ2      LYS 800   2.483 -15.327  11.998
  400    HZ3  LYS 800           HZ3      LYS 800   1.514 -15.460  13.308
  401    H    CYS 801           H        CYS 801  -2.055 -19.469   8.788
  402    HA   CYS 801           HA       CYS 801  -4.893 -18.573   8.683
  403    HB2  CYS 801           HB2      CYS 801  -4.260 -20.976   8.225
  404    HB3  CYS 801           HB3      CYS 801  -3.556 -21.053   9.847
  405    HA   PRO 802           HA       PRO 802  -4.305 -16.553  12.607
  406    HB2  PRO 802           HB2      PRO 802  -6.764 -16.991  13.885
  407    HB3  PRO 802           HB3      PRO 802  -6.392 -15.722  12.681
  408    HG2  PRO 802           HG2      PRO 802  -7.632 -18.453  12.207
  409    HG3  PRO 802           HG3      PRO 802  -8.163 -16.862  11.563
  410    HD2  PRO 802           HD2      PRO 802  -6.711 -18.467  10.023
  411    HD3  PRO 802           HD3      PRO 802  -6.280 -16.747  10.088
  412    H    CYS 803           H        CYS 803  -5.014 -20.034  12.706
  413    HA   CYS 803           HA       CYS 803  -4.396 -20.305  15.538
  414    HB2  CYS 803           HB2      CYS 803  -4.558 -22.659  15.154
  415    HB3  CYS 803           HB3      CYS 803  -5.892 -21.863  14.322
  416    H    GLY 804           H        GLY 804  -2.469 -19.708  12.814
  417    HA2  GLY 804           HA2      GLY 804  -0.124 -19.261  12.980
  418    HA3  GLY 804           HA3      GLY 804   0.065 -20.569  14.171
  419    H    ASN 805           H        ASN 805  -1.887 -21.993  11.962
  420    HA   ASN 805           HA       ASN 805   0.215 -23.464  10.665
  421    HB2  ASN 805           HB2      ASN 805  -2.070 -24.330  11.205
  422    HB3  ASN 805           HB3      ASN 805  -2.732 -23.298   9.932
  423   HD21  ASN 805          HD21      ASN 805  -3.563 -25.216   8.839
  424   HD22  ASN 805          HD22      ASN 805  -2.436 -26.238   7.936
  425    H    ARG 806           H        ARG 806   0.647 -23.610   8.381
  426    HA   ARG 806           HA       ARG 806   0.430 -21.031   6.861
  427    HB2  ARG 806           HB2      ARG 806   2.877 -22.813   7.240
  428    HB3  ARG 806           HB3      ARG 806   2.802 -21.428   6.164
  429    HG2  ARG 806           HG2      ARG 806   2.564 -21.372   9.208
  430    HG3  ARG 806           HG3      ARG 806   3.976 -20.924   8.255
  431    HD2  ARG 806           HD2      ARG 806   1.300 -19.489   8.267
  432    HD3  ARG 806           HD3      ARG 806   2.777 -18.923   9.021
  433    HE   ARG 806           HE       ARG 806   2.059 -18.855   6.179
  434   HH11  ARG 806          HH11      ARG 806   4.799 -18.555   8.421
  435   HH12  ARG 806          HH12      ARG 806   5.804 -17.792   7.219
  436   HH21  ARG 806          HH21      ARG 806   3.407 -17.903   4.711
  437   HH22  ARG 806          HH22      ARG 806   5.022 -17.409   5.159
  438    H    THR 807           H        THR 807   0.589 -21.172   4.603
  439    HA   THR 807           HA       THR 807   1.110 -23.641   3.248
  440    HB   THR 807           HB       THR 807  -1.376 -23.852   3.914
  441    HG1  THR 807           HG1      THR 807  -0.327 -25.171   2.472
  442   HG21  THR 807          HG21      THR 807  -2.042 -21.542   3.128
  443   HG22  THR 807          HG22      THR 807  -3.006 -22.869   2.471
  444   HG23  THR 807          HG23      THR 807  -1.781 -22.094   1.457
  445    H    ILE 808           H        ILE 808   0.573 -23.294   0.788
  446    HA   ILE 808           HA       ILE 808   1.488 -20.603  -0.083
  447    HB   ILE 808           HB       ILE 808   3.031 -23.112  -0.853
  448   HG12  ILE 808          HG12      ILE 808   3.781 -21.105   1.301
  449   HG13  ILE 808          HG13      ILE 808   3.439 -22.815   1.536
  450   HG21  ILE 808          HG21      ILE 808   4.647 -21.593  -1.811
  451   HG22  ILE 808          HG22      ILE 808   3.091 -21.119  -2.423
  452   HG23  ILE 808          HG23      ILE 808   3.832 -20.178  -1.118
  453   HD11  ILE 808          HD11      ILE 808   5.859 -21.684   0.108
  454   HD12  ILE 808          HD12      ILE 808   5.796 -22.544   1.652
  455   HD13  ILE 808          HD13      ILE 808   5.422 -23.412   0.149
  456    H    SER 809           H        SER 809   1.010 -20.185  -2.281
  457    HA   SER 809           HA       SER 809  -0.036 -22.346  -4.002
  458    HB2  SER 809           HB2      SER 809  -2.040 -21.453  -2.796
  459    HB3  SER 809           HB3      SER 809  -1.706 -19.856  -3.498
  460    HG   SER 809           HG       SER 809  -3.256 -21.297  -4.656
  461    H    LEU 810           H        LEU 810  -0.530 -21.328  -6.244
  462    HA   LEU 810           HA       LEU 810   1.434 -19.169  -6.937
  463    HB2  LEU 810           HB2      LEU 810  -0.132 -21.059  -8.743
  464    HB3  LEU 810           HB3      LEU 810   0.992 -19.814  -9.272
  465    HG   LEU 810           HG       LEU 810   1.701 -22.353  -7.723
  466   HD11  LEU 810          HD11      LEU 810   1.167 -22.622 -10.127
  467   HD12  LEU 810          HD12      LEU 810   2.868 -22.969  -9.765
  468   HD13  LEU 810          HD13      LEU 810   2.414 -21.437 -10.537
  469   HD21  LEU 810          HD21      LEU 810   3.515 -20.061  -8.612
  470   HD22  LEU 810          HD22      LEU 810   4.077 -21.658  -8.093
  471   HD23  LEU 810          HD23      LEU 810   3.225 -20.605  -6.952
  472    H    ASP 811           H        ASP 811  -1.888 -19.801  -6.304
  473    HA   ASP 811           HA       ASP 811  -2.916 -17.539  -7.905
  474    HB2  ASP 811           HB2      ASP 811  -4.007 -19.859  -7.580
  475    HB3  ASP 811           HB3      ASP 811  -4.461 -19.289  -5.978
  476    H    ARG 812           H        ARG 812  -4.467 -16.065  -6.826
  477    HA   ARG 812           HA       ARG 812  -3.130 -14.520  -4.813
  478    HB2  ARG 812           HB2      ARG 812  -4.995 -12.988  -5.003
  479    HB3  ARG 812           HB3      ARG 812  -4.438 -13.499  -6.591
  480    HG2  ARG 812           HG2      ARG 812  -6.341 -15.075  -6.785
  481    HG3  ARG 812           HG3      ARG 812  -6.892 -14.619  -5.157
  482    HD2  ARG 812           HD2      ARG 812  -7.171 -12.272  -5.939
  483    HD3  ARG 812           HD3      ARG 812  -6.644 -12.767  -7.563
  484    HE   ARG 812           HE       ARG 812  -8.797 -14.428  -6.767
  485   HH11  ARG 812          HH11      ARG 812  -8.309 -11.053  -7.694
  486   HH12  ARG 812          HH12      ARG 812  -9.930 -10.877  -8.305
  487   HH21  ARG 812          HH21      ARG 812 -10.879 -14.148  -7.551
  488   HH22  ARG 812          HH22      ARG 812 -11.363 -12.612  -8.215
  489    H    LEU 813           H        LEU 813  -5.222 -17.168  -4.388
  490    HA   LEU 813           HA       LEU 813  -5.061 -16.998  -1.530
  491    HB2  LEU 813           HB2      LEU 813  -7.105 -15.517  -2.140
  492    HB3  LEU 813           HB3      LEU 813  -7.873 -16.983  -2.714
  493    HG   LEU 813           HG       LEU 813  -7.558 -17.933  -0.347
  494   HD11  LEU 813          HD11      LEU 813  -6.931 -15.002   0.265
  495   HD12  LEU 813          HD12      LEU 813  -5.789 -16.340   0.454
  496   HD13  LEU 813          HD13      LEU 813  -7.235 -16.263   1.467
  497   HD21  LEU 813          HD21      LEU 813  -9.711 -17.056  -1.173
  498   HD22  LEU 813          HD22      LEU 813  -9.238 -15.408  -0.702
  499   HD23  LEU 813          HD23      LEU 813  -9.481 -16.664   0.540
  500    HA   PRO 814           HA       PRO 814  -5.268 -21.392  -2.661
  501    HB2  PRO 814           HB2      PRO 814  -5.097 -22.585  -0.222
  502    HB3  PRO 814           HB3      PRO 814  -3.703 -21.725  -0.960
  503    HG2  PRO 814           HG2      PRO 814  -5.705 -20.668   1.052
  504    HG3  PRO 814           HG3      PRO 814  -3.914 -20.583   1.153
  505    HD2  PRO 814           HD2      PRO 814  -5.428 -18.521   0.240
  506    HD3  PRO 814           HD3      PRO 814  -3.847 -18.896  -0.497
  507    H    LYS 815           H        LYS 815  -6.752 -23.140  -2.574
  508    HA   LYS 815           HA       LYS 815  -9.519 -22.357  -1.803
  509    HB2  LYS 815           HB2      LYS 815 -10.288 -23.887  -3.395
  510    HB3  LYS 815           HB3      LYS 815  -8.989 -22.997  -4.156
  511    HG2  LYS 815           HG2      LYS 815  -8.786 -25.845  -3.057
  512    HG3  LYS 815           HG3      LYS 815  -9.071 -25.404  -4.731
  513    HD2  LYS 815           HD2      LYS 815  -6.863 -24.255  -4.810
  514    HD3  LYS 815           HD3      LYS 815  -6.530 -24.868  -3.164
  515    HE2  LYS 815           HE2      LYS 815  -6.814 -27.186  -3.930
  516    HE3  LYS 815           HE3      LYS 815  -7.184 -26.618  -5.563
  517    HZ1  LYS 815           HZ1      LYS 815  -4.940 -25.660  -5.667
  518    HZ2  LYS 815           HZ2      LYS 815  -4.860 -27.264  -5.381
  519    HZ3  LYS 815           HZ3      LYS 815  -4.597 -26.198  -4.168
  520    H    LYS 816           H        LYS 816  -7.064 -24.421  -0.663
  521    HA   LYS 816           HA       LYS 816  -8.647 -26.559   0.460
  522    HB2  LYS 816           HB2      LYS 816  -6.504 -26.981   1.759
  523    HB3  LYS 816           HB3      LYS 816  -6.371 -27.022   0.006
  524    HG2  LYS 816           HG2      LYS 816  -5.263 -24.908  -0.076
  525    HG3  LYS 816           HG3      LYS 816  -5.729 -24.492   1.564
  526    HD2  LYS 816           HD2      LYS 816  -3.405 -24.999   1.552
  527    HD3  LYS 816           HD3      LYS 816  -4.225 -26.285   2.437
  528    HE2  LYS 816           HE2      LYS 816  -4.067 -27.770   0.493
  529    HE3  LYS 816           HE3      LYS 816  -3.457 -26.446  -0.518
  530    HZ1  LYS 816           HZ1      LYS 816  -1.501 -26.346   0.929
  531    HZ2  LYS 816           HZ2      LYS 816  -1.636 -27.822   0.227
  532    HZ3  LYS 816           HZ3      LYS 816  -2.048 -27.614   1.809
  533    H    HIS 817           H        HIS 817  -9.325 -26.933   2.603
  534    HA   HIS 817           HA       HIS 817  -9.491 -24.635   4.485
  535    HB2  HIS 817           HB2      HIS 817 -10.522 -27.503   4.527
  536    HB3  HIS 817           HB3      HIS 817 -10.602 -26.416   5.909
  537    HD1  HIS 817           HD1      HIS 817 -11.712 -25.891   2.176
  538    HD2  HIS 817           HD2      HIS 817 -12.924 -25.447   6.171
  539    HE1  HIS 817           HE1      HIS 817 -14.035 -24.846   2.097
  540    H    CYS 818           H        CYS 818  -8.715 -24.948   6.707
  541    HA   CYS 818           HA       CYS 818  -5.935 -25.525   6.776
  542    HB2  CYS 818           HB2      CYS 818  -7.139 -23.829   8.099
  543    HB3  CYS 818           HB3      CYS 818  -7.960 -25.103   9.007
  544    H    SER 819           H        SER 819  -4.755 -27.153   7.587
  545    HA   SER 819           HA       SER 819  -6.025 -29.797   8.078
  546    HB2  SER 819           HB2      SER 819  -3.118 -28.963   7.846
  547    HB3  SER 819           HB3      SER 819  -3.683 -30.619   8.101
  548    HG   SER 819           HG       SER 819  -4.387 -28.954   5.874
  549    H    THR 820           H        THR 820  -5.107 -27.149  10.017
  550    HA   THR 820           HA       THR 820  -4.360 -28.847  12.376
  551    HB   THR 820           HB       THR 820  -4.008 -25.877  11.850
  552    HG1  THR 820           HG1      THR 820  -2.648 -27.329  10.708
  553   HG21  THR 820          HG21      THR 820  -2.554 -25.938  13.868
  554   HG22  THR 820          HG22      THR 820  -3.115 -27.587  14.222
  555   HG23  THR 820          HG23      THR 820  -4.250 -26.223  14.268
  556    H    CYS 821           H        CYS 821  -6.669 -26.252  11.432
  557    HA   CYS 821           HA       CYS 821  -8.289 -27.000  13.834
  558    HB2  CYS 821           HB2      CYS 821  -8.899 -24.734  14.125
  559    HB3  CYS 821           HB3      CYS 821  -7.150 -24.841  14.110
  560    H    GLY 822           H        GLY 822  -8.422 -26.688  10.409
  561    HA2  GLY 822           HA2      GLY 822  -9.978 -27.905   9.149
  562    HA3  GLY 822           HA3      GLY 822 -11.090 -27.905  10.523
  563    H    LEU 823           H        LEU 823 -10.406 -24.709  10.212
  564    HA   LEU 823           HA       LEU 823 -12.807 -24.230   8.533
  565    HB2  LEU 823           HB2      LEU 823 -12.799 -21.990   9.549
  566    HB3  LEU 823           HB3      LEU 823 -12.924 -23.304  10.687
  567    HG   LEU 823           HG       LEU 823 -10.698 -23.006  11.493
  568   HD11  LEU 823          HD11      LEU 823  -9.396 -22.368   9.552
  569   HD12  LEU 823          HD12      LEU 823  -9.278 -21.053  10.727
  570   HD13  LEU 823          HD13      LEU 823 -10.352 -20.898   9.326
  571   HD21  LEU 823          HD21      LEU 823 -12.490 -21.596  12.424
  572   HD22  LEU 823          HD22      LEU 823 -12.146 -20.331  11.225
  573   HD23  LEU 823          HD23      LEU 823 -10.929 -20.740  12.454
  574    H    PHE 824           H        PHE 824 -12.481 -21.728   7.622
  575    HA   PHE 824           HA       PHE 824 -10.104 -21.721   5.819
  576    HB2  PHE 824           HB2      PHE 824 -12.112 -22.618   4.658
  577    HB3  PHE 824           HB3      PHE 824 -12.985 -21.134   4.999
  578    HD1  PHE 824           HD1      PHE 824 -10.357 -22.745   3.012
  579    HD2  PHE 824           HD2      PHE 824 -12.410 -19.039   3.780
  580    HE1  PHE 824           HE1      PHE 824  -9.388 -21.779   0.951
  581    HE2  PHE 824           HE2      PHE 824 -11.447 -18.067   1.694
  582    HZ   PHE 824           HZ       PHE 824  -9.932 -19.442   0.281
  583    H    LYS 825           H        LYS 825  -9.002 -20.097   6.800
  584    HA   LYS 825           HA       LYS 825 -10.099 -17.348   6.812
  585    HB2  LYS 825           HB2      LYS 825  -8.965 -18.783   9.253
  586    HB3  LYS 825           HB3      LYS 825  -9.134 -17.040   9.166
  587    HG2  LYS 825           HG2      LYS 825 -11.472 -18.972   9.046
  588    HG3  LYS 825           HG3      LYS 825 -10.903 -18.110  10.466
  589    HD2  LYS 825           HD2      LYS 825 -11.374 -15.935   9.356
  590    HD3  LYS 825           HD3      LYS 825 -11.993 -16.808   7.930
  591    HE2  LYS 825           HE2      LYS 825 -13.680 -17.943   9.376
  592    HE3  LYS 825           HE3      LYS 825 -13.087 -17.031  10.768
  593    HZ1  LYS 825           HZ1      LYS 825 -14.293 -15.828   8.343
  594    HZ2  LYS 825           HZ2      LYS 825 -13.761 -14.979   9.634
  595    HZ3  LYS 825           HZ3      LYS 825 -15.036 -15.991   9.782
  596    H    TRP 826           H        TRP 826  -8.125 -18.710   5.112
  597    HA   TRP 826           HA       TRP 826  -5.469 -18.046   5.793
  598    HB2  TRP 826           HB2      TRP 826  -6.765 -18.297   3.057
  599    HB3  TRP 826           HB3      TRP 826  -5.033 -18.217   3.340
  600    HD1  TRP 826           HD1      TRP 826  -7.662 -20.641   2.850
  601    HE1  TRP 826           HE1      TRP 826  -6.948 -23.005   3.484
  602    HE3  TRP 826           HE3      TRP 826  -3.395 -19.487   5.410
  603    HZ2  TRP 826           HZ2      TRP 826  -4.802 -24.246   5.017
  604    HZ3  TRP 826           HZ3      TRP 826  -2.021 -21.286   6.443
  605    HH2  TRP 826           HH2      TRP 826  -2.720 -23.667   6.256
  606    H    GLU 827           H        GLU 827  -4.219 -16.333   5.643
  607    HA   GLU 827           HA       GLU 827  -5.180 -13.773   4.426
  608    HB2  GLU 827           HB2      GLU 827  -5.152 -13.714   6.859
  609    HB3  GLU 827           HB3      GLU 827  -3.487 -14.294   6.916
  610    HG2  GLU 827           HG2      GLU 827  -2.646 -12.263   5.921
  611    HG3  GLU 827           HG3      GLU 827  -4.268 -11.692   5.531
  612    H    ARG 828           H        ARG 828  -3.848 -12.893   2.923
  613    HA   ARG 828           HA       ARG 828  -1.518 -14.297   1.970
  614    HB2  ARG 828           HB2      ARG 828  -2.944 -12.982   0.459
  615    HB3  ARG 828           HB3      ARG 828  -2.600 -11.511   1.354
  616    HG2  ARG 828           HG2      ARG 828  -1.290 -11.497  -0.661
  617    HG3  ARG 828           HG3      ARG 828  -0.207 -11.656   0.712
  618    HD2  ARG 828           HD2      ARG 828  -0.632 -14.316   0.039
  619    HD3  ARG 828           HD3      ARG 828  -0.761 -13.545  -1.533
  620    HE   ARG 828           HE       ARG 828   1.596 -13.774   0.207
  621   HH11  ARG 828          HH11      ARG 828   0.379 -11.945  -2.609
  622   HH12  ARG 828          HH12      ARG 828   2.025 -11.700  -3.181
  623   HH21  ARG 828          HH21      ARG 828   3.614 -13.199  -0.589
  624   HH22  ARG 828          HH22      ARG 828   3.703 -12.361  -2.141
  625    H    VAL 829           H        VAL 829   0.488 -14.196   2.631
  626    HA   VAL 829           HA       VAL 829   1.536 -11.828   4.132
  627    HB   VAL 829           HB       VAL 829   2.801 -13.289   5.641
  628   HG11  VAL 829          HG11      VAL 829   0.620 -12.374   6.361
  629   HG12  VAL 829          HG12      VAL 829  -0.166 -13.874   5.831
  630   HG13  VAL 829          HG13      VAL 829   1.023 -13.914   7.140
  631   HG21  VAL 829          HG21      VAL 829   2.300 -15.659   5.910
  632   HG22  VAL 829          HG22      VAL 829   1.170 -15.612   4.552
  633   HG23  VAL 829          HG23      VAL 829   2.907 -15.364   4.271
  634    H    GLY 830           H        GLY 830   4.062 -12.184   4.365
  635    HA2  GLY 830           HA2      GLY 830   5.168 -12.853   1.645
  636    HA3  GLY 830           HA3      GLY 830   5.823 -11.668   2.794
  637    H    MET 831           H        MET 831   7.475 -13.412   1.672
  638    HA   MET 831           HA       MET 831   8.796 -14.101   4.025
  639    HB2  MET 831           HB2      MET 831   7.577 -16.174   4.100
  640    HB3  MET 831           HB3      MET 831   7.967 -16.532   2.429
  641    HG2  MET 831           HG2      MET 831   9.286 -17.871   3.978
  642    HG3  MET 831           HG3      MET 831  10.307 -16.862   2.979
  643    HE1  MET 831           HE1      MET 831  12.541 -16.971   6.054
  644    HE2  MET 831           HE2      MET 831  11.592 -18.282   5.314
  645    HE3  MET 831           HE3      MET 831  12.398 -17.084   4.283
  646    H    LEU 832           H        LEU 832  10.713 -13.376   3.773
  647    HA   LEU 832           HA       LEU 832  12.590 -14.434   1.991
  648    HB2  LEU 832           HB2      LEU 832  11.104 -12.392   0.704
  649    HB3  LEU 832           HB3      LEU 832  12.523 -11.558   1.287
  650    HG   LEU 832           HG       LEU 832  13.949 -13.318   0.144
  651   HD11  LEU 832          HD11      LEU 832  12.892 -14.730  -1.598
  652   HD12  LEU 832          HD12      LEU 832  11.281 -14.193  -1.064
  653   HD13  LEU 832          HD13      LEU 832  12.299 -15.173   0.004
  654   HD21  LEU 832          HD21      LEU 832  11.995 -11.895  -1.701
  655   HD22  LEU 832          HD22      LEU 832  13.648 -12.405  -2.095
  656   HD23  LEU 832          HD23      LEU 832  13.387 -11.115  -0.906
  657    H    LYS 833           H        LYS 833  14.770 -13.452   2.273
  658    HA   LYS 833           HA       LYS 833  15.132 -12.874   5.089
  659    HB2  LYS 833           HB2      LYS 833  17.488 -13.190   4.641
  660    HB3  LYS 833           HB3      LYS 833  16.571 -14.433   3.792
  661    HG2  LYS 833           HG2      LYS 833  16.789 -13.097   1.671
  662    HG3  LYS 833           HG3      LYS 833  17.731 -11.892   2.572
  663    HD2  LYS 833           HD2      LYS 833  19.453 -13.613   3.072
  664    HD3  LYS 833           HD3      LYS 833  18.486 -14.819   2.222
  665    HE2  LYS 833           HE2      LYS 833  20.250 -14.066   0.750
  666    HE3  LYS 833           HE3      LYS 833  18.683 -13.527   0.114
  667    HZ1  LYS 833           HZ1      LYS 833  20.557 -11.826   1.657
  668    HZ2  LYS 833           HZ2      LYS 833  19.153 -11.313   1.000
  669    HZ3  LYS 833           HZ3      LYS 833  20.381 -11.782   0.031
  670    H    GLU 834           H        GLU 834  14.649 -10.847   2.542
  671    HA   GLU 834           HA       GLU 834  15.993  -8.448   3.662
  672    HB2  GLU 834           HB2      GLU 834  14.248  -8.938   1.211
  673    HB3  GLU 834           HB3      GLU 834  14.582  -7.318   1.817
  674    HG2  GLU 834           HG2      GLU 834  16.143  -7.779   0.061
  675    HG3  GLU 834           HG3      GLU 834  16.992  -7.640   1.584
  676    H    LYS 835           H        LYS 835  15.039  -7.160   5.175
  677    HA   LYS 835           HA       LYS 835  12.378  -7.675   6.150
  678    HB2  LYS 835           HB2      LYS 835  12.731  -5.781   7.638
  679    HB3  LYS 835           HB3      LYS 835  14.096  -6.888   7.639
  680    HG2  LYS 835           HG2      LYS 835  15.322  -5.332   6.083
  681    HG3  LYS 835           HG3      LYS 835  13.987  -4.182   6.226
  682    HD2  LYS 835           HD2      LYS 835  15.703  -5.259   8.509
  683    HD3  LYS 835           HD3      LYS 835  15.950  -3.696   7.733
  684    HE2  LYS 835           HE2      LYS 835  13.401  -4.471   9.234
  685    HE3  LYS 835           HE3      LYS 835  14.753  -3.631   9.972
  686    HZ1  LYS 835           HZ1      LYS 835  13.201  -2.569   7.682
  687    HZ2  LYS 835           HZ2      LYS 835  14.458  -1.814   8.423
  688    HZ3  LYS 835           HZ3      LYS 835  13.074  -2.070   9.244
  689    H    THR 836           H        THR 836  10.477  -6.391   6.093
  690    HA   THR 836           HA       THR 836   9.886  -5.377   3.447
  691    HB   THR 836           HB       THR 836   7.578  -5.103   4.437
  692    HG1  THR 836           HG1      THR 836   7.308  -6.005   6.506
  693   HG21  THR 836          HG21      THR 836   8.878  -7.842   4.861
  694   HG22  THR 836          HG22      THR 836   8.290  -7.202   3.310
  695   HG23  THR 836          HG23      THR 836   7.143  -7.503   4.616
  696    H    GLY 837           H        GLY 837  10.576  -3.780   6.495
  697    HA2  GLY 837           HA2      GLY 837  11.348  -1.453   6.411
  698    HA3  GLY 837           HA3      GLY 837  10.172  -1.123   5.142
  699    HA   PRO 838           HA       PRO 838   8.200   0.592   8.791
  700    HB2  PRO 838           HB2      PRO 838   5.954   1.708   7.700
  701    HB3  PRO 838           HB3      PRO 838   7.598   2.357   7.418
  702    HG2  PRO 838           HG2      PRO 838   6.015   0.488   5.633
  703    HG3  PRO 838           HG3      PRO 838   6.871   2.001   5.177
  704    HD2  PRO 838           HD2      PRO 838   7.998  -0.459   4.855
  705    HD3  PRO 838           HD3      PRO 838   8.978   0.966   5.358
  706    H    LYS 839           H        LYS 839   6.591   0.194  10.278
  707    HA   LYS 839           HA       LYS 839   5.241  -2.410  10.116
  708    HB2  LYS 839           HB2      LYS 839   5.425  -0.263  12.293
  709    HB3  LYS 839           HB3      LYS 839   4.668  -1.848  12.496
  710    HG2  LYS 839           HG2      LYS 839   6.808  -2.985  12.073
  711    HG3  LYS 839           HG3      LYS 839   7.599  -1.439  11.761
  712    HD2  LYS 839           HD2      LYS 839   8.148  -2.178  13.995
  713    HD3  LYS 839           HD3      LYS 839   7.216  -0.690  14.043
  714    HE2  LYS 839           HE2      LYS 839   6.446  -2.107  15.816
  715    HE3  LYS 839           HE3      LYS 839   5.162  -2.006  14.615
  716    HZ1  LYS 839           HZ1      LYS 839   7.056  -4.277  14.923
  717    HZ2  LYS 839           HZ2      LYS 839   5.870  -4.192  13.796
  718    HZ3  LYS 839           HZ3      LYS 839   5.502  -4.278  15.380
  719    H    LEU 840           H        LEU 840   4.297   0.732   9.281
  720    HA   LEU 840           HA       LEU 840   1.566   0.758  10.218
  721    HB2  LEU 840           HB2      LEU 840   3.040   2.389   8.105
  722    HB3  LEU 840           HB3      LEU 840   1.383   2.683   8.571
  723    HG   LEU 840           HG       LEU 840   2.751   4.303   9.610
  724   HD11  LEU 840          HD11      LEU 840   1.852   2.359  11.778
  725   HD12  LEU 840          HD12      LEU 840   0.794   3.476  10.901
  726   HD13  LEU 840          HD13      LEU 840   2.099   4.108  11.939
  727   HD21  LEU 840          HD21      LEU 840   4.288   2.173  11.145
  728   HD22  LEU 840          HD22      LEU 840   4.531   3.924  11.165
  729   HD23  LEU 840          HD23      LEU 840   4.893   3.009   9.692
  730    H    GLY 841           H        GLY 841  -0.369   0.639   9.040
  731    HA2  GLY 841           HA2      GLY 841  -1.808   0.080   7.317
  732    HA3  GLY 841           HA3      GLY 841  -0.425  -0.311   6.277
  733    H    GLY 842           H        GLY 842   0.005  -2.109   9.059
  734    HA2  GLY 842           HA2      GLY 842  -1.905  -4.213   8.949
  735    HA3  GLY 842           HA3      GLY 842  -0.592  -4.638   7.856
  Start of MODEL   14
    1    H1   GLY  -4           H1       GLY  -4  10.494   5.353   1.234
    2    H2   GLY  -4           H2       GLY  -4  11.715   6.033   2.114
    3    H3   GLY  -4           H3       GLY  -4  11.728   4.423   1.781
    4    HA2  GLY  -4           HA2      GLY  -4  12.011   6.592  -0.194
    5    HA3  GLY  -4           HA3      GLY  -4  13.323   5.553   0.404
    6    HA   PRO  -3           HA       PRO  -3  11.220   3.658  -3.392
    7    HB2  PRO  -3           HB2      PRO  -3  13.087   4.117  -5.323
    8    HB3  PRO  -3           HB3      PRO  -3  11.859   5.330  -4.866
    9    HG2  PRO  -3           HG2      PRO  -3  14.731   5.129  -3.890
   10    HG3  PRO  -3           HG3      PRO  -3  13.879   6.574  -4.542
   11    HD2  PRO  -3           HD2      PRO  -3  14.108   6.120  -1.866
   12    HD3  PRO  -3           HD3      PRO  -3  12.625   6.851  -2.563
   13    H    MET  -2           H        MET  -2  11.979   1.764  -4.613
   14    HA   MET  -2           HA       MET  -2  14.502   0.459  -4.022
   15    HB2  MET  -2           HB2      MET  -2  13.612  -1.524  -2.936
   16    HB3  MET  -2           HB3      MET  -2  13.338  -0.106  -1.945
   17    HG2  MET  -2           HG2      MET  -2  10.994   0.021  -2.700
   18    HG3  MET  -2           HG3      MET  -2  11.217  -1.390  -3.725
   19    HE1  MET  -2           HE1      MET  -2  11.477  -4.359  -1.295
   20    HE2  MET  -2           HE2      MET  -2  11.289  -3.815  -2.969
   21    HE3  MET  -2           HE3      MET  -2  12.805  -3.512  -2.085
   22    H    GLY  -1           H        GLY  -1  14.714  -1.615  -5.165
   23    HA2  GLY  -1           HA2      GLY  -1  13.603  -1.429  -7.857
   24    HA3  GLY  -1           HA3      GLY  -1  14.752  -2.643  -7.260
   25    H    MET 755           H        MET 755  11.699  -2.201  -8.411
   26    HA   MET 755           HA       MET 755  10.098  -3.960  -6.854
   27    HB2  MET 755           HB2      MET 755   8.494  -3.829  -8.663
   28    HB3  MET 755           HB3      MET 755   9.201  -2.244  -8.358
   29    HG2  MET 755           HG2      MET 755  10.694  -2.520 -10.317
   30    HG3  MET 755           HG3      MET 755   9.999  -4.122 -10.620
   31    HE1  MET 755           HE1      MET 755   9.533  -3.472 -13.116
   32    HE2  MET 755           HE2      MET 755   8.689  -1.993 -13.607
   33    HE3  MET 755           HE3      MET 755  10.267  -1.882 -12.804
   34    H    GLN 756           H        GLN 756  12.627  -4.872  -8.937
   35    HA   GLN 756           HA       GLN 756  11.683  -7.507  -9.651
   36    HB2  GLN 756           HB2      GLN 756  13.430  -6.266 -10.871
   37    HB3  GLN 756           HB3      GLN 756  14.479  -6.315  -9.453
   38    HG2  GLN 756           HG2      GLN 756  15.180  -7.947 -11.123
   39    HG3  GLN 756           HG3      GLN 756  14.706  -8.749  -9.641
   40   HE21  GLN 756          HE21      GLN 756  12.590  -9.917  -9.632
   41   HE22  GLN 756          HE22      GLN 756  11.921 -10.470 -11.174
   42    H    SER 757           H        SER 757  12.864  -6.143  -6.664
   43    HA   SER 757           HA       SER 757  13.269  -8.859  -5.462
   44    HB2  SER 757           HB2      SER 757  14.952  -7.009  -5.021
   45    HB3  SER 757           HB3      SER 757  13.658  -6.149  -4.157
   46    HG   SER 757           HG       SER 757  14.987  -7.467  -2.774
   47    H    ILE 758           H        ILE 758  11.766  -9.704  -4.083
   48    HA   ILE 758           HA       ILE 758   9.591  -8.069  -2.971
   49    HB   ILE 758           HB       ILE 758   8.635 -10.621  -4.213
   50   HG12  ILE 758          HG12      ILE 758   7.867  -9.292  -6.310
   51   HG13  ILE 758          HG13      ILE 758   9.226  -8.240  -6.005
   52   HG21  ILE 758          HG21      ILE 758   7.423  -7.832  -3.948
   53   HG22  ILE 758          HG22      ILE 758   6.577  -9.322  -4.421
   54   HG23  ILE 758          HG23      ILE 758   7.222  -9.169  -2.798
   55   HD11  ILE 758          HD11      ILE 758   9.316 -11.257  -6.481
   56   HD12  ILE 758          HD12      ILE 758   9.742  -9.993  -7.657
   57   HD13  ILE 758          HD13      ILE 758  10.752 -10.240  -6.227
   58    H    ARG 759           H        ARG 759   8.609  -9.038  -1.169
   59    HA   ARG 759           HA       ARG 759  10.022 -11.055   0.328
   60    HB2  ARG 759           HB2      ARG 759   8.335 -10.655   2.038
   61    HB3  ARG 759           HB3      ARG 759   8.975  -9.148   1.395
   62    HG2  ARG 759           HG2      ARG 759   6.900  -9.025  -0.139
   63    HG3  ARG 759           HG3      ARG 759   6.259 -10.395   0.779
   64    HD2  ARG 759           HD2      ARG 759   6.705  -8.994   2.879
   65    HD3  ARG 759           HD3      ARG 759   7.027  -7.636   1.793
   66    HE   ARG 759           HE       ARG 759   4.560  -8.616   0.977
   67   HH11  ARG 759          HH11      ARG 759   5.771  -7.269   4.020
   68   HH12  ARG 759          HH12      ARG 759   4.200  -6.730   4.519
   69   HH21  ARG 759          HH21      ARG 759   2.551  -7.885   1.671
   70   HH22  ARG 759          HH22      ARG 759   2.405  -7.062   3.192
   71    H    GLU 760           H        GLU 760   9.245 -12.093  -2.104
   72    HA   GLU 760           HA       GLU 760   8.099 -14.622  -1.467
   73    HB2  GLU 760           HB2      GLU 760   6.261 -14.568  -3.145
   74    HB3  GLU 760           HB3      GLU 760   5.949 -13.667  -1.657
   75    HG2  GLU 760           HG2      GLU 760   6.360 -11.542  -2.805
   76    HG3  GLU 760           HG3      GLU 760   6.821 -12.399  -4.289
   77    H    GLN 761           H        GLN 761   8.694 -16.147  -3.039
   78    HA   GLN 761           HA       GLN 761  10.863 -15.061  -4.774
   79    HB2  GLN 761           HB2      GLN 761  12.203 -16.939  -4.035
   80    HB3  GLN 761           HB3      GLN 761  11.605 -16.012  -2.655
   81    HG2  GLN 761           HG2      GLN 761   9.767 -17.795  -2.414
   82    HG3  GLN 761           HG3      GLN 761  10.603 -18.726  -3.659
   83   HE21  GLN 761          HE21      GLN 761  11.211 -17.118  -0.452
   84   HE22  GLN 761          HE22      GLN 761  12.353 -18.344   0.075
   85    H    SER 762           H        SER 762  11.462 -16.037  -6.686
   86    HA   SER 762           HA       SER 762   9.370 -17.516  -8.081
   87    HB2  SER 762           HB2      SER 762  10.938 -17.360 -10.008
   88    HB3  SER 762           HB3      SER 762  10.491 -15.800  -9.307
   89    HG   SER 762           HG       SER 762  12.760 -15.981  -9.769
   90    H    CYS 763           H        CYS 763   9.591 -19.507  -9.108
   91    HA   CYS 763           HA       CYS 763  11.756 -21.360  -8.483
   92    HB2  CYS 763           HB2      CYS 763  10.215 -21.210  -6.406
   93    HB3  CYS 763           HB3      CYS 763   8.976 -22.000  -7.400
   94    HG   CYS 763           HG       CYS 763  10.127 -23.767  -5.783
   95    H    ARG 764           H        ARG 764  10.945 -23.674  -9.289
   96    HA   ARG 764           HA       ARG 764   9.590 -23.342 -11.916
   97    HB2  ARG 764           HB2      ARG 764  11.856 -24.623 -11.577
   98    HB3  ARG 764           HB3      ARG 764  10.814 -25.931 -10.995
   99    HG2  ARG 764           HG2      ARG 764   9.490 -25.661 -13.178
  100    HG3  ARG 764           HG3      ARG 764  10.714 -24.508 -13.712
  101    HD2  ARG 764           HD2      ARG 764  11.117 -27.433 -13.003
  102    HD3  ARG 764           HD3      ARG 764  11.062 -26.773 -14.632
  103    HE   ARG 764           HE       ARG 764  13.140 -25.609 -14.254
  104   HH11  ARG 764          HH11      ARG 764  12.472 -28.059 -11.773
  105   HH12  ARG 764          HH12      ARG 764  14.141 -28.138 -11.302
  106   HH21  ARG 764          HH21      ARG 764  15.258 -25.779 -13.579
  107   HH22  ARG 764          HH22      ARG 764  15.685 -26.885 -12.305
  108    H    VAL 765           H        VAL 765   7.703 -24.381 -12.358
  109    HA   VAL 765           HA       VAL 765   6.231 -25.834 -10.201
  110    HB   VAL 765           HB       VAL 765   4.203 -24.519 -10.652
  111   HG11  VAL 765          HG11      VAL 765   6.549 -22.740  -9.847
  112   HG12  VAL 765          HG12      VAL 765   4.846 -22.432  -9.518
  113   HG13  VAL 765          HG13      VAL 765   5.641 -23.836  -8.774
  114   HG21  VAL 765          HG21      VAL 765   5.916 -22.614 -12.283
  115   HG22  VAL 765          HG22      VAL 765   4.755 -23.775 -12.970
  116   HG23  VAL 765          HG23      VAL 765   4.186 -22.470 -11.922
  117    H    VAL 766           H        VAL 766   4.231 -26.867 -11.020
  118    HA   VAL 766           HA       VAL 766   4.628 -27.903 -13.816
  119    HB   VAL 766           HB       VAL 766   5.638 -29.404 -12.085
  120   HG11  VAL 766          HG11      VAL 766   4.067 -29.186 -10.223
  121   HG12  VAL 766          HG12      VAL 766   2.758 -29.896 -11.198
  122   HG13  VAL 766          HG13      VAL 766   4.156 -30.868 -10.770
  123   HG21  VAL 766          HG21      VAL 766   3.315 -30.698 -13.571
  124   HG22  VAL 766          HG22      VAL 766   4.865 -30.260 -14.311
  125   HG23  VAL 766          HG23      VAL 766   4.798 -31.483 -13.022
  126    H    THR 767           H        THR 767   2.809 -28.506 -14.950
  127    HA   THR 767           HA       THR 767   0.193 -28.582 -13.510
  128    HB   THR 767           HB       THR 767   0.692 -27.615 -16.343
  129    HG1  THR 767           HG1      THR 767  -0.050 -25.702 -15.506
  130   HG21  THR 767          HG21      THR 767  -1.747 -27.187 -16.422
  131   HG22  THR 767          HG22      THR 767  -1.953 -27.973 -14.844
  132   HG23  THR 767          HG23      THR 767  -1.432 -28.922 -16.249
  133    H    CYS 768           H        CYS 768  -0.437 -30.620 -13.367
  134    HA   CYS 768           HA       CYS 768   0.482 -32.765 -15.151
  135    HB2  CYS 768           HB2      CYS 768  -0.049 -33.126 -12.711
  136    HB3  CYS 768           HB3      CYS 768  -1.730 -32.735 -13.053
  137    H    LYS 769           H        LYS 769  -0.385 -33.151 -17.098
  138    HA   LYS 769           HA       LYS 769  -2.787 -31.677 -18.004
  139    HB2  LYS 769           HB2      LYS 769  -0.928 -33.617 -19.450
  140    HB3  LYS 769           HB3      LYS 769  -2.175 -32.632 -20.204
  141    HG2  LYS 769           HG2      LYS 769   0.380 -31.648 -18.843
  142    HG3  LYS 769           HG3      LYS 769   0.047 -31.678 -20.562
  143    HD2  LYS 769           HD2      LYS 769  -1.416 -29.935 -18.528
  144    HD3  LYS 769           HD3      LYS 769  -0.120 -29.407 -19.612
  145    HE2  LYS 769           HE2      LYS 769  -1.512 -30.054 -21.581
  146    HE3  LYS 769           HE3      LYS 769  -2.835 -30.492 -20.502
  147    HZ1  LYS 769           HZ1      LYS 769  -2.905 -28.180 -19.757
  148    HZ2  LYS 769           HZ2      LYS 769  -3.107 -28.253 -21.369
  149    HZ3  LYS 769           HZ3      LYS 769  -1.662 -27.783 -20.753
  150    H    THR 770           H        THR 770  -2.019 -34.840 -16.791
  151    HA   THR 770           HA       THR 770  -4.339 -36.229 -17.874
  152    HB   THR 770           HB       THR 770  -2.550 -36.963 -15.538
  153    HG1  THR 770           HG1      THR 770  -2.414 -37.669 -18.303
  154   HG21  THR 770          HG21      THR 770  -4.577 -38.313 -15.566
  155   HG22  THR 770          HG22      THR 770  -3.214 -39.287 -16.133
  156   HG23  THR 770          HG23      THR 770  -4.392 -38.644 -17.302
  157    H    CYS 771           H        CYS 771  -3.597 -34.769 -14.624
  158    HA   CYS 771           HA       CYS 771  -6.416 -35.204 -13.797
  159    HB2  CYS 771           HB2      CYS 771  -4.009 -34.139 -12.284
  160    HB3  CYS 771           HB3      CYS 771  -5.573 -34.562 -11.591
  161    H    LYS 772           H        LYS 772  -4.441 -32.631 -15.015
  162    HA   LYS 772           HA       LYS 772  -4.807 -30.514 -15.599
  163    HB2  LYS 772           HB2      LYS 772  -7.723 -30.898 -14.832
  164    HB3  LYS 772           HB3      LYS 772  -7.045 -29.605 -15.799
  165    HG2  LYS 772           HG2      LYS 772  -7.511 -30.805 -17.608
  166    HG3  LYS 772           HG3      LYS 772  -6.146 -31.840 -17.184
  167    HD2  LYS 772           HD2      LYS 772  -7.723 -33.345 -15.927
  168    HD3  LYS 772           HD3      LYS 772  -9.042 -32.252 -16.329
  169    HE2  LYS 772           HE2      LYS 772  -9.216 -34.032 -17.866
  170    HE3  LYS 772           HE3      LYS 772  -8.557 -32.680 -18.793
  171    HZ1  LYS 772           HZ1      LYS 772  -7.002 -34.956 -17.676
  172    HZ2  LYS 772           HZ2      LYS 772  -6.355 -33.725 -18.541
  173    HZ3  LYS 772           HZ3      LYS 772  -7.409 -34.763 -19.247
  174    H    TYR 773           H        TYR 773  -4.037 -31.141 -12.780
  175    HA   TYR 773           HA       TYR 773  -4.785 -28.551 -11.466
  176    HB2  TYR 773           HB2      TYR 773  -4.036 -29.403  -9.413
  177    HB3  TYR 773           HB3      TYR 773  -5.090 -30.603 -10.097
  178    HD1  TYR 773           HD1      TYR 773  -1.513 -29.735  -9.480
  179    HD2  TYR 773           HD2      TYR 773  -4.313 -32.854 -10.437
  180    HE1  TYR 773           HE1      TYR 773   0.268 -31.434  -9.136
  181    HE2  TYR 773           HE2      TYR 773  -2.588 -34.562  -9.939
  182    HH   TYR 773           HH       TYR 773  -0.308 -34.944  -9.485
  183    H    THR 774           H        THR 774  -3.163 -27.227 -10.513
  184    HA   THR 774           HA       THR 774  -0.437 -27.344 -11.749
  185    HB   THR 774           HB       THR 774  -1.942 -24.892 -10.791
  186    HG1  THR 774           HG1      THR 774  -1.265 -25.734 -13.429
  187   HG21  THR 774          HG21      THR 774  -0.139 -23.650 -12.012
  188   HG22  THR 774          HG22      THR 774   0.724 -25.171 -12.287
  189   HG23  THR 774          HG23      THR 774   0.492 -24.552 -10.640
  190    H    HIS 775           H        HIS 775   1.323 -27.118 -10.392
  191    HA   HIS 775           HA       HIS 775   1.012 -26.923  -7.469
  192    HB2  HIS 775           HB2      HIS 775   0.511 -29.341  -8.713
  193    HB3  HIS 775           HB3      HIS 775   2.217 -29.501  -8.411
  194    HD1  HIS 775           HD1      HIS 775   2.566 -30.740  -6.155
  195    HD2  HIS 775           HD2      HIS 775  -0.993 -28.496  -6.371
  196    HE1  HIS 775           HE1      HIS 775   1.379 -31.067  -3.923
  197    H    PHE 776           H        PHE 776   3.125 -27.366  -6.344
  198    HA   PHE 776           HA       PHE 776   5.358 -26.026  -7.620
  199    HB2  PHE 776           HB2      PHE 776   5.437 -27.696  -5.095
  200    HB3  PHE 776           HB3      PHE 776   6.458 -26.337  -5.507
  201    HD1  PHE 776           HD2      PHE 776   5.491 -23.978  -5.380
  202    HD2  PHE 776           HD1      PHE 776   3.318 -27.442  -4.000
  203    HE1  PHE 776           HE2      PHE 776   3.943 -22.515  -4.103
  204    HE2  PHE 776           HE1      PHE 776   1.789 -25.974  -2.719
  205    HZ   PHE 776           HZ       PHE 776   2.114 -23.524  -2.745
  206    H    LYS 777           H        LYS 777   4.447 -29.374  -7.108
  207    HA   LYS 777           HA       LYS 777   6.252 -30.405  -9.080
  208    HB2  LYS 777           HB2      LYS 777   7.720 -31.734  -7.849
  209    HB3  LYS 777           HB3      LYS 777   7.798 -30.189  -7.064
  210    HG2  LYS 777           HG2      LYS 777   6.183 -32.574  -6.045
  211    HG3  LYS 777           HG3      LYS 777   7.822 -32.198  -5.564
  212    HD2  LYS 777           HD2      LYS 777   5.425 -30.384  -5.037
  213    HD3  LYS 777           HD3      LYS 777   6.143 -31.538  -3.899
  214    HE2  LYS 777           HE2      LYS 777   8.369 -30.326  -4.229
  215    HE3  LYS 777           HE3      LYS 777   7.478 -29.076  -5.103
  216    HZ1  LYS 777           HZ1      LYS 777   7.716 -28.469  -2.788
  217    HZ2  LYS 777           HZ2      LYS 777   7.044 -29.865  -2.272
  218    HZ3  LYS 777           HZ3      LYS 777   6.128 -28.766  -3.061
  219    HA   PRO 778           HA       PRO 778   2.894 -33.218  -9.275
  220    HB2  PRO 778           HB2      PRO 778   3.860 -35.431 -10.552
  221    HB3  PRO 778           HB3      PRO 778   3.721 -33.840 -11.354
  222    HG2  PRO 778           HG2      PRO 778   6.179 -35.068 -10.051
  223    HG3  PRO 778           HG3      PRO 778   6.048 -34.298 -11.661
  224    HD2  PRO 778           HD2      PRO 778   6.966 -32.959  -9.481
  225    HD3  PRO 778           HD3      PRO 778   5.982 -32.137 -10.728
  226    H    LYS 779           H        LYS 779   1.869 -35.015  -8.324
  227    HA   LYS 779           HA       LYS 779   2.922 -35.829  -5.765
  228    HB2  LYS 779           HB2      LYS 779   0.459 -36.637  -7.355
  229    HB3  LYS 779           HB3      LYS 779   0.783 -37.210  -5.715
  230    HG2  LYS 779           HG2      LYS 779   0.843 -34.862  -4.892
  231    HG3  LYS 779           HG3      LYS 779   0.452 -34.277  -6.513
  232    HD2  LYS 779           HD2      LYS 779  -1.281 -36.136  -4.822
  233    HD3  LYS 779           HD3      LYS 779  -1.510 -34.390  -4.978
  234    HE2  LYS 779           HE2      LYS 779  -1.835 -34.653  -7.428
  235    HE3  LYS 779           HE3      LYS 779  -1.675 -36.412  -7.266
  236    HZ1  LYS 779           HZ1      LYS 779  -3.646 -36.353  -5.813
  237    HZ2  LYS 779           HZ2      LYS 779  -3.999 -35.744  -7.285
  238    HZ3  LYS 779           HZ3      LYS 779  -3.790 -34.739  -6.017
  239    H    GLU 780           H        GLU 780   3.036 -38.049  -4.983
  240    HA   GLU 780           HA       GLU 780   4.917 -39.615  -6.443
  241    HB2  GLU 780           HB2      GLU 780   3.144 -40.363  -4.087
  242    HB3  GLU 780           HB3      GLU 780   4.475 -41.361  -4.702
  243    HG2  GLU 780           HG2      GLU 780   6.061 -39.500  -4.236
  244    HG3  GLU 780           HG3      GLU 780   4.739 -38.547  -3.566
  245    H    THR 781           H        THR 781   1.372 -39.917  -6.200
  246    HA   THR 781           HA       THR 781   1.099 -42.355  -7.732
  247    HB   THR 781           HB       THR 781  -1.250 -41.383  -8.135
  248    HG1  THR 781           HG1      THR 781  -1.768 -39.664  -6.763
  249   HG21  THR 781          HG21      THR 781  -0.230 -41.793  -5.282
  250   HG22  THR 781          HG22      THR 781  -0.749 -43.063  -6.411
  251   HG23  THR 781          HG23      THR 781  -1.928 -41.891  -5.805
  252    H    CYS 782           H        CYS 782   1.095 -38.882  -8.669
  253    HA   CYS 782           HA       CYS 782   0.602 -39.334 -11.431
  254    HB2  CYS 782           HB2      CYS 782   1.980 -37.028  -9.945
  255    HB3  CYS 782           HB3      CYS 782   1.541 -37.011 -11.653
  256    H    VAL 783           H        VAL 783   3.671 -39.081  -9.629
  257    HA   VAL 783           HA       VAL 783   5.362 -39.467 -11.959
  258    HB   VAL 783           HB       VAL 783   5.987 -39.829  -9.006
  259   HG11  VAL 783          HG11      VAL 783   8.387 -39.622  -9.732
  260   HG12  VAL 783          HG12      VAL 783   7.650 -41.114 -10.306
  261   HG13  VAL 783          HG13      VAL 783   7.872 -39.747 -11.425
  262   HG21  VAL 783          HG21      VAL 783   5.402 -37.496  -9.680
  263   HG22  VAL 783          HG22      VAL 783   7.109 -37.634  -9.268
  264   HG23  VAL 783          HG23      VAL 783   6.612 -37.566 -10.974
  265    H    SER 784           H        SER 784   4.097 -41.788  -9.475
  266    HA   SER 784           HA       SER 784   5.473 -44.076 -10.512
  267    HB2  SER 784           HB2      SER 784   4.546 -43.830  -8.210
  268    HB3  SER 784           HB3      SER 784   2.909 -43.935  -8.876
  269    HG   SER 784           HG       SER 784   3.674 -45.965  -8.106
  270    H    GLU 785           H        GLU 785   2.126 -42.877 -11.136
  271    HA   GLU 785           HA       GLU 785   1.528 -45.006 -13.055
  272    HB2  GLU 785           HB2      GLU 785   0.144 -42.365 -12.424
  273    HB3  GLU 785           HB3      GLU 785  -0.452 -43.575 -13.566
  274    HG2  GLU 785           HG2      GLU 785  -0.638 -45.238 -11.764
  275    HG3  GLU 785           HG3      GLU 785   0.002 -44.072 -10.589
  276    H    ASN 786           H        ASN 786   3.464 -42.204 -13.247
  277    HA   ASN 786           HA       ASN 786   4.411 -41.009 -14.896
  278    HB2  ASN 786           HB2      ASN 786   3.901 -43.556 -16.477
  279    HB3  ASN 786           HB3      ASN 786   4.792 -42.184 -17.110
  280   HD21  ASN 786          HD21      ASN 786   4.824 -44.558 -14.374
  281   HD22  ASN 786          HD22      ASN 786   6.562 -44.483 -14.187
  282    H    HIS 787           H        HIS 787   2.115 -39.969 -14.355
  283    HA   HIS 787           HA       HIS 787   0.311 -39.435 -16.573
  284    HB2  HIS 787           HB2      HIS 787   1.067 -37.838 -14.086
  285    HB3  HIS 787           HB3      HIS 787  -0.142 -37.333 -15.253
  286    HD2  HIS 787           HD2      HIS 787  -0.474 -41.013 -14.807
  287    HE1  HIS 787           HE1      HIS 787  -3.180 -39.445 -11.946
  288    HE2  HIS 787           HE2      HIS 787  -2.408 -41.554 -13.136
  289    H    ASP 788           H        ASP 788   0.203 -37.414 -17.766
  290    HA   ASP 788           HA       ASP 788   2.869 -36.529 -18.732
  291    HB2  ASP 788           HB2      ASP 788   1.007 -37.133 -20.323
  292    HB3  ASP 788           HB3      ASP 788   0.088 -35.771 -19.720
  293    H    PHE 789           H        PHE 789   3.698 -34.481 -18.336
  294    HA   PHE 789           HA       PHE 789   1.935 -32.453 -17.129
  295    HB2  PHE 789           HB2      PHE 789   4.378 -32.150 -15.731
  296    HB3  PHE 789           HB3      PHE 789   2.786 -32.474 -15.111
  297    HD1  PHE 789           HD2      PHE 789   6.054 -33.942 -15.957
  298    HD2  PHE 789           HD1      PHE 789   2.144 -34.704 -14.329
  299    HE1  PHE 789           HE2      PHE 789   6.910 -36.017 -14.880
  300    HE2  PHE 789           HE1      PHE 789   3.005 -36.760 -13.240
  301    HZ   PHE 789           HZ       PHE 789   5.384 -37.427 -13.525
  302    H    HIS 790           H        HIS 790   2.517 -30.365 -17.349
  303    HA   HIS 790           HA       HIS 790   4.793 -29.666 -19.196
  304    HB2  HIS 790           HB2      HIS 790   2.120 -28.315 -18.611
  305    HB3  HIS 790           HB3      HIS 790   3.489 -27.459 -19.299
  306    HD1  HIS 790           HD1      HIS 790   2.287 -26.965 -21.584
  307    HD2  HIS 790           HD2      HIS 790   2.674 -31.038 -20.602
  308    HE1  HIS 790           HE1      HIS 790   1.665 -28.267 -23.677
  309    H    TRP 791           H        TRP 791   6.514 -28.812 -18.166
  310    HA   TRP 791           HA       TRP 791   6.176 -27.534 -15.497
  311    HB2  TRP 791           HB2      TRP 791   8.587 -28.516 -17.029
  312    HB3  TRP 791           HB3      TRP 791   8.696 -27.560 -15.559
  313    HD1  TRP 791           HD1      TRP 791   7.641 -31.034 -16.745
  314    HE1  TRP 791           HE1      TRP 791   7.710 -32.663 -14.761
  315    HE3  TRP 791           HE3      TRP 791   8.417 -27.667 -12.960
  316    HZ2  TRP 791           HZ2      TRP 791   8.223 -32.531 -11.928
  317    HZ3  TRP 791           HZ3      TRP 791   8.700 -28.445 -10.628
  318    HH2  TRP 791           HH2      TRP 791   8.659 -30.866 -10.094
  319    H    HIS 792           H        HIS 792   6.903 -25.460 -15.064
  320    HA   HIS 792           HA       HIS 792   8.150 -23.721 -17.004
  321    HB2  HIS 792           HB2      HIS 792   6.362 -22.114 -17.254
  322    HB3  HIS 792           HB3      HIS 792   5.804 -23.666 -17.849
  323    HD1  HIS 792           HD1      HIS 792   4.767 -20.942 -15.549
  324    HD2  HIS 792           HD2      HIS 792   4.104 -25.084 -15.990
  325    HE1  HIS 792           HE1      HIS 792   2.592 -21.453 -14.330
  326    H    ASN 793           H        ASN 793   8.079 -21.318 -15.942
  327    HA   ASN 793           HA       ASN 793   8.745 -21.671 -13.063
  328    HB2  ASN 793           HB2      ASN 793   9.384 -19.507 -15.084
  329    HB3  ASN 793           HB3      ASN 793   9.688 -19.333 -13.350
  330   HD21  ASN 793          HD21      ASN 793  10.986 -21.155 -12.300
  331   HD22  ASN 793          HD22      ASN 793  12.329 -21.791 -13.256
  332    H    GLY 794           H        GLY 794   8.023 -20.218 -11.492
  333    HA2  GLY 794           HA2      GLY 794   5.817 -18.329 -11.961
  334    HA3  GLY 794           HA3      GLY 794   5.371 -19.766 -11.048
  335    H    VAL 795           H        VAL 795   4.915 -17.750  -9.600
  336    HA   VAL 795           HA       VAL 795   7.147 -17.593  -7.616
  337    HB   VAL 795           HB       VAL 795   5.246 -15.326  -8.323
  338   HG11  VAL 795          HG11      VAL 795   5.587 -15.353  -5.887
  339   HG12  VAL 795          HG12      VAL 795   7.328 -15.528  -6.099
  340   HG13  VAL 795          HG13      VAL 795   6.528 -14.032  -6.589
  341   HG21  VAL 795          HG21      VAL 795   7.158 -15.515  -9.898
  342   HG22  VAL 795          HG22      VAL 795   7.306 -14.072  -8.880
  343   HG23  VAL 795          HG23      VAL 795   8.277 -15.514  -8.523
  344    H    LYS 796           H        LYS 796   6.618 -18.420  -5.741
  345    HA   LYS 796           HA       LYS 796   3.864 -19.255  -5.164
  346    HB2  LYS 796           HB2      LYS 796   4.857 -20.552  -3.414
  347    HB3  LYS 796           HB3      LYS 796   5.828 -20.750  -4.878
  348    HG2  LYS 796           HG2      LYS 796   7.270 -18.755  -3.781
  349    HG3  LYS 796           HG3      LYS 796   6.490 -19.306  -2.301
  350    HD2  LYS 796           HD2      LYS 796   8.180 -20.988  -4.205
  351    HD3  LYS 796           HD3      LYS 796   8.713 -20.312  -2.662
  352    HE2  LYS 796           HE2      LYS 796   6.958 -21.663  -1.483
  353    HE3  LYS 796           HE3      LYS 796   6.483 -22.368  -3.031
  354    HZ1  LYS 796           HZ1      LYS 796   8.020 -23.810  -1.831
  355    HZ2  LYS 796           HZ2      LYS 796   9.150 -22.639  -1.763
  356    HZ3  LYS 796           HZ3      LYS 796   8.733 -23.299  -3.206
  357    H    ARG 797           H        ARG 797   2.577 -18.611  -3.508
  358    HA   ARG 797           HA       ARG 797   3.183 -15.962  -2.266
  359    HB2  ARG 797           HB2      ARG 797   0.445 -17.187  -2.780
  360    HB3  ARG 797           HB3      ARG 797   0.838 -15.515  -2.386
  361    HG2  ARG 797           HG2      ARG 797   1.351 -16.988  -4.994
  362    HG3  ARG 797           HG3      ARG 797   0.185 -15.705  -4.715
  363    HD2  ARG 797           HD2      ARG 797   1.957 -14.055  -4.464
  364    HD3  ARG 797           HD3      ARG 797   3.200 -15.304  -4.482
  365    HE   ARG 797           HE       ARG 797   3.033 -15.578  -6.750
  366   HH11  ARG 797          HH11      ARG 797   0.365 -13.464  -5.778
  367   HH12  ARG 797          HH12      ARG 797   0.033 -12.975  -7.417
  368   HH21  ARG 797          HH21      ARG 797   2.544 -14.909  -8.832
  369   HH22  ARG 797          HH22      ARG 797   1.247 -13.786  -9.114
  370    H    PHE 798           H        PHE 798   3.032 -15.752  -0.079
  371    HA   PHE 798           HA       PHE 798   2.626 -18.211   1.547
  372    HB2  PHE 798           HB2      PHE 798   3.841 -15.578   2.405
  373    HB3  PHE 798           HB3      PHE 798   3.969 -17.134   3.200
  374    HD1  PHE 798           HD1      PHE 798   4.877 -19.006   1.190
  375    HD2  PHE 798           HD2      PHE 798   6.010 -14.875   1.743
  376    HE1  PHE 798           HE1      PHE 798   7.066 -19.446   0.113
  377    HE2  PHE 798           HE2      PHE 798   8.174 -15.331   0.749
  378    HZ   PHE 798           HZ       PHE 798   8.717 -17.615  -0.126
  379    H    PHE 799           H        PHE 799   1.143 -18.336   3.204
  380    HA   PHE 799           HA       PHE 799  -0.606 -15.985   3.739
  381    HB2  PHE 799           HB2      PHE 799  -1.558 -18.826   3.294
  382    HB3  PHE 799           HB3      PHE 799  -2.563 -17.427   3.688
  383    HD1  PHE 799           HD1      PHE 799  -0.607 -19.107   1.024
  384    HD2  PHE 799           HD2      PHE 799  -3.086 -15.716   2.015
  385    HE1  PHE 799           HE1      PHE 799  -0.759 -18.500  -1.376
  386    HE2  PHE 799           HE2      PHE 799  -3.218 -15.118  -0.389
  387    HZ   PHE 799           HZ       PHE 799  -2.027 -16.494  -2.088
  388    H    LYS 800           H        LYS 800  -1.725 -15.949   5.653
  389    HA   LYS 800           HA       LYS 800  -0.959 -17.833   7.832
  390    HB2  LYS 800           HB2      LYS 800   0.562 -15.880   7.869
  391    HB3  LYS 800           HB3      LYS 800  -0.819 -14.784   7.911
  392    HG2  LYS 800           HG2      LYS 800  -1.458 -15.590  10.122
  393    HG3  LYS 800           HG3      LYS 800  -0.207 -16.846  10.078
  394    HD2  LYS 800           HD2      LYS 800   1.542 -15.105  10.005
  395    HD3  LYS 800           HD3      LYS 800   0.296 -13.845  10.016
  396    HE2  LYS 800           HE2      LYS 800  -0.544 -14.733  12.211
  397    HE3  LYS 800           HE3      LYS 800   0.764 -15.928  12.195
  398    HZ1  LYS 800           HZ1      LYS 800   1.136 -12.982  12.232
  399    HZ2  LYS 800           HZ2      LYS 800   2.353 -14.080  12.229
  400    HZ3  LYS 800           HZ3      LYS 800   1.342 -13.977  13.507
  401    H    CYS 801           H        CYS 801  -2.471 -18.204   9.342
  402    HA   CYS 801           HA       CYS 801  -5.223 -17.090   9.055
  403    HB2  CYS 801           HB2      CYS 801  -4.796 -19.575   8.867
  404    HB3  CYS 801           HB3      CYS 801  -4.113 -19.537  10.498
  405    HA   PRO 802           HA       PRO 802  -4.577 -14.678  12.725
  406    HB2  PRO 802           HB2      PRO 802  -7.099 -14.804  13.971
  407    HB3  PRO 802           HB3      PRO 802  -6.606 -13.704  12.657
  408    HG2  PRO 802           HG2      PRO 802  -8.031 -16.371  12.441
  409    HG3  PRO 802           HG3      PRO 802  -8.413 -14.833  11.603
  410    HD2  PRO 802           HD2      PRO 802  -7.054 -16.716  10.314
  411    HD3  PRO 802           HD3      PRO 802  -6.498 -15.029  10.192
  412    H    CYS 803           H        CYS 803  -5.510 -18.076  13.219
  413    HA   CYS 803           HA       CYS 803  -4.949 -18.041  16.076
  414    HB2  CYS 803           HB2      CYS 803  -5.239 -20.407  15.969
  415    HB3  CYS 803           HB3      CYS 803  -6.525 -19.643  15.040
  416    H    GLY 804           H        GLY 804  -2.945 -17.912  13.342
  417    HA2  GLY 804           HA2      GLY 804  -0.578 -17.597  13.516
  418    HA3  GLY 804           HA3      GLY 804  -0.501 -18.786  14.836
  419    H    ASN 805           H        ASN 805  -2.503 -20.315  12.742
  420    HA   ASN 805           HA       ASN 805  -0.497 -22.054  11.671
  421    HB2  ASN 805           HB2      ASN 805  -2.867 -22.663  12.214
  422    HB3  ASN 805           HB3      ASN 805  -3.387 -21.755  10.798
  423   HD21  ASN 805          HD21      ASN 805  -4.342 -23.737   9.961
  424   HD22  ASN 805          HD22      ASN 805  -3.277 -24.954   9.233
  425    H    ARG 806           H        ARG 806  -0.045 -22.503   9.398
  426    HA   ARG 806           HA       ARG 806   0.039 -20.084   7.626
  427    HB2  ARG 806           HB2      ARG 806   2.308 -22.001   8.342
  428    HB3  ARG 806           HB3      ARG 806   2.421 -20.720   7.134
  429    HG2  ARG 806           HG2      ARG 806   2.000 -20.329  10.126
  430    HG3  ARG 806           HG3      ARG 806   3.510 -20.092   9.248
  431    HD2  ARG 806           HD2      ARG 806   0.954 -18.467   8.925
  432    HD3  ARG 806           HD3      ARG 806   2.415 -17.934   9.736
  433    HE   ARG 806           HE       ARG 806   1.904 -18.073   6.856
  434   HH11  ARG 806          HH11      ARG 806   4.519 -17.805   9.257
  435   HH12  ARG 806          HH12      ARG 806   5.642 -17.191   8.076
  436   HH21  ARG 806          HH21      ARG 806   3.425 -17.330   5.412
  437   HH22  ARG 806          HH22      ARG 806   5.045 -16.961   5.939
  438    H    THR 807           H        THR 807   0.435 -20.490   5.395
  439    HA   THR 807           HA       THR 807   0.789 -23.130   4.321
  440    HB   THR 807           HB       THR 807  -1.671 -23.193   4.806
  441    HG1  THR 807           HG1      THR 807  -2.019 -24.234   2.886
  442   HG21  THR 807          HG21      THR 807  -1.872 -21.297   2.420
  443   HG22  THR 807          HG22      THR 807  -2.258 -20.846   4.104
  444   HG23  THR 807          HG23      THR 807  -3.209 -22.084   3.284
  445    H    ILE 808           H        ILE 808   0.478 -23.008   1.833
  446    HA   ILE 808           HA       ILE 808   1.565 -20.489   0.689
  447    HB   ILE 808           HB       ILE 808   2.993 -23.170   0.361
  448   HG12  ILE 808          HG12      ILE 808   3.760 -20.774   2.086
  449   HG13  ILE 808          HG13      ILE 808   3.398 -22.405   2.642
  450   HG21  ILE 808          HG21      ILE 808   4.700 -21.894  -0.848
  451   HG22  ILE 808          HG22      ILE 808   3.147 -21.599  -1.599
  452   HG23  ILE 808          HG23      ILE 808   3.851 -20.380  -0.519
  453   HD11  ILE 808          HD11      ILE 808   5.751 -22.148   2.762
  454   HD12  ILE 808          HD12      ILE 808   5.416 -23.256   1.413
  455   HD13  ILE 808          HD13      ILE 808   5.857 -21.548   1.099
  456    H    SER 809           H        SER 809   1.030 -20.248  -1.497
  457    HA   SER 809           HA       SER 809  -0.058 -22.569  -2.998
  458    HB2  SER 809           HB2      SER 809  -2.018 -21.538  -1.841
  459    HB3  SER 809           HB3      SER 809  -1.691 -20.025  -2.715
  460    HG   SER 809           HG       SER 809  -3.258 -21.508  -3.717
  461    H    LEU 810           H        LEU 810  -0.300 -22.139  -5.297
  462    HA   LEU 810           HA       LEU 810   1.536 -20.048  -6.369
  463    HB2  LEU 810           HB2      LEU 810   0.018 -22.333  -7.686
  464    HB3  LEU 810           HB3      LEU 810   1.060 -21.201  -8.535
  465    HG   LEU 810           HG       LEU 810   1.968 -23.229  -6.431
  466   HD11  LEU 810          HD11      LEU 810   2.430 -23.063  -9.422
  467   HD12  LEU 810          HD12      LEU 810   1.421 -24.239  -8.531
  468   HD13  LEU 810          HD13      LEU 810   3.175 -24.227  -8.292
  469   HD21  LEU 810          HD21      LEU 810   3.375 -21.259  -6.183
  470   HD22  LEU 810          HD22      LEU 810   3.560 -21.111  -7.949
  471   HD23  LEU 810          HD23      LEU 810   4.278 -22.480  -7.062
  472    H    ASP 811           H        ASP 811  -1.771 -20.425  -5.613
  473    HA   ASP 811           HA       ASP 811  -2.704 -18.388  -7.572
  474    HB2  ASP 811           HB2      ASP 811  -4.151 -20.114  -5.517
  475    HB3  ASP 811           HB3      ASP 811  -4.930 -18.859  -6.488
  476    H    ARG 812           H        ARG 812  -4.062 -16.625  -6.744
  477    HA   ARG 812           HA       ARG 812  -2.727 -14.947  -4.885
  478    HB2  ARG 812           HB2      ARG 812  -4.567 -13.404  -5.253
  479    HB3  ARG 812           HB3      ARG 812  -4.023 -14.105  -6.774
  480    HG2  ARG 812           HG2      ARG 812  -5.970 -15.666  -6.756
  481    HG3  ARG 812           HG3      ARG 812  -6.494 -14.981  -5.202
  482    HD2  ARG 812           HD2      ARG 812  -6.757 -12.767  -6.264
  483    HD3  ARG 812           HD3      ARG 812  -6.240 -13.447  -7.817
  484    HE   ARG 812           HE       ARG 812  -8.411 -15.000  -6.842
  485   HH11  ARG 812          HH11      ARG 812  -7.906 -11.754  -8.124
  486   HH12  ARG 812          HH12      ARG 812  -9.543 -11.611  -8.706
  487   HH21  ARG 812          HH21      ARG 812 -10.498 -14.784  -7.629
  488   HH22  ARG 812          HH22      ARG 812 -10.983 -13.320  -8.441
  489    H    LEU 813           H        LEU 813  -4.946 -17.443  -4.186
  490    HA   LEU 813           HA       LEU 813  -4.828 -16.973  -1.337
  491    HB2  LEU 813           HB2      LEU 813  -6.781 -15.482  -2.203
  492    HB3  LEU 813           HB3      LEU 813  -7.584 -16.974  -2.651
  493    HG   LEU 813           HG       LEU 813  -7.426 -17.662  -0.186
  494   HD11  LEU 813          HD11      LEU 813  -5.638 -16.045   0.521
  495   HD12  LEU 813          HD12      LEU 813  -7.127 -15.824   1.450
  496   HD13  LEU 813          HD13      LEU 813  -6.715 -14.696   0.141
  497   HD21  LEU 813          HD21      LEU 813  -8.997 -15.147  -0.891
  498   HD22  LEU 813          HD22      LEU 813  -9.347 -16.235   0.464
  499   HD23  LEU 813          HD23      LEU 813  -9.507 -16.821  -1.198
  500    HA   PRO 814           HA       PRO 814  -5.225 -21.470  -1.920
  501    HB2  PRO 814           HB2      PRO 814  -5.314 -22.335   0.657
  502    HB3  PRO 814           HB3      PRO 814  -3.821 -21.660  -0.077
  503    HG2  PRO 814           HG2      PRO 814  -5.879 -20.213   1.614
  504    HG3  PRO 814           HG3      PRO 814  -4.099 -20.245   1.851
  505    HD2  PRO 814           HD2      PRO 814  -5.334 -18.225   0.567
  506    HD3  PRO 814           HD3      PRO 814  -3.752 -18.838  -0.002
  507    H    LYS 815           H        LYS 815  -6.878 -23.065  -1.806
  508    HA   LYS 815           HA       LYS 815  -9.592 -22.009  -1.303
  509    HB2  LYS 815           HB2      LYS 815 -10.407 -23.636  -2.707
  510    HB3  LYS 815           HB3      LYS 815  -8.930 -23.097  -3.483
  511    HG2  LYS 815           HG2      LYS 815  -9.314 -25.691  -1.906
  512    HG3  LYS 815           HG3      LYS 815  -9.328 -25.522  -3.651
  513    HD2  LYS 815           HD2      LYS 815  -6.920 -24.811  -3.591
  514    HD3  LYS 815           HD3      LYS 815  -6.933 -25.030  -1.837
  515    HE2  LYS 815           HE2      LYS 815  -5.965 -26.999  -2.768
  516    HE3  LYS 815           HE3      LYS 815  -7.566 -27.422  -2.138
  517    HZ1  LYS 815           HZ1      LYS 815  -6.935 -26.899  -4.999
  518    HZ2  LYS 815           HZ2      LYS 815  -8.400 -27.352  -4.426
  519    HZ3  LYS 815           HZ3      LYS 815  -7.127 -28.373  -4.347
  520    H    LYS 816           H        LYS 816  -7.408 -24.119   0.298
  521    HA   LYS 816           HA       LYS 816  -9.424 -25.787   1.588
  522    HB2  LYS 816           HB2      LYS 816  -7.546 -26.913   2.618
  523    HB3  LYS 816           HB3      LYS 816  -7.309 -26.699   0.897
  524    HG2  LYS 816           HG2      LYS 816  -5.203 -26.194   1.586
  525    HG3  LYS 816           HG3      LYS 816  -5.886 -24.581   1.559
  526    HD2  LYS 816           HD2      LYS 816  -4.594 -24.791   3.549
  527    HD3  LYS 816           HD3      LYS 816  -6.278 -24.780   4.063
  528    HE2  LYS 816           HE2      LYS 816  -6.136 -27.350   4.062
  529    HE3  LYS 816           HE3      LYS 816  -4.392 -27.171   3.833
  530    HZ1  LYS 816           HZ1      LYS 816  -5.998 -26.114   6.077
  531    HZ2  LYS 816           HZ2      LYS 816  -4.372 -25.873   5.920
  532    HZ3  LYS 816           HZ3      LYS 816  -4.961 -27.374   6.192
  533    H    HIS 817           H        HIS 817  -9.943 -25.928   3.807
  534    HA   HIS 817           HA       HIS 817  -9.867 -23.361   5.310
  535    HB2  HIS 817           HB2      HIS 817 -11.229 -26.036   5.781
  536    HB3  HIS 817           HB3      HIS 817 -11.236 -24.723   6.942
  537    HD1  HIS 817           HD1      HIS 817 -11.874 -24.227   3.128
  538    HD2  HIS 817           HD2      HIS 817 -13.746 -24.051   6.886
  539    HE1  HIS 817           HE1      HIS 817 -14.162 -23.216   2.729
  540    H    CYS 818           H        CYS 818  -9.284 -23.405   7.637
  541    HA   CYS 818           HA       CYS 818  -6.567 -24.104   7.960
  542    HB2  CYS 818           HB2      CYS 818  -7.735 -22.233   9.011
  543    HB3  CYS 818           HB3      CYS 818  -8.685 -23.347  10.008
  544    H    SER 819           H        SER 819  -5.512 -25.684   9.021
  545    HA   SER 819           HA       SER 819  -6.924 -28.209   9.674
  546    HB2  SER 819           HB2      SER 819  -3.964 -27.512   9.576
  547    HB3  SER 819           HB3      SER 819  -4.625 -29.121   9.846
  548    HG   SER 819           HG       SER 819  -5.329 -29.232   7.791
  549    H    THR 820           H        THR 820  -5.923 -25.422  11.376
  550    HA   THR 820           HA       THR 820  -5.404 -26.871  13.939
  551    HB   THR 820           HB       THR 820  -4.864 -24.001  13.103
  552    HG1  THR 820           HG1      THR 820  -3.176 -26.256  13.500
  553   HG21  THR 820          HG21      THR 820  -3.413 -23.959  15.145
  554   HG22  THR 820          HG22      THR 820  -4.115 -25.512  15.648
  555   HG23  THR 820          HG23      THR 820  -5.137 -24.061  15.523
  556    H    CYS 821           H        CYS 821  -7.520 -24.296  12.587
  557    HA   CYS 821           HA       CYS 821  -9.281 -24.661  14.980
  558    HB2  CYS 821           HB2      CYS 821  -9.744 -22.364  15.036
  559    HB3  CYS 821           HB3      CYS 821  -7.997 -22.568  15.094
  560    H    GLY 822           H        GLY 822  -9.249 -24.728  11.558
  561    HA2  GLY 822           HA2      GLY 822 -10.818 -25.988  10.379
  562    HA3  GLY 822           HA3      GLY 822 -12.007 -25.741  11.668
  563    H    LEU 823           H        LEU 823 -11.122 -22.667  11.052
  564    HA   LEU 823           HA       LEU 823 -13.383 -22.247   9.174
  565    HB2  LEU 823           HB2      LEU 823 -13.272 -19.905   9.902
  566    HB3  LEU 823           HB3      LEU 823 -13.529 -21.056  11.190
  567    HG   LEU 823           HG       LEU 823 -11.324 -20.791  12.058
  568   HD11  LEU 823          HD11      LEU 823  -9.753 -19.041  11.112
  569   HD12  LEU 823          HD12      LEU 823 -10.756 -19.010   9.650
  570   HD13  LEU 823          HD13      LEU 823  -9.901 -20.489  10.118
  571   HD21  LEU 823          HD21      LEU 823 -11.430 -18.413  12.714
  572   HD22  LEU 823          HD22      LEU 823 -13.040 -19.167  12.719
  573   HD23  LEU 823          HD23      LEU 823 -12.562 -18.088  11.389
  574    H    PHE 824           H        PHE 824 -12.887 -19.942   7.942
  575    HA   PHE 824           HA       PHE 824 -10.440 -20.320   6.275
  576    HB2  PHE 824           HB2      PHE 824 -12.467 -21.274   5.177
  577    HB3  PHE 824           HB3      PHE 824 -13.250 -19.715   5.257
  578    HD1  PHE 824           HD2      PHE 824 -10.490 -21.667   3.732
  579    HD2  PHE 824           HD1      PHE 824 -12.647 -17.939   3.664
  580    HE1  PHE 824           HE2      PHE 824  -9.454 -21.107   1.557
  581    HE2  PHE 824           HE1      PHE 824 -11.567 -17.356   1.497
  582    HZ   PHE 824           HZ       PHE 824  -9.982 -18.955   0.435
  583    H    LYS 825           H        LYS 825  -9.334 -18.682   7.224
  584    HA   LYS 825           HA       LYS 825 -10.211 -15.890   6.715
  585    HB2  LYS 825           HB2      LYS 825  -9.338 -16.986   9.425
  586    HB3  LYS 825           HB3      LYS 825  -9.393 -15.277   9.041
  587    HG2  LYS 825           HG2      LYS 825 -11.829 -17.093   9.026
  588    HG3  LYS 825           HG3      LYS 825 -11.332 -16.046  10.352
  589    HD2  LYS 825           HD2      LYS 825 -11.587 -14.049   8.918
  590    HD3  LYS 825           HD3      LYS 825 -12.114 -15.086   7.569
  591    HE2  LYS 825           HE2      LYS 825 -14.009 -15.912   8.934
  592    HE3  LYS 825           HE3      LYS 825 -13.484 -14.903  10.287
  593    HZ1  LYS 825           HZ1      LYS 825 -13.892 -12.950   8.916
  594    HZ2  LYS 825           HZ2      LYS 825 -15.253 -13.842   9.009
  595    HZ3  LYS 825           HZ3      LYS 825 -14.354 -13.868   7.646
  596    H    TRP 826           H        TRP 826  -8.285 -17.578   5.348
  597    HA   TRP 826           HA       TRP 826  -5.595 -16.986   6.048
  598    HB2  TRP 826           HB2      TRP 826  -6.851 -17.514   3.333
  599    HB3  TRP 826           HB3      TRP 826  -5.118 -17.462   3.656
  600    HD1  TRP 826           HD1      TRP 826  -7.825 -19.832   3.356
  601    HE1  TRP 826           HE1      TRP 826  -7.201 -22.135   4.252
  602    HE3  TRP 826           HE3      TRP 826  -3.624 -18.538   5.971
  603    HZ2  TRP 826           HZ2      TRP 826  -5.217 -23.255   6.062
  604    HZ3  TRP 826           HZ3      TRP 826  -2.394 -20.231   7.291
  605    HH2  TRP 826           HH2      TRP 826  -3.177 -22.595   7.349
  606    H    GLU 827           H        GLU 827  -4.327 -15.300   5.850
  607    HA   GLU 827           HA       GLU 827  -5.102 -12.964   4.156
  608    HB2  GLU 827           HB2      GLU 827  -5.162 -12.589   6.629
  609    HB3  GLU 827           HB3      GLU 827  -3.469 -13.076   6.737
  610    HG2  GLU 827           HG2      GLU 827  -3.608 -10.661   6.785
  611    HG3  GLU 827           HG3      GLU 827  -2.825 -11.161   5.293
  612    H    ARG 828           H        ARG 828  -3.553 -12.302   2.672
  613    HA   ARG 828           HA       ARG 828  -1.272 -14.035   2.148
  614    HB2  ARG 828           HB2      ARG 828  -2.626 -12.964   0.379
  615    HB3  ARG 828           HB3      ARG 828  -2.037 -11.382   0.896
  616    HG2  ARG 828           HG2      ARG 828   0.257 -11.993   0.313
  617    HG3  ARG 828           HG3      ARG 828  -0.235 -13.662  -0.059
  618    HD2  ARG 828           HD2      ARG 828  -1.584 -12.933  -1.928
  619    HD3  ARG 828           HD3      ARG 828  -1.390 -11.232  -1.468
  620    HE   ARG 828           HE       ARG 828   1.175 -12.469  -1.983
  621   HH11  ARG 828          HH11      ARG 828  -1.588 -10.997  -3.637
  622   HH12  ARG 828          HH12      ARG 828  -0.615 -10.423  -4.956
  623   HH21  ARG 828          HH21      ARG 828   2.367 -11.781  -3.724
  624   HH22  ARG 828          HH22      ARG 828   1.609 -10.889  -5.017
  625    H    VAL 829           H        VAL 829   0.763 -13.770   2.739
  626    HA   VAL 829           HA       VAL 829   1.693 -11.282   4.118
  627    HB   VAL 829           HB       VAL 829   2.846 -12.591   5.835
  628   HG11  VAL 829          HG11      VAL 829   0.633 -11.587   6.310
  629   HG12  VAL 829          HG12      VAL 829  -0.138 -13.128   5.892
  630   HG13  VAL 829          HG13      VAL 829   0.960 -13.031   7.277
  631   HG21  VAL 829          HG21      VAL 829   2.306 -14.931   6.297
  632   HG22  VAL 829          HG22      VAL 829   1.254 -15.005   4.877
  633   HG23  VAL 829          HG23      VAL 829   3.014 -14.791   4.683
  634    H    GLY 830           H        GLY 830   4.125 -11.371   4.494
  635    HA2  GLY 830           HA2      GLY 830   5.498 -12.377   2.022
  636    HA3  GLY 830           HA3      GLY 830   6.023 -11.033   3.052
  637    H    MET 831           H        MET 831   7.653 -13.124   2.203
  638    HA   MET 831           HA       MET 831   8.886 -13.642   4.735
  639    HB2  MET 831           HB2      MET 831   7.257 -15.646   4.348
  640    HB3  MET 831           HB3      MET 831   8.411 -16.143   3.106
  641    HG2  MET 831           HG2      MET 831  10.219 -16.137   4.800
  642    HG3  MET 831           HG3      MET 831   9.019 -15.673   6.023
  643    HE1  MET 831           HE1      MET 831  10.606 -18.380   3.835
  644    HE2  MET 831           HE2      MET 831   9.512 -19.775   3.962
  645    HE3  MET 831           HE3      MET 831   9.021 -18.359   3.023
  646    H    LEU 832           H        LEU 832  11.107 -13.897   4.620
  647    HA   LEU 832           HA       LEU 832  12.521 -14.827   2.359
  648    HB2  LEU 832           HB2      LEU 832  11.731 -12.135   1.996
  649    HB3  LEU 832           HB3      LEU 832  13.360 -12.009   2.603
  650    HG   LEU 832           HG       LEU 832  14.118 -13.584   0.775
  651   HD11  LEU 832          HD11      LEU 832  12.617 -13.956  -1.178
  652   HD12  LEU 832          HD12      LEU 832  11.272 -13.206  -0.290
  653   HD13  LEU 832          HD13      LEU 832  11.970 -14.732   0.272
  654   HD21  LEU 832          HD21      LEU 832  14.307 -11.139   0.575
  655   HD22  LEU 832          HD22      LEU 832  12.669 -11.037  -0.094
  656   HD23  LEU 832          HD23      LEU 832  13.954 -11.866  -1.005
  657    H    LYS 833           H        LYS 833  14.937 -14.546   2.633
  658    HA   LYS 833           HA       LYS 833  15.546 -15.136   5.426
  659    HB2  LYS 833           HB2      LYS 833  17.281 -15.227   2.921
  660    HB3  LYS 833           HB3      LYS 833  17.744 -15.856   4.487
  661    HG2  LYS 833           HG2      LYS 833  15.516 -16.906   2.703
  662    HG3  LYS 833           HG3      LYS 833  17.057 -17.673   3.045
  663    HD2  LYS 833           HD2      LYS 833  14.756 -17.267   5.002
  664    HD3  LYS 833           HD3      LYS 833  15.307 -18.787   4.283
  665    HE2  LYS 833           HE2      LYS 833  17.504 -18.519   5.416
  666    HE3  LYS 833           HE3      LYS 833  16.917 -17.037   6.197
  667    HZ1  LYS 833           HZ1      LYS 833  15.744 -19.739   6.570
  668    HZ2  LYS 833           HZ2      LYS 833  15.189 -18.381   7.283
  669    HZ3  LYS 833           HZ3      LYS 833  16.667 -18.955   7.655
  670    H    GLU 834           H        GLU 834  15.380 -12.275   4.019
  671    HA   GLU 834           HA       GLU 834  17.421 -10.967   5.758
  672    HB2  GLU 834           HB2      GLU 834  16.978 -10.443   2.786
  673    HB3  GLU 834           HB3      GLU 834  17.876  -9.369   3.849
  674    HG2  GLU 834           HG2      GLU 834  18.620 -12.251   3.177
  675    HG3  GLU 834           HG3      GLU 834  19.345 -10.812   2.490
  676    H    LYS 835           H        LYS 835  16.942  -8.758   6.254
  677    HA   LYS 835           HA       LYS 835  14.151  -8.178   6.637
  678    HB2  LYS 835           HB2      LYS 835  15.074  -6.120   7.693
  679    HB3  LYS 835           HB3      LYS 835  15.767  -7.631   8.283
  680    HG2  LYS 835           HG2      LYS 835  17.767  -7.201   6.725
  681    HG3  LYS 835           HG3      LYS 835  17.049  -5.633   6.356
  682    HD2  LYS 835           HD2      LYS 835  18.764  -5.386   8.010
  683    HD3  LYS 835           HD3      LYS 835  17.198  -5.027   8.761
  684    HE2  LYS 835           HE2      LYS 835  17.188  -7.322   9.766
  685    HE3  LYS 835           HE3      LYS 835  18.752  -7.654   9.007
  686    HZ1  LYS 835           HZ1      LYS 835  19.705  -5.843  10.324
  687    HZ2  LYS 835           HZ2      LYS 835  18.987  -6.936  11.311
  688    HZ3  LYS 835           HZ3      LYS 835  18.238  -5.506  10.995
  689    H    THR 836           H        THR 836  12.927  -6.452   5.905
  690    HA   THR 836           HA       THR 836  13.072  -5.744   3.138
  691    HB   THR 836           HB       THR 836  11.370  -4.441   5.306
  692    HG1  THR 836           HG1      THR 836   9.917  -6.119   4.834
  693   HG21  THR 836          HG21      THR 836  11.181  -3.335   3.092
  694   HG22  THR 836          HG22      THR 836   9.711  -4.250   3.431
  695   HG23  THR 836          HG23      THR 836  10.924  -4.901   2.305
  696    H    GLY 837           H        GLY 837  13.920  -3.958   6.066
  697    HA2  GLY 837           HA2      GLY 837  15.580  -2.104   4.440
  698    HA3  GLY 837           HA3      GLY 837  14.416  -1.387   5.562
  699    HA   PRO 838           HA       PRO 838  18.531  -2.752   7.574
  700    HB2  PRO 838           HB2      PRO 838  19.965  -0.422   7.730
  701    HB3  PRO 838           HB3      PRO 838  19.948  -1.468   6.271
  702    HG2  PRO 838           HG2      PRO 838  18.253   1.003   6.814
  703    HG3  PRO 838           HG3      PRO 838  19.231   0.633   5.363
  704    HD2  PRO 838           HD2      PRO 838  16.566   0.125   5.442
  705    HD3  PRO 838           HD3      PRO 838  17.693  -1.007   4.629
  706    H    LYS 839           H        LYS 839  16.185  -0.252   8.267
  707    HA   LYS 839           HA       LYS 839  16.985   0.381  10.954
  708    HB2  LYS 839           HB2      LYS 839  15.507   1.725   9.443
  709    HB3  LYS 839           HB3      LYS 839  14.248   0.496   9.618
  710    HG2  LYS 839           HG2      LYS 839  14.128   0.941  12.046
  711    HG3  LYS 839           HG3      LYS 839  15.427   2.137  11.914
  712    HD2  LYS 839           HD2      LYS 839  12.704   2.321  10.538
  713    HD3  LYS 839           HD3      LYS 839  13.124   3.104  12.060
  714    HE2  LYS 839           HE2      LYS 839  14.951   4.366  10.901
  715    HE3  LYS 839           HE3      LYS 839  14.460   3.639   9.367
  716    HZ1  LYS 839           HZ1      LYS 839  12.289   4.692   9.633
  717    HZ2  LYS 839           HZ2      LYS 839  13.466   5.824   9.671
  718    HZ3  LYS 839           HZ3      LYS 839  12.735   5.368  11.055
  719    H    LEU 840           H        LEU 840  15.313  -2.399   9.662
  720    HA   LEU 840           HA       LEU 840  13.959  -3.186  12.082
  721    HB2  LEU 840           HB2      LEU 840  13.277  -3.806   9.741
  722    HB3  LEU 840           HB3      LEU 840  14.715  -4.819   9.624
  723    HG   LEU 840           HG       LEU 840  13.848  -6.267  11.451
  724   HD11  LEU 840          HD11      LEU 840  11.387  -4.458  11.335
  725   HD12  LEU 840          HD12      LEU 840  12.468  -4.674  12.729
  726   HD13  LEU 840          HD13      LEU 840  11.474  -6.021  12.184
  727   HD21  LEU 840          HD21      LEU 840  13.340  -6.824   9.113
  728   HD22  LEU 840          HD22      LEU 840  11.876  -5.822   9.165
  729   HD23  LEU 840          HD23      LEU 840  12.006  -7.290  10.173
  730    H    GLY 841           H        GLY 841  14.474  -4.796  13.560
  731    HA2  GLY 841           HA2      GLY 841  17.324  -5.212  14.166
  732    HA3  GLY 841           HA3      GLY 841  15.922  -5.684  15.143
  733    H    GLY 842           H        GLY 842  16.640  -7.730  15.591
  734    HA2  GLY 842           HA2      GLY 842  16.086  -9.846  13.689
  735    HA3  GLY 842           HA3      GLY 842  17.826  -9.641  13.910
  Start of MODEL   15
    1    H1   GLY  -4           H1       GLY  -4   3.842   1.699   0.183
    2    H2   GLY  -4           H2       GLY  -4   3.817   0.310   1.045
    3    H3   GLY  -4           H3       GLY  -4   4.613   0.381  -0.385
    4    HA2  GLY  -4           HA2      GLY  -4   5.346   1.858   2.063
    5    HA3  GLY  -4           HA3      GLY  -4   6.181   0.421   1.443
    6    HA   PRO  -3           HA       PRO  -3   8.138   4.442  -0.092
    7    HB2  PRO  -3           HB2      PRO  -3  10.563   3.034   1.016
    8    HB3  PRO  -3           HB3      PRO  -3  10.158   4.775   1.043
    9    HG2  PRO  -3           HG2      PRO  -3   9.825   3.257   3.262
   10    HG3  PRO  -3           HG3      PRO  -3   8.572   4.462   2.803
   11    HD2  PRO  -3           HD2      PRO  -3   8.577   1.479   2.313
   12    HD3  PRO  -3           HD3      PRO  -3   7.268   2.509   2.936
   13    H    MET  -2           H        MET  -2   9.297   4.689  -2.002
   14    HA   MET  -2           HA       MET  -2   9.755   2.322  -3.700
   15    HB2  MET  -2           HB2      MET  -2  10.047   5.310  -4.195
   16    HB3  MET  -2           HB3      MET  -2  10.322   4.068  -5.416
   17    HG2  MET  -2           HG2      MET  -2   7.662   4.519  -3.986
   18    HG3  MET  -2           HG3      MET  -2   8.097   5.144  -5.562
   19    HE1  MET  -2           HE1      MET  -2   7.689   1.716  -3.517
   20    HE2  MET  -2           HE2      MET  -2   6.156   2.575  -3.792
   21    HE3  MET  -2           HE3      MET  -2   6.461   1.014  -4.582
   22    H    GLY  -1           H        GLY  -1  11.723   2.112  -4.957
   23    HA2  GLY  -1           HA2      GLY  -1  14.054   2.061  -5.234
   24    HA3  GLY  -1           HA3      GLY  -1  14.263   3.083  -3.791
   25    H    MET 755           H        MET 755  12.241   0.349  -3.310
   26    HA   MET 755           HA       MET 755  13.940  -0.961  -1.444
   27    HB2  MET 755           HB2      MET 755  12.240  -2.742  -1.473
   28    HB3  MET 755           HB3      MET 755  11.534  -1.146  -1.278
   29    HG2  MET 755           HG2      MET 755  11.644  -2.609  -3.953
   30    HG3  MET 755           HG3      MET 755  10.330  -2.788  -2.815
   31    HE1  MET 755           HE1      MET 755   8.646  -0.743  -5.677
   32    HE2  MET 755           HE2      MET 755   9.882  -2.011  -5.836
   33    HE3  MET 755           HE3      MET 755   8.565  -2.189  -4.651
   34    H    GLN 756           H        GLN 756  14.989  -2.963  -1.503
   35    HA   GLN 756           HA       GLN 756  16.491  -3.455  -3.957
   36    HB2  GLN 756           HB2      GLN 756  16.457  -4.801  -1.223
   37    HB3  GLN 756           HB3      GLN 756  17.565  -5.232  -2.531
   38    HG2  GLN 756           HG2      GLN 756  18.523  -2.969  -2.526
   39    HG3  GLN 756           HG3      GLN 756  17.379  -2.437  -1.302
   40   HE21  GLN 756          HE21      GLN 756  19.980  -4.945  -1.810
   41   HE22  GLN 756          HE22      GLN 756  20.502  -4.892  -0.134
   42    H    SER 757           H        SER 757  13.687  -4.994  -2.434
   43    HA   SER 757           HA       SER 757  13.048  -6.466  -4.804
   44    HB2  SER 757           HB2      SER 757  14.917  -7.905  -3.751
   45    HB3  SER 757           HB3      SER 757  13.749  -8.253  -2.464
   46    HG   SER 757           HG       SER 757  13.764  -9.810  -4.219
   47    H    ILE 758           H        ILE 758  11.299  -8.234  -4.051
   48    HA   ILE 758           HA       ILE 758   9.276  -6.808  -2.332
   49    HB   ILE 758           HB       ILE 758   8.685  -8.710  -4.626
   50   HG12  ILE 758          HG12      ILE 758   9.761  -6.872  -5.722
   51   HG13  ILE 758          HG13      ILE 758   8.047  -6.786  -6.022
   52   HG21  ILE 758          HG21      ILE 758   6.838  -8.515  -3.051
   53   HG22  ILE 758          HG22      ILE 758   6.936  -6.750  -3.072
   54   HG23  ILE 758          HG23      ILE 758   6.419  -7.645  -4.520
   55   HD11  ILE 758          HD11      ILE 758   9.580  -5.061  -4.024
   56   HD12  ILE 758          HD12      ILE 758   8.998  -4.569  -5.621
   57   HD13  ILE 758          HD13      ILE 758   7.829  -4.959  -4.346
   58    H    ARG 759           H        ARG 759   7.988  -8.152  -0.959
   59    HA   ARG 759           HA       ARG 759   9.351 -10.374   0.218
   60    HB2  ARG 759           HB2      ARG 759   7.579 -10.371   1.836
   61    HB3  ARG 759           HB3      ARG 759   8.075  -8.721   1.478
   62    HG2  ARG 759           HG2      ARG 759   6.066  -8.546  -0.124
   63    HG3  ARG 759           HG3      ARG 759   5.569 -10.135   0.458
   64    HD2  ARG 759           HD2      ARG 759   5.629  -9.113   2.815
   65    HD3  ARG 759           HD3      ARG 759   5.810  -7.544   2.030
   66    HE   ARG 759           HE       ARG 759   3.626  -8.611   0.754
   67   HH11  ARG 759          HH11      ARG 759   4.290  -8.059   4.181
   68   HH12  ARG 759          HH12      ARG 759   2.601  -7.978   4.592
   69   HH21  ARG 759          HH21      ARG 759   1.476  -8.435   1.327
   70   HH22  ARG 759          HH22      ARG 759   1.033  -8.213   2.991
   71    H    GLU 760           H        GLU 760   8.433 -10.899  -2.566
   72    HA   GLU 760           HA       GLU 760   7.351 -13.606  -2.114
   73    HB2  GLU 760           HB2      GLU 760   5.956 -13.572  -4.053
   74    HB3  GLU 760           HB3      GLU 760   5.396 -12.361  -2.894
   75    HG2  GLU 760           HG2      GLU 760   6.587 -10.593  -4.295
   76    HG3  GLU 760           HG3      GLU 760   6.940 -11.851  -5.481
   77    H    GLN 761           H        GLN 761   8.087 -15.139  -3.777
   78    HA   GLN 761           HA       GLN 761  10.539 -14.229  -5.199
   79    HB2  GLN 761           HB2      GLN 761  11.871 -15.922  -4.040
   80    HB3  GLN 761           HB3      GLN 761  11.221 -14.729  -2.923
   81    HG2  GLN 761           HG2      GLN 761   9.378 -16.372  -2.343
   82    HG3  GLN 761           HG3      GLN 761  10.179 -17.576  -3.357
   83   HE21  GLN 761          HE21      GLN 761  10.454 -15.658  -0.328
   84   HE22  GLN 761          HE22      GLN 761  11.726 -16.674   0.344
   85    H    SER 762           H        SER 762  11.396 -15.603  -6.751
   86    HA   SER 762           HA       SER 762   9.377 -17.194  -8.123
   87    HB2  SER 762           HB2      SER 762  11.078 -17.284  -9.926
   88    HB3  SER 762           HB3      SER 762  10.652 -15.641  -9.431
   89    HG   SER 762           HG       SER 762  12.936 -15.900  -9.660
   90    H    CYS 763           H        CYS 763   9.802 -19.241  -9.092
   91    HA   CYS 763           HA       CYS 763  11.804 -21.069  -8.054
   92    HB2  CYS 763           HB2      CYS 763  10.202 -22.573  -6.905
   93    HB3  CYS 763           HB3      CYS 763  10.289 -20.996  -6.119
   94    HG   CYS 763           HG       CYS 763   8.176 -19.975  -7.400
   95    H    ARG 764           H        ARG 764  11.130 -23.415  -8.780
   96    HA   ARG 764           HA       ARG 764   9.966 -23.325 -11.515
   97    HB2  ARG 764           HB2      ARG 764  12.197 -24.513 -10.990
   98    HB3  ARG 764           HB3      ARG 764  11.197 -25.770 -10.230
   99    HG2  ARG 764           HG2      ARG 764   9.914 -25.934 -12.417
  100    HG3  ARG 764           HG3      ARG 764  11.030 -24.758 -13.125
  101    HD2  ARG 764           HD2      ARG 764  11.793 -27.447 -11.951
  102    HD3  ARG 764           HD3      ARG 764  11.522 -27.144 -13.681
  103    HE   ARG 764           HE       ARG 764  13.442 -25.271 -12.871
  104   HH11  ARG 764          HH11      ARG 764  13.289 -28.808 -13.117
  105   HH12  ARG 764          HH12      ARG 764  15.001 -28.951 -13.387
  106   HH21  ARG 764          HH21      ARG 764  15.659 -25.545 -13.178
  107   HH22  ARG 764          HH22      ARG 764  16.311 -27.138 -13.416
  108    H    VAL 765           H        VAL 765   8.155 -24.468 -12.023
  109    HA   VAL 765           HA       VAL 765   6.437 -25.601  -9.879
  110    HB   VAL 765           HB       VAL 765   4.526 -24.241 -10.719
  111   HG11  VAL 765          HG11      VAL 765   5.767 -23.423  -8.737
  112   HG12  VAL 765          HG12      VAL 765   6.861 -22.511  -9.799
  113   HG13  VAL 765          HG13      VAL 765   5.157 -22.090  -9.721
  114   HG21  VAL 765          HG21      VAL 765   6.562 -22.621 -12.281
  115   HG22  VAL 765          HG22      VAL 765   5.439 -23.779 -12.996
  116   HG23  VAL 765          HG23      VAL 765   4.819 -22.337 -12.167
  117    H    VAL 766           H        VAL 766   4.368 -26.499 -10.923
  118    HA   VAL 766           HA       VAL 766   4.951 -27.811 -13.552
  119    HB   VAL 766           HB       VAL 766   5.873 -29.242 -11.834
  120   HG11  VAL 766          HG11      VAL 766   3.085 -29.424 -10.609
  121   HG12  VAL 766          HG12      VAL 766   4.496 -30.399 -10.184
  122   HG13  VAL 766          HG13      VAL 766   4.519 -28.665  -9.890
  123   HG21  VAL 766          HG21      VAL 766   4.811 -31.347 -12.393
  124   HG22  VAL 766          HG22      VAL 766   3.334 -30.531 -12.904
  125   HG23  VAL 766          HG23      VAL 766   4.839 -30.303 -13.826
  126    H    THR 767           H        THR 767   3.213 -28.308 -14.757
  127    HA   THR 767           HA       THR 767   0.455 -28.021 -13.606
  128    HB   THR 767           HB       THR 767   1.320 -27.830 -16.514
  129    HG1  THR 767           HG1      THR 767   1.844 -25.974 -15.301
  130   HG21  THR 767          HG21      THR 767  -1.023 -27.075 -16.867
  131   HG22  THR 767          HG22      THR 767  -1.397 -27.458 -15.171
  132   HG23  THR 767          HG23      THR 767  -0.961 -28.754 -16.303
  133    H    CYS 768           H        CYS 768  -0.396 -29.948 -13.139
  134    HA   CYS 768           HA       CYS 768   0.421 -32.443 -14.505
  135    HB2  CYS 768           HB2      CYS 768  -0.172 -32.480 -12.085
  136    HB3  CYS 768           HB3      CYS 768  -1.804 -31.917 -12.504
  137    H    LYS 769           H        LYS 769  -0.363 -32.953 -16.411
  138    HA   LYS 769           HA       LYS 769  -2.595 -31.470 -17.640
  139    HB2  LYS 769           HB2      LYS 769  -0.812 -33.722 -18.676
  140    HB3  LYS 769           HB3      LYS 769  -1.984 -32.831 -19.634
  141    HG2  LYS 769           HG2      LYS 769   0.504 -31.637 -18.328
  142    HG3  LYS 769           HG3      LYS 769   0.297 -32.043 -20.033
  143    HD2  LYS 769           HD2      LYS 769  -1.589 -30.393 -20.168
  144    HD3  LYS 769           HD3      LYS 769  -1.256 -29.911 -18.496
  145    HE2  LYS 769           HE2      LYS 769   1.014 -29.223 -19.088
  146    HE3  LYS 769           HE3      LYS 769   0.803 -29.814 -20.739
  147    HZ1  LYS 769           HZ1      LYS 769  -0.910 -28.128 -21.050
  148    HZ2  LYS 769           HZ2      LYS 769   0.476 -27.411 -20.570
  149    HZ3  LYS 769           HZ3      LYS 769  -0.755 -27.607 -19.514
  150    H    THR 770           H        THR 770  -2.237 -34.437 -15.892
  151    HA   THR 770           HA       THR 770  -4.639 -35.720 -17.002
  152    HB   THR 770           HB       THR 770  -3.019 -36.461 -14.548
  153    HG1  THR 770           HG1      THR 770  -2.824 -37.365 -17.253
  154   HG21  THR 770          HG21      THR 770  -3.909 -38.745 -15.071
  155   HG22  THR 770          HG22      THR 770  -4.950 -38.027 -16.320
  156   HG23  THR 770          HG23      THR 770  -5.184 -37.611 -14.611
  157    H    CYS 771           H        CYS 771  -3.851 -33.903 -13.989
  158    HA   CYS 771           HA       CYS 771  -6.720 -34.015 -13.211
  159    HB2  CYS 771           HB2      CYS 771  -4.268 -32.976 -11.755
  160    HB3  CYS 771           HB3      CYS 771  -5.877 -33.107 -11.065
  161    H    LYS 772           H        LYS 772  -4.465 -31.813 -14.631
  162    HA   LYS 772           HA       LYS 772  -4.653 -29.801 -15.566
  163    HB2  LYS 772           HB2      LYS 772  -7.626 -29.876 -14.878
  164    HB3  LYS 772           HB3      LYS 772  -6.822 -28.684 -15.867
  165    HG2  LYS 772           HG2      LYS 772  -7.835 -30.118 -17.377
  166    HG3  LYS 772           HG3      LYS 772  -6.109 -30.501 -17.448
  167    HD2  LYS 772           HD2      LYS 772  -6.441 -32.581 -16.296
  168    HD3  LYS 772           HD3      LYS 772  -8.082 -32.125 -15.806
  169    HE2  LYS 772           HE2      LYS 772  -8.171 -33.767 -17.584
  170    HE3  LYS 772           HE3      LYS 772  -8.831 -32.232 -18.160
  171    HZ1  LYS 772           HZ1      LYS 772  -6.771 -31.824 -19.329
  172    HZ2  LYS 772           HZ2      LYS 772  -7.314 -33.308 -19.763
  173    HZ3  LYS 772           HZ3      LYS 772  -6.067 -33.156 -18.700
  174    H    TYR 773           H        TYR 773  -4.003 -30.115 -12.657
  175    HA   TYR 773           HA       TYR 773  -4.575 -27.343 -11.688
  176    HB2  TYR 773           HB2      TYR 773  -3.939 -28.005  -9.524
  177    HB3  TYR 773           HB3      TYR 773  -5.055 -29.201 -10.118
  178    HD1  TYR 773           HD1      TYR 773  -1.426 -28.522  -9.485
  179    HD2  TYR 773           HD2      TYR 773  -4.462 -31.516 -10.044
  180    HE1  TYR 773           HE1      TYR 773   0.194 -30.271  -8.786
  181    HE2  TYR 773           HE2      TYR 773  -2.888 -33.258  -9.237
  182    HH   TYR 773           HH       TYR 773  -0.692 -33.746  -8.670
  183    H    THR 774           H        THR 774  -2.877 -26.066 -10.815
  184    HA   THR 774           HA       THR 774  -0.119 -26.616 -11.843
  185    HB   THR 774           HB       THR 774  -1.233 -23.856 -11.295
  186    HG1  THR 774           HG1      THR 774  -1.537 -23.724 -13.552
  187   HG21  THR 774          HG21      THR 774   1.246 -24.105 -11.400
  188   HG22  THR 774          HG22      THR 774   0.631 -23.170 -12.769
  189   HG23  THR 774          HG23      THR 774   1.103 -24.869 -12.992
  190    H    HIS 775           H        HIS 775   1.510 -26.576 -10.322
  191    HA   HIS 775           HA       HIS 775   1.206 -25.336  -7.699
  192    HB2  HIS 775           HB2      HIS 775   0.147 -27.922  -7.949
  193    HB3  HIS 775           HB3      HIS 775   1.737 -28.229  -7.313
  194    HD1  HIS 775           HD1      HIS 775   1.936 -27.815  -4.682
  195    HD2  HIS 775           HD2      HIS 775  -1.478 -26.169  -6.513
  196    HE1  HIS 775           HE1      HIS 775   0.490 -26.897  -2.803
  197    H    PHE 776           H        PHE 776   3.203 -26.213  -6.251
  198    HA   PHE 776           HA       PHE 776   5.593 -25.521  -7.676
  199    HB2  PHE 776           HB2      PHE 776   5.550 -26.851  -4.961
  200    HB3  PHE 776           HB3      PHE 776   6.647 -25.629  -5.571
  201    HD1  PHE 776           HD1      PHE 776   5.547 -23.247  -6.130
  202    HD2  PHE 776           HD2      PHE 776   3.787 -26.245  -3.559
  203    HE1  PHE 776           HE1      PHE 776   3.996 -21.548  -5.191
  204    HE2  PHE 776           HE2      PHE 776   2.272 -24.525  -2.605
  205    HZ   PHE 776           HZ       PHE 776   2.354 -22.194  -3.453
  206    H    LYS 777           H        LYS 777   4.183 -28.639  -6.817
  207    HA   LYS 777           HA       LYS 777   6.087 -30.138  -8.444
  208    HB2  LYS 777           HB2      LYS 777   6.790 -31.586  -6.541
  209    HB3  LYS 777           HB3      LYS 777   7.407 -29.940  -6.430
  210    HG2  LYS 777           HG2      LYS 777   5.855 -29.353  -4.688
  211    HG3  LYS 777           HG3      LYS 777   4.865 -30.785  -4.981
  212    HD2  LYS 777           HD2      LYS 777   6.098 -31.137  -2.996
  213    HD3  LYS 777           HD3      LYS 777   6.697 -32.239  -4.258
  214    HE2  LYS 777           HE2      LYS 777   8.628 -30.713  -4.655
  215    HE3  LYS 777           HE3      LYS 777   8.008 -29.589  -3.445
  216    HZ1  LYS 777           HZ1      LYS 777   9.728 -31.006  -2.520
  217    HZ2  LYS 777           HZ2      LYS 777   8.919 -32.373  -2.920
  218    HZ3  LYS 777           HZ3      LYS 777   8.313 -31.366  -1.781
  219    HA   PRO 778           HA       PRO 778   2.467 -32.750  -8.666
  220    HB2  PRO 778           HB2      PRO 778   3.420 -35.173  -9.460
  221    HB3  PRO 778           HB3      PRO 778   3.494 -33.727 -10.512
  222    HG2  PRO 778           HG2      PRO 778   5.698 -34.848  -8.744
  223    HG3  PRO 778           HG3      PRO 778   5.801 -34.354 -10.471
  224    HD2  PRO 778           HD2      PRO 778   6.551 -32.713  -8.425
  225    HD3  PRO 778           HD3      PRO 778   5.807 -32.092  -9.928
  226    H    LYS 779           H        LYS 779   1.309 -34.331  -7.476
  227    HA   LYS 779           HA       LYS 779   2.228 -34.869  -4.769
  228    HB2  LYS 779           HB2      LYS 779  -0.171 -35.852  -6.360
  229    HB3  LYS 779           HB3      LYS 779   0.089 -36.188  -4.646
  230    HG2  LYS 779           HG2      LYS 779   0.060 -33.792  -4.114
  231    HG3  LYS 779           HG3      LYS 779  -0.183 -33.390  -5.818
  232    HD2  LYS 779           HD2      LYS 779  -2.086 -35.012  -4.061
  233    HD3  LYS 779           HD3      LYS 779  -2.288 -33.310  -4.495
  234    HE2  LYS 779           HE2      LYS 779  -2.406 -33.921  -6.903
  235    HE3  LYS 779           HE3      LYS 779  -2.233 -35.627  -6.493
  236    HZ1  LYS 779           HZ1      LYS 779  -4.319 -35.465  -5.225
  237    HZ2  LYS 779           HZ2      LYS 779  -4.556 -35.047  -6.792
  238    HZ3  LYS 779           HZ3      LYS 779  -4.477 -33.887  -5.648
  239    H    GLU 780           H        GLU 780   2.408 -36.949  -3.783
  240    HA   GLU 780           HA       GLU 780   4.035 -38.868  -5.175
  241    HB2  GLU 780           HB2      GLU 780   2.401 -39.159  -2.606
  242    HB3  GLU 780           HB3      GLU 780   3.548 -40.351  -3.212
  243    HG2  GLU 780           HG2      GLU 780   5.371 -38.647  -3.117
  244    HG3  GLU 780           HG3      GLU 780   4.233 -37.486  -2.431
  245    H    THR 781           H        THR 781   0.502 -38.648  -4.749
  246    HA   THR 781           HA       THR 781  -0.147 -41.188  -5.955
  247    HB   THR 781           HB       THR 781  -2.392 -40.014  -6.347
  248    HG1  THR 781           HG1      THR 781  -2.631 -38.077  -5.182
  249   HG21  THR 781          HG21      THR 781  -1.913 -41.468  -4.395
  250   HG22  THR 781          HG22      THR 781  -3.001 -40.126  -3.973
  251   HG23  THR 781          HG23      THR 781  -1.289 -40.061  -3.498
  252    H    CYS 782           H        CYS 782   0.237 -37.863  -7.315
  253    HA   CYS 782           HA       CYS 782  -0.430 -38.596  -9.987
  254    HB2  CYS 782           HB2      CYS 782   1.294 -36.316  -8.875
  255    HB3  CYS 782           HB3      CYS 782   0.840 -36.499 -10.556
  256    H    VAL 783           H        VAL 783   2.706 -38.522  -8.297
  257    HA   VAL 783           HA       VAL 783   4.268 -39.439 -10.546
  258    HB   VAL 783           HB       VAL 783   4.848 -39.587  -7.566
  259   HG11  VAL 783          HG11      VAL 783   6.251 -41.279  -8.678
  260   HG12  VAL 783          HG12      VAL 783   6.713 -40.109  -9.935
  261   HG13  VAL 783          HG13      VAL 783   7.239 -39.877  -8.248
  262   HG21  VAL 783          HG21      VAL 783   4.659 -37.284  -8.512
  263   HG22  VAL 783          HG22      VAL 783   6.322 -37.652  -8.039
  264   HG23  VAL 783          HG23      VAL 783   5.854 -37.687  -9.751
  265    H    SER 784           H        SER 784   2.712 -41.275  -7.838
  266    HA   SER 784           HA       SER 784   3.654 -43.848  -8.677
  267    HB2  SER 784           HB2      SER 784   2.850 -43.262  -6.403
  268    HB3  SER 784           HB3      SER 784   1.202 -43.141  -7.031
  269    HG   SER 784           HG       SER 784   2.865 -45.446  -6.812
  270    H    GLU 785           H        GLU 785   0.532 -42.188  -9.372
  271    HA   GLU 785           HA       GLU 785  -0.453 -44.353 -11.067
  272    HB2  GLU 785           HB2      GLU 785  -1.353 -41.478 -10.649
  273    HB3  GLU 785           HB3      GLU 785  -2.206 -42.640 -11.662
  274    HG2  GLU 785           HG2      GLU 785  -1.713 -43.005  -8.675
  275    HG3  GLU 785           HG3      GLU 785  -3.186 -42.366  -9.384
  276    H    ASN 786           H        ASN 786   1.991 -42.095 -11.581
  277    HA   ASN 786           HA       ASN 786   3.128 -41.345 -13.363
  278    HB2  ASN 786           HB2      ASN 786   1.966 -43.868 -14.567
  279    HB3  ASN 786           HB3      ASN 786   3.089 -42.835 -15.448
  280   HD21  ASN 786          HD21      ASN 786   2.863 -44.630 -12.273
  281   HD22  ASN 786          HD22      ASN 786   4.583 -44.965 -12.252
  282    H    HIS 787           H        HIS 787   1.033 -39.809 -12.911
  283    HA   HIS 787           HA       HIS 787  -0.575 -39.104 -15.220
  284    HB2  HIS 787           HB2      HIS 787   0.371 -37.532 -12.788
  285    HB3  HIS 787           HB3      HIS 787  -0.672 -36.876 -14.042
  286    HD2  HIS 787           HD2      HIS 787  -1.731 -40.401 -13.482
  287    HE1  HIS 787           HE1      HIS 787  -4.274 -38.161 -10.931
  288    HE2  HIS 787           HE2      HIS 787  -3.868 -40.439 -12.015
  289    H    ASP 788           H        ASP 788  -0.276 -37.332 -16.633
  290    HA   ASP 788           HA       ASP 788   2.540 -36.890 -17.477
  291    HB2  ASP 788           HB2      ASP 788  -0.132 -36.159 -18.733
  292    HB3  ASP 788           HB3      ASP 788   1.414 -35.626 -19.357
  293    H    PHE 789           H        PHE 789   3.598 -34.959 -17.224
  294    HA   PHE 789           HA       PHE 789   2.067 -32.567 -16.485
  295    HB2  PHE 789           HB2      PHE 789   4.284 -32.323 -14.818
  296    HB3  PHE 789           HB3      PHE 789   2.623 -32.508 -14.356
  297    HD1  PHE 789           HD1      PHE 789   5.876 -34.210 -14.687
  298    HD2  PHE 789           HD2      PHE 789   1.776 -34.557 -13.400
  299    HE1  PHE 789           HE1      PHE 789   6.469 -36.206 -13.319
  300    HE2  PHE 789           HE2      PHE 789   2.376 -36.543 -12.039
  301    HZ   PHE 789           HZ       PHE 789   4.723 -37.364 -11.984
  302    H    HIS 790           H        HIS 790   3.096 -30.620 -16.732
  303    HA   HIS 790           HA       HIS 790   5.639 -30.577 -18.333
  304    HB2  HIS 790           HB2      HIS 790   3.173 -28.807 -18.571
  305    HB3  HIS 790           HB3      HIS 790   4.756 -28.349 -19.178
  306    HD1  HIS 790           HD1      HIS 790   4.676 -28.572 -21.733
  307    HD2  HIS 790           HD2      HIS 790   2.834 -31.745 -19.675
  308    HE1  HIS 790           HE1      HIS 790   3.933 -30.226 -23.506
  309    H    TRP 791           H        TRP 791   7.253 -29.536 -17.350
  310    HA   TRP 791           HA       TRP 791   6.729 -27.899 -14.916
  311    HB2  TRP 791           HB2      TRP 791   9.261 -29.126 -16.052
  312    HB3  TRP 791           HB3      TRP 791   9.234 -28.037 -14.684
  313    HD1  TRP 791           HD1      TRP 791   8.109 -31.572 -15.672
  314    HE1  TRP 791           HE1      TRP 791   7.914 -33.016 -13.557
  315    HE3  TRP 791           HE3      TRP 791   8.852 -27.948 -12.120
  316    HZ2  TRP 791           HZ2      TRP 791   8.123 -32.661 -10.701
  317    HZ3  TRP 791           HZ3      TRP 791   8.857 -28.537  -9.711
  318    HH2  TRP 791           HH2      TRP 791   8.527 -30.883  -8.994
  319    H    HIS 792           H        HIS 792   7.592 -25.849 -14.623
  320    HA   HIS 792           HA       HIS 792   8.888 -24.282 -16.683
  321    HB2  HIS 792           HB2      HIS 792   7.053 -22.737 -17.122
  322    HB3  HIS 792           HB3      HIS 792   6.647 -24.345 -17.665
  323    HD1  HIS 792           HD1      HIS 792   5.204 -21.614 -15.632
  324    HD2  HIS 792           HD2      HIS 792   4.935 -25.807 -15.876
  325    HE1  HIS 792           HE1      HIS 792   2.980 -22.259 -14.567
  326    H    ASN 793           H        ASN 793   8.673 -21.769 -15.865
  327    HA   ASN 793           HA       ASN 793   9.241 -21.838 -12.944
  328    HB2  ASN 793           HB2      ASN 793   9.974 -19.887 -15.148
  329    HB3  ASN 793           HB3      ASN 793  10.133 -19.484 -13.433
  330   HD21  ASN 793          HD21      ASN 793  11.351 -21.140 -12.045
  331   HD22  ASN 793          HD22      ASN 793  12.792 -21.832 -12.778
  332    H    GLY 794           H        GLY 794   8.465 -20.224 -11.546
  333    HA2  GLY 794           HA2      GLY 794   6.171 -18.515 -12.257
  334    HA3  GLY 794           HA3      GLY 794   5.779 -19.871 -11.207
  335    H    VAL 795           H        VAL 795   5.155 -17.747 -10.026
  336    HA   VAL 795           HA       VAL 795   7.253 -17.186  -7.982
  337    HB   VAL 795           HB       VAL 795   5.311 -15.110  -9.118
  338   HG11  VAL 795          HG11      VAL 795   6.508 -13.524  -7.621
  339   HG12  VAL 795          HG12      VAL 795   5.637 -14.747  -6.696
  340   HG13  VAL 795          HG13      VAL 795   7.400 -14.873  -6.904
  341   HG21  VAL 795          HG21      VAL 795   8.353 -15.266  -9.266
  342   HG22  VAL 795          HG22      VAL 795   7.236 -15.473 -10.637
  343   HG23  VAL 795          HG23      VAL 795   7.360 -13.901  -9.829
  344    H    LYS 796           H        LYS 796   6.578 -17.369  -5.927
  345    HA   LYS 796           HA       LYS 796   3.806 -18.395  -5.553
  346    HB2  LYS 796           HB2      LYS 796   4.668 -19.820  -3.890
  347    HB3  LYS 796           HB3      LYS 796   5.775 -19.879  -5.256
  348    HG2  LYS 796           HG2      LYS 796   7.015 -17.947  -3.790
  349    HG3  LYS 796           HG3      LYS 796   6.170 -18.803  -2.489
  350    HD2  LYS 796           HD2      LYS 796   8.096 -20.001  -4.517
  351    HD3  LYS 796           HD3      LYS 796   8.450 -19.648  -2.819
  352    HE2  LYS 796           HE2      LYS 796   6.744 -21.273  -2.084
  353    HE3  LYS 796           HE3      LYS 796   6.317 -21.618  -3.766
  354    HZ1  LYS 796           HZ1      LYS 796   7.850 -23.269  -2.832
  355    HZ2  LYS 796           HZ2      LYS 796   8.980 -22.118  -2.571
  356    HZ3  LYS 796           HZ3      LYS 796   8.533 -22.509  -4.104
  357    H    ARG 797           H        ARG 797   2.559 -17.979  -3.819
  358    HA   ARG 797           HA       ARG 797   2.956 -15.377  -2.390
  359    HB2  ARG 797           HB2      ARG 797   0.382 -16.809  -3.180
  360    HB3  ARG 797           HB3      ARG 797   0.486 -15.241  -2.387
  361    HG2  ARG 797           HG2      ARG 797   1.571 -15.800  -5.180
  362    HG3  ARG 797           HG3      ARG 797  -0.030 -15.153  -4.857
  363    HD2  ARG 797           HD2      ARG 797   0.801 -13.106  -4.002
  364    HD3  ARG 797           HD3      ARG 797   2.411 -13.768  -3.715
  365    HE   ARG 797           HE       ARG 797   3.044 -13.115  -5.774
  366   HH11  ARG 797          HH11      ARG 797  -0.462 -13.557  -6.142
  367   HH12  ARG 797          HH12      ARG 797  -0.431 -12.830  -7.726
  368   HH21  ARG 797          HH21      ARG 797   3.002 -12.167  -7.590
  369   HH22  ARG 797          HH22      ARG 797   1.560 -12.052  -8.590
  370    H    PHE 798           H        PHE 798   2.837 -15.402  -0.225
  371    HA   PHE 798           HA       PHE 798   2.509 -18.031   1.131
  372    HB2  PHE 798           HB2      PHE 798   3.705 -15.453   2.202
  373    HB3  PHE 798           HB3      PHE 798   3.799 -17.062   2.897
  374    HD1  PHE 798           HD1      PHE 798   4.934 -18.920   1.398
  375    HD2  PHE 798           HD2      PHE 798   5.565 -14.674   0.964
  376    HE1  PHE 798           HE1      PHE 798   7.088 -19.344   0.247
  377    HE2  PHE 798           HE2      PHE 798   7.719 -15.085  -0.086
  378    HZ   PHE 798           HZ       PHE 798   8.491 -17.449  -0.495
  379    H    PHE 799           H        PHE 799   1.083 -18.360   2.798
  380    HA   PHE 799           HA       PHE 799  -0.717 -16.121   3.595
  381    HB2  PHE 799           HB2      PHE 799  -1.596 -18.936   2.925
  382    HB3  PHE 799           HB3      PHE 799  -2.625 -17.607   3.473
  383    HD1  PHE 799           HD1      PHE 799  -0.601 -18.910   0.622
  384    HD2  PHE 799           HD2      PHE 799  -3.318 -15.845   1.971
  385    HE1  PHE 799           HE1      PHE 799  -0.833 -18.091  -1.703
  386    HE2  PHE 799           HE2      PHE 799  -3.539 -15.019  -0.352
  387    HZ   PHE 799           HZ       PHE 799  -2.259 -16.124  -2.201
  388    H    LYS 800           H        LYS 800  -1.733 -16.237   5.572
  389    HA   LYS 800           HA       LYS 800  -0.839 -18.313   7.523
  390    HB2  LYS 800           HB2      LYS 800   0.547 -16.298   7.809
  391    HB3  LYS 800           HB3      LYS 800  -0.905 -15.284   7.926
  392    HG2  LYS 800           HG2      LYS 800  -1.578 -16.439   9.963
  393    HG3  LYS 800           HG3      LYS 800  -0.193 -17.542   9.856
  394    HD2  LYS 800           HD2      LYS 800   1.315 -15.546  10.106
  395    HD3  LYS 800           HD3      LYS 800  -0.102 -14.519  10.307
  396    HE2  LYS 800           HE2      LYS 800   0.707 -16.851  12.109
  397    HE3  LYS 800           HE3      LYS 800   0.908 -15.142  12.483
  398    HZ1  LYS 800           HZ1      LYS 800  -1.693 -16.537  12.139
  399    HZ2  LYS 800           HZ2      LYS 800  -1.528 -14.926  12.438
  400    HZ3  LYS 800           HZ3      LYS 800  -1.058 -16.014  13.550
  401    H    CYS 801           H        CYS 801  -2.269 -18.968   8.990
  402    HA   CYS 801           HA       CYS 801  -5.114 -18.075   8.877
  403    HB2  CYS 801           HB2      CYS 801  -4.473 -20.490   8.539
  404    HB3  CYS 801           HB3      CYS 801  -3.732 -20.481  10.144
  405    HA   PRO 802           HA       PRO 802  -4.673 -15.922  12.793
  406    HB2  PRO 802           HB2      PRO 802  -7.113 -16.568  14.052
  407    HB3  PRO 802           HB3      PRO 802  -6.812 -15.234  12.902
  408    HG2  PRO 802           HG2      PRO 802  -7.884 -18.018  12.316
  409    HG3  PRO 802           HG3      PRO 802  -8.477 -16.440  11.700
  410    HD2  PRO 802           HD2      PRO 802  -6.932 -17.932  10.150
  411    HD3  PRO 802           HD3      PRO 802  -6.584 -16.201  10.275
  412    H    CYS 803           H        CYS 803  -5.333 -19.437  12.947
  413    HA   CYS 803           HA       CYS 803  -4.631 -19.648  15.755
  414    HB2  CYS 803           HB2      CYS 803  -4.827 -21.986  15.452
  415    HB3  CYS 803           HB3      CYS 803  -6.133 -21.234  14.552
  416    H    GLY 804           H        GLY 804  -2.699 -19.121  13.012
  417    HA2  GLY 804           HA2      GLY 804  -0.338 -18.666  13.237
  418    HA3  GLY 804           HA3      GLY 804  -0.192 -19.986  14.422
  419    H    ASN 805           H        ASN 805  -2.082 -21.429  12.199
  420    HA   ASN 805           HA       ASN 805   0.042 -22.876  10.924
  421    HB2  ASN 805           HB2      ASN 805  -2.267 -23.729  11.423
  422    HB3  ASN 805           HB3      ASN 805  -2.874 -22.720  10.108
  423   HD21  ASN 805          HD21      ASN 805  -3.655 -24.684   9.061
  424   HD22  ASN 805          HD22      ASN 805  -2.484 -25.709   8.196
  425    H    ARG 806           H        ARG 806   0.485 -23.048   8.625
  426    HA   ARG 806           HA       ARG 806   0.233 -20.479   7.073
  427    HB2  ARG 806           HB2      ARG 806   2.712 -22.233   7.445
  428    HB3  ARG 806           HB3      ARG 806   2.607 -20.841   6.374
  429    HG2  ARG 806           HG2      ARG 806   2.370 -20.760   9.409
  430    HG3  ARG 806           HG3      ARG 806   3.795 -20.344   8.480
  431    HD2  ARG 806           HD2      ARG 806   1.129 -18.878   8.381
  432    HD3  ARG 806           HD3      ARG 806   2.555 -18.330   9.243
  433    HE   ARG 806           HE       ARG 806   2.040 -18.232   6.361
  434   HH11  ARG 806          HH11      ARG 806   4.605 -18.014   8.802
  435   HH12  ARG 806          HH12      ARG 806   5.697 -17.206   7.721
  436   HH21  ARG 806          HH21      ARG 806   3.500 -17.203   5.030
  437   HH22  ARG 806          HH22      ARG 806   5.079 -16.746   5.609
  438    H    THR 807           H        THR 807   0.518 -20.680   4.805
  439    HA   THR 807           HA       THR 807   0.946 -23.201   3.498
  440    HB   THR 807           HB       THR 807  -1.521 -23.356   4.116
  441    HG1  THR 807           HG1      THR 807  -0.654 -24.682   2.600
  442   HG21  THR 807          HG21      THR 807  -1.871 -21.427   1.775
  443   HG22  THR 807          HG22      THR 807  -2.223 -21.049   3.481
  444   HG23  THR 807          HG23      THR 807  -3.129 -22.314   2.639
  445    H    ILE 808           H        ILE 808   0.465 -22.852   1.023
  446    HA   ILE 808           HA       ILE 808   1.456 -20.198   0.134
  447    HB   ILE 808           HB       ILE 808   2.964 -22.695  -0.693
  448   HG12  ILE 808          HG12      ILE 808   3.706 -20.899   1.658
  449   HG13  ILE 808          HG13      ILE 808   3.330 -22.622   1.712
  450   HG21  ILE 808          HG21      ILE 808   4.622 -21.139  -1.503
  451   HG22  ILE 808          HG22      ILE 808   3.080 -20.536  -2.058
  452   HG23  ILE 808          HG23      ILE 808   3.848 -19.776  -0.661
  453   HD11  ILE 808          HD11      ILE 808   5.345 -23.092   0.330
  454   HD12  ILE 808          HD12      ILE 808   5.795 -21.372   0.469
  455   HD13  ILE 808          HD13      ILE 808   5.689 -22.385   1.914
  456    H    SER 809           H        SER 809   0.950 -19.759  -2.032
  457    HA   SER 809           HA       SER 809  -0.147 -21.919  -3.741
  458    HB2  SER 809           HB2      SER 809  -2.099 -20.920  -2.557
  459    HB3  SER 809           HB3      SER 809  -1.714 -19.354  -3.277
  460    HG   SER 809           HG       SER 809  -3.307 -20.650  -4.453
  461    H    LEU 810           H        LEU 810  -0.429 -21.174  -6.013
  462    HA   LEU 810           HA       LEU 810   1.508 -19.043  -6.850
  463    HB2  LEU 810           HB2      LEU 810   0.027 -21.206  -8.430
  464    HB3  LEU 810           HB3      LEU 810   1.128 -20.019  -9.116
  465    HG   LEU 810           HG       LEU 810   1.958 -22.161  -7.104
  466   HD11  LEU 810          HD11      LEU 810   3.038 -23.264  -8.959
  467   HD12  LEU 810          HD12      LEU 810   2.433 -22.033 -10.098
  468   HD13  LEU 810          HD13      LEU 810   1.293 -23.117  -9.254
  469   HD21  LEU 810          HD21      LEU 810   4.259 -21.487  -7.680
  470   HD22  LEU 810          HD22      LEU 810   3.383 -20.126  -6.991
  471   HD23  LEU 810          HD23      LEU 810   3.643 -20.215  -8.750
  472    H    ASP 811           H        ASP 811  -1.762 -19.453  -6.100
  473    HA   ASP 811           HA       ASP 811  -2.700 -17.252  -7.905
  474    HB2  ASP 811           HB2      ASP 811  -3.973 -19.474  -7.648
  475    HB3  ASP 811           HB3      ASP 811  -4.328 -18.952  -5.997
  476    H    ARG 812           H        ARG 812  -4.198 -15.684  -6.813
  477    HA   ARG 812           HA       ARG 812  -2.846 -14.253  -4.725
  478    HB2  ARG 812           HB2      ARG 812  -4.661 -12.643  -4.916
  479    HB3  ARG 812           HB3      ARG 812  -4.079 -13.117  -6.513
  480    HG2  ARG 812           HG2      ARG 812  -6.015 -14.590  -6.830
  481    HG3  ARG 812           HG3      ARG 812  -6.589 -14.248  -5.189
  482    HD2  ARG 812           HD2      ARG 812  -6.834 -11.850  -5.774
  483    HD3  ARG 812           HD3      ARG 812  -6.292 -12.202  -7.426
  484    HE   ARG 812           HE       ARG 812  -8.420 -13.952  -6.898
  485   HH11  ARG 812          HH11      ARG 812  -8.051 -10.440  -7.195
  486   HH12  ARG 812          HH12      ARG 812  -9.693 -10.227  -7.738
  487   HH21  ARG 812          HH21      ARG 812 -10.531 -13.604  -7.557
  488   HH22  ARG 812          HH22      ARG 812 -11.079 -11.994  -7.918
  489    H    LEU 813           H        LEU 813  -5.094 -16.839  -4.479
  490    HA   LEU 813           HA       LEU 813  -5.034 -16.675  -1.565
  491    HB2  LEU 813           HB2      LEU 813  -7.076 -15.305  -2.385
  492    HB3  LEU 813           HB3      LEU 813  -7.720 -16.824  -2.999
  493    HG   LEU 813           HG       LEU 813  -7.599 -17.705  -0.584
  494   HD11  LEU 813          HD11      LEU 813  -5.989 -15.995   0.330
  495   HD12  LEU 813          HD12      LEU 813  -7.518 -15.994   1.218
  496   HD13  LEU 813          HD13      LEU 813  -7.193 -14.730   0.019
  497   HD21  LEU 813          HD21      LEU 813  -9.690 -16.984  -1.624
  498   HD22  LEU 813          HD22      LEU 813  -9.367 -15.305  -1.156
  499   HD23  LEU 813          HD23      LEU 813  -9.662 -16.537   0.093
  500    HA   PRO 814           HA       PRO 814  -4.748 -21.048  -2.539
  501    HB2  PRO 814           HB2      PRO 814  -4.867 -22.200  -0.068
  502    HB3  PRO 814           HB3      PRO 814  -3.450 -21.241  -0.613
  503    HG2  PRO 814           HG2      PRO 814  -5.815 -20.288   1.030
  504    HG3  PRO 814           HG3      PRO 814  -4.075 -20.065   1.400
  505    HD2  PRO 814           HD2      PRO 814  -5.499 -18.128   0.200
  506    HD3  PRO 814           HD3      PRO 814  -3.836 -18.483  -0.348
  507    H    LYS 815           H        LYS 815  -6.005 -22.935  -2.675
  508    HA   LYS 815           HA       LYS 815  -8.901 -22.447  -2.583
  509    HB2  LYS 815           HB2      LYS 815  -9.073 -24.164  -4.144
  510    HB3  LYS 815           HB3      LYS 815  -7.624 -23.298  -4.602
  511    HG2  LYS 815           HG2      LYS 815  -7.765 -25.998  -3.170
  512    HG3  LYS 815           HG3      LYS 815  -7.398 -25.718  -4.866
  513    HD2  LYS 815           HD2      LYS 815  -5.309 -24.519  -4.197
  514    HD3  LYS 815           HD3      LYS 815  -5.640 -24.948  -2.500
  515    HE2  LYS 815           HE2      LYS 815  -5.684 -27.365  -3.144
  516    HE3  LYS 815           HE3      LYS 815  -5.277 -26.915  -4.807
  517    HZ1  LYS 815           HZ1      LYS 815  -3.557 -26.399  -2.438
  518    HZ2  LYS 815           HZ2      LYS 815  -3.185 -26.008  -3.979
  519    HZ3  LYS 815           HZ3      LYS 815  -3.314 -27.561  -3.561
  520    H    LYS 816           H        LYS 816  -6.767 -23.916  -0.468
  521    HA   LYS 816           HA       LYS 816  -8.626 -26.085   0.379
  522    HB2  LYS 816           HB2      LYS 816  -6.623 -27.169   1.278
  523    HB3  LYS 816           HB3      LYS 816  -6.523 -26.816  -0.436
  524    HG2  LYS 816           HG2      LYS 816  -4.392 -26.294   0.197
  525    HG3  LYS 816           HG3      LYS 816  -5.135 -24.702   0.236
  526    HD2  LYS 816           HD2      LYS 816  -3.786 -24.863   2.189
  527    HD3  LYS 816           HD3      LYS 816  -5.445 -25.034   2.765
  528    HE2  LYS 816           HE2      LYS 816  -5.092 -27.579   2.626
  529    HE3  LYS 816           HE3      LYS 816  -3.384 -27.250   2.306
  530    HZ1  LYS 816           HZ1      LYS 816  -4.905 -26.484   4.714
  531    HZ2  LYS 816           HZ2      LYS 816  -3.320 -26.075   4.454
  532    HZ3  LYS 816           HZ3      LYS 816  -3.760 -27.645   4.655
  533    H    HIS 817           H        HIS 817  -8.848 -26.675   2.609
  534    HA   HIS 817           HA       HIS 817  -9.259 -24.334   4.384
  535    HB2  HIS 817           HB2      HIS 817  -9.948 -27.293   4.630
  536    HB3  HIS 817           HB3      HIS 817 -10.247 -26.099   5.869
  537    HD1  HIS 817           HD1      HIS 817 -11.491 -26.935   2.298
  538    HD2  HIS 817           HD2      HIS 817 -12.382 -24.600   5.676
  539    HE1  HIS 817           HE1      HIS 817 -13.767 -25.933   1.871
  540    H    CYS 818           H        CYS 818  -8.551 -24.477   6.699
  541    HA   CYS 818           HA       CYS 818  -5.751 -24.785   6.956
  542    HB2  CYS 818           HB2      CYS 818  -7.125 -23.248   8.245
  543    HB3  CYS 818           HB3      CYS 818  -7.945 -24.593   9.045
  544    H    SER 819           H        SER 819  -4.457 -26.392   7.563
  545    HA   SER 819           HA       SER 819  -5.374 -29.141   7.827
  546    HB2  SER 819           HB2      SER 819  -2.625 -27.973   8.443
  547    HB3  SER 819           HB3      SER 819  -3.029 -29.661   8.098
  548    HG   SER 819           HG       SER 819  -2.167 -28.652   6.257
  549    H    THR 820           H        THR 820  -5.010 -26.557  10.110
  550    HA   THR 820           HA       THR 820  -4.410 -28.387  12.386
  551    HB   THR 820           HB       THR 820  -4.051 -25.380  12.041
  552    HG1  THR 820           HG1      THR 820  -1.832 -26.139  12.137
  553   HG21  THR 820          HG21      THR 820  -3.229 -27.203  14.352
  554   HG22  THR 820          HG22      THR 820  -4.416 -25.879  14.418
  555   HG23  THR 820          HG23      THR 820  -2.719 -25.513  14.111
  556    H    CYS 821           H        CYS 821  -6.723 -25.802  11.445
  557    HA   CYS 821           HA       CYS 821  -8.482 -26.733  13.677
  558    HB2  CYS 821           HB2      CYS 821  -9.190 -24.535  14.106
  559    HB3  CYS 821           HB3      CYS 821  -7.428 -24.591  14.223
  560    H    GLY 822           H        GLY 822  -8.366 -26.262  10.305
  561    HA2  GLY 822           HA2      GLY 822  -9.775 -27.431   8.871
  562    HA3  GLY 822           HA3      GLY 822 -10.990 -27.573  10.157
  563    H    LEU 823           H        LEU 823 -10.450 -24.348  10.091
  564    HA   LEU 823           HA       LEU 823 -12.760 -23.861   8.300
  565    HB2  LEU 823           HB2      LEU 823 -12.824 -21.642   9.337
  566    HB3  LEU 823           HB3      LEU 823 -12.974 -22.981  10.459
  567    HG   LEU 823           HG       LEU 823 -10.786 -22.648  11.353
  568   HD11  LEU 823          HD11      LEU 823  -9.385 -20.654  10.682
  569   HD12  LEU 823          HD12      LEU 823 -10.405 -20.477   9.249
  570   HD13  LEU 823          HD13      LEU 823  -9.425 -21.938   9.479
  571   HD21  LEU 823          HD21      LEU 823 -12.284 -20.013  11.082
  572   HD22  LEU 823          HD22      LEU 823 -11.087 -20.409  12.343
  573   HD23  LEU 823          HD23      LEU 823 -12.610 -21.295  12.270
  574    H    PHE 824           H        PHE 824 -12.480 -21.384   7.389
  575    HA   PHE 824           HA       PHE 824 -10.029 -21.302   5.691
  576    HB2  PHE 824           HB2      PHE 824 -11.991 -22.302   4.490
  577    HB3  PHE 824           HB3      PHE 824 -12.875 -20.805   4.720
  578    HD1  PHE 824           HD2      PHE 824 -10.107 -22.477   2.951
  579    HD2  PHE 824           HD1      PHE 824 -12.232 -18.758   3.445
  580    HE1  PHE 824           HE2      PHE 824  -9.091 -21.610   0.863
  581    HE2  PHE 824           HE1      PHE 824 -11.215 -17.894   1.355
  582    HZ   PHE 824           HZ       PHE 824  -9.642 -19.326   0.056
  583    H    LYS 825           H        LYS 825  -9.077 -19.682   6.823
  584    HA   LYS 825           HA       LYS 825 -10.260 -16.958   6.710
  585    HB2  LYS 825           HB2      LYS 825  -9.222 -18.324   9.240
  586    HB3  LYS 825           HB3      LYS 825  -9.466 -16.584   9.124
  587    HG2  LYS 825           HG2      LYS 825 -11.690 -18.631   8.842
  588    HG3  LYS 825           HG3      LYS 825 -11.272 -17.743  10.308
  589    HD2  LYS 825           HD2      LYS 825 -11.763 -15.591   9.174
  590    HD3  LYS 825           HD3      LYS 825 -12.207 -16.472   7.699
  591    HE2  LYS 825           HE2      LYS 825 -13.967 -17.692   8.974
  592    HE3  LYS 825           HE3      LYS 825 -13.532 -16.789  10.430
  593    HZ1  LYS 825           HZ1      LYS 825 -14.156 -14.749   9.281
  594    HZ2  LYS 825           HZ2      LYS 825 -15.426 -15.782   9.313
  595    HZ3  LYS 825           HZ3      LYS 825 -14.578 -15.582   7.936
  596    H    TRP 826           H        TRP 826  -8.191 -18.238   5.132
  597    HA   TRP 826           HA       TRP 826  -5.575 -17.527   5.919
  598    HB2  TRP 826           HB2      TRP 826  -6.763 -17.762   3.128
  599    HB3  TRP 826           HB3      TRP 826  -5.048 -17.695   3.507
  600    HD1  TRP 826           HD1      TRP 826  -7.678 -20.108   2.880
  601    HE1  TRP 826           HE1      TRP 826  -6.922 -22.487   3.425
  602    HE3  TRP 826           HE3      TRP 826  -3.555 -18.991   5.683
  603    HZ2  TRP 826           HZ2      TRP 826  -4.897 -23.743   5.087
  604    HZ3  TRP 826           HZ3      TRP 826  -2.257 -20.801   6.794
  605    HH2  TRP 826           HH2      TRP 826  -2.917 -23.174   6.500
  606    H    GLU 827           H        GLU 827  -4.436 -15.748   5.964
  607    HA   GLU 827           HA       GLU 827  -5.319 -13.269   4.559
  608    HB2  GLU 827           HB2      GLU 827  -5.157 -13.179   7.067
  609    HB3  GLU 827           HB3      GLU 827  -3.470 -13.655   6.955
  610    HG2  GLU 827           HG2      GLU 827  -3.579 -11.271   7.288
  611    HG3  GLU 827           HG3      GLU 827  -2.955 -11.583   5.678
  612    H    ARG 828           H        ARG 828  -3.942 -12.471   3.009
  613    HA   ARG 828           HA       ARG 828  -1.659 -14.097   2.182
  614    HB2  ARG 828           HB2      ARG 828  -3.226 -12.960   0.592
  615    HB3  ARG 828           HB3      ARG 828  -2.544 -11.409   1.075
  616    HG2  ARG 828           HG2      ARG 828  -0.368 -11.993   0.208
  617    HG3  ARG 828           HG3      ARG 828  -0.824 -13.688   0.032
  618    HD2  ARG 828           HD2      ARG 828  -0.777 -12.600  -2.147
  619    HD3  ARG 828           HD3      ARG 828  -2.397 -13.165  -1.754
  620    HE   ARG 828           HE       ARG 828  -1.433 -10.324  -1.641
  621   HH11  ARG 828          HH11      ARG 828  -4.229 -12.515  -2.036
  622   HH12  ARG 828          HH12      ARG 828  -5.317 -11.168  -2.214
  623   HH21  ARG 828          HH21      ARG 828  -2.921  -8.696  -1.919
  624   HH22  ARG 828          HH22      ARG 828  -4.600  -9.072  -2.178
  625    H    VAL 829           H        VAL 829   0.389 -13.819   2.621
  626    HA   VAL 829           HA       VAL 829   1.405 -11.361   3.990
  627    HB   VAL 829           HB       VAL 829   2.664 -12.683   5.614
  628   HG11  VAL 829          HG11      VAL 829  -0.298 -13.359   5.781
  629   HG12  VAL 829          HG12      VAL 829   0.867 -13.331   7.115
  630   HG13  VAL 829          HG13      VAL 829   0.450 -11.819   6.281
  631   HG21  VAL 829          HG21      VAL 829   1.134 -15.127   4.624
  632   HG22  VAL 829          HG22      VAL 829   2.865 -14.832   4.388
  633   HG23  VAL 829          HG23      VAL 829   2.211 -15.065   6.025
  634    H    GLY 830           H        GLY 830   3.946 -11.688   4.256
  635    HA2  GLY 830           HA2      GLY 830   5.058 -12.499   1.573
  636    HA3  GLY 830           HA3      GLY 830   5.707 -11.261   2.660
  637    H    MET 831           H        MET 831   7.390 -13.007   1.656
  638    HA   MET 831           HA       MET 831   8.716 -13.659   4.004
  639    HB2  MET 831           HB2      MET 831   7.615 -15.645   4.325
  640    HB3  MET 831           HB3      MET 831   7.662 -16.117   2.644
  641    HG2  MET 831           HG2      MET 831  10.090 -16.449   2.782
  642    HG3  MET 831           HG3      MET 831  10.063 -16.004   4.497
  643    HE1  MET 831           HE1      MET 831  11.194 -18.585   2.844
  644    HE2  MET 831           HE2      MET 831  11.548 -18.273   4.555
  645    HE3  MET 831           HE3      MET 831  10.911 -19.857   4.054
  646    H    LEU 832           H        LEU 832  10.820 -13.595   3.856
  647    HA   LEU 832           HA       LEU 832  12.344 -14.171   1.448
  648    HB2  LEU 832           HB2      LEU 832  11.233 -11.532   1.821
  649    HB3  LEU 832           HB3      LEU 832  12.921 -11.408   2.281
  650    HG   LEU 832           HG       LEU 832  13.575 -12.366   0.054
  651   HD11  LEU 832          HD11      LEU 832  10.567 -12.266  -0.471
  652   HD12  LEU 832          HD12      LEU 832  11.618 -13.681  -0.541
  653   HD13  LEU 832          HD13      LEU 832  11.799 -12.412  -1.752
  654   HD21  LEU 832          HD21      LEU 832  13.463  -9.935   0.426
  655   HD22  LEU 832          HD22      LEU 832  11.741  -9.922  -0.025
  656   HD23  LEU 832          HD23      LEU 832  12.974 -10.330  -1.235
  657    H    LYS 833           H        LYS 833  14.750 -13.105   2.017
  658    HA   LYS 833           HA       LYS 833  15.622 -14.880   4.037
  659    HB2  LYS 833           HB2      LYS 833  17.825 -14.182   3.448
  660    HB3  LYS 833           HB3      LYS 833  16.888 -14.117   1.960
  661    HG2  LYS 833           HG2      LYS 833  16.633 -11.632   2.266
  662    HG3  LYS 833           HG3      LYS 833  17.607 -11.735   3.740
  663    HD2  LYS 833           HD2      LYS 833  19.510 -12.658   2.373
  664    HD3  LYS 833           HD3      LYS 833  18.525 -12.395   0.931
  665    HE2  LYS 833           HE2      LYS 833  19.989 -10.525   1.112
  666    HE3  LYS 833           HE3      LYS 833  18.377  -9.954   1.526
  667    HZ1  LYS 833           HZ1      LYS 833  20.142  -9.163   3.055
  668    HZ2  LYS 833           HZ2      LYS 833  20.452 -10.688   3.525
  669    HZ3  LYS 833           HZ3      LYS 833  19.008  -9.988   3.868
  670    H    GLU 834           H        GLU 834  14.530 -11.797   4.486
  671    HA   GLU 834           HA       GLU 834  16.456 -11.060   6.606
  672    HB2  GLU 834           HB2      GLU 834  15.982  -9.700   4.468
  673    HB3  GLU 834           HB3      GLU 834  14.453  -9.260   5.200
  674    HG2  GLU 834           HG2      GLU 834  16.086  -7.510   5.563
  675    HG3  GLU 834           HG3      GLU 834  15.663  -8.231   7.115
  676    H    LYS 835           H        LYS 835  15.950 -10.836   8.684
  677    HA   LYS 835           HA       LYS 835  13.300 -11.328   9.751
  678    HB2  LYS 835           HB2      LYS 835  14.465 -10.553  11.923
  679    HB3  LYS 835           HB3      LYS 835  14.907 -12.065  11.169
  680    HG2  LYS 835           HG2      LYS 835  16.828 -10.866  12.078
  681    HG3  LYS 835           HG3      LYS 835  16.979 -11.215  10.363
  682    HD2  LYS 835           HD2      LYS 835  16.461  -8.874   9.811
  683    HD3  LYS 835           HD3      LYS 835  16.246  -8.484  11.533
  684    HE2  LYS 835           HE2      LYS 835  18.568  -8.896  11.999
  685    HE3  LYS 835           HE3      LYS 835  18.799  -9.763  10.476
  686    HZ1  LYS 835           HZ1      LYS 835  18.507  -7.758   9.263
  687    HZ2  LYS 835           HZ2      LYS 835  19.724  -7.568  10.348
  688    HZ3  LYS 835           HZ3      LYS 835  18.263  -6.875  10.648
  689    H    THR 836           H        THR 836  12.097  -9.943  11.139
  690    HA   THR 836           HA       THR 836  11.686  -7.210  10.141
  691    HB   THR 836           HB       THR 836   9.930  -7.153  11.953
  692    HG1  THR 836           HG1      THR 836   9.497  -9.105  13.006
  693   HG21  THR 836          HG21      THR 836   9.408  -7.905   9.625
  694   HG22  THR 836          HG22      THR 836   8.404  -8.708  10.847
  695   HG23  THR 836          HG23      THR 836   9.761  -9.580  10.103
  696    H    GLY 837           H        GLY 837  11.476  -5.410  11.752
  697    HA2  GLY 837           HA2      GLY 837  12.367  -4.068  13.469
  698    HA3  GLY 837           HA3      GLY 837  13.372  -5.429  14.003
  699    HA   PRO 838           HA       PRO 838  16.289  -2.323  12.280
  700    HB2  PRO 838           HB2      PRO 838  18.163  -4.221  13.713
  701    HB3  PRO 838           HB3      PRO 838  18.215  -2.432  13.630
  702    HG2  PRO 838           HG2      PRO 838  17.205  -3.658  15.831
  703    HG3  PRO 838           HG3      PRO 838  16.347  -2.249  15.124
  704    HD2  PRO 838           HD2      PRO 838  15.728  -5.195  14.778
  705    HD3  PRO 838           HD3      PRO 838  14.614  -3.832  15.107
  706    H    LYS 839           H        LYS 839  17.304  -2.329  10.345
  707    HA   LYS 839           HA       LYS 839  17.600  -4.766   8.781
  708    HB2  LYS 839           HB2      LYS 839  16.914  -2.484   7.946
  709    HB3  LYS 839           HB3      LYS 839  18.571  -1.925   8.207
  710    HG2  LYS 839           HG2      LYS 839  19.395  -3.618   6.580
  711    HG3  LYS 839           HG3      LYS 839  17.740  -4.240   6.385
  712    HD2  LYS 839           HD2      LYS 839  17.015  -2.045   5.509
  713    HD3  LYS 839           HD3      LYS 839  18.674  -1.420   5.688
  714    HE2  LYS 839           HE2      LYS 839  19.498  -3.186   4.140
  715    HE3  LYS 839           HE3      LYS 839  17.843  -3.796   3.960
  716    HZ1  LYS 839           HZ1      LYS 839  17.249  -1.604   3.016
  717    HZ2  LYS 839           HZ2      LYS 839  18.409  -2.363   2.126
  718    HZ3  LYS 839           HZ3      LYS 839  18.802  -1.122   3.117
  719    H    LEU 840           H        LEU 840  19.730  -2.898  10.819
  720    HA   LEU 840           HA       LEU 840  22.270  -3.871   9.916
  721    HB2  LEU 840           HB2      LEU 840  21.853  -1.826  11.316
  722    HB3  LEU 840           HB3      LEU 840  21.369  -2.866  12.653
  723    HG   LEU 840           HG       LEU 840  23.664  -3.799  12.763
  724   HD11  LEU 840          HD11      LEU 840  25.515  -2.686  11.520
  725   HD12  LEU 840          HD12      LEU 840  24.319  -1.756  10.582
  726   HD13  LEU 840          HD13      LEU 840  24.412  -3.524  10.430
  727   HD21  LEU 840          HD21      LEU 840  23.559  -0.748  12.840
  728   HD22  LEU 840          HD22      LEU 840  24.721  -1.780  13.702
  729   HD23  LEU 840          HD23      LEU 840  23.005  -1.841  14.131
  730    H    GLY 841           H        GLY 841  23.602  -5.492  10.761
  731    HA2  GLY 841           HA2      GLY 841  24.210  -7.416  11.913
  732    HA3  GLY 841           HA3      GLY 841  22.646  -7.449  12.745
  733    H    GLY 842           H        GLY 842  24.224  -9.548  11.394
  734    HA2  GLY 842           HA2      GLY 842  22.228 -11.233  10.406
  735    HA3  GLY 842           HA3      GLY 842  22.928 -10.463   8.970
  Start of MODEL   16
    1    H1   GLY  -4           H1       GLY  -4   3.815   0.125   2.941
    2    H2   GLY  -4           H2       GLY  -4   4.623  -1.298   2.846
    3    H3   GLY  -4           H3       GLY  -4   3.111  -1.184   2.236
    4    HA2  GLY  -4           HA2      GLY  -4   3.837   0.393   0.560
    5    HA3  GLY  -4           HA3      GLY  -4   5.468   0.272   1.227
    6    HA   PRO  -3           HA       PRO  -3   4.284  -3.138  -1.928
    7    HB2  PRO  -3           HB2      PRO  -3   5.097  -2.162  -4.347
    8    HB3  PRO  -3           HB3      PRO  -3   3.506  -1.778  -3.612
    9    HG2  PRO  -3           HG2      PRO  -3   6.048  -0.133  -3.521
   10    HG3  PRO  -3           HG3      PRO  -3   4.406   0.397  -3.992
   11    HD2  PRO  -3           HD2      PRO  -3   5.379   0.770  -1.467
   12    HD3  PRO  -3           HD3      PRO  -3   3.656   0.351  -1.743
   13    H    MET  -2           H        MET  -2   7.268  -1.307  -1.450
   14    HA   MET  -2           HA       MET  -2   9.011  -3.083  -2.901
   15    HB2  MET  -2           HB2      MET  -2   9.592  -0.926  -0.818
   16    HB3  MET  -2           HB3      MET  -2  10.807  -1.722  -1.815
   17    HG2  MET  -2           HG2      MET  -2   8.554   0.058  -2.795
   18    HG3  MET  -2           HG3      MET  -2  10.261   0.430  -2.753
   19    HE1  MET  -2           HE1      MET  -2  12.089  -0.679  -4.282
   20    HE2  MET  -2           HE2      MET  -2  11.574  -2.350  -3.920
   21    HE3  MET  -2           HE3      MET  -2  11.744  -1.817  -5.600
   22    H    GLY  -1           H        GLY  -1   7.432  -3.847  -0.110
   23    HA2  GLY  -1           HA2      GLY  -1   7.730  -5.553   1.453
   24    HA3  GLY  -1           HA3      GLY  -1   9.094  -6.116   0.471
   25    H    MET 755           H        MET 755  10.900  -6.219   1.567
   26    HA   MET 755           HA       MET 755  11.487  -4.304   3.785
   27    HB2  MET 755           HB2      MET 755  13.157  -5.908   4.529
   28    HB3  MET 755           HB3      MET 755  11.538  -6.565   4.482
   29    HG2  MET 755           HG2      MET 755  13.025  -8.268   3.717
   30    HG3  MET 755           HG3      MET 755  12.076  -7.743   2.345
   31    HE1  MET 755           HE1      MET 755  15.395  -6.054   3.923
   32    HE2  MET 755           HE2      MET 755  15.532  -7.815   4.096
   33    HE3  MET 755           HE3      MET 755  16.590  -6.951   2.964
   34    H    GLN 756           H        GLN 756  12.022  -4.478   0.623
   35    HA   GLN 756           HA       GLN 756  13.460  -2.677  -0.417
   36    HB2  GLN 756           HB2      GLN 756  15.552  -4.316   1.050
   37    HB3  GLN 756           HB3      GLN 756  15.938  -3.570  -0.495
   38    HG2  GLN 756           HG2      GLN 756  15.735  -1.389   0.246
   39    HG3  GLN 756           HG3      GLN 756  14.722  -1.800   1.620
   40   HE21  GLN 756          HE21      GLN 756  15.800  -3.221   3.360
   41   HE22  GLN 756          HE22      GLN 756  17.487  -2.832   3.731
   42    H    SER 757           H        SER 757  13.864  -6.183   0.008
   43    HA   SER 757           HA       SER 757  13.348  -6.648  -2.896
   44    HB2  SER 757           HB2      SER 757  14.124  -8.556  -0.659
   45    HB3  SER 757           HB3      SER 757  13.687  -9.055  -2.293
   46    HG   SER 757           HG       SER 757  15.982  -8.811  -1.964
   47    H    ILE 758           H        ILE 758  11.514  -7.837  -3.521
   48    HA   ILE 758           HA       ILE 758   9.126  -7.248  -1.975
   49    HB   ILE 758           HB       ILE 758   9.234  -9.024  -4.438
   50   HG12  ILE 758          HG12      ILE 758  10.541  -7.138  -5.151
   51   HG13  ILE 758          HG13      ILE 758   8.960  -7.065  -5.890
   52   HG21  ILE 758          HG21      ILE 758   7.053  -8.840  -3.317
   53   HG22  ILE 758          HG22      ILE 758   7.133  -7.079  -3.370
   54   HG23  ILE 758          HG23      ILE 758   6.996  -8.008  -4.870
   55   HD11  ILE 758          HD11      ILE 758   8.264  -5.287  -4.333
   56   HD12  ILE 758          HD12      ILE 758   9.848  -5.366  -3.517
   57   HD13  ILE 758          HD13      ILE 758   9.736  -4.833  -5.200
   58    H    ARG 759           H        ARG 759   7.705  -8.674  -0.949
   59    HA   ARG 759           HA       ARG 759   8.995 -10.968   0.234
   60    HB2  ARG 759           HB2      ARG 759   7.337 -10.886   1.892
   61    HB3  ARG 759           HB3      ARG 759   7.774  -9.231   1.468
   62    HG2  ARG 759           HG2      ARG 759   5.676  -9.293  -0.123
   63    HG3  ARG 759           HG3      ARG 759   5.205 -10.720   0.827
   64    HD2  ARG 759           HD2      ARG 759   5.611  -9.243   2.894
   65    HD3  ARG 759           HD3      ARG 759   5.622  -7.880   1.770
   66    HE   ARG 759           HE       ARG 759   3.315  -9.028   1.050
   67   HH11  ARG 759          HH11      ARG 759   4.397  -8.406   4.374
   68   HH12  ARG 759          HH12      ARG 759   2.776  -8.471   4.994
   69   HH21  ARG 759          HH21      ARG 759   1.266  -9.075   1.940
   70   HH22  ARG 759          HH22      ARG 759   1.043  -8.899   3.652
   71    H    GLU 760           H        GLU 760   8.607 -11.522  -2.363
   72    HA   GLU 760           HA       GLU 760   7.368 -14.141  -2.271
   73    HB2  GLU 760           HB2      GLU 760   6.104 -13.886  -4.392
   74    HB3  GLU 760           HB3      GLU 760   5.390 -13.007  -3.044
   75    HG2  GLU 760           HG2      GLU 760   6.185 -10.893  -3.903
   76    HG3  GLU 760           HG3      GLU 760   7.196 -11.691  -5.114
   77    H    GLN 761           H        GLN 761   8.056 -15.455  -4.253
   78    HA   GLN 761           HA       GLN 761  10.400 -14.349  -5.652
   79    HB2  GLN 761           HB2      GLN 761  12.000 -15.891  -4.736
   80    HB3  GLN 761           HB3      GLN 761  11.235 -15.006  -3.421
   81    HG2  GLN 761           HG2      GLN 761   9.657 -17.068  -3.178
   82    HG3  GLN 761           HG3      GLN 761  10.805 -17.904  -4.238
   83   HE21  GLN 761          HE21      GLN 761  10.356 -16.362  -1.063
   84   HE22  GLN 761          HE22      GLN 761  11.820 -17.000  -0.337
   85    H    SER 762           H        SER 762  11.126 -15.447  -7.421
   86    HA   SER 762           HA       SER 762   9.211 -17.038  -8.825
   87    HB2  SER 762           HB2      SER 762  12.135 -16.586  -9.513
   88    HB3  SER 762           HB3      SER 762  10.837 -17.049 -10.612
   89    HG   SER 762           HG       SER 762  11.326 -14.791 -10.726
   90    H    CYS 763           H        CYS 763   9.352 -19.128  -9.650
   91    HA   CYS 763           HA       CYS 763  11.323 -21.057  -8.586
   92    HB2  CYS 763           HB2      CYS 763   9.442 -20.668  -6.885
   93    HB3  CYS 763           HB3      CYS 763   8.329 -21.375  -8.065
   94    HG   CYS 763           HG       CYS 763   9.385 -23.727  -8.179
   95    H    ARG 764           H        ARG 764  11.098 -23.173  -9.603
   96    HA   ARG 764           HA       ARG 764   9.778 -23.163 -12.257
   97    HB2  ARG 764           HB2      ARG 764  12.091 -24.214 -11.849
   98    HB3  ARG 764           HB3      ARG 764  11.225 -25.513 -11.001
   99    HG2  ARG 764           HG2      ARG 764   9.855 -25.868 -13.101
  100    HG3  ARG 764           HG3      ARG 764  10.768 -24.579 -13.881
  101    HD2  ARG 764           HD2      ARG 764  11.610 -26.693 -14.627
  102    HD3  ARG 764           HD3      ARG 764  12.847 -25.883 -13.655
  103    HE   ARG 764           HE       ARG 764  11.250 -27.675 -12.039
  104   HH11  ARG 764          HH11      ARG 764  13.857 -27.762 -14.440
  105   HH12  ARG 764          HH12      ARG 764  14.522 -29.238 -13.785
  106   HH21  ARG 764          HH21      ARG 764  12.211 -29.571 -11.236
  107   HH22  ARG 764          HH22      ARG 764  13.682 -30.164 -11.971
  108    H    VAL 765           H        VAL 765   7.950 -24.315 -12.659
  109    HA   VAL 765           HA       VAL 765   6.416 -25.516 -10.396
  110    HB   VAL 765           HB       VAL 765   4.449 -24.184 -10.966
  111   HG11  VAL 765          HG11      VAL 765   6.843 -22.369 -10.456
  112   HG12  VAL 765          HG12      VAL 765   5.145 -21.990 -10.127
  113   HG13  VAL 765          HG13      VAL 765   5.949 -23.280  -9.215
  114   HG21  VAL 765          HG21      VAL 765   6.207 -22.602 -12.878
  115   HG22  VAL 765          HG22      VAL 765   4.948 -23.745 -13.359
  116   HG23  VAL 765          HG23      VAL 765   4.510 -22.281 -12.473
  117    H    VAL 766           H        VAL 766   4.336 -26.483 -11.201
  118    HA   VAL 766           HA       VAL 766   4.662 -27.797 -13.868
  119    HB   VAL 766           HB       VAL 766   5.804 -29.209 -12.308
  120   HG11  VAL 766          HG11      VAL 766   4.701 -30.317 -10.406
  121   HG12  VAL 766          HG12      VAL 766   4.883 -28.583 -10.154
  122   HG13  VAL 766          HG13      VAL 766   3.297 -29.264 -10.578
  123   HG21  VAL 766          HG21      VAL 766   4.683 -31.315 -12.637
  124   HG22  VAL 766          HG22      VAL 766   3.121 -30.509 -12.857
  125   HG23  VAL 766          HG23      VAL 766   4.414 -30.278 -14.063
  126    H    THR 767           H        THR 767   2.844 -28.210 -14.917
  127    HA   THR 767           HA       THR 767   0.204 -28.112 -13.485
  128    HB   THR 767           HB       THR 767   0.787 -27.753 -16.447
  129    HG1  THR 767           HG1      THR 767   1.237 -25.909 -15.263
  130   HG21  THR 767          HG21      THR 767  -1.847 -27.675 -14.882
  131   HG22  THR 767          HG22      THR 767  -1.384 -28.895 -16.103
  132   HG23  THR 767          HG23      THR 767  -1.636 -27.219 -16.586
  133    H    CYS 768           H        CYS 768  -0.516 -30.063 -12.992
  134    HA   CYS 768           HA       CYS 768   0.327 -32.516 -14.401
  135    HB2  CYS 768           HB2      CYS 768  -0.135 -32.481 -11.931
  136    HB3  CYS 768           HB3      CYS 768  -1.823 -32.105 -12.275
  137    H    LYS 769           H        LYS 769  -0.559 -33.077 -16.279
  138    HA   LYS 769           HA       LYS 769  -2.888 -31.684 -17.398
  139    HB2  LYS 769           HB2      LYS 769  -1.300 -34.050 -18.479
  140    HB3  LYS 769           HB3      LYS 769  -2.407 -33.028 -19.390
  141    HG2  LYS 769           HG2      LYS 769   0.286 -32.219 -18.202
  142    HG3  LYS 769           HG3      LYS 769  -0.077 -32.481 -19.897
  143    HD2  LYS 769           HD2      LYS 769  -1.255 -30.250 -18.184
  144    HD3  LYS 769           HD3      LYS 769   0.086 -30.083 -19.313
  145    HE2  LYS 769           HE2      LYS 769  -1.386 -30.856 -21.187
  146    HE3  LYS 769           HE3      LYS 769  -2.757 -30.923 -20.060
  147    HZ1  LYS 769           HZ1      LYS 769  -2.496 -28.533 -19.718
  148    HZ2  LYS 769           HZ2      LYS 769  -2.698 -28.847 -21.307
  149    HZ3  LYS 769           HZ3      LYS 769  -1.215 -28.476 -20.745
  150    H    THR 770           H        THR 770  -2.329 -34.677 -15.688
  151    HA   THR 770           HA       THR 770  -4.769 -36.022 -16.519
  152    HB   THR 770           HB       THR 770  -2.984 -36.554 -14.119
  153    HG1  THR 770           HG1      THR 770  -2.991 -37.683 -16.735
  154   HG21  THR 770          HG21      THR 770  -5.096 -37.755 -13.913
  155   HG22  THR 770          HG22      THR 770  -3.837 -38.894 -14.390
  156   HG23  THR 770          HG23      THR 770  -4.997 -38.322 -15.597
  157    H    CYS 771           H        CYS 771  -3.846 -34.193 -13.537
  158    HA   CYS 771           HA       CYS 771  -6.642 -34.357 -12.566
  159    HB2  CYS 771           HB2      CYS 771  -4.131 -33.183 -11.323
  160    HB3  CYS 771           HB3      CYS 771  -5.679 -33.402 -10.509
  161    H    LYS 772           H        LYS 772  -4.618 -32.050 -14.177
  162    HA   LYS 772           HA       LYS 772  -4.954 -30.030 -15.065
  163    HB2  LYS 772           HB2      LYS 772  -7.873 -30.204 -14.248
  164    HB3  LYS 772           HB3      LYS 772  -7.148 -29.116 -15.412
  165    HG2  LYS 772           HG2      LYS 772  -7.689 -30.543 -16.991
  166    HG3  LYS 772           HG3      LYS 772  -6.347 -31.549 -16.446
  167    HD2  LYS 772           HD2      LYS 772  -7.950 -32.810 -14.965
  168    HD3  LYS 772           HD3      LYS 772  -9.246 -31.741 -15.502
  169    HE2  LYS 772           HE2      LYS 772  -9.500 -33.698 -16.794
  170    HE3  LYS 772           HE3      LYS 772  -8.820 -32.494 -17.877
  171    HZ1  LYS 772           HZ1      LYS 772  -7.298 -34.619 -16.468
  172    HZ2  LYS 772           HZ2      LYS 772  -6.644 -33.565 -17.542
  173    HZ3  LYS 772           HZ3      LYS 772  -7.727 -34.679 -18.050
  174    H    TYR 773           H        TYR 773  -3.962 -30.174 -12.375
  175    HA   TYR 773           HA       TYR 773  -4.651 -27.403 -11.444
  176    HB2  TYR 773           HB2      TYR 773  -4.056 -27.917  -9.248
  177    HB3  TYR 773           HB3      TYR 773  -5.151 -29.191  -9.764
  178    HD1  TYR 773           HD2      TYR 773  -1.614 -28.342  -8.932
  179    HD2  TYR 773           HD1      TYR 773  -4.402 -31.497  -9.815
  180    HE1  TYR 773           HE2      TYR 773   0.093 -30.027  -8.244
  181    HE2  TYR 773           HE1      TYR 773  -2.744 -33.179  -9.044
  182    HH   TYR 773           HH       TYR 773  -0.561 -33.554  -8.377
  183    H    THR 774           H        THR 774  -2.929 -26.080 -10.713
  184    HA   THR 774           HA       THR 774  -0.186 -26.736 -11.731
  185    HB   THR 774           HB       THR 774  -1.369 -23.959 -11.483
  186    HG1  THR 774           HG1      THR 774  -0.930 -25.416 -13.878
  187   HG21  THR 774          HG21      THR 774   0.522 -23.350 -12.973
  188   HG22  THR 774          HG22      THR 774   1.133 -25.016 -12.894
  189   HG23  THR 774          HG23      THR 774   1.096 -24.008 -11.444
  190    H    HIS 775           H        HIS 775   1.452 -26.589 -10.317
  191    HA   HIS 775           HA       HIS 775   1.453 -24.954  -7.940
  192    HB2  HIS 775           HB2      HIS 775   0.439 -27.673  -7.703
  193    HB3  HIS 775           HB3      HIS 775   1.919 -27.526  -6.792
  194    HD1  HIS 775           HD1      HIS 775   1.889 -25.591  -4.761
  195    HD2  HIS 775           HD2      HIS 775  -1.729 -26.502  -6.697
  196    HE1  HIS 775           HE1      HIS 775   0.040 -24.685  -3.275
  197    H    PHE 776           H        PHE 776   3.556 -25.775  -6.541
  198    HA   PHE 776           HA       PHE 776   5.755 -25.356  -8.344
  199    HB2  PHE 776           HB2      PHE 776   6.712 -26.156  -5.754
  200    HB3  PHE 776           HB3      PHE 776   6.747 -24.583  -6.499
  201    HD1  PHE 776           HD2      PHE 776   4.924 -22.926  -6.031
  202    HD2  PHE 776           HD1      PHE 776   5.052 -26.762  -4.069
  203    HE1  PHE 776           HE2      PHE 776   3.239 -22.140  -4.400
  204    HE2  PHE 776           HE1      PHE 776   3.382 -25.959  -2.416
  205    HZ   PHE 776           HZ       PHE 776   2.472 -23.655  -2.582
  206    H    LYS 777           H        LYS 777   4.371 -28.293  -7.139
  207    HA   LYS 777           HA       LYS 777   6.276 -29.956  -8.592
  208    HB2  LYS 777           HB2      LYS 777   7.103 -31.198  -6.659
  209    HB3  LYS 777           HB3      LYS 777   7.520 -29.499  -6.524
  210    HG2  LYS 777           HG2      LYS 777   5.417 -29.238  -5.036
  211    HG3  LYS 777           HG3      LYS 777   5.349 -30.999  -4.984
  212    HD2  LYS 777           HD2      LYS 777   7.715 -29.270  -4.168
  213    HD3  LYS 777           HD3      LYS 777   6.515 -29.952  -3.054
  214    HE2  LYS 777           HE2      LYS 777   7.153 -32.258  -3.759
  215    HE3  LYS 777           HE3      LYS 777   8.369 -31.579  -4.847
  216    HZ1  LYS 777           HZ1      LYS 777   9.331 -32.263  -2.725
  217    HZ2  LYS 777           HZ2      LYS 777   8.352 -31.242  -1.899
  218    HZ3  LYS 777           HZ3      LYS 777   9.492 -30.651  -2.909
  219    HA   PRO 778           HA       PRO 778   2.692 -32.633  -8.582
  220    HB2  PRO 778           HB2      PRO 778   3.712 -35.025  -9.390
  221    HB3  PRO 778           HB3      PRO 778   3.651 -33.604 -10.468
  222    HG2  PRO 778           HG2      PRO 778   6.009 -34.631  -8.867
  223    HG3  PRO 778           HG3      PRO 778   5.963 -34.095 -10.566
  224    HD2  PRO 778           HD2      PRO 778   6.764 -32.506  -8.450
  225    HD3  PRO 778           HD3      PRO 778   6.045 -31.857  -9.947
  226    H    LYS 779           H        LYS 779   1.662 -34.261  -7.334
  227    HA   LYS 779           HA       LYS 779   2.709 -34.694  -4.658
  228    HB2  LYS 779           HB2      LYS 779   0.283 -35.765  -6.137
  229    HB3  LYS 779           HB3      LYS 779   0.624 -36.100  -4.436
  230    HG2  LYS 779           HG2      LYS 779   0.568 -33.713  -3.882
  231    HG3  LYS 779           HG3      LYS 779   0.211 -33.308  -5.567
  232    HD2  LYS 779           HD2      LYS 779  -1.549 -35.026  -3.757
  233    HD3  LYS 779           HD3      LYS 779  -1.798 -33.307  -4.099
  234    HE2  LYS 779           HE2      LYS 779  -2.065 -33.795  -6.506
  235    HE3  LYS 779           HE3      LYS 779  -1.772 -35.506  -6.218
  236    HZ1  LYS 779           HZ1      LYS 779  -4.135 -35.048  -6.344
  237    HZ2  LYS 779           HZ2      LYS 779  -4.055 -33.969  -5.115
  238    HZ3  LYS 779           HZ3      LYS 779  -3.769 -35.556  -4.835
  239    H    GLU 780           H        GLU 780   2.981 -36.743  -3.621
  240    HA   GLU 780           HA       GLU 780   4.646 -38.618  -4.914
  241    HB2  GLU 780           HB2      GLU 780   2.843 -39.179  -2.508
  242    HB3  GLU 780           HB3      GLU 780   4.280 -40.082  -2.997
  243    HG2  GLU 780           HG2      GLU 780   5.271 -38.834  -1.409
  244    HG3  GLU 780           HG3      GLU 780   5.468 -37.700  -2.735
  245    H    THR 781           H        THR 781   1.087 -38.674  -4.547
  246    HA   THR 781           HA       THR 781   0.651 -41.243  -5.807
  247    HB   THR 781           HB       THR 781  -1.690 -40.227  -6.146
  248    HG1  THR 781           HG1      THR 781  -2.048 -38.360  -4.891
  249   HG21  THR 781          HG21      THR 781  -1.106 -41.713  -4.255
  250   HG22  THR 781          HG22      THR 781  -2.235 -40.451  -3.749
  251   HG23  THR 781          HG23      THR 781  -0.515 -40.327  -3.324
  252    H    CYS 782           H        CYS 782   0.797 -37.897  -7.078
  253    HA   CYS 782           HA       CYS 782   0.102 -38.570  -9.759
  254    HB2  CYS 782           HB2      CYS 782   1.729 -36.266  -8.575
  255    HB3  CYS 782           HB3      CYS 782   1.296 -36.372 -10.260
  256    H    VAL 783           H        VAL 783   3.252 -38.446  -8.123
  257    HA   VAL 783           HA       VAL 783   4.765 -39.231 -10.485
  258    HB   VAL 783           HB       VAL 783   5.531 -39.303  -7.542
  259   HG11  VAL 783          HG11      VAL 783   7.901 -39.424  -8.394
  260   HG12  VAL 783          HG12      VAL 783   6.984 -40.890  -8.740
  261   HG13  VAL 783          HG13      VAL 783   7.266 -39.687 -10.033
  262   HG21  VAL 783          HG21      VAL 783   5.118 -37.017  -8.488
  263   HG22  VAL 783          HG22      VAL 783   6.820 -37.272  -8.108
  264   HG23  VAL 783          HG23      VAL 783   6.268 -37.358  -9.796
  265    H    SER 784           H        SER 784   3.443 -41.139  -7.682
  266    HA   SER 784           HA       SER 784   4.597 -43.619  -8.493
  267    HB2  SER 784           HB2      SER 784   2.266 -42.923  -6.673
  268    HB3  SER 784           HB3      SER 784   2.975 -44.518  -6.849
  269    HG   SER 784           HG       SER 784   4.153 -42.181  -5.786
  270    H    GLU 785           H        GLU 785   1.307 -42.248  -9.097
  271    HA   GLU 785           HA       GLU 785   0.498 -44.558 -10.732
  272    HB2  GLU 785           HB2      GLU 785  -0.690 -41.768 -10.377
  273    HB3  GLU 785           HB3      GLU 785  -1.413 -43.058 -11.350
  274    HG2  GLU 785           HG2      GLU 785  -1.631 -44.475  -9.345
  275    HG3  GLU 785           HG3      GLU 785  -0.931 -43.203  -8.344
  276    H    ASN 786           H        ASN 786   2.364 -41.708 -11.190
  277    HA   ASN 786           HA       ASN 786   3.581 -40.941 -12.852
  278    HB2  ASN 786           HB2      ASN 786   3.776 -43.589 -13.149
  279    HB3  ASN 786           HB3      ASN 786   3.028 -43.264 -14.701
  280   HD21  ASN 786          HD21      ASN 786   5.650 -42.224 -12.494
  281   HD22  ASN 786          HD22      ASN 786   6.811 -41.809 -13.763
  282    H    HIS 787           H        HIS 787   1.383 -39.672 -12.653
  283    HA   HIS 787           HA       HIS 787  -0.313 -39.311 -14.933
  284    HB2  HIS 787           HB2      HIS 787   0.575 -37.416 -12.716
  285    HB3  HIS 787           HB3      HIS 787  -0.651 -37.022 -13.906
  286    HD2  HIS 787           HD2      HIS 787  -1.223 -40.585 -12.983
  287    HE1  HIS 787           HE1      HIS 787  -3.579 -38.454 -10.167
  288    HE2  HIS 787           HE2      HIS 787  -3.055 -40.744 -11.128
  289    H    ASP 788           H        ASP 788  -0.311 -37.515 -16.427
  290    HA   ASP 788           HA       ASP 788   2.382 -36.916 -17.540
  291    HB2  ASP 788           HB2      ASP 788  -0.443 -36.342 -18.530
  292    HB3  ASP 788           HB3      ASP 788   1.031 -35.787 -19.329
  293    H    PHE 789           H        PHE 789   3.364 -34.931 -17.378
  294    HA   PHE 789           HA       PHE 789   1.786 -32.621 -16.462
  295    HB2  PHE 789           HB2      PHE 789   4.249 -32.344 -15.123
  296    HB3  PHE 789           HB3      PHE 789   2.643 -32.435 -14.458
  297    HD1  PHE 789           HD1      PHE 789   5.785 -34.242 -15.073
  298    HD2  PHE 789           HD2      PHE 789   1.832 -34.480 -13.378
  299    HE1  PHE 789           HE1      PHE 789   6.481 -36.215 -13.734
  300    HE2  PHE 789           HE2      PHE 789   2.550 -36.425 -12.016
  301    HZ   PHE 789           HZ       PHE 789   4.860 -37.304 -12.183
  302    H    HIS 790           H        HIS 790   2.623 -30.605 -16.870
  303    HA   HIS 790           HA       HIS 790   4.958 -30.427 -18.754
  304    HB2  HIS 790           HB2      HIS 790   2.347 -28.882 -18.675
  305    HB3  HIS 790           HB3      HIS 790   3.799 -28.227 -19.415
  306    HD1  HIS 790           HD1      HIS 790   3.410 -28.363 -21.944
  307    HD2  HIS 790           HD2      HIS 790   2.278 -31.836 -19.855
  308    HE1  HIS 790           HE1      HIS 790   2.687 -30.062 -23.706
  309    H    TRP 791           H        TRP 791   6.656 -29.359 -17.894
  310    HA   TRP 791           HA       TRP 791   6.305 -27.752 -15.426
  311    HB2  TRP 791           HB2      TRP 791   8.719 -28.975 -16.794
  312    HB3  TRP 791           HB3      TRP 791   8.836 -27.849 -15.451
  313    HD1  TRP 791           HD1      TRP 791   7.563 -31.407 -16.202
  314    HE1  TRP 791           HE1      TRP 791   7.553 -32.769 -14.016
  315    HE3  TRP 791           HE3      TRP 791   8.672 -27.668 -12.871
  316    HZ2  TRP 791           HZ2      TRP 791   8.034 -32.315 -11.222
  317    HZ3  TRP 791           HZ3      TRP 791   8.871 -28.151 -10.450
  318    HH2  TRP 791           HH2      TRP 791   8.576 -30.468  -9.611
  319    H    HIS 792           H        HIS 792   7.110 -25.691 -15.178
  320    HA   HIS 792           HA       HIS 792   8.168 -24.028 -17.308
  321    HB2  HIS 792           HB2      HIS 792   6.205 -22.586 -17.568
  322    HB3  HIS 792           HB3      HIS 792   5.862 -24.209 -18.103
  323    HD1  HIS 792           HD1      HIS 792   4.409 -21.567 -15.964
  324    HD2  HIS 792           HD2      HIS 792   4.369 -25.771 -16.226
  325    HE1  HIS 792           HE1      HIS 792   2.301 -22.342 -14.762
  326    H    ASN 793           H        ASN 793   7.558 -21.509 -16.343
  327    HA   ASN 793           HA       ASN 793   8.506 -21.595 -13.511
  328    HB2  ASN 793           HB2      ASN 793   9.100 -19.626 -15.746
  329    HB3  ASN 793           HB3      ASN 793   9.414 -19.280 -14.043
  330   HD21  ASN 793          HD21      ASN 793  10.736 -20.965 -12.815
  331   HD22  ASN 793          HD22      ASN 793  12.092 -21.652 -13.693
  332    H    GLY 794           H        GLY 794   7.826 -20.086 -12.022
  333    HA2  GLY 794           HA2      GLY 794   5.554 -18.277 -12.526
  334    HA3  GLY 794           HA3      GLY 794   5.193 -19.679 -11.538
  335    H    VAL 795           H        VAL 795   4.698 -17.794 -10.055
  336    HA   VAL 795           HA       VAL 795   7.009 -17.336  -8.225
  337    HB   VAL 795           HB       VAL 795   4.946 -15.232  -9.008
  338   HG11  VAL 795          HG11      VAL 795   6.236 -13.725  -7.461
  339   HG12  VAL 795          HG12      VAL 795   5.386 -15.017  -6.608
  340   HG13  VAL 795          HG13      VAL 795   7.135 -15.140  -6.880
  341   HG21  VAL 795          HG21      VAL 795   6.885 -13.902  -9.744
  342   HG22  VAL 795          HG22      VAL 795   7.972 -15.251  -9.351
  343   HG23  VAL 795          HG23      VAL 795   6.780 -15.406 -10.667
  344    H    LYS 796           H        LYS 796   6.556 -17.612  -6.115
  345    HA   LYS 796           HA       LYS 796   3.807 -18.558  -5.402
  346    HB2  LYS 796           HB2      LYS 796   4.815 -20.090  -3.908
  347    HB3  LYS 796           HB3      LYS 796   5.677 -20.189  -5.436
  348    HG2  LYS 796           HG2      LYS 796   7.300 -18.410  -4.239
  349    HG3  LYS 796           HG3      LYS 796   6.634 -19.124  -2.775
  350    HD2  LYS 796           HD2      LYS 796   8.018 -20.577  -5.065
  351    HD3  LYS 796           HD3      LYS 796   8.739 -20.189  -3.502
  352    HE2  LYS 796           HE2      LYS 796   7.039 -21.607  -2.352
  353    HE3  LYS 796           HE3      LYS 796   6.328 -22.030  -3.910
  354    HZ1  LYS 796           HZ1      LYS 796   7.867 -23.740  -3.166
  355    HZ2  LYS 796           HZ2      LYS 796   9.096 -22.678  -3.045
  356    HZ3  LYS 796           HZ3      LYS 796   8.487 -23.044  -4.516
  357    H    ARG 797           H        ARG 797   2.799 -17.954  -3.565
  358    HA   ARG 797           HA       ARG 797   3.849 -15.627  -2.014
  359    HB2  ARG 797           HB2      ARG 797   0.957 -15.842  -1.953
  360    HB3  ARG 797           HB3      ARG 797   1.967 -14.456  -2.310
  361    HG2  ARG 797           HG2      ARG 797   1.148 -16.586  -4.337
  362    HG3  ARG 797           HG3      ARG 797   0.290 -15.080  -4.066
  363    HD2  ARG 797           HD2      ARG 797   1.976 -13.746  -4.944
  364    HD3  ARG 797           HD3      ARG 797   3.213 -14.999  -4.832
  365    HE   ARG 797           HE       ARG 797   1.318 -16.105  -6.517
  366   HH11  ARG 797          HH11      ARG 797   3.209 -13.110  -6.698
  367   HH12  ARG 797          HH12      ARG 797   3.084 -13.061  -8.439
  368   HH21  ARG 797          HH21      ARG 797   1.275 -16.067  -8.650
  369   HH22  ARG 797          HH22      ARG 797   2.017 -14.765  -9.566
  370    H    PHE 798           H        PHE 798   3.243 -15.536   0.176
  371    HA   PHE 798           HA       PHE 798   2.921 -18.233   1.430
  372    HB2  PHE 798           HB2      PHE 798   4.270 -15.713   2.487
  373    HB3  PHE 798           HB3      PHE 798   4.315 -17.332   3.197
  374    HD1  PHE 798           HD2      PHE 798   5.039 -19.182   1.212
  375    HD2  PHE 798           HD1      PHE 798   6.375 -15.085   1.553
  376    HE1  PHE 798           HE2      PHE 798   7.099 -19.737  -0.039
  377    HE2  PHE 798           HE1      PHE 798   8.451 -15.681   0.419
  378    HZ   PHE 798           HZ       PHE 798   8.822 -18.002  -0.435
  379    H    PHE 799           H        PHE 799   1.442 -18.611   3.060
  380    HA   PHE 799           HA       PHE 799  -0.317 -16.348   3.885
  381    HB2  PHE 799           HB2      PHE 799  -1.233 -19.108   3.031
  382    HB3  PHE 799           HB3      PHE 799  -2.254 -17.782   3.604
  383    HD1  PHE 799           HD2      PHE 799  -0.177 -19.011   0.776
  384    HD2  PHE 799           HD1      PHE 799  -2.837 -15.908   2.183
  385    HE1  PHE 799           HE2      PHE 799  -0.332 -18.095  -1.522
  386    HE2  PHE 799           HE1      PHE 799  -3.021 -15.033  -0.122
  387    HZ   PHE 799           HZ       PHE 799  -1.730 -16.095  -1.969
  388    H    LYS 800           H        LYS 800  -1.406 -16.517   5.799
  389    HA   LYS 800           HA       LYS 800  -0.759 -18.731   7.683
  390    HB2  LYS 800           HB2      LYS 800   0.795 -16.857   8.081
  391    HB3  LYS 800           HB3      LYS 800  -0.581 -15.743   8.233
  392    HG2  LYS 800           HG2      LYS 800  -1.318 -16.825  10.264
  393    HG3  LYS 800           HG3      LYS 800  -0.139 -18.133  10.079
  394    HD2  LYS 800           HD2      LYS 800   1.697 -16.473  10.327
  395    HD3  LYS 800           HD3      LYS 800   0.487 -15.183  10.533
  396    HE2  LYS 800           HE2      LYS 800  -0.434 -16.382  12.520
  397    HE3  LYS 800           HE3      LYS 800   0.805 -17.632  12.330
  398    HZ1  LYS 800           HZ1      LYS 800   1.366 -14.772  12.879
  399    HZ2  LYS 800           HZ2      LYS 800   2.498 -15.941  12.729
  400    HZ3  LYS 800           HZ3      LYS 800   1.449 -15.969  13.976
  401    H    CYS 801           H        CYS 801  -2.337 -19.322   9.039
  402    HA   CYS 801           HA       CYS 801  -5.065 -18.152   8.787
  403    HB2  CYS 801           HB2      CYS 801  -4.633 -20.599   8.371
  404    HB3  CYS 801           HB3      CYS 801  -4.011 -20.733  10.021
  405    HA   PRO 802           HA       PRO 802  -4.604 -16.167  12.768
  406    HB2  PRO 802           HB2      PRO 802  -7.170 -16.470  13.873
  407    HB3  PRO 802           HB3      PRO 802  -6.626 -15.207  12.727
  408    HG2  PRO 802           HG2      PRO 802  -8.020 -17.827  12.110
  409    HG3  PRO 802           HG3      PRO 802  -8.378 -16.191  11.463
  410    HD2  PRO 802           HD2      PRO 802  -6.943 -17.886   9.996
  411    HD3  PRO 802           HD3      PRO 802  -6.397 -16.201  10.132
  412    H    CYS 803           H        CYS 803  -5.504 -19.597  12.792
  413    HA   CYS 803           HA       CYS 803  -5.074 -19.900  15.663
  414    HB2  CYS 803           HB2      CYS 803  -5.408 -22.230  15.283
  415    HB3  CYS 803           HB3      CYS 803  -6.627 -21.344  14.384
  416    H    GLY 804           H        GLY 804  -2.971 -19.477  13.043
  417    HA2  GLY 804           HA2      GLY 804  -0.596 -19.252  13.355
  418    HA3  GLY 804           HA3      GLY 804  -0.607 -20.612  14.494
  419    H    ASN 805           H        ASN 805  -2.541 -21.831  12.174
  420    HA   ASN 805           HA       ASN 805  -0.535 -23.445  10.946
  421    HB2  ASN 805           HB2      ASN 805  -2.978 -23.997  11.311
  422    HB3  ASN 805           HB3      ASN 805  -3.351 -22.959   9.928
  423   HD21  ASN 805          HD21      ASN 805  -4.349 -25.024   9.134
  424   HD22  ASN 805          HD22      ASN 805  -3.285 -26.214   8.378
  425    H    ARG 806           H        ARG 806   0.017 -23.598   8.642
  426    HA   ARG 806           HA       ARG 806   0.177 -20.956   7.230
  427    HB2  ARG 806           HB2      ARG 806   2.400 -22.995   7.700
  428    HB3  ARG 806           HB3      ARG 806   2.549 -21.575   6.676
  429    HG2  ARG 806           HG2      ARG 806   2.120 -21.560   9.700
  430    HG3  ARG 806           HG3      ARG 806   3.630 -21.241   8.841
  431    HD2  ARG 806           HD2      ARG 806   1.110 -19.549   8.753
  432    HD3  ARG 806           HD3      ARG 806   2.599 -19.159   9.599
  433    HE   ARG 806           HE       ARG 806   2.013 -18.923   6.739
  434   HH11  ARG 806          HH11      ARG 806   4.697 -19.001   9.059
  435   HH12  ARG 806          HH12      ARG 806   5.799 -18.280   7.927
  436   HH21  ARG 806          HH21      ARG 806   3.490 -18.050   5.349
  437   HH22  ARG 806          HH22      ARG 806   5.130 -17.744   5.861
  438    H    THR 807           H        THR 807   0.538 -21.041   4.976
  439    HA   THR 807           HA       THR 807   0.892 -23.504   3.543
  440    HB   THR 807           HB       THR 807  -1.589 -23.571   4.003
  441    HG1  THR 807           HG1      THR 807  -1.930 -24.336   1.924
  442   HG21  THR 807          HG21      THR 807  -1.713 -21.423   1.847
  443   HG22  THR 807          HG22      THR 807  -2.108 -21.161   3.561
  444   HG23  THR 807          HG23      THR 807  -3.077 -22.286   2.601
  445    H    ILE 808           H        ILE 808   0.601 -23.049   1.104
  446    HA   ILE 808           HA       ILE 808   1.811 -20.446   0.305
  447    HB   ILE 808           HB       ILE 808   3.113 -23.137  -0.325
  448   HG12  ILE 808          HG12      ILE 808   3.938 -21.101   1.791
  449   HG13  ILE 808          HG13      ILE 808   3.485 -22.784   2.033
  450   HG21  ILE 808          HG21      ILE 808   3.445 -21.304  -2.024
  451   HG22  ILE 808          HG22      ILE 808   4.157 -20.297  -0.749
  452   HG23  ILE 808          HG23      ILE 808   4.931 -21.800  -1.269
  453   HD11  ILE 808          HD11      ILE 808   6.031 -21.807   0.719
  454   HD12  ILE 808          HD12      ILE 808   5.839 -22.652   2.259
  455   HD13  ILE 808          HD13      ILE 808   5.497 -23.507   0.734
  456    H    SER 809           H        SER 809   1.392 -19.957  -1.894
  457    HA   SER 809           HA       SER 809   0.239 -22.024  -3.655
  458    HB2  SER 809           HB2      SER 809  -1.726 -21.130  -2.424
  459    HB3  SER 809           HB3      SER 809  -1.346 -19.506  -3.024
  460    HG   SER 809           HG       SER 809  -2.930 -20.697  -4.303
  461    H    LEU 810           H        LEU 810  -0.005 -21.254  -5.893
  462    HA   LEU 810           HA       LEU 810   1.967 -19.165  -6.680
  463    HB2  LEU 810           HB2      LEU 810   0.199 -21.048  -8.295
  464    HB3  LEU 810           HB3      LEU 810   1.355 -19.909  -8.976
  465    HG   LEU 810           HG       LEU 810   2.101 -22.287  -7.195
  466   HD11  LEU 810          HD11      LEU 810   2.472 -21.852 -10.180
  467   HD12  LEU 810          HD12      LEU 810   1.301 -22.945  -9.413
  468   HD13  LEU 810          HD13      LEU 810   3.039 -23.239  -9.219
  469   HD21  LEU 810          HD21      LEU 810   3.720 -20.477  -6.896
  470   HD22  LEU 810          HD22      LEU 810   3.856 -20.274  -8.661
  471   HD23  LEU 810          HD23      LEU 810   4.429 -21.752  -7.887
  472    H    ASP 811           H        ASP 811  -1.413 -19.457  -6.012
  473    HA   ASP 811           HA       ASP 811  -2.167 -17.071  -7.621
  474    HB2  ASP 811           HB2      ASP 811  -3.589 -19.164  -7.464
  475    HB3  ASP 811           HB3      ASP 811  -3.869 -18.750  -5.762
  476    H    ARG 812           H        ARG 812  -3.456 -15.422  -6.516
  477    HA   ARG 812           HA       ARG 812  -2.085 -14.212  -4.287
  478    HB2  ARG 812           HB2      ARG 812  -3.768 -12.423  -4.494
  479    HB3  ARG 812           HB3      ARG 812  -2.959 -12.820  -5.990
  480    HG2  ARG 812           HG2      ARG 812  -5.243 -12.327  -6.436
  481    HG3  ARG 812           HG3      ARG 812  -4.957 -14.022  -6.807
  482    HD2  ARG 812           HD2      ARG 812  -6.191 -14.721  -4.828
  483    HD3  ARG 812           HD3      ARG 812  -6.184 -13.081  -4.183
  484    HE   ARG 812           HE       ARG 812  -7.922 -12.485  -5.588
  485   HH11  ARG 812          HH11      ARG 812  -6.918 -15.778  -6.531
  486   HH12  ARG 812          HH12      ARG 812  -8.378 -16.022  -7.442
  487   HH21  ARG 812          HH21      ARG 812  -9.742 -12.902  -6.791
  488   HH22  ARG 812          HH22      ARG 812  -9.915 -14.417  -7.635
  489    H    LEU 813           H        LEU 813  -4.523 -16.582  -4.280
  490    HA   LEU 813           HA       LEU 813  -4.577 -16.537  -1.370
  491    HB2  LEU 813           HB2      LEU 813  -6.484 -14.998  -2.201
  492    HB3  LEU 813           HB3      LEU 813  -7.212 -16.444  -2.884
  493    HG   LEU 813           HG       LEU 813  -7.206 -17.438  -0.514
  494   HD11  LEU 813          HD11      LEU 813  -7.078 -15.852   1.364
  495   HD12  LEU 813          HD12      LEU 813  -6.666 -14.526   0.256
  496   HD13  LEU 813          HD13      LEU 813  -5.528 -15.857   0.516
  497   HD21  LEU 813          HD21      LEU 813  -9.212 -16.149   0.150
  498   HD22  LEU 813          HD22      LEU 813  -9.227 -16.548  -1.585
  499   HD23  LEU 813          HD23      LEU 813  -8.816 -14.904  -1.049
  500    HA   PRO 814           HA       PRO 814  -4.441 -20.874  -2.503
  501    HB2  PRO 814           HB2      PRO 814  -4.730 -22.117  -0.083
  502    HB3  PRO 814           HB3      PRO 814  -3.244 -21.233  -0.554
  503    HG2  PRO 814           HG2      PRO 814  -5.596 -20.182   1.045
  504    HG3  PRO 814           HG3      PRO 814  -3.858 -20.098   1.476
  505    HD2  PRO 814           HD2      PRO 814  -5.081 -18.002   0.316
  506    HD3  PRO 814           HD3      PRO 814  -3.444 -18.480  -0.230
  507    H    LYS 815           H        LYS 815  -5.758 -22.738  -2.703
  508    HA   LYS 815           HA       LYS 815  -8.613 -22.102  -2.830
  509    HB2  LYS 815           HB2      LYS 815  -8.778 -23.827  -4.374
  510    HB3  LYS 815           HB3      LYS 815  -7.242 -23.068  -4.719
  511    HG2  LYS 815           HG2      LYS 815  -7.640 -25.721  -3.246
  512    HG3  LYS 815           HG3      LYS 815  -7.193 -25.537  -4.935
  513    HD2  LYS 815           HD2      LYS 815  -5.055 -24.421  -4.223
  514    HD3  LYS 815           HD3      LYS 815  -5.493 -24.751  -2.531
  515    HE2  LYS 815           HE2      LYS 815  -5.618 -27.173  -3.040
  516    HE3  LYS 815           HE3      LYS 815  -5.168 -26.850  -4.717
  517    HZ1  LYS 815           HZ1      LYS 815  -3.029 -26.002  -3.913
  518    HZ2  LYS 815           HZ2      LYS 815  -3.262 -27.518  -3.363
  519    HZ3  LYS 815           HZ3      LYS 815  -3.473 -26.250  -2.356
  520    H    LYS 816           H        LYS 816  -6.715 -23.774  -0.575
  521    HA   LYS 816           HA       LYS 816  -8.811 -25.761   0.121
  522    HB2  LYS 816           HB2      LYS 816  -7.006 -27.024   1.139
  523    HB3  LYS 816           HB3      LYS 816  -6.649 -26.600  -0.518
  524    HG2  LYS 816           HG2      LYS 816  -4.599 -26.197   0.379
  525    HG3  LYS 816           HG3      LYS 816  -5.282 -24.589   0.530
  526    HD2  LYS 816           HD2      LYS 816  -4.154 -25.057   2.575
  527    HD3  LYS 816           HD3      LYS 816  -5.869 -25.175   2.940
  528    HE2  LYS 816           HE2      LYS 816  -5.662 -27.715   2.528
  529    HE3  LYS 816           HE3      LYS 816  -3.919 -27.474   2.457
  530    HZ1  LYS 816           HZ1      LYS 816  -5.688 -26.849   4.738
  531    HZ2  LYS 816           HZ2      LYS 816  -4.066 -26.548   4.734
  532    HZ3  LYS 816           HZ3      LYS 816  -4.608 -28.096   4.666
  533    H    HIS 817           H        HIS 817  -9.453 -26.203   2.271
  534    HA   HIS 817           HA       HIS 817  -9.502 -23.873   4.106
  535    HB2  HIS 817           HB2      HIS 817 -10.871 -26.584   4.086
  536    HB3  HIS 817           HB3      HIS 817 -10.957 -25.475   5.438
  537    HD1  HIS 817           HD1      HIS 817 -11.431 -24.416   1.702
  538    HD2  HIS 817           HD2      HIS 817 -13.415 -24.743   5.392
  539    HE1  HIS 817           HE1      HIS 817 -13.703 -23.325   1.385
  540    H    CYS 818           H        CYS 818  -9.063 -24.209   6.433
  541    HA   CYS 818           HA       CYS 818  -6.359 -24.934   6.824
  542    HB2  CYS 818           HB2      CYS 818  -7.586 -23.192   8.010
  543    HB3  CYS 818           HB3      CYS 818  -8.602 -24.396   8.811
  544    H    SER 819           H        SER 819  -5.338 -26.619   7.686
  545    HA   SER 819           HA       SER 819  -6.702 -29.212   8.023
  546    HB2  SER 819           HB2      SER 819  -4.238 -29.937   8.291
  547    HB3  SER 819           HB3      SER 819  -4.805 -29.404   6.708
  548    HG   SER 819           HG       SER 819  -2.740 -28.500   7.365
  549    H    THR 820           H        THR 820  -5.856 -26.620  10.068
  550    HA   THR 820           HA       THR 820  -5.451 -28.372  12.465
  551    HB   THR 820           HB       THR 820  -4.914 -25.414  12.023
  552    HG1  THR 820           HG1      THR 820  -3.208 -27.675  12.377
  553   HG21  THR 820          HG21      THR 820  -5.387 -25.733  14.389
  554   HG22  THR 820          HG22      THR 820  -3.642 -25.566  14.166
  555   HG23  THR 820          HG23      THR 820  -4.351 -27.175  14.453
  556    H    CYS 821           H        CYS 821  -7.545 -25.687  11.303
  557    HA   CYS 821           HA       CYS 821  -9.414 -26.354  13.540
  558    HB2  CYS 821           HB2      CYS 821  -9.921 -24.083  13.884
  559    HB3  CYS 821           HB3      CYS 821  -8.176 -24.290  14.015
  560    H    GLY 822           H        GLY 822  -9.210 -25.946  10.139
  561    HA2  GLY 822           HA2      GLY 822 -10.698 -27.076   8.744
  562    HA3  GLY 822           HA3      GLY 822 -11.954 -26.996   9.989
  563    H    LEU 823           H        LEU 823 -11.072 -23.879   9.818
  564    HA   LEU 823           HA       LEU 823 -13.229 -23.207   7.887
  565    HB2  LEU 823           HB2      LEU 823 -13.130 -20.960   8.922
  566    HB3  LEU 823           HB3      LEU 823 -13.489 -22.267  10.018
  567    HG   LEU 823           HG       LEU 823 -11.314 -22.177  11.032
  568   HD11  LEU 823          HD11      LEU 823 -10.636 -20.035   8.974
  569   HD12  LEU 823          HD12      LEU 823  -9.794 -21.573   9.218
  570   HD13  LEU 823          HD13      LEU 823  -9.690 -20.314  10.445
  571   HD21  LEU 823          HD21      LEU 823 -12.517 -19.396  10.736
  572   HD22  LEU 823          HD22      LEU 823 -11.455 -19.938  12.043
  573   HD23  LEU 823          HD23      LEU 823 -13.058 -20.662  11.856
  574    H    PHE 824           H        PHE 824 -12.650 -20.749   7.009
  575    HA   PHE 824           HA       PHE 824 -10.129 -20.901   5.430
  576    HB2  PHE 824           HB2      PHE 824 -12.066 -21.787   4.130
  577    HB3  PHE 824           HB3      PHE 824 -12.891 -20.254   4.323
  578    HD1  PHE 824           HD2      PHE 824 -10.027 -22.001   2.755
  579    HD2  PHE 824           HD1      PHE 824 -12.236 -18.314   2.959
  580    HE1  PHE 824           HE2      PHE 824  -8.883 -21.215   0.706
  581    HE2  PHE 824           HE1      PHE 824 -11.105 -17.525   0.897
  582    HZ   PHE 824           HZ       PHE 824  -9.412 -18.962  -0.230
  583    H    LYS 825           H        LYS 825  -9.133 -19.364   6.664
  584    HA   LYS 825           HA       LYS 825 -10.063 -16.552   6.431
  585    HB2  LYS 825           HB2      LYS 825  -9.286 -17.970   9.019
  586    HB3  LYS 825           HB3      LYS 825  -9.402 -16.219   8.868
  587    HG2  LYS 825           HG2      LYS 825 -11.753 -18.100   8.466
  588    HG3  LYS 825           HG3      LYS 825 -11.375 -17.219   9.943
  589    HD2  LYS 825           HD2      LYS 825 -11.615 -15.066   8.737
  590    HD3  LYS 825           HD3      LYS 825 -12.040 -15.943   7.257
  591    HE2  LYS 825           HE2      LYS 825 -13.981 -16.966   8.412
  592    HE3  LYS 825           HE3      LYS 825 -13.552 -16.094   9.902
  593    HZ1  LYS 825           HZ1      LYS 825 -13.922 -14.014   8.700
  594    HZ2  LYS 825           HZ2      LYS 825 -15.271 -14.933   8.671
  595    HZ3  LYS 825           HZ3      LYS 825 -14.328 -14.826   7.343
  596    H    TRP 826           H        TRP 826  -8.004 -18.023   4.987
  597    HA   TRP 826           HA       TRP 826  -5.398 -17.542   5.941
  598    HB2  TRP 826           HB2      TRP 826  -6.422 -17.651   3.079
  599    HB3  TRP 826           HB3      TRP 826  -4.730 -17.727   3.554
  600    HD1  TRP 826           HD1      TRP 826  -7.561 -19.902   2.821
  601    HE1  TRP 826           HE1      TRP 826  -7.012 -22.344   3.352
  602    HE3  TRP 826           HE3      TRP 826  -3.400 -19.168   5.705
  603    HZ2  TRP 826           HZ2      TRP 826  -5.160 -23.787   5.059
  604    HZ3  TRP 826           HZ3      TRP 826  -2.292 -21.089   6.815
  605    HH2  TRP 826           HH2      TRP 826  -3.152 -23.399   6.503
  606    H    GLU 827           H        GLU 827  -4.141 -15.839   6.134
  607    HA   GLU 827           HA       GLU 827  -4.753 -13.256   4.769
  608    HB2  GLU 827           HB2      GLU 827  -4.690 -13.343   7.269
  609    HB3  GLU 827           HB3      GLU 827  -3.000 -13.843   7.197
  610    HG2  GLU 827           HG2      GLU 827  -2.391 -11.734   6.073
  611    HG3  GLU 827           HG3      GLU 827  -4.095 -11.253   6.026
  612    H    ARG 828           H        ARG 828  -3.280 -12.560   3.246
  613    HA   ARG 828           HA       ARG 828  -0.993 -14.250   2.561
  614    HB2  ARG 828           HB2      ARG 828  -2.462 -13.026   0.913
  615    HB3  ARG 828           HB3      ARG 828  -1.680 -11.522   1.421
  616    HG2  ARG 828           HG2      ARG 828   0.474 -12.292   0.639
  617    HG3  ARG 828           HG3      ARG 828  -0.121 -13.948   0.448
  618    HD2  ARG 828           HD2      ARG 828   0.086 -12.859  -1.738
  619    HD3  ARG 828           HD3      ARG 828  -1.581 -13.280  -1.382
  620    HE   ARG 828           HE       ARG 828  -0.356 -10.546  -1.266
  621   HH11  ARG 828          HH21      ARG 828  -3.368 -12.430  -1.669
  622   HH12  ARG 828          HH22      ARG 828  -4.309 -10.979  -1.782
  623   HH21  ARG 828          HH11      ARG 828  -1.659  -8.779  -1.543
  624   HH22  ARG 828          HH12      ARG 828  -3.373  -8.969  -1.790
  625    H    VAL 829           H        VAL 829   0.983 -14.066   3.332
  626    HA   VAL 829           HA       VAL 829   1.757 -11.701   5.024
  627    HB   VAL 829           HB       VAL 829   2.944 -13.228   6.553
  628   HG11  VAL 829          HG11      VAL 829   1.017 -13.986   7.804
  629   HG12  VAL 829          HG12      VAL 829   0.671 -12.411   7.073
  630   HG13  VAL 829          HG13      VAL 829  -0.023 -13.880   6.363
  631   HG21  VAL 829          HG21      VAL 829   2.503 -15.627   6.606
  632   HG22  VAL 829          HG22      VAL 829   1.493 -15.514   5.162
  633   HG23  VAL 829          HG23      VAL 829   3.241 -15.209   5.048
  634    H    GLY 830           H        GLY 830   4.127 -11.604   5.487
  635    HA2  GLY 830           HA2      GLY 830   5.557 -11.816   2.927
  636    HA3  GLY 830           HA3      GLY 830   6.065 -10.901   4.359
  637    H    MET 831           H        MET 831   7.155 -13.067   2.453
  638    HA   MET 831           HA       MET 831   9.242 -13.625   4.242
  639    HB2  MET 831           HB2      MET 831   8.006 -15.548   4.974
  640    HB3  MET 831           HB3      MET 831   7.774 -16.112   3.339
  641    HG2  MET 831           HG2      MET 831   9.470 -17.396   4.511
  642    HG3  MET 831           HG3      MET 831  10.146 -16.600   3.113
  643    HE1  MET 831           HE1      MET 831  13.241 -16.634   5.400
  644    HE2  MET 831           HE2      MET 831  12.038 -17.906   5.096
  645    HE3  MET 831           HE3      MET 831  12.614 -16.883   3.753
  646    H    LEU 832           H        LEU 832  11.129 -14.585   3.140
  647    HA   LEU 832           HA       LEU 832  11.305 -13.072   0.569
  648    HB2  LEU 832           HB2      LEU 832  12.686 -13.016   3.233
  649    HB3  LEU 832           HB3      LEU 832  13.710 -12.775   1.837
  650    HG   LEU 832           HG       LEU 832  13.092 -10.660   2.805
  651   HD11  LEU 832          HD11      LEU 832  11.704 -10.992   0.109
  652   HD12  LEU 832          HD12      LEU 832  13.458 -10.776   0.361
  653   HD13  LEU 832          HD13      LEU 832  12.337  -9.487   0.813
  654   HD21  LEU 832          HD21      LEU 832  10.178 -11.244   2.143
  655   HD22  LEU 832          HD22      LEU 832  10.842  -9.779   2.887
  656   HD23  LEU 832          HD23      LEU 832  10.884 -11.310   3.762
  657    H    LYS 833           H        LYS 833  13.192 -13.364  -0.697
  658    HA   LYS 833           HA       LYS 833  14.171 -16.093  -1.020
  659    HB2  LYS 833           HB2      LYS 833  15.586 -15.082  -2.774
  660    HB3  LYS 833           HB3      LYS 833  13.877 -14.728  -2.976
  661    HG2  LYS 833           HG2      LYS 833  14.213 -12.442  -2.074
  662    HG3  LYS 833           HG3      LYS 833  15.905 -12.798  -1.746
  663    HD2  LYS 833           HD2      LYS 833  15.693 -11.478  -3.759
  664    HD3  LYS 833           HD3      LYS 833  16.355 -13.082  -4.136
  665    HE2  LYS 833           HE2      LYS 833  14.128 -13.826  -4.923
  666    HE3  LYS 833           HE3      LYS 833  13.426 -12.267  -4.479
  667    HZ1  LYS 833           HZ1      LYS 833  15.519 -12.688  -6.539
  668    HZ2  LYS 833           HZ2      LYS 833  14.894 -11.228  -6.138
  669    HZ3  LYS 833           HZ3      LYS 833  13.941 -12.346  -6.839
  670    H    GLU 834           H        GLU 834  16.290 -16.750  -0.757
  671    HA   GLU 834           HA       GLU 834  18.219 -15.201   0.868
  672    HB2  GLU 834           HB2      GLU 834  17.199 -17.974   1.634
  673    HB3  GLU 834           HB3      GLU 834  18.637 -17.193   2.309
  674    HG2  GLU 834           HG2      GLU 834  17.156 -15.307   3.108
  675    HG3  GLU 834           HG3      GLU 834  15.748 -16.264   2.598
  676    H    LYS 835           H        LYS 835  20.401 -16.122   0.785
  677    HA   LYS 835           HA       LYS 835  21.189 -17.077  -1.763
  678    HB2  LYS 835           HB2      LYS 835  22.600 -16.998   0.927
  679    HB3  LYS 835           HB3      LYS 835  23.411 -17.356  -0.614
  680    HG2  LYS 835           HG2      LYS 835  22.861 -15.144  -1.490
  681    HG3  LYS 835           HG3      LYS 835  21.909 -14.751  -0.043
  682    HD2  LYS 835           HD2      LYS 835  23.899 -14.909   1.370
  683    HD3  LYS 835           HD3      LYS 835  24.871 -15.423  -0.030
  684    HE2  LYS 835           HE2      LYS 835  24.356 -13.235  -1.139
  685    HE3  LYS 835           HE3      LYS 835  23.427 -12.745   0.284
  686    HZ1  LYS 835           HZ1      LYS 835  26.325 -13.371   0.280
  687    HZ2  LYS 835           HZ2      LYS 835  25.465 -12.888   1.592
  688    HZ3  LYS 835           HZ3      LYS 835  25.680 -11.865   0.342
  689    H    THR 836           H        THR 836  21.902 -19.034  -2.522
  690    HA   THR 836           HA       THR 836  21.349 -21.510  -0.926
  691    HB   THR 836           HB       THR 836  20.740 -22.544  -3.158
  692    HG1  THR 836           HG1      THR 836  20.202 -21.092  -4.823
  693   HG21  THR 836          HG21      THR 836  18.478 -21.662  -3.221
  694   HG22  THR 836          HG22      THR 836  18.976 -20.204  -2.331
  695   HG23  THR 836          HG23      THR 836  19.016 -21.798  -1.540
  696    H    GLY 837           H        GLY 837  22.452 -23.420  -1.710
  697    HA2  GLY 837           HA2      GLY 837  25.321 -22.931  -2.354
  698    HA3  GLY 837           HA3      GLY 837  24.568 -24.442  -1.794
  699    HA   PRO 838           HA       PRO 838  25.669 -24.756  -6.342
  700    HB2  PRO 838           HB2      PRO 838  26.377 -27.492  -5.288
  701    HB3  PRO 838           HB3      PRO 838  27.205 -26.512  -6.548
  702    HG2  PRO 838           HG2      PRO 838  28.215 -26.637  -4.050
  703    HG3  PRO 838           HG3      PRO 838  28.133 -25.050  -4.893
  704    HD2  PRO 838           HD2      PRO 838  26.233 -26.183  -2.826
  705    HD3  PRO 838           HD3      PRO 838  26.948 -24.545  -2.920
  706    H    LYS 839           H        LYS 839  24.505 -25.781  -7.968
  707    HA   LYS 839           HA       LYS 839  21.890 -26.867  -7.173
  708    HB2  LYS 839           HB2      LYS 839  23.042 -25.989  -9.842
  709    HB3  LYS 839           HB3      LYS 839  21.390 -26.571  -9.600
  710    HG2  LYS 839           HG2      LYS 839  20.977 -24.726  -7.975
  711    HG3  LYS 839           HG3      LYS 839  22.609 -24.114  -8.271
  712    HD2  LYS 839           HD2      LYS 839  22.055 -23.852 -10.700
  713    HD3  LYS 839           HD3      LYS 839  20.407 -24.384 -10.379
  714    HE2  LYS 839           HE2      LYS 839  21.725 -21.954  -9.079
  715    HE3  LYS 839           HE3      LYS 839  20.720 -21.872 -10.528
  716    HZ1  LYS 839           HZ1      LYS 839  19.423 -21.383  -8.563
  717    HZ2  LYS 839           HZ2      LYS 839  19.793 -22.820  -7.879
  718    HZ3  LYS 839           HZ3      LYS 839  18.881 -22.764  -9.234
  719    H    LEU 840           H        LEU 840  22.493 -28.914  -6.370
  720    HA   LEU 840           HA       LEU 840  23.677 -30.982  -8.059
  721    HB2  LEU 840           HB2      LEU 840  22.343 -30.901  -5.324
  722    HB3  LEU 840           HB3      LEU 840  22.627 -32.434  -6.128
  723    HG   LEU 840           HG       LEU 840  25.043 -32.000  -6.281
  724   HD11  LEU 840          HD11      LEU 840  24.425 -29.515  -4.622
  725   HD12  LEU 840          HD12      LEU 840  25.171 -29.547  -6.247
  726   HD13  LEU 840          HD13      LEU 840  26.045 -30.198  -4.864
  727   HD21  LEU 840          HD21      LEU 840  24.105 -33.284  -4.417
  728   HD22  LEU 840          HD22      LEU 840  23.844 -31.800  -3.475
  729   HD23  LEU 840          HD23      LEU 840  25.493 -32.341  -3.862
  730    H    GLY 841           H        GLY 841  20.389 -29.875  -7.474
  731    HA2  GLY 841           HA2      GLY 841  19.107 -32.155  -8.851
  732    HA3  GLY 841           HA3      GLY 841  18.324 -30.729  -8.165
  733    H    GLY 842           H        GLY 842  17.231 -31.335 -10.357
  734    HA2  GLY 842           HA2      GLY 842  17.690 -29.200 -12.225
  735    HA3  GLY 842           HA3      GLY 842  18.281 -30.722 -12.897
  Start of MODEL   17
    1    H1   GLY  -4           H1       GLY  -4  22.450  -7.958   8.041
    2    H2   GLY  -4           H2       GLY  -4  21.536  -8.441   6.767
    3    H3   GLY  -4           H3       GLY  -4  21.146  -7.071   7.583
    4    HA2  GLY  -4           HA2      GLY  -4  23.172  -5.987   6.870
    5    HA3  GLY  -4           HA3      GLY  -4  23.593  -7.469   5.997
    6    HA   PRO  -3           HA       PRO  -3  20.800  -4.535   3.428
    7    HB2  PRO  -3           HB2      PRO  -3  22.623  -3.180   1.900
    8    HB3  PRO  -3           HB3      PRO  -3  22.043  -2.612   3.494
    9    HG2  PRO  -3           HG2      PRO  -3  24.592  -4.138   2.854
   10    HG3  PRO  -3           HG3      PRO  -3  24.403  -2.673   3.885
   11    HD2  PRO  -3           HD2      PRO  -3  24.551  -5.192   4.917
   12    HD3  PRO  -3           HD3      PRO  -3  23.491  -3.948   5.653
   13    H    MET  -2           H        MET  -2  19.957  -5.704   1.890
   14    HA   MET  -2           HA       MET  -2  21.222  -6.880  -0.397
   15    HB2  MET  -2           HB2      MET  -2  22.121  -8.446   1.291
   16    HB3  MET  -2           HB3      MET  -2  20.505  -8.712   1.930
   17    HG2  MET  -2           HG2      MET  -2  21.325 -10.569   0.547
   18    HG3  MET  -2           HG3      MET  -2  19.839  -9.874  -0.073
   19    HE1  MET  -2           HE1      MET  -2  21.464 -11.889  -1.714
   20    HE2  MET  -2           HE2      MET  -2  20.031 -11.047  -2.352
   21    HE3  MET  -2           HE3      MET  -2  21.529 -11.122  -3.311
   22    H    GLY  -1           H        GLY  -1  19.599  -8.114  -1.681
   23    HA2  GLY  -1           HA2      GLY  -1  17.444  -8.731  -2.318
   24    HA3  GLY  -1           HA3      GLY  -1  16.751  -7.935  -0.884
   25    H    MET 755           H        MET 755  18.941  -6.124  -2.928
   26    HA   MET 755           HA       MET 755  17.137  -4.037  -3.569
   27    HB2  MET 755           HB2      MET 755  19.646  -4.875  -5.094
   28    HB3  MET 755           HB3      MET 755  18.821  -3.317  -5.163
   29    HG2  MET 755           HG2      MET 755  20.598  -2.896  -3.740
   30    HG3  MET 755           HG3      MET 755  19.263  -3.148  -2.620
   31    HE1  MET 755           HE1      MET 755  22.198  -3.027  -1.696
   32    HE2  MET 755           HE2      MET 755  20.849  -3.390  -0.597
   33    HE3  MET 755           HE3      MET 755  22.302  -4.404  -0.569
   34    H    GLN 756           H        GLN 756  15.594  -3.814  -5.041
   35    HA   GLN 756           HA       GLN 756  14.081  -4.178  -6.661
   36    HB2  GLN 756           HB2      GLN 756  16.323  -5.640  -8.126
   37    HB3  GLN 756           HB3      GLN 756  14.750  -5.271  -8.799
   38    HG2  GLN 756           HG2      GLN 756  16.194  -3.623  -9.626
   39    HG3  GLN 756           HG3      GLN 756  15.133  -2.844  -8.452
   40   HE21  GLN 756          HE21      GLN 756  16.222  -1.422  -7.079
   41   HE22  GLN 756          HE22      GLN 756  17.939  -1.536  -6.717
   42    H    SER 757           H        SER 757  14.816  -6.512  -4.549
   43    HA   SER 757           HA       SER 757  13.147  -8.659  -5.768
   44    HB2  SER 757           HB2      SER 757  14.651  -8.608  -3.143
   45    HB3  SER 757           HB3      SER 757  13.757  -9.975  -3.797
   46    HG   SER 757           HG       SER 757  15.941  -8.711  -5.143
   47    H    ILE 758           H        ILE 758  11.444  -9.646  -4.453
   48    HA   ILE 758           HA       ILE 758   9.855  -7.694  -2.823
   49    HB   ILE 758           HB       ILE 758   8.724  -9.548  -4.974
   50   HG12  ILE 758          HG12      ILE 758   8.098  -7.094  -5.934
   51   HG13  ILE 758          HG13      ILE 758   9.608  -6.669  -5.156
   52   HG21  ILE 758          HG21      ILE 758   7.100  -9.092  -3.213
   53   HG22  ILE 758          HG22      ILE 758   7.423  -7.343  -3.311
   54   HG23  ILE 758          HG23      ILE 758   6.643  -8.203  -4.649
   55   HD11  ILE 758          HD11      ILE 758   9.174  -8.817  -7.294
   56   HD12  ILE 758          HD12      ILE 758   9.908  -7.212  -7.533
   57   HD13  ILE 758          HD13      ILE 758  10.745  -8.443  -6.571
   58    H    ARG 759           H        ARG 759   8.430  -8.640  -1.288
   59    HA   ARG 759           HA       ARG 759   9.396 -10.973   0.046
   60    HB2  ARG 759           HB2      ARG 759   7.729 -10.520   1.678
   61    HB3  ARG 759           HB3      ARG 759   8.322  -8.960   1.114
   62    HG2  ARG 759           HG2      ARG 759   6.327  -8.831  -0.471
   63    HG3  ARG 759           HG3      ARG 759   5.727 -10.329   0.269
   64    HD2  ARG 759           HD2      ARG 759   5.868  -9.004   2.522
   65    HD3  ARG 759           HD3      ARG 759   5.944  -7.567   1.491
   66    HE   ARG 759           HE       ARG 759   3.834  -8.983   0.440
   67   HH11  ARG 759          HH11      ARG 759   4.458  -7.844   3.734
   68   HH12  ARG 759          HH12      ARG 759   2.768  -7.875   4.160
   69   HH21  ARG 759          HH21      ARG 759   1.696  -8.977   1.035
   70   HH22  ARG 759          HH22      ARG 759   1.224  -8.470   2.634
   71    H    GLU 760           H        GLU 760   7.929 -11.215  -2.760
   72    HA   GLU 760           HA       GLU 760   7.144 -13.958  -2.232
   73    HB2  GLU 760           HB2      GLU 760   5.186 -13.825  -3.785
   74    HB3  GLU 760           HB3      GLU 760   4.938 -13.190  -2.189
   75    HG2  GLU 760           HG2      GLU 760   5.716 -10.955  -3.842
   76    HG3  GLU 760           HG3      GLU 760   4.574 -11.907  -4.762
   77    H    GLN 761           H        GLN 761   7.775 -15.281  -3.923
   78    HA   GLN 761           HA       GLN 761   9.833 -13.872  -5.579
   79    HB2  GLN 761           HB2      GLN 761  11.494 -15.334  -4.550
   80    HB3  GLN 761           HB3      GLN 761  10.671 -14.323  -3.363
   81    HG2  GLN 761           HG2      GLN 761   9.214 -16.288  -2.757
   82    HG3  GLN 761           HG3      GLN 761  10.147 -17.277  -3.883
   83   HE21  GLN 761          HE21      GLN 761  10.434 -15.302  -0.845
   84   HE22  GLN 761          HE22      GLN 761  11.837 -16.194  -0.284
   85    H    SER 762           H        SER 762  10.639 -14.818  -7.383
   86    HA   SER 762           HA       SER 762   9.007 -16.642  -8.777
   87    HB2  SER 762           HB2      SER 762  11.887 -15.912  -9.362
   88    HB3  SER 762           HB3      SER 762  10.716 -16.588 -10.511
   89    HG   SER 762           HG       SER 762  10.906 -14.277 -10.685
   90    H    CYS 763           H        CYS 763   9.166 -18.767  -9.363
   91    HA   CYS 763           HA       CYS 763  11.244 -20.548  -8.223
   92    HB2  CYS 763           HB2      CYS 763   9.465 -19.952  -6.462
   93    HB3  CYS 763           HB3      CYS 763   8.288 -20.802  -7.478
   94    HG   CYS 763           HG       CYS 763  11.107 -21.955  -6.118
   95    H    ARG 764           H        ARG 764  10.975 -22.796  -8.915
   96    HA   ARG 764           HA       ARG 764   9.757 -23.073 -11.594
   97    HB2  ARG 764           HB2      ARG 764  12.052 -23.771 -11.339
   98    HB3  ARG 764           HB3      ARG 764  11.632 -24.911 -10.066
   99    HG2  ARG 764           HG2      ARG 764  10.725 -26.436 -11.535
  100    HG3  ARG 764           HG3      ARG 764  10.141 -25.219 -12.664
  101    HD2  ARG 764           HD2      ARG 764  13.057 -25.956 -12.378
  102    HD3  ARG 764           HD3      ARG 764  11.946 -26.669 -13.570
  103    HE   ARG 764           HE       ARG 764  11.712 -23.919 -13.918
  104   HH11  ARG 764          HH11      ARG 764  14.318 -26.286 -14.276
  105   HH12  ARG 764          HH12      ARG 764  15.097 -25.372 -15.535
  106   HH21  ARG 764          HH21      ARG 764  12.779 -22.769 -15.472
  107   HH22  ARG 764          HH22      ARG 764  14.260 -23.377 -16.173
  108    H    VAL 765           H        VAL 765   8.137 -24.413 -12.054
  109    HA   VAL 765           HA       VAL 765   6.579 -25.758  -9.892
  110    HB   VAL 765           HB       VAL 765   4.505 -24.610 -10.793
  111   HG11  VAL 765          HG11      VAL 765   6.535 -22.751  -9.491
  112   HG12  VAL 765          HG12      VAL 765   4.791 -22.540  -9.546
  113   HG13  VAL 765          HG13      VAL 765   5.480 -23.910  -8.647
  114   HG21  VAL 765          HG21      VAL 765   4.667 -22.560 -12.027
  115   HG22  VAL 765          HG22      VAL 765   6.431 -22.595 -11.979
  116   HG23  VAL 765          HG23      VAL 765   5.549 -23.796 -12.944
  117    H    VAL 766           H        VAL 766   4.683 -26.920 -10.805
  118    HA   VAL 766           HA       VAL 766   5.110 -28.000 -13.549
  119    HB   VAL 766           HB       VAL 766   6.400 -29.417 -12.098
  120   HG11  VAL 766          HG11      VAL 766   5.343 -29.053  -9.905
  121   HG12  VAL 766          HG12      VAL 766   3.912 -29.980 -10.428
  122   HG13  VAL 766          HG13      VAL 766   5.494 -30.752 -10.298
  123   HG21  VAL 766          HG21      VAL 766   5.457 -31.612 -12.570
  124   HG22  VAL 766          HG22      VAL 766   3.841 -30.915 -12.821
  125   HG23  VAL 766          HG23      VAL 766   5.167 -30.524 -13.943
  126    H    THR 767           H        THR 767   3.323 -28.491 -14.613
  127    HA   THR 767           HA       THR 767   0.678 -28.404 -13.203
  128    HB   THR 767           HB       THR 767   1.468 -27.558 -16.011
  129    HG1  THR 767           HG1      THR 767   1.787 -25.911 -14.642
  130   HG21  THR 767          HG21      THR 767  -1.320 -27.645 -14.763
  131   HG22  THR 767          HG22      THR 767  -0.776 -28.633 -16.128
  132   HG23  THR 767          HG23      THR 767  -0.890 -26.883 -16.309
  133    H    CYS 768           H        CYS 768  -0.283 -30.299 -13.035
  134    HA   CYS 768           HA       CYS 768   0.343 -32.589 -14.802
  135    HB2  CYS 768           HB2      CYS 768  -0.092 -32.915 -12.360
  136    HB3  CYS 768           HB3      CYS 768  -1.729 -32.293 -12.598
  137    H    LYS 769           H        LYS 769  -0.548 -32.876 -16.668
  138    HA   LYS 769           HA       LYS 769  -2.703 -31.133 -17.629
  139    HB2  LYS 769           HB2      LYS 769  -1.195 -33.415 -19.006
  140    HB3  LYS 769           HB3      LYS 769  -2.189 -32.200 -19.802
  141    HG2  LYS 769           HG2      LYS 769   0.462 -31.728 -18.356
  142    HG3  LYS 769           HG3      LYS 769   0.224 -31.778 -20.091
  143    HD2  LYS 769           HD2      LYS 769  -0.976 -29.686 -18.228
  144    HD3  LYS 769           HD3      LYS 769   0.457 -29.479 -19.243
  145    HE2  LYS 769           HE2      LYS 769  -0.897 -29.905 -21.285
  146    HE3  LYS 769           HE3      LYS 769  -2.338 -30.085 -20.275
  147    HZ1  LYS 769           HZ1      LYS 769  -0.731 -27.604 -20.498
  148    HZ2  LYS 769           HZ2      LYS 769  -2.062 -27.785 -19.569
  149    HZ3  LYS 769           HZ3      LYS 769  -2.189 -27.854 -21.192
  150    H    THR 770           H        THR 770  -2.692 -34.072 -15.995
  151    HA   THR 770           HA       THR 770  -5.200 -35.105 -17.229
  152    HB   THR 770           HB       THR 770  -3.519 -36.182 -14.936
  153    HG1  THR 770           HG1      THR 770  -2.550 -36.204 -17.035
  154   HG21  THR 770          HG21      THR 770  -5.830 -37.427 -16.486
  155   HG22  THR 770          HG22      THR 770  -5.840 -36.993 -14.764
  156   HG23  THR 770          HG23      THR 770  -4.782 -38.288 -15.343
  157    H    CYS 771           H        CYS 771  -4.055 -33.829 -14.067
  158    HA   CYS 771           HA       CYS 771  -6.819 -33.795 -13.042
  159    HB2  CYS 771           HB2      CYS 771  -4.160 -33.174 -11.729
  160    HB3  CYS 771           HB3      CYS 771  -5.697 -33.327 -10.891
  161    H    LYS 772           H        LYS 772  -4.549 -31.469 -14.304
  162    HA   LYS 772           HA       LYS 772  -4.707 -29.303 -14.824
  163    HB2  LYS 772           HB2      LYS 772  -7.622 -29.324 -13.957
  164    HB3  LYS 772           HB3      LYS 772  -6.828 -28.187 -15.024
  165    HG2  LYS 772           HG2      LYS 772  -7.408 -31.116 -15.603
  166    HG3  LYS 772           HG3      LYS 772  -8.160 -29.693 -16.319
  167    HD2  LYS 772           HD2      LYS 772  -5.861 -29.065 -17.252
  168    HD3  LYS 772           HD3      LYS 772  -5.277 -30.622 -16.646
  169    HE2  LYS 772           HE2      LYS 772  -5.766 -30.907 -18.972
  170    HE3  LYS 772           HE3      LYS 772  -6.970 -31.797 -18.033
  171    HZ1  LYS 772           HZ1      LYS 772  -7.951 -30.534 -19.866
  172    HZ2  LYS 772           HZ2      LYS 772  -7.393 -29.118 -19.256
  173    HZ3  LYS 772           HZ3      LYS 772  -8.527 -29.967 -18.440
  174    H    TYR 773           H        TYR 773  -3.589 -29.893 -12.378
  175    HA   TYR 773           HA       TYR 773  -4.115 -27.368 -10.811
  176    HB2  TYR 773           HB2      TYR 773  -3.107 -28.355  -8.915
  177    HB3  TYR 773           HB3      TYR 773  -4.387 -29.421  -9.467
  178    HD1  TYR 773           HD1      TYR 773  -0.649 -28.934  -9.404
  179    HD2  TYR 773           HD2      TYR 773  -3.895 -31.697  -9.993
  180    HE1  TYR 773           HE1      TYR 773   0.964 -30.805  -9.356
  181    HE2  TYR 773           HE2      TYR 773  -2.301 -33.590  -9.761
  182    HH   TYR 773           HH       TYR 773  -0.089 -34.244  -9.526
  183    H    THR 774           H        THR 774  -2.228 -26.245 -10.012
  184    HA   THR 774           HA       THR 774   0.387 -26.863 -11.335
  185    HB   THR 774           HB       THR 774  -0.613 -24.072 -10.696
  186    HG1  THR 774           HG1      THR 774  -0.205 -25.320 -13.217
  187   HG21  THR 774          HG21      THR 774   1.903 -25.068 -12.104
  188   HG22  THR 774          HG22      THR 774   1.834 -24.263 -10.531
  189   HG23  THR 774          HG23      THR 774   1.399 -23.368 -11.990
  190    H    HIS 775           H        HIS 775   1.833 -27.403  -9.860
  191    HA   HIS 775           HA       HIS 775   1.793 -26.213  -7.119
  192    HB2  HIS 775           HB2      HIS 775   2.166 -29.151  -7.836
  193    HB3  HIS 775           HB3      HIS 775   2.551 -28.460  -6.267
  194    HD1  HIS 775           HD1      HIS 775   0.395 -30.782  -6.642
  195    HD2  HIS 775           HD2      HIS 775  -0.335 -26.674  -6.181
  196    HE1  HIS 775           HE1      HIS 775  -1.963 -30.579  -5.713
  197    H    PHE 776           H        PHE 776   4.007 -26.649  -6.024
  198    HA   PHE 776           HA       PHE 776   6.183 -25.819  -7.706
  199    HB2  PHE 776           HB2      PHE 776   6.715 -27.134  -5.078
  200    HB3  PHE 776           HB3      PHE 776   7.437 -25.707  -5.767
  201    HD1  PHE 776           HD2      PHE 776   6.100 -23.472  -5.670
  202    HD2  PHE 776           HD1      PHE 776   4.881 -27.062  -3.592
  203    HE1  PHE 776           HE2      PHE 776   4.527 -22.157  -4.276
  204    HE2  PHE 776           HE1      PHE 776   3.351 -25.718  -2.177
  205    HZ   PHE 776           HZ       PHE 776   3.151 -23.279  -2.526
  206    H    LYS 777           H        LYS 777   5.162 -28.962  -6.421
  207    HA   LYS 777           HA       LYS 777   6.991 -30.440  -8.250
  208    HB2  LYS 777           HB2      LYS 777   6.600 -30.905  -5.259
  209    HB3  LYS 777           HB3      LYS 777   7.475 -32.002  -6.337
  210    HG2  LYS 777           HG2      LYS 777   9.105 -30.179  -6.849
  211    HG3  LYS 777           HG3      LYS 777   8.269 -29.125  -5.689
  212    HD2  LYS 777           HD2      LYS 777   8.670 -30.792  -3.888
  213    HD3  LYS 777           HD3      LYS 777   9.604 -31.768  -5.050
  214    HE2  LYS 777           HE2      LYS 777  11.146 -29.825  -5.401
  215    HE3  LYS 777           HE3      LYS 777  10.200 -28.884  -4.229
  216    HZ1  LYS 777           HZ1      LYS 777  11.672 -31.383  -3.604
  217    HZ2  LYS 777           HZ2      LYS 777  10.807 -30.509  -2.529
  218    HZ3  LYS 777           HZ3      LYS 777  12.162 -29.876  -3.205
  219    HA   PRO 778           HA       PRO 778   3.266 -32.776  -8.878
  220    HB2  PRO 778           HB2      PRO 778   4.100 -35.155  -9.866
  221    HB3  PRO 778           HB3      PRO 778   4.372 -33.620 -10.743
  222    HG2  PRO 778           HG2      PRO 778   6.313 -35.135  -8.977
  223    HG3  PRO 778           HG3      PRO 778   6.609 -34.430 -10.592
  224    HD2  PRO 778           HD2      PRO 778   7.280 -33.162  -8.238
  225    HD3  PRO 778           HD3      PRO 778   6.820 -32.278  -9.709
  226    H    LYS 779           H        LYS 779   1.871 -34.306  -7.966
  227    HA   LYS 779           HA       LYS 779   2.377 -35.137  -5.246
  228    HB2  LYS 779           HB2      LYS 779   0.250 -35.823  -7.301
  229    HB3  LYS 779           HB3      LYS 779   0.214 -36.443  -5.644
  230    HG2  LYS 779           HG2      LYS 779  -0.168 -34.340  -4.693
  231    HG3  LYS 779           HG3      LYS 779   0.430 -33.467  -6.107
  232    HD2  LYS 779           HD2      LYS 779  -1.977 -33.230  -5.878
  233    HD3  LYS 779           HD3      LYS 779  -1.544 -34.003  -7.391
  234    HE2  LYS 779           HE2      LYS 779  -2.533 -35.541  -4.944
  235    HE3  LYS 779           HE3      LYS 779  -3.595 -34.871  -6.182
  236    HZ1  LYS 779           HZ1      LYS 779  -2.153 -36.240  -7.820
  237    HZ2  LYS 779           HZ2      LYS 779  -3.252 -37.029  -6.888
  238    HZ3  LYS 779           HZ3      LYS 779  -1.679 -37.071  -6.503
  239    H    GLU 780           H        GLU 780   2.735 -37.172  -4.355
  240    HA   GLU 780           HA       GLU 780   4.394 -39.019  -5.766
  241    HB2  GLU 780           HB2      GLU 780   2.759 -39.375  -3.226
  242    HB3  GLU 780           HB3      GLU 780   3.937 -40.543  -3.825
  243    HG2  GLU 780           HG2      GLU 780   5.715 -38.824  -3.704
  244    HG3  GLU 780           HG3      GLU 780   4.558 -37.672  -3.021
  245    H    THR 781           H        THR 781   0.852 -39.024  -5.262
  246    HA   THR 781           HA       THR 781   0.382 -41.564  -6.553
  247    HB   THR 781           HB       THR 781  -2.003 -40.557  -6.732
  248    HG1  THR 781           HG1      THR 781  -2.128 -38.865  -5.007
  249   HG21  THR 781          HG21      THR 781  -1.285 -42.182  -5.015
  250   HG22  THR 781          HG22      THR 781  -2.394 -40.979  -4.335
  251   HG23  THR 781          HG23      THR 781  -0.652 -40.852  -4.009
  252    H    CYS 782           H        CYS 782   0.508 -38.211  -7.810
  253    HA   CYS 782           HA       CYS 782  -0.282 -38.916 -10.483
  254    HB2  CYS 782           HB2      CYS 782   1.284 -36.566  -9.322
  255    HB3  CYS 782           HB3      CYS 782   0.861 -36.725 -11.018
  256    H    VAL 783           H        VAL 783   2.883 -38.776  -8.854
  257    HA   VAL 783           HA       VAL 783   4.450 -39.557 -11.158
  258    HB   VAL 783           HB       VAL 783   5.031 -39.772  -8.183
  259   HG11  VAL 783          HG11      VAL 783   6.897 -40.340 -10.533
  260   HG12  VAL 783          HG12      VAL 783   7.414 -40.121  -8.848
  261   HG13  VAL 783          HG13      VAL 783   6.388 -41.494  -9.272
  262   HG21  VAL 783          HG21      VAL 783   6.498 -37.869  -8.590
  263   HG22  VAL 783          HG22      VAL 783   6.138 -37.905 -10.328
  264   HG23  VAL 783          HG23      VAL 783   4.875 -37.459  -9.171
  265    H    SER 784           H        SER 784   3.071 -41.592  -8.447
  266    HA   SER 784           HA       SER 784   4.005 -44.045  -9.521
  267    HB2  SER 784           HB2      SER 784   1.859 -43.276  -7.511
  268    HB3  SER 784           HB3      SER 784   2.278 -44.940  -7.889
  269    HG   SER 784           HG       SER 784   3.469 -44.121  -6.085
  270    H    GLU 785           H        GLU 785   0.819 -42.408  -9.979
  271    HA   GLU 785           HA       GLU 785  -0.198 -44.585 -11.682
  272    HB2  GLU 785           HB2      GLU 785  -1.182 -41.737 -11.191
  273    HB3  GLU 785           HB3      GLU 785  -1.988 -42.926 -12.215
  274    HG2  GLU 785           HG2      GLU 785  -2.319 -44.430 -10.306
  275    HG3  GLU 785           HG3      GLU 785  -1.487 -43.300  -9.238
  276    H    ASN 786           H        ASN 786   2.039 -42.079 -12.138
  277    HA   ASN 786           HA       ASN 786   3.268 -41.432 -13.868
  278    HB2  ASN 786           HB2      ASN 786   2.964 -44.058 -14.238
  279    HB3  ASN 786           HB3      ASN 786   2.137 -43.551 -15.710
  280   HD21  ASN 786          HD21      ASN 786   5.146 -43.226 -13.807
  281   HD22  ASN 786          HD22      ASN 786   6.201 -42.920 -15.180
  282    H    HIS 787           H        HIS 787   1.000 -39.955 -13.477
  283    HA   HIS 787           HA       HIS 787  -0.494 -39.273 -15.845
  284    HB2  HIS 787           HB2      HIS 787   0.265 -37.611 -13.403
  285    HB3  HIS 787           HB3      HIS 787  -0.846 -37.092 -14.658
  286    HD2  HIS 787           HD2      HIS 787  -1.606 -40.683 -14.005
  287    HE1  HIS 787           HE1      HIS 787  -4.105 -38.634 -11.252
  288    HE2  HIS 787           HE2      HIS 787  -3.584 -40.884 -12.316
  289    H    ASP 788           H        ASP 788  -0.238 -37.462 -17.246
  290    HA   ASP 788           HA       ASP 788   2.569 -36.789 -17.919
  291    HB2  ASP 788           HB2      ASP 788  -0.088 -36.145 -19.249
  292    HB3  ASP 788           HB3      ASP 788   1.475 -35.559 -19.820
  293    H    PHE 789           H        PHE 789   3.554 -35.012 -17.186
  294    HA   PHE 789           HA       PHE 789   1.963 -32.585 -16.604
  295    HB2  PHE 789           HB2      PHE 789   4.041 -32.346 -14.824
  296    HB3  PHE 789           HB3      PHE 789   2.404 -32.720 -14.417
  297    HD1  PHE 789           HD2      PHE 789   5.813 -34.051 -14.735
  298    HD2  PHE 789           HD1      PHE 789   1.720 -34.937 -13.706
  299    HE1  PHE 789           HE2      PHE 789   6.550 -36.107 -13.548
  300    HE2  PHE 789           HE1      PHE 789   2.456 -36.963 -12.493
  301    HZ   PHE 789           HZ       PHE 789   4.869 -37.561 -12.409
  302    H    HIS 790           H        HIS 790   2.979 -30.628 -16.889
  303    HA   HIS 790           HA       HIS 790   5.575 -30.620 -18.420
  304    HB2  HIS 790           HB2      HIS 790   3.244 -28.662 -18.522
  305    HB3  HIS 790           HB3      HIS 790   4.785 -28.456 -19.348
  306    HD1  HIS 790           HD1      HIS 790   2.333 -28.389 -21.161
  307    HD2  HIS 790           HD2      HIS 790   4.412 -31.907 -20.158
  308    HE1  HIS 790           HE1      HIS 790   1.803 -30.077 -22.986
  309    H    TRP 791           H        TRP 791   7.230 -29.535 -17.500
  310    HA   TRP 791           HA       TRP 791   6.844 -28.023 -14.990
  311    HB2  TRP 791           HB2      TRP 791   9.287 -29.089 -16.448
  312    HB3  TRP 791           HB3      TRP 791   9.382 -28.035 -15.044
  313    HD1  TRP 791           HD1      TRP 791   8.205 -31.567 -15.984
  314    HE1  TRP 791           HE1      TRP 791   8.249 -33.055 -13.885
  315    HE3  TRP 791           HE3      TRP 791   9.275 -27.987 -12.478
  316    HZ2  TRP 791           HZ2      TRP 791   8.748 -32.738 -11.060
  317    HZ3  TRP 791           HZ3      TRP 791   9.514 -28.610 -10.088
  318    HH2  TRP 791           HH2      TRP 791   9.254 -30.972  -9.374
  319    H    HIS 792           H        HIS 792   7.579 -25.902 -14.692
  320    HA   HIS 792           HA       HIS 792   8.622 -24.171 -16.739
  321    HB2  HIS 792           HB2      HIS 792   6.636 -22.812 -17.128
  322    HB3  HIS 792           HB3      HIS 792   6.334 -24.457 -17.650
  323    HD1  HIS 792           HD1      HIS 792   4.831 -21.828 -15.495
  324    HD2  HIS 792           HD2      HIS 792   4.812 -26.019 -15.814
  325    HE1  HIS 792           HE1      HIS 792   2.756 -22.632 -14.242
  326    H    ASN 793           H        ASN 793   7.991 -21.705 -15.900
  327    HA   ASN 793           HA       ASN 793   8.623 -21.683 -12.976
  328    HB2  ASN 793           HB2      ASN 793   9.483 -19.867 -15.239
  329    HB3  ASN 793           HB3      ASN 793   9.571 -19.379 -13.554
  330   HD21  ASN 793          HD21      ASN 793  10.970 -20.531 -12.072
  331   HD22  ASN 793          HD22      ASN 793  12.317 -21.462 -12.707
  332    H    GLY 794           H        GLY 794   7.834 -20.005 -11.711
  333    HA2  GLY 794           HA2      GLY 794   5.692 -18.172 -12.507
  334    HA3  GLY 794           HA3      GLY 794   5.162 -19.503 -11.495
  335    H    VAL 795           H        VAL 795   4.628 -17.979  -9.844
  336    HA   VAL 795           HA       VAL 795   6.897 -17.358  -8.055
  337    HB   VAL 795           HB       VAL 795   6.605 -15.198  -8.970
  338   HG11  VAL 795          HG11      VAL 795   4.483 -13.963  -9.059
  339   HG12  VAL 795          HG12      VAL 795   4.424 -15.402 -10.081
  340   HG13  VAL 795          HG13      VAL 795   3.609 -15.388  -8.495
  341   HG21  VAL 795          HG21      VAL 795   4.939 -15.085  -6.403
  342   HG22  VAL 795          HG22      VAL 795   6.686 -15.320  -6.429
  343   HG23  VAL 795          HG23      VAL 795   6.001 -13.832  -7.084
  344    H    LYS 796           H        LYS 796   6.507 -17.723  -5.969
  345    HA   LYS 796           HA       LYS 796   3.878 -18.902  -5.223
  346    HB2  LYS 796           HB2      LYS 796   5.037 -20.075  -3.515
  347    HB3  LYS 796           HB3      LYS 796   5.930 -20.249  -5.021
  348    HG2  LYS 796           HG2      LYS 796   7.308 -18.146  -4.052
  349    HG3  LYS 796           HG3      LYS 796   6.668 -18.737  -2.514
  350    HD2  LYS 796           HD2      LYS 796   8.307 -20.306  -4.532
  351    HD3  LYS 796           HD3      LYS 796   8.906 -19.610  -3.017
  352    HE2  LYS 796           HE2      LYS 796   7.380 -21.076  -1.717
  353    HE3  LYS 796           HE3      LYS 796   6.743 -21.771  -3.212
  354    HZ1  LYS 796           HZ1      LYS 796   8.974 -22.627  -3.694
  355    HZ2  LYS 796           HZ2      LYS 796   8.454 -23.184  -2.255
  356    HZ3  LYS 796           HZ3      LYS 796   9.560 -21.982  -2.305
  357    H    ARG 797           H        ARG 797   2.655 -18.231  -3.646
  358    HA   ARG 797           HA       ARG 797   3.187 -15.618  -2.267
  359    HB2  ARG 797           HB2      ARG 797   0.542 -16.996  -2.844
  360    HB3  ARG 797           HB3      ARG 797   0.772 -15.342  -2.247
  361    HG2  ARG 797           HG2      ARG 797   1.438 -16.418  -5.030
  362    HG3  ARG 797           HG3      ARG 797   0.061 -15.419  -4.602
  363    HD2  ARG 797           HD2      ARG 797   1.502 -13.558  -4.014
  364    HD3  ARG 797           HD3      ARG 797   2.952 -14.512  -4.354
  365    HE   ARG 797           HE       ARG 797   1.756 -14.758  -6.714
  366   HH11  ARG 797          HH11      ARG 797   2.097 -11.759  -4.824
  367   HH12  ARG 797          HH12      ARG 797   1.926 -10.764  -6.246
  368   HH21  ARG 797          HH21      ARG 797   1.624 -13.397  -8.487
  369   HH22  ARG 797          HH22      ARG 797   1.740 -11.684  -8.272
  370    H    PHE 798           H        PHE 798   3.015 -15.597  -0.050
  371    HA   PHE 798           HA       PHE 798   2.715 -18.218   1.353
  372    HB2  PHE 798           HB2      PHE 798   3.890 -15.649   2.442
  373    HB3  PHE 798           HB3      PHE 798   4.055 -17.279   3.088
  374    HD1  PHE 798           HD2      PHE 798   5.255 -19.029   1.518
  375    HD2  PHE 798           HD1      PHE 798   5.658 -14.755   1.154
  376    HE1  PHE 798           HE2      PHE 798   7.358 -19.325   0.235
  377    HE2  PHE 798           HE1      PHE 798   7.760 -15.057  -0.053
  378    HZ   PHE 798           HZ       PHE 798   8.607 -17.341  -0.592
  379    H    PHE 799           H        PHE 799   1.253 -18.472   3.062
  380    HA   PHE 799           HA       PHE 799  -0.576 -16.190   3.656
  381    HB2  PHE 799           HB2      PHE 799  -1.440 -19.037   3.067
  382    HB3  PHE 799           HB3      PHE 799  -2.486 -17.670   3.498
  383    HD1  PHE 799           HD2      PHE 799  -2.940 -15.864   1.899
  384    HD2  PHE 799           HD1      PHE 799  -0.451 -19.211   0.826
  385    HE1  PHE 799           HE2      PHE 799  -3.038 -15.175  -0.487
  386    HE2  PHE 799           HE1      PHE 799  -0.601 -18.554  -1.568
  387    HZ   PHE 799           HZ       PHE 799  -1.875 -16.521  -2.218
  388    H    LYS 800           H        LYS 800  -1.661 -16.215   5.572
  389    HA   LYS 800           HA       LYS 800  -0.899 -18.180   7.684
  390    HB2  LYS 800           HB2      LYS 800   0.536 -16.169   7.827
  391    HB3  LYS 800           HB3      LYS 800  -0.900 -15.137   7.889
  392    HG2  LYS 800           HG2      LYS 800  -1.550 -16.079  10.044
  393    HG3  LYS 800           HG3      LYS 800  -0.241 -17.273   9.974
  394    HD2  LYS 800           HD2      LYS 800   1.423 -15.428  10.021
  395    HD3  LYS 800           HD3      LYS 800   0.107 -14.242  10.086
  396    HE2  LYS 800           HE2      LYS 800  -0.702 -15.279  12.206
  397    HE3  LYS 800           HE3      LYS 800   0.649 -16.427  12.151
  398    HZ1  LYS 800           HZ1      LYS 800   1.122 -14.533  13.593
  399    HZ2  LYS 800           HZ2      LYS 800   0.930 -13.481  12.370
  400    HZ3  LYS 800           HZ3      LYS 800   2.174 -14.542  12.337
  401    H    CYS 801           H        CYS 801  -2.425 -18.711   9.108
  402    HA   CYS 801           HA       CYS 801  -5.222 -17.713   8.792
  403    HB2  CYS 801           HB2      CYS 801  -4.684 -20.154   8.495
  404    HB3  CYS 801           HB3      CYS 801  -4.033 -20.179  10.139
  405    HA   PRO 802           HA       PRO 802  -4.835 -15.500  12.646
  406    HB2  PRO 802           HB2      PRO 802  -7.382 -15.922  13.805
  407    HB3  PRO 802           HB3      PRO 802  -6.940 -14.674  12.599
  408    HG2  PRO 802           HG2      PRO 802  -8.140 -17.406  12.108
  409    HG3  PRO 802           HG3      PRO 802  -8.619 -15.828  11.385
  410    HD2  PRO 802           HD2      PRO 802  -7.077 -17.478   9.992
  411    HD3  PRO 802           HD3      PRO 802  -6.628 -15.752  10.060
  412    H    CYS 803           H        CYS 803  -5.567 -18.968  12.893
  413    HA   CYS 803           HA       CYS 803  -5.091 -19.083  15.760
  414    HB2  CYS 803           HB2      CYS 803  -5.294 -21.456  15.495
  415    HB3  CYS 803           HB3      CYS 803  -6.564 -20.680  14.545
  416    H    GLY 804           H        GLY 804  -3.036 -18.700  13.093
  417    HA2  GLY 804           HA2      GLY 804  -0.695 -18.268  13.361
  418    HA3  GLY 804           HA3      GLY 804  -0.586 -19.527  14.610
  419    H    ASN 805           H        ASN 805  -2.449 -21.026  12.388
  420    HA   ASN 805           HA       ASN 805  -0.343 -22.604  11.284
  421    HB2  ASN 805           HB2      ASN 805  -2.727 -23.307  11.715
  422    HB3  ASN 805           HB3      ASN 805  -3.203 -22.381  10.289
  423   HD21  ASN 805          HD21      ASN 805  -4.037 -24.460   9.476
  424   HD22  ASN 805          HD22      ASN 805  -2.900 -25.654   8.835
  425    H    ARG 806           H        ARG 806   0.197 -22.927   9.029
  426    HA   ARG 806           HA       ARG 806   0.201 -20.435   7.358
  427    HB2  ARG 806           HB2      ARG 806   2.548 -22.264   8.043
  428    HB3  ARG 806           HB3      ARG 806   2.606 -20.939   6.896
  429    HG2  ARG 806           HG2      ARG 806   2.116 -20.674   9.892
  430    HG3  ARG 806           HG3      ARG 806   3.621 -20.344   9.051
  431    HD2  ARG 806           HD2      ARG 806   1.006 -18.819   8.750
  432    HD3  ARG 806           HD3      ARG 806   2.448 -18.262   9.584
  433    HE   ARG 806           HE       ARG 806   1.939 -18.330   6.700
  434   HH11  ARG 806          HH11      ARG 806   4.542 -18.065   9.092
  435   HH12  ARG 806          HH12      ARG 806   5.667 -17.441   7.919
  436   HH21  ARG 806          HH21      ARG 806   3.423 -17.522   5.266
  437   HH22  ARG 806          HH22      ARG 806   5.046 -17.132   5.790
  438    H    THR 807           H        THR 807   0.642 -20.726   5.128
  439    HA   THR 807           HA       THR 807   1.153 -23.291   3.951
  440    HB   THR 807           HB       THR 807  -1.323 -23.504   4.379
  441    HG1  THR 807           HG1      THR 807  -1.604 -24.412   2.354
  442   HG21  THR 807          HG21      THR 807  -2.882 -22.396   2.882
  443   HG22  THR 807          HG22      THR 807  -1.574 -21.487   2.108
  444   HG23  THR 807          HG23      THR 807  -2.003 -21.176   3.810
  445    H    ILE 808           H        ILE 808   0.898 -23.072   1.462
  446    HA   ILE 808           HA       ILE 808   1.867 -20.447   0.469
  447    HB   ILE 808           HB       ILE 808   3.520 -22.965   0.023
  448   HG12  ILE 808          HG12      ILE 808   4.030 -20.812   2.116
  449   HG13  ILE 808          HG13      ILE 808   3.710 -22.524   2.405
  450   HG21  ILE 808          HG21      ILE 808   5.193 -21.413  -0.877
  451   HG22  ILE 808          HG22      ILE 808   3.670 -21.123  -1.690
  452   HG23  ILE 808          HG23      ILE 808   4.198 -20.015  -0.414
  453   HD11  ILE 808          HD11      ILE 808   6.220 -21.378   1.165
  454   HD12  ILE 808          HD12      ILE 808   6.042 -22.190   2.721
  455   HD13  ILE 808          HD13      ILE 808   5.813 -23.115   1.218
  456    H    SER 809           H        SER 809   1.388 -20.168  -1.737
  457    HA   SER 809           HA       SER 809   0.640 -22.446  -3.440
  458    HB2  SER 809           HB2      SER 809  -1.437 -22.049  -2.083
  459    HB3  SER 809           HB3      SER 809  -1.486 -20.394  -2.710
  460    HG   SER 809           HG       SER 809  -2.797 -22.004  -3.877
  461    H    LEU 810           H        LEU 810  -0.056 -21.761  -5.568
  462    HA   LEU 810           HA       LEU 810   1.661 -19.564  -6.570
  463    HB2  LEU 810           HB2      LEU 810   0.245 -21.863  -7.990
  464    HB3  LEU 810           HB3      LEU 810   1.357 -20.719  -8.721
  465    HG   LEU 810           HG       LEU 810   2.516 -22.717  -8.456
  466   HD11  LEU 810          HD11      LEU 810   3.820 -20.686  -7.915
  467   HD12  LEU 810          HD12      LEU 810   4.439 -22.123  -7.086
  468   HD13  LEU 810          HD13      LEU 810   3.483 -20.940  -6.187
  469   HD21  LEU 810          HD21      LEU 810   2.847 -24.062  -6.571
  470   HD22  LEU 810          HD22      LEU 810   1.102 -23.784  -6.690
  471   HD23  LEU 810          HD23      LEU 810   2.077 -22.920  -5.478
  472    H    ASP 811           H        ASP 811  -1.622 -20.195  -5.914
  473    HA   ASP 811           HA       ASP 811  -2.690 -18.111  -7.718
  474    HB2  ASP 811           HB2      ASP 811  -3.882 -20.332  -7.077
  475    HB3  ASP 811           HB3      ASP 811  -4.195 -19.552  -5.527
  476    H    ARG 812           H        ARG 812  -4.062 -16.405  -6.674
  477    HA   ARG 812           HA       ARG 812  -2.528 -14.900  -4.736
  478    HB2  ARG 812           HB2      ARG 812  -4.287 -13.163  -5.053
  479    HB3  ARG 812           HB3      ARG 812  -3.403 -13.659  -6.472
  480    HG2  ARG 812           HG2      ARG 812  -5.689 -13.277  -7.055
  481    HG3  ARG 812           HG3      ARG 812  -5.281 -14.958  -7.309
  482    HD2  ARG 812           HD2      ARG 812  -7.520 -14.765  -6.444
  483    HD3  ARG 812           HD3      ARG 812  -6.503 -15.587  -5.258
  484    HE   ARG 812           HE       ARG 812  -6.444 -12.860  -4.583
  485   HH11  ARG 812          HH11      ARG 812  -8.968 -15.325  -4.821
  486   HH12  ARG 812          HH12      ARG 812  -9.970 -14.542  -3.634
  487   HH21  ARG 812          HH21      ARG 812  -7.766 -11.936  -3.021
  488   HH22  ARG 812          HH22      ARG 812  -9.296 -12.661  -2.618
  489    H    LEU 813           H        LEU 813  -4.926 -17.240  -4.269
  490    HA   LEU 813           HA       LEU 813  -4.787 -16.952  -1.415
  491    HB2  LEU 813           HB2      LEU 813  -6.660 -15.295  -2.307
  492    HB3  LEU 813           HB3      LEU 813  -7.613 -16.738  -2.535
  493    HG   LEU 813           HG       LEU 813  -8.129 -15.477  -0.515
  494   HD11  LEU 813          HD11      LEU 813  -7.044 -18.190   0.281
  495   HD12  LEU 813          HD12      LEU 813  -8.532 -17.909  -0.638
  496   HD13  LEU 813          HD13      LEU 813  -8.378 -17.281   1.009
  497   HD21  LEU 813          HD21      LEU 813  -6.692 -15.307   1.395
  498   HD22  LEU 813          HD22      LEU 813  -5.835 -14.641  -0.007
  499   HD23  LEU 813          HD23      LEU 813  -5.419 -16.253   0.615
  500    HA   PRO 814           HA       PRO 814  -5.093 -21.305  -2.556
  501    HB2  PRO 814           HB2      PRO 814  -4.945 -22.493  -0.071
  502    HB3  PRO 814           HB3      PRO 814  -3.545 -21.768  -0.909
  503    HG2  PRO 814           HG2      PRO 814  -5.336 -20.509   1.192
  504    HG3  PRO 814           HG3      PRO 814  -3.548 -20.541   1.171
  505    HD2  PRO 814           HD2      PRO 814  -4.887 -18.377   0.303
  506    HD3  PRO 814           HD3      PRO 814  -3.471 -18.969  -0.595
  507    H    LYS 815           H        LYS 815  -6.666 -22.889  -2.696
  508    HA   LYS 815           HA       LYS 815  -9.372 -22.073  -1.849
  509    HB2  LYS 815           HB2      LYS 815 -10.144 -23.661  -3.499
  510    HB3  LYS 815           HB3      LYS 815  -8.981 -22.541  -4.154
  511    HG2  LYS 815           HG2      LYS 815  -8.513 -24.605  -5.156
  512    HG3  LYS 815           HG3      LYS 815  -7.201 -24.301  -4.034
  513    HD2  LYS 815           HD2      LYS 815  -7.862 -26.654  -4.083
  514    HD3  LYS 815           HD3      LYS 815  -8.109 -25.982  -2.476
  515    HE2  LYS 815           HE2      LYS 815 -10.545 -25.752  -2.957
  516    HE3  LYS 815           HE3      LYS 815 -10.274 -26.318  -4.608
  517    HZ1  LYS 815           HZ1      LYS 815  -9.805 -27.929  -2.162
  518    HZ2  LYS 815           HZ2      LYS 815  -9.546 -28.450  -3.695
  519    HZ3  LYS 815           HZ3      LYS 815 -11.064 -28.101  -3.194
  520    H    LYS 816           H        LYS 816  -7.130 -23.960  -0.349
  521    HA   LYS 816           HA       LYS 816  -8.994 -26.058   0.601
  522    HB2  LYS 816           HB2      LYS 816  -7.011 -27.182   1.445
  523    HB3  LYS 816           HB3      LYS 816  -6.891 -26.787  -0.254
  524    HG2  LYS 816           HG2      LYS 816  -4.771 -26.264   0.398
  525    HG3  LYS 816           HG3      LYS 816  -5.515 -24.694   0.518
  526    HD2  LYS 816           HD2      LYS 816  -4.137 -24.959   2.443
  527    HD3  LYS 816           HD3      LYS 816  -5.796 -25.108   3.017
  528    HE2  LYS 816           HE2      LYS 816  -5.532 -27.656   2.803
  529    HE3  LYS 816           HE3      LYS 816  -3.829 -27.375   2.431
  530    HZ1  LYS 816           HZ1      LYS 816  -5.249 -26.617   4.920
  531    HZ2  LYS 816           HZ2      LYS 816  -3.654 -26.289   4.637
  532    HZ3  LYS 816           HZ3      LYS 816  -4.164 -27.836   4.786
  533    H    HIS 817           H        HIS 817  -9.243 -26.605   2.832
  534    HA   HIS 817           HA       HIS 817  -9.590 -24.261   4.563
  535    HB2  HIS 817           HB2      HIS 817 -10.083 -27.208   5.120
  536    HB3  HIS 817           HB3      HIS 817 -10.671 -25.846   6.070
  537    HD1  HIS 817           HD1      HIS 817 -12.365 -28.172   4.235
  538    HD2  HIS 817           HD2      HIS 817 -11.914 -24.020   3.757
  539    HE1  HIS 817           HE1      HIS 817 -14.373 -27.391   2.891
  540    H    CYS 818           H        CYS 818  -8.876 -24.245   6.840
  541    HA   CYS 818           HA       CYS 818  -6.071 -24.638   7.181
  542    HB2  CYS 818           HB2      CYS 818  -7.400 -22.950   8.309
  543    HB3  CYS 818           HB3      CYS 818  -8.319 -24.185   9.177
  544    H    SER 819           H        SER 819  -4.874 -26.235   8.020
  545    HA   SER 819           HA       SER 819  -6.025 -28.900   8.534
  546    HB2  SER 819           HB2      SER 819  -3.539 -29.454   8.802
  547    HB3  SER 819           HB3      SER 819  -4.102 -28.930   7.208
  548    HG   SER 819           HG       SER 819  -2.117 -27.908   7.890
  549    H    THR 820           H        THR 820  -5.416 -26.175  10.489
  550    HA   THR 820           HA       THR 820  -4.879 -27.822  12.937
  551    HB   THR 820           HB       THR 820  -4.556 -24.845  12.418
  552    HG1  THR 820           HG1      THR 820  -2.666 -26.950  12.813
  553   HG21  THR 820          HG21      THR 820  -3.836 -26.514  14.864
  554   HG22  THR 820          HG22      THR 820  -5.006 -25.178  14.803
  555   HG23  THR 820          HG23      THR 820  -3.278 -24.854  14.557
  556    H    CYS 821           H        CYS 821  -7.105 -25.249  11.746
  557    HA   CYS 821           HA       CYS 821  -8.952 -26.013  13.989
  558    HB2  CYS 821           HB2      CYS 821  -9.620 -23.788  14.240
  559    HB3  CYS 821           HB3      CYS 821  -7.861 -23.858  14.368
  560    H    GLY 822           H        GLY 822  -8.803 -25.757  10.574
  561    HA2  GLY 822           HA2      GLY 822 -10.230 -26.989   9.197
  562    HA3  GLY 822           HA3      GLY 822 -11.455 -27.013  10.483
  563    H    LEU 823           H        LEU 823 -10.823 -23.815  10.202
  564    HA   LEU 823           HA       LEU 823 -13.090 -23.390   8.340
  565    HB2  LEU 823           HB2      LEU 823 -13.139 -21.110   9.260
  566    HB3  LEU 823           HB3      LEU 823 -13.337 -22.375  10.440
  567    HG   LEU 823           HG       LEU 823 -11.165 -22.040  11.365
  568   HD11  LEU 823          HD11      LEU 823 -10.656 -20.007   9.149
  569   HD12  LEU 823          HD12      LEU 823  -9.745 -21.503   9.482
  570   HD13  LEU 823          HD13      LEU 823  -9.675 -20.154  10.622
  571   HD21  LEU 823          HD21      LEU 823 -12.538 -19.364  10.879
  572   HD22  LEU 823          HD22      LEU 823 -11.420 -19.732  12.204
  573   HD23  LEU 823          HD23      LEU 823 -12.982 -20.562  12.123
  574    H    PHE 824           H        PHE 824 -12.637 -20.868   7.414
  575    HA   PHE 824           HA       PHE 824 -10.228 -21.015   5.665
  576    HB2  PHE 824           HB2      PHE 824 -12.339 -21.929   4.581
  577    HB3  PHE 824           HB3      PHE 824 -13.049 -20.336   4.722
  578    HD1  PHE 824           HD1      PHE 824 -10.352 -22.341   3.115
  579    HD2  PHE 824           HD2      PHE 824 -12.385 -18.531   3.192
  580    HE1  PHE 824           HE1      PHE 824  -9.377 -21.773   0.932
  581    HE2  PHE 824           HE2      PHE 824 -11.366 -17.949   1.000
  582    HZ   PHE 824           HZ       PHE 824  -9.911 -19.588  -0.167
  583    H    LYS 825           H        LYS 825  -9.156 -19.408   6.728
  584    HA   LYS 825           HA       LYS 825 -10.153 -16.629   6.492
  585    HB2  LYS 825           HB2      LYS 825  -9.301 -17.963   9.100
  586    HB3  LYS 825           HB3      LYS 825  -9.390 -16.217   8.907
  587    HG2  LYS 825           HG2      LYS 825 -11.773 -18.075   8.654
  588    HG3  LYS 825           HG3      LYS 825 -11.337 -17.139  10.071
  589    HD2  LYS 825           HD2      LYS 825 -11.613 -15.037   8.888
  590    HD3  LYS 825           HD3      LYS 825 -11.989 -15.865   7.377
  591    HE2  LYS 825           HE2      LYS 825 -13.623 -16.154   9.924
  592    HE3  LYS 825           HE3      LYS 825 -13.962 -14.977   8.642
  593    HZ1  LYS 825           HZ1      LYS 825 -13.961 -17.921   8.304
  594    HZ2  LYS 825           HZ2      LYS 825 -14.233 -16.843   7.103
  595    HZ3  LYS 825           HZ3      LYS 825 -15.289 -16.961   8.349
  596    H    TRP 826           H        TRP 826  -8.150 -18.075   4.990
  597    HA   TRP 826           HA       TRP 826  -5.501 -17.434   5.812
  598    HB2  TRP 826           HB2      TRP 826  -6.662 -17.750   3.012
  599    HB3  TRP 826           HB3      TRP 826  -4.947 -17.732   3.403
  600    HD1  TRP 826           HD1      TRP 826  -7.577 -20.071   2.697
  601    HE1  TRP 826           HE1      TRP 826  -7.023 -22.446   3.452
  602    HE3  TRP 826           HE3      TRP 826  -3.604 -19.014   5.761
  603    HZ2  TRP 826           HZ2      TRP 826  -5.120 -23.729   5.238
  604    HZ3  TRP 826           HZ3      TRP 826  -2.436 -20.833   6.966
  605    HH2  TRP 826           HH2      TRP 826  -3.185 -23.189   6.724
  606    H    GLU 827           H        GLU 827  -4.212 -15.730   5.581
  607    HA   GLU 827           HA       GLU 827  -5.079 -13.297   4.064
  608    HB2  GLU 827           HB2      GLU 827  -5.273 -12.964   6.466
  609    HB3  GLU 827           HB3      GLU 827  -3.633 -13.543   6.743
  610    HG2  GLU 827           HG2      GLU 827  -2.654 -11.643   5.622
  611    HG3  GLU 827           HG3      GLU 827  -4.223 -11.112   5.012
  612    H    ARG 828           H        ARG 828  -3.593 -12.607   2.568
  613    HA   ARG 828           HA       ARG 828  -1.221 -14.134   2.034
  614    HB2  ARG 828           HB2      ARG 828  -2.528 -12.969   0.288
  615    HB3  ARG 828           HB3      ARG 828  -2.030 -11.412   0.948
  616    HG2  ARG 828           HG2      ARG 828   0.341 -11.915   0.422
  617    HG3  ARG 828           HG3      ARG 828  -0.087 -13.562  -0.057
  618    HD2  ARG 828           HD2      ARG 828   0.281 -12.180  -2.030
  619    HD3  ARG 828           HD3      ARG 828  -1.392 -12.713  -1.944
  620    HE   ARG 828           HE       ARG 828  -2.120 -10.537  -1.404
  621   HH11  ARG 828          HH11      ARG 828   1.378 -10.459  -2.190
  622   HH12  ARG 828          HH12      ARG 828   1.396  -8.727  -2.158
  623   HH21  ARG 828          HH21      ARG 828  -1.975  -8.333  -1.461
  624   HH22  ARG 828          HH22      ARG 828  -0.469  -7.552  -1.832
  625    H    VAL 829           H        VAL 829   0.760 -13.901   2.717
  626    HA   VAL 829           HA       VAL 829   1.683 -11.439   4.133
  627    HB   VAL 829           HB       VAL 829   2.910 -12.789   5.774
  628   HG11  VAL 829          HG11      VAL 829   1.059 -13.313   7.242
  629   HG12  VAL 829          HG12      VAL 829   0.714 -11.820   6.344
  630   HG13  VAL 829          HG13      VAL 829  -0.074 -13.353   5.875
  631   HG21  VAL 829          HG21      VAL 829   1.320 -15.190   4.787
  632   HG22  VAL 829          HG22      VAL 829   3.068 -14.948   4.569
  633   HG23  VAL 829          HG23      VAL 829   2.401 -15.137   6.189
  634    H    GLY 830           H        GLY 830   4.174 -11.576   4.426
  635    HA2  GLY 830           HA2      GLY 830   5.354 -12.272   1.762
  636    HA3  GLY 830           HA3      GLY 830   5.971 -11.084   2.933
  637    H    MET 831           H        MET 831   7.470 -13.137   1.627
  638    HA   MET 831           HA       MET 831   8.937 -13.735   3.965
  639    HB2  MET 831           HB2      MET 831   7.255 -15.805   3.484
  640    HB3  MET 831           HB3      MET 831   8.582 -16.271   2.421
  641    HG2  MET 831           HG2      MET 831  10.123 -15.955   4.461
  642    HG3  MET 831           HG3      MET 831   8.644 -15.769   5.408
  643    HE1  MET 831           HE1      MET 831   9.680 -18.208   2.408
  644    HE2  MET 831           HE2      MET 831  11.061 -18.024   3.516
  645    HE3  MET 831           HE3      MET 831  10.236 -19.592   3.368
  646    H    LEU 832           H        LEU 832  11.035 -14.064   3.762
  647    HA   LEU 832           HA       LEU 832  12.663 -14.450   1.493
  648    HB2  LEU 832           HB2      LEU 832  13.374 -12.218   0.979
  649    HB3  LEU 832           HB3      LEU 832  11.679 -12.371   0.615
  650    HG   LEU 832           HG       LEU 832  12.891 -10.883   2.981
  651   HD11  LEU 832          HD11      LEU 832  11.429  -9.914   0.493
  652   HD12  LEU 832          HD12      LEU 832  13.177  -9.818   0.779
  653   HD13  LEU 832          HD13      LEU 832  12.067  -8.888   1.792
  654   HD21  LEU 832          HD21      LEU 832  10.544  -9.957   3.294
  655   HD22  LEU 832          HD22      LEU 832  10.748 -11.629   3.800
  656   HD23  LEU 832          HD23      LEU 832   9.954 -11.273   2.255
  657    H    LYS 833           H        LYS 833  14.764 -14.654   2.169
  658    HA   LYS 833           HA       LYS 833  15.368 -14.025   5.023
  659    HB2  LYS 833           HB2      LYS 833  16.008 -16.338   5.381
  660    HB3  LYS 833           HB3      LYS 833  14.364 -16.286   4.729
  661    HG2  LYS 833           HG2      LYS 833  15.328 -16.761   2.429
  662    HG3  LYS 833           HG3      LYS 833  16.921 -16.951   3.197
  663    HD2  LYS 833           HD2      LYS 833  15.985 -18.764   4.621
  664    HD3  LYS 833           HD3      LYS 833  14.422 -18.598   3.805
  665    HE2  LYS 833           HE2      LYS 833  17.045 -19.218   2.360
  666    HE3  LYS 833           HE3      LYS 833  15.975 -20.471   2.989
  667    HZ1  LYS 833           HZ1      LYS 833  14.223 -19.621   1.548
  668    HZ2  LYS 833           HZ2      LYS 833  15.530 -20.046   0.667
  669    HZ3  LYS 833           HZ3      LYS 833  15.216 -18.469   0.936
  670    H    GLU 834           H        GLU 834  16.560 -13.816   1.969
  671    HA   GLU 834           HA       GLU 834  19.313 -14.409   2.475
  672    HB2  GLU 834           HB2      GLU 834  19.749 -13.643   0.231
  673    HB3  GLU 834           HB3      GLU 834  18.274 -14.592   0.226
  674    HG2  GLU 834           HG2      GLU 834  18.455 -11.550   0.156
  675    HG3  GLU 834           HG3      GLU 834  18.159 -12.587  -1.233
  676    H    LYS 835           H        LYS 835  17.655 -11.858   3.501
  677    HA   LYS 835           HA       LYS 835  19.755  -9.815   3.639
  678    HB2  LYS 835           HB2      LYS 835  17.099 -10.225   5.079
  679    HB3  LYS 835           HB3      LYS 835  18.107  -8.782   5.257
  680    HG2  LYS 835           HG2      LYS 835  17.816  -8.127   2.992
  681    HG3  LYS 835           HG3      LYS 835  17.118  -9.677   2.520
  682    HD2  LYS 835           HD2      LYS 835  15.160  -9.291   3.934
  683    HD3  LYS 835           HD3      LYS 835  15.816  -7.765   4.493
  684    HE2  LYS 835           HE2      LYS 835  15.120  -8.426   1.583
  685    HE3  LYS 835           HE3      LYS 835  14.043  -7.585   2.701
  686    HZ1  LYS 835           HZ1      LYS 835  15.199  -5.986   1.375
  687    HZ2  LYS 835           HZ2      LYS 835  16.667  -6.591   1.745
  688    HZ3  LYS 835           HZ3      LYS 835  15.767  -5.844   2.898
  689    H    THR 836           H        THR 836  19.037 -12.692   5.352
  690    HA   THR 836           HA       THR 836  21.060 -12.080   7.499
  691    HB   THR 836           HB       THR 836  18.659 -13.961   7.629
  692    HG1  THR 836           HG1      THR 836  17.919 -12.376   9.097
  693   HG21  THR 836          HG21      THR 836  20.536 -14.752   9.043
  694   HG22  THR 836          HG22      THR 836  19.245 -14.081  10.046
  695   HG23  THR 836          HG23      THR 836  20.708 -13.119   9.737
  696    H    GLY 837           H        GLY 837  19.669 -14.654   5.467
  697    HA2  GLY 837           HA2      GLY 837  20.623 -16.489   4.416
  698    HA3  GLY 837           HA3      GLY 837  22.228 -15.825   4.761
  699    HA   PRO 838           HA       PRO 838  20.631 -18.134   8.775
  700    HB2  PRO 838           HB2      PRO 838  19.084 -20.330   7.391
  701    HB3  PRO 838           HB3      PRO 838  18.808 -19.596   8.999
  702    HG2  PRO 838           HG2      PRO 838  17.293 -18.856   6.883
  703    HG3  PRO 838           HG3      PRO 838  17.921 -17.603   8.010
  704    HD2  PRO 838           HD2      PRO 838  19.004 -18.419   5.297
  705    HD3  PRO 838           HD3      PRO 838  18.760 -16.786   5.976
  706    H    LYS 839           H        LYS 839  21.905 -19.601   9.809
  707    HA   LYS 839           HA       LYS 839  23.870 -21.108   8.177
  708    HB2  LYS 839           HB2      LYS 839  23.688 -20.152  11.066
  709    HB3  LYS 839           HB3      LYS 839  24.883 -21.345  10.584
  710    HG2  LYS 839           HG2      LYS 839  25.869 -19.131  10.629
  711    HG3  LYS 839           HG3      LYS 839  25.924 -19.825   9.004
  712    HD2  LYS 839           HD2      LYS 839  24.087 -18.435   8.291
  713    HD3  LYS 839           HD3      LYS 839  23.868 -17.771   9.935
  714    HE2  LYS 839           HE2      LYS 839  26.153 -16.763   9.771
  715    HE3  LYS 839           HE3      LYS 839  26.324 -17.454   8.152
  716    HZ1  LYS 839           HZ1      LYS 839  25.581 -15.202   7.929
  717    HZ2  LYS 839           HZ2      LYS 839  24.342 -15.410   8.984
  718    HZ3  LYS 839           HZ3      LYS 839  24.313 -16.148   7.527
  719    H    LEU 840           H        LEU 840  21.068 -21.823  10.040
  720    HA   LEU 840           HA       LEU 840  21.832 -24.627  10.674
  721    HB2  LEU 840           HB2      LEU 840  19.300 -23.047  11.270
  722    HB3  LEU 840           HB3      LEU 840  19.670 -24.656  11.874
  723    HG   LEU 840           HG       LEU 840  21.183 -22.106  12.581
  724   HD11  LEU 840          HD11      LEU 840  19.317 -23.866  14.218
  725   HD12  LEU 840          HD12      LEU 840  18.935 -22.254  13.570
  726   HD13  LEU 840          HD13      LEU 840  20.195 -22.432  14.806
  727   HD21  LEU 840          HD21      LEU 840  22.315 -23.527  14.292
  728   HD22  LEU 840          HD22      LEU 840  22.744 -23.984  12.644
  729   HD23  LEU 840          HD23      LEU 840  21.586 -24.974  13.557
  730    H    GLY 841           H        GLY 841  20.358 -26.371  10.211
  731    HA2  GLY 841           HA2      GLY 841  19.498 -26.443   7.392
  732    HA3  GLY 841           HA3      GLY 841  19.545 -27.796   8.535
  733    H    GLY 842           H        GLY 842  17.479 -27.884   7.058
  734    HA2  GLY 842           HA2      GLY 842  15.167 -27.694   8.757
  735    HA3  GLY 842           HA3      GLY 842  15.136 -26.385   7.569
  Start of MODEL   18
    1    H1   GLY  -4           H1       GLY  -4  15.093   3.765 -20.035
    2    H2   GLY  -4           H2       GLY  -4  16.557   3.206 -20.520
    3    H3   GLY  -4           H3       GLY  -4  15.903   2.690 -19.104
    4    HA2  GLY  -4           HA2      GLY  -4  14.815   2.152 -21.795
    5    HA3  GLY  -4           HA3      GLY  -4  15.695   0.988 -20.793
    6    HA   PRO  -3           HA       PRO  -3  11.169   0.247 -20.062
    7    HB2  PRO  -3           HB2      PRO  -3  12.379  -2.475 -19.574
    8    HB3  PRO  -3           HB3      PRO  -3  10.843  -2.052 -20.403
    9    HG2  PRO  -3           HG2      PRO  -3  13.027  -2.714 -21.857
   10    HG3  PRO  -3           HG3      PRO  -3  12.011  -1.318 -22.355
   11    HD2  PRO  -3           HD2      PRO  -3  14.609  -1.292 -20.812
   12    HD3  PRO  -3           HD3      PRO  -3  14.119  -0.272 -22.192
   13    H    MET  -2           H        MET  -2  10.017  -0.426 -18.144
   14    HA   MET  -2           HA       MET  -2  11.306   0.336 -15.669
   15    HB2  MET  -2           HB2      MET  -2   9.141   0.048 -14.654
   16    HB3  MET  -2           HB3      MET  -2   8.989   0.925 -16.176
   17    HG2  MET  -2           HG2      MET  -2   8.205  -1.174 -17.288
   18    HG3  MET  -2           HG3      MET  -2   8.419  -2.050 -15.772
   19    HE1  MET  -2           HE1      MET  -2   6.283   0.450 -17.832
   20    HE2  MET  -2           HE2      MET  -2   5.096   1.052 -16.665
   21    HE3  MET  -2           HE3      MET  -2   6.789   1.549 -16.532
   22    H    GLY  -1           H        GLY  -1  11.369  -0.824 -13.691
   23    HA2  GLY  -1           HA2      GLY  -1  11.582  -3.815 -13.865
   24    HA3  GLY  -1           HA3      GLY  -1  12.771  -2.819 -13.004
   25    H    MET 755           H        MET 755  11.458  -4.853 -11.755
   26    HA   MET 755           HA       MET 755   9.934  -3.455  -9.598
   27    HB2  MET 755           HB2      MET 755   9.209  -6.126 -10.894
   28    HB3  MET 755           HB3      MET 755   8.539  -5.526  -9.375
   29    HG2  MET 755           HG2      MET 755   7.600  -3.559 -10.550
   30    HG3  MET 755           HG3      MET 755   8.311  -4.100 -12.055
   31    HE1  MET 755           HE1      MET 755   5.524  -4.627  -9.393
   32    HE2  MET 755           HE2      MET 755   4.693  -6.094  -9.958
   33    HE3  MET 755           HE3      MET 755   6.310  -6.218  -9.249
   34    H    GLN 756           H        GLN 756  10.406  -4.158  -7.546
   35    HA   GLN 756           HA       GLN 756  12.372  -6.367  -7.129
   36    HB2  GLN 756           HB2      GLN 756  12.797  -3.446  -6.356
   37    HB3  GLN 756           HB3      GLN 756  13.715  -4.770  -5.676
   38    HG2  GLN 756           HG2      GLN 756  13.706  -4.091  -8.647
   39    HG3  GLN 756           HG3      GLN 756  14.876  -3.501  -7.483
   40   HE21  GLN 756          HE21      GLN 756  13.751  -6.430  -9.190
   41   HE22  GLN 756          HE22      GLN 756  15.193  -7.379  -8.831
   42    H    SER 757           H        SER 757  10.778  -3.695  -5.261
   43    HA   SER 757           HA       SER 757  10.886  -5.307  -2.896
   44    HB2  SER 757           HB2      SER 757   9.646  -2.573  -3.324
   45    HB3  SER 757           HB3      SER 757  10.094  -3.295  -1.774
   46    HG   SER 757           HG       SER 757  11.713  -1.849  -2.537
   47    H    ILE 758           H        ILE 758   9.421  -6.909  -4.173
   48    HA   ILE 758           HA       ILE 758   6.529  -6.522  -3.428
   49    HB   ILE 758           HB       ILE 758   7.479  -8.525  -5.484
   50   HG12  ILE 758          HG12      ILE 758   8.599  -6.491  -6.284
   51   HG13  ILE 758          HG13      ILE 758   7.351  -7.043  -7.328
   52   HG21  ILE 758          HG21      ILE 758   5.124  -8.519  -4.707
   53   HG22  ILE 758          HG22      ILE 758   4.942  -6.854  -5.227
   54   HG23  ILE 758          HG23      ILE 758   5.240  -8.126  -6.426
   55   HD11  ILE 758          HD11      ILE 758   6.984  -4.740  -5.372
   56   HD12  ILE 758          HD12      ILE 758   7.404  -4.565  -7.086
   57   HD13  ILE 758          HD13      ILE 758   5.836  -5.244  -6.633
   58    H    ARG 759           H        ARG 759   5.526  -8.106  -2.193
   59    HA   ARG 759           HA       ARG 759   7.305  -9.950  -0.808
   60    HB2  ARG 759           HB2      ARG 759   5.619 -10.248   0.787
   61    HB3  ARG 759           HB3      ARG 759   5.843  -8.530   0.423
   62    HG2  ARG 759           HG2      ARG 759   3.732  -8.881  -1.147
   63    HG3  ARG 759           HG3      ARG 759   3.501 -10.351  -0.157
   64    HD2  ARG 759           HD2      ARG 759   3.682  -8.918   1.873
   65    HD3  ARG 759           HD3      ARG 759   3.753  -7.494   0.829
   66    HE   ARG 759           HE       ARG 759   1.488  -8.048   0.004
   67   HH11  ARG 759          HH21      ARG 759   2.346  -9.477   3.134
   68   HH12  ARG 759          HH22      ARG 759   0.666  -9.753   3.548
   69   HH21  ARG 759          HH11      ARG 759  -0.618  -8.330   0.670
   70   HH22  ARG 759          HH12      ARG 759  -0.963  -9.024   2.225
   71    H    GLU 760           H        GLU 760   7.597 -10.949  -2.870
   72    HA   GLU 760           HA       GLU 760   6.669 -13.677  -2.846
   73    HB2  GLU 760           HB2      GLU 760   5.718 -13.704  -5.157
   74    HB3  GLU 760           HB3      GLU 760   4.711 -12.939  -3.947
   75    HG2  GLU 760           HG2      GLU 760   5.484 -10.701  -4.767
   76    HG3  GLU 760           HG3      GLU 760   6.449 -11.514  -6.005
   77    H    GLN 761           H        GLN 761   7.615 -14.965  -4.715
   78    HA   GLN 761           HA       GLN 761   9.992 -13.800  -5.984
   79    HB2  GLN 761           HB2      GLN 761  11.601 -15.275  -4.951
   80    HB3  GLN 761           HB3      GLN 761  10.769 -14.361  -3.686
   81    HG2  GLN 761           HG2      GLN 761   9.255 -16.410  -3.362
   82    HG3  GLN 761           HG3      GLN 761  10.331 -17.286  -4.468
   83   HE21  GLN 761          HE21      GLN 761  10.250 -15.510  -1.341
   84   HE22  GLN 761          HE22      GLN 761  11.635 -16.363  -0.661
   85    H    SER 762           H        SER 762  10.909 -15.111  -7.635
   86    HA   SER 762           HA       SER 762   8.972 -16.922  -8.845
   87    HB2  SER 762           HB2      SER 762  10.523 -16.872 -10.771
   88    HB3  SER 762           HB3      SER 762   9.963 -15.278 -10.263
   89    HG   SER 762           HG       SER 762  12.220 -15.268 -10.690
   90    H    CYS 763           H        CYS 763   9.338 -19.037  -9.528
   91    HA   CYS 763           HA       CYS 763  11.608 -20.646  -8.612
   92    HB2  CYS 763           HB2      CYS 763  10.149 -20.125  -6.548
   93    HB3  CYS 763           HB3      CYS 763   8.869 -21.070  -7.319
   94    HG   CYS 763           HG       CYS 763  11.959 -21.970  -6.444
   95    H    ARG 764           H        ARG 764  11.343 -22.930  -9.220
   96    HA   ARG 764           HA       ARG 764   9.935 -23.200 -11.756
   97    HB2  ARG 764           HB2      ARG 764  12.240 -24.260 -11.023
   98    HB3  ARG 764           HB3      ARG 764  11.218 -25.543 -10.354
   99    HG2  ARG 764           HG2      ARG 764  10.120 -25.707 -12.651
  100    HG3  ARG 764           HG3      ARG 764  11.261 -24.487 -13.223
  101    HD2  ARG 764           HD2      ARG 764  12.047 -26.642 -13.911
  102    HD3  ARG 764           HD3      ARG 764  13.139 -26.045 -12.651
  103    HE   ARG 764           HE       ARG 764  11.055 -27.663 -11.503
  104   HH11  ARG 764          HH11      ARG 764  14.037 -28.081 -13.354
  105   HH12  ARG 764          HH12      ARG 764  14.205 -29.737 -12.870
  106   HH21  ARG 764          HH21      ARG 764  11.303 -29.808 -10.954
  107   HH22  ARG 764          HH22      ARG 764  12.694 -30.694 -11.495
  108    H    VAL 765           H        VAL 765   8.168 -24.443 -12.226
  109    HA   VAL 765           HA       VAL 765   6.492 -25.607 -10.035
  110    HB   VAL 765           HB       VAL 765   4.538 -24.301 -10.860
  111   HG11  VAL 765          HG11      VAL 765   5.093 -22.153  -9.837
  112   HG12  VAL 765          HG12      VAL 765   5.750 -23.491  -8.874
  113   HG13  VAL 765          HG13      VAL 765   6.818 -22.511  -9.903
  114   HG21  VAL 765          HG21      VAL 765   6.543 -22.620 -12.413
  115   HG22  VAL 765          HG22      VAL 765   5.404 -23.766 -13.138
  116   HG23  VAL 765          HG23      VAL 765   4.794 -22.351 -12.267
  117    H    VAL 766           H        VAL 766   4.487 -26.617 -10.954
  118    HA   VAL 766           HA       VAL 766   4.967 -27.839 -13.635
  119    HB   VAL 766           HB       VAL 766   6.235 -29.182 -12.176
  120   HG11  VAL 766          HG11      VAL 766   5.415 -30.374 -10.266
  121   HG12  VAL 766          HG12      VAL 766   5.220 -28.657  -9.989
  122   HG13  VAL 766          HG13      VAL 766   3.798 -29.658 -10.410
  123   HG21  VAL 766          HG21      VAL 766   4.939 -30.377 -13.914
  124   HG22  VAL 766          HG22      VAL 766   5.285 -31.388 -12.494
  125   HG23  VAL 766          HG23      VAL 766   3.669 -30.712 -12.720
  126    H    THR 767           H        THR 767   3.277 -28.334 -14.745
  127    HA   THR 767           HA       THR 767   0.543 -28.178 -13.554
  128    HB   THR 767           HB       THR 767   1.404 -28.051 -16.465
  129    HG1  THR 767           HG1      THR 767   1.013 -25.834 -16.211
  130   HG21  THR 767          HG21      THR 767  -0.961 -28.810 -16.118
  131   HG22  THR 767          HG22      THR 767  -0.863 -27.215 -16.875
  132   HG23  THR 767          HG23      THR 767  -1.261 -27.353 -15.148
  133    H    CYS 768           H        CYS 768  -0.314 -30.148 -13.050
  134    HA   CYS 768           HA       CYS 768   0.404 -32.600 -14.515
  135    HB2  CYS 768           HB2      CYS 768  -0.205 -32.720 -12.114
  136    HB3  CYS 768           HB3      CYS 768  -1.805 -32.063 -12.493
  137    H    LYS 769           H        LYS 769  -0.490 -33.133 -16.396
  138    HA   LYS 769           HA       LYS 769  -2.549 -31.421 -17.603
  139    HB2  LYS 769           HB2      LYS 769  -1.199 -33.926 -18.717
  140    HB3  LYS 769           HB3      LYS 769  -2.059 -32.699 -19.632
  141    HG2  LYS 769           HG2      LYS 769   0.610 -32.380 -18.189
  142    HG3  LYS 769           HG3      LYS 769   0.356 -32.458 -19.917
  143    HD2  LYS 769           HD2      LYS 769  -0.675 -30.226 -18.101
  144    HD3  LYS 769           HD3      LYS 769   0.813 -30.150 -19.011
  145    HE2  LYS 769           HE2      LYS 769  -1.957 -30.493 -20.277
  146    HE3  LYS 769           HE3      LYS 769  -1.117 -28.956 -20.097
  147    HZ1  LYS 769           HZ1      LYS 769  -0.731 -29.857 -22.289
  148    HZ2  LYS 769           HZ2      LYS 769  -0.121 -31.251 -21.684
  149    HZ3  LYS 769           HZ3      LYS 769   0.688 -29.850 -21.466
  150    H    THR 770           H        THR 770  -2.486 -34.478 -15.965
  151    HA   THR 770           HA       THR 770  -5.002 -35.516 -17.019
  152    HB   THR 770           HB       THR 770  -3.462 -36.342 -14.537
  153    HG1  THR 770           HG1      THR 770  -3.317 -37.267 -17.232
  154   HG21  THR 770          HG21      THR 770  -4.526 -38.552 -15.002
  155   HG22  THR 770          HG22      THR 770  -5.497 -37.798 -16.290
  156   HG23  THR 770          HG23      THR 770  -5.720 -37.313 -14.598
  157    H    CYS 771           H        CYS 771  -4.050 -33.903 -13.921
  158    HA   CYS 771           HA       CYS 771  -6.889 -33.734 -13.113
  159    HB2  CYS 771           HB2      CYS 771  -4.311 -32.955 -11.707
  160    HB3  CYS 771           HB3      CYS 771  -5.909 -33.012 -10.973
  161    H    LYS 772           H        LYS 772  -4.565 -31.729 -14.633
  162    HA   LYS 772           HA       LYS 772  -4.538 -29.633 -15.435
  163    HB2  LYS 772           HB2      LYS 772  -7.476 -29.383 -14.669
  164    HB3  LYS 772           HB3      LYS 772  -6.567 -28.355 -15.760
  165    HG2  LYS 772           HG2      LYS 772  -7.390 -29.630 -17.394
  166    HG3  LYS 772           HG3      LYS 772  -6.096 -30.758 -16.959
  167    HD2  LYS 772           HD2      LYS 772  -7.721 -31.991 -15.484
  168    HD3  LYS 772           HD3      LYS 772  -8.965 -30.818 -15.912
  169    HE2  LYS 772           HE2      LYS 772  -9.396 -32.665 -17.296
  170    HE3  LYS 772           HE3      LYS 772  -8.626 -31.477 -18.351
  171    HZ1  LYS 772           HZ1      LYS 772  -6.532 -32.741 -18.065
  172    HZ2  LYS 772           HZ2      LYS 772  -7.715 -33.702 -18.658
  173    HZ3  LYS 772           HZ3      LYS 772  -7.298 -33.798 -17.074
  174    H    TYR 773           H        TYR 773  -3.932 -30.133 -12.529
  175    HA   TYR 773           HA       TYR 773  -4.368 -27.440 -11.333
  176    HB2  TYR 773           HB2      TYR 773  -3.399 -28.277  -9.335
  177    HB3  TYR 773           HB3      TYR 773  -4.648 -29.363  -9.874
  178    HD1  TYR 773           HD1      TYR 773  -0.869 -28.937  -9.983
  179    HD2  TYR 773           HD2      TYR 773  -4.194 -31.679  -9.795
  180    HE1  TYR 773           HE1      TYR 773   0.701 -30.803  -9.638
  181    HE2  TYR 773           HE2      TYR 773  -2.628 -33.502  -9.220
  182    HH   TYR 773           HH       TYR 773  -0.415 -34.170  -9.094
  183    H    THR 774           H        THR 774  -2.504 -26.284 -10.402
  184    HA   THR 774           HA       THR 774   0.131 -26.852 -11.665
  185    HB   THR 774           HB       THR 774  -0.813 -24.008 -11.155
  186    HG1  THR 774           HG1      THR 774  -1.121 -23.909 -13.381
  187   HG21  THR 774          HG21      THR 774   1.475 -25.195 -12.833
  188   HG22  THR 774          HG22      THR 774   1.669 -24.462 -11.238
  189   HG23  THR 774          HG23      THR 774   1.123 -23.469 -12.594
  190    H    HIS 775           H        HIS 775   1.591 -27.232 -10.125
  191    HA   HIS 775           HA       HIS 775   1.424 -25.969  -7.419
  192    HB2  HIS 775           HB2      HIS 775   1.789 -28.934  -8.064
  193    HB3  HIS 775           HB3      HIS 775   2.095 -28.230  -6.486
  194    HD1  HIS 775           HD1      HIS 775  -0.093 -30.523  -7.008
  195    HD2  HIS 775           HD2      HIS 775  -0.762 -26.403  -6.551
  196    HE1  HIS 775           HE1      HIS 775  -2.478 -30.282  -6.183
  197    H    PHE 776           H        PHE 776   3.549 -26.585  -6.179
  198    HA   PHE 776           HA       PHE 776   5.852 -25.727  -7.728
  199    HB2  PHE 776           HB2      PHE 776   6.027 -26.989  -4.986
  200    HB3  PHE 776           HB3      PHE 776   6.992 -25.699  -5.674
  201    HD1  PHE 776           HD2      PHE 776   5.850 -23.364  -5.968
  202    HD2  PHE 776           HD1      PHE 776   4.174 -26.584  -3.619
  203    HE1  PHE 776           HE2      PHE 776   4.327 -21.769  -4.824
  204    HE2  PHE 776           HE1      PHE 776   2.682 -24.968  -2.473
  205    HZ   PHE 776           HZ       PHE 776   2.766 -22.562  -3.078
  206    H    LYS 777           H        LYS 777   4.626 -28.835  -6.641
  207    HA   LYS 777           HA       LYS 777   6.597 -30.317  -8.258
  208    HB2  LYS 777           HB2      LYS 777   7.141 -31.858  -6.474
  209    HB3  LYS 777           HB3      LYS 777   7.539 -30.223  -5.957
  210    HG2  LYS 777           HG2      LYS 777   5.493 -30.150  -4.562
  211    HG3  LYS 777           HG3      LYS 777   5.007 -31.746  -5.163
  212    HD2  LYS 777           HD2      LYS 777   7.037 -32.763  -4.188
  213    HD3  LYS 777           HD3      LYS 777   7.572 -31.163  -3.651
  214    HE2  LYS 777           HE2      LYS 777   6.644 -32.284  -1.742
  215    HE3  LYS 777           HE3      LYS 777   5.542 -30.983  -2.203
  216    HZ1  LYS 777           HZ1      LYS 777   5.175 -33.888  -2.727
  217    HZ2  LYS 777           HZ2      LYS 777   4.189 -32.715  -3.340
  218    HZ3  LYS 777           HZ3      LYS 777   4.304 -32.954  -1.724
  219    HA   PRO 778           HA       PRO 778   2.887 -32.730  -9.064
  220    HB2  PRO 778           HB2      PRO 778   3.808 -35.200  -9.726
  221    HB3  PRO 778           HB3      PRO 778   4.058 -33.774 -10.781
  222    HG2  PRO 778           HG2      PRO 778   6.005 -34.988  -8.796
  223    HG3  PRO 778           HG3      PRO 778   6.322 -34.490 -10.491
  224    HD2  PRO 778           HD2      PRO 778   6.912 -32.902  -8.357
  225    HD3  PRO 778           HD3      PRO 778   6.391 -32.233  -9.921
  226    H    LYS 779           H        LYS 779   1.460 -34.009  -7.855
  227    HA   LYS 779           HA       LYS 779   2.089 -34.526  -5.104
  228    HB2  LYS 779           HB2      LYS 779  -0.218 -35.440  -6.851
  229    HB3  LYS 779           HB3      LYS 779  -0.116 -35.726  -5.122
  230    HG2  LYS 779           HG2      LYS 779  -0.158 -33.330  -4.634
  231    HG3  LYS 779           HG3      LYS 779  -0.072 -32.943  -6.358
  232    HD2  LYS 779           HD2      LYS 779  -2.351 -32.683  -5.572
  233    HD3  LYS 779           HD3      LYS 779  -2.268 -34.028  -6.725
  234    HE2  LYS 779           HE2      LYS 779  -2.180 -35.634  -4.816
  235    HE3  LYS 779           HE3      LYS 779  -2.298 -34.291  -3.677
  236    HZ1  LYS 779           HZ1      LYS 779  -4.474 -33.756  -4.647
  237    HZ2  LYS 779           HZ2      LYS 779  -4.456 -35.284  -4.064
  238    HZ3  LYS 779           HZ3      LYS 779  -4.360 -35.034  -5.673
  239    H    GLU 780           H        GLU 780   2.195 -36.484  -3.969
  240    HA   GLU 780           HA       GLU 780   3.809 -38.541  -5.077
  241    HB2  GLU 780           HB2      GLU 780   2.053 -38.470  -2.571
  242    HB3  GLU 780           HB3      GLU 780   3.160 -39.785  -2.955
  243    HG2  GLU 780           HG2      GLU 780   4.226 -38.316  -1.375
  244    HG3  GLU 780           HG3      GLU 780   5.084 -38.283  -2.908
  245    H    THR 781           H        THR 781   0.262 -38.281  -4.826
  246    HA   THR 781           HA       THR 781  -0.397 -40.907  -5.808
  247    HB   THR 781           HB       THR 781  -2.555 -39.732  -6.484
  248    HG1  THR 781           HG1      THR 781  -2.048 -37.632  -6.646
  249   HG21  THR 781          HG21      THR 781  -1.644 -39.444  -3.590
  250   HG22  THR 781          HG22      THR 781  -2.287 -40.923  -4.345
  251   HG23  THR 781          HG23      THR 781  -3.315 -39.499  -4.182
  252    H    CYS 782           H        CYS 782   0.138 -37.757  -7.476
  253    HA   CYS 782           HA       CYS 782  -0.436 -38.754 -10.068
  254    HB2  CYS 782           HB2      CYS 782   1.149 -36.311  -9.122
  255    HB3  CYS 782           HB3      CYS 782   0.647 -36.608 -10.780
  256    H    VAL 783           H        VAL 783   2.615 -38.465  -8.284
  257    HA   VAL 783           HA       VAL 783   4.309 -39.508 -10.382
  258    HB   VAL 783           HB       VAL 783   4.713 -39.497  -7.365
  259   HG11  VAL 783          HG11      VAL 783   6.693 -40.162  -9.592
  260   HG12  VAL 783          HG12      VAL 783   7.136 -39.862  -7.895
  261   HG13  VAL 783          HG13      VAL 783   6.140 -41.260  -8.300
  262   HG21  VAL 783          HG21      VAL 783   4.626 -37.231  -8.454
  263   HG22  VAL 783          HG22      VAL 783   6.236 -37.600  -7.848
  264   HG23  VAL 783          HG23      VAL 783   5.877 -37.753  -9.590
  265    H    SER 784           H        SER 784   2.567 -41.156  -7.663
  266    HA   SER 784           HA       SER 784   3.520 -43.786  -8.303
  267    HB2  SER 784           HB2      SER 784   2.604 -43.069  -6.116
  268    HB3  SER 784           HB3      SER 784   0.988 -42.961  -6.835
  269    HG   SER 784           HG       SER 784   1.344 -44.994  -5.785
  270    H    GLU 785           H        GLU 785   0.457 -42.145  -9.234
  271    HA   GLU 785           HA       GLU 785  -0.483 -44.375 -10.874
  272    HB2  GLU 785           HB2      GLU 785  -1.438 -41.498 -10.568
  273    HB3  GLU 785           HB3      GLU 785  -2.263 -42.719 -11.511
  274    HG2  GLU 785           HG2      GLU 785  -1.769 -42.936  -8.501
  275    HG3  GLU 785           HG3      GLU 785  -3.253 -42.356  -9.261
  276    H    ASN 786           H        ASN 786   1.901 -42.059 -11.426
  277    HA   ASN 786           HA       ASN 786   3.028 -41.292 -13.211
  278    HB2  ASN 786           HB2      ASN 786   2.047 -43.931 -14.342
  279    HB3  ASN 786           HB3      ASN 786   3.126 -42.859 -15.225
  280   HD21  ASN 786          HD21      ASN 786   2.893 -44.635 -12.074
  281   HD22  ASN 786          HD22      ASN 786   4.627 -44.800 -11.917
  282    H    HIS 787           H        HIS 787   0.901 -39.808 -12.890
  283    HA   HIS 787           HA       HIS 787  -0.612 -39.241 -15.333
  284    HB2  HIS 787           HB2      HIS 787   0.132 -37.517 -12.947
  285    HB3  HIS 787           HB3      HIS 787  -0.898 -37.001 -14.277
  286    HD2  HIS 787           HD2      HIS 787  -1.917 -40.465 -13.703
  287    HE1  HIS 787           HE1      HIS 787  -4.483 -38.296 -11.098
  288    HE2  HIS 787           HE2      HIS 787  -4.069 -40.544 -12.235
  289    H    ASP 788           H        ASP 788  -0.238 -37.431 -16.745
  290    HA   ASP 788           HA       ASP 788   2.637 -37.002 -17.400
  291    HB2  ASP 788           HB2      ASP 788   0.062 -36.255 -18.828
  292    HB3  ASP 788           HB3      ASP 788   1.668 -35.784 -19.372
  293    H    PHE 789           H        PHE 789   3.701 -35.085 -17.021
  294    HA   PHE 789           HA       PHE 789   2.104 -32.702 -16.337
  295    HB2  PHE 789           HB2      PHE 789   4.398 -32.484 -14.719
  296    HB3  PHE 789           HB3      PHE 789   2.729 -32.584 -14.232
  297    HD1  PHE 789           HD2      PHE 789   1.737 -34.787 -13.528
  298    HD2  PHE 789           HD1      PHE 789   5.949 -34.238 -14.273
  299    HE1  PHE 789           HE2      PHE 789   2.248 -36.814 -12.189
  300    HE2  PHE 789           HE1      PHE 789   6.455 -36.247 -12.907
  301    HZ   PHE 789           HZ       PHE 789   4.608 -37.554 -11.870
  302    H    HIS 790           H        HIS 790   3.034 -30.709 -16.693
  303    HA   HIS 790           HA       HIS 790   5.517 -30.632 -18.396
  304    HB2  HIS 790           HB2      HIS 790   2.981 -28.951 -18.466
  305    HB3  HIS 790           HB3      HIS 790   4.504 -28.399 -19.150
  306    HD1  HIS 790           HD1      HIS 790   4.209 -28.554 -21.689
  307    HD2  HIS 790           HD2      HIS 790   2.767 -31.909 -19.606
  308    HE1  HIS 790           HE1      HIS 790   3.392 -30.197 -23.455
  309    H    TRP 791           H        TRP 791   7.195 -29.756 -17.304
  310    HA   TRP 791           HA       TRP 791   6.835 -27.990 -14.977
  311    HB2  TRP 791           HB2      TRP 791   9.268 -29.169 -16.375
  312    HB3  TRP 791           HB3      TRP 791   9.374 -27.995 -15.085
  313    HD1  TRP 791           HD1      TRP 791   8.473 -31.638 -15.678
  314    HE1  TRP 791           HE1      TRP 791   8.484 -32.903 -13.440
  315    HE3  TRP 791           HE3      TRP 791   8.908 -27.650 -12.500
  316    HZ2  TRP 791           HZ2      TRP 791   8.742 -32.262 -10.634
  317    HZ3  TRP 791           HZ3      TRP 791   9.001 -28.005 -10.049
  318    HH2  TRP 791           HH2      TRP 791   8.930 -30.303  -9.108
  319    H    HIS 792           H        HIS 792   7.462 -25.878 -14.819
  320    HA   HIS 792           HA       HIS 792   8.783 -24.382 -16.897
  321    HB2  HIS 792           HB2      HIS 792   7.037 -22.858 -17.528
  322    HB3  HIS 792           HB3      HIS 792   6.455 -24.480 -17.849
  323    HD1  HIS 792           HD1      HIS 792   5.494 -21.366 -15.993
  324    HD2  HIS 792           HD2      HIS 792   4.609 -25.481 -15.935
  325    HE1  HIS 792           HE1      HIS 792   3.271 -21.596 -14.797
  326    H    ASN 793           H        ASN 793   8.344 -21.792 -16.117
  327    HA   ASN 793           HA       ASN 793   8.941 -21.824 -13.187
  328    HB2  ASN 793           HB2      ASN 793  10.621 -21.007 -15.144
  329    HB3  ASN 793           HB3      ASN 793   9.751 -19.495 -14.881
  330   HD21  ASN 793          HD21      ASN 793   9.875 -18.536 -12.669
  331   HD22  ASN 793          HD22      ASN 793  11.175 -19.046 -11.607
  332    H    GLY 794           H        GLY 794   8.001 -20.367 -11.819
  333    HA2  GLY 794           HA2      GLY 794   5.821 -18.541 -12.732
  334    HA3  GLY 794           HA3      GLY 794   5.422 -19.880 -11.671
  335    H    VAL 795           H        VAL 795   4.677 -18.094 -10.267
  336    HA   VAL 795           HA       VAL 795   6.835 -17.154  -8.429
  337    HB   VAL 795           HB       VAL 795   4.588 -15.400  -9.508
  338   HG11  VAL 795          HG11      VAL 795   6.671 -14.838  -7.342
  339   HG12  VAL 795          HG12      VAL 795   5.661 -13.601  -8.104
  340   HG13  VAL 795          HG13      VAL 795   4.908 -14.868  -7.138
  341   HG21  VAL 795          HG21      VAL 795   6.464 -13.943 -10.289
  342   HG22  VAL 795          HG22      VAL 795   7.635 -15.163  -9.765
  343   HG23  VAL 795          HG23      VAL 795   6.494 -15.527 -11.079
  344    H    LYS 796           H        LYS 796   6.364 -17.243  -6.311
  345    HA   LYS 796           HA       LYS 796   3.718 -18.384  -5.513
  346    HB2  LYS 796           HB2      LYS 796   4.872 -19.715  -3.931
  347    HB3  LYS 796           HB3      LYS 796   5.707 -19.864  -5.476
  348    HG2  LYS 796           HG2      LYS 796   7.191 -17.855  -4.416
  349    HG3  LYS 796           HG3      LYS 796   6.626 -18.586  -2.909
  350    HD2  LYS 796           HD2      LYS 796   8.093 -20.001  -5.166
  351    HD3  LYS 796           HD3      LYS 796   8.827 -19.444  -3.661
  352    HE2  LYS 796           HE2      LYS 796   7.344 -20.965  -2.352
  353    HE3  LYS 796           HE3      LYS 796   6.591 -21.530  -3.850
  354    HZ1  LYS 796           HZ1      LYS 796   8.336 -23.051  -3.098
  355    HZ2  LYS 796           HZ2      LYS 796   9.462 -21.862  -3.186
  356    HZ3  LYS 796           HZ3      LYS 796   8.743 -22.403  -4.545
  357    H    ARG 797           H        ARG 797   2.759 -17.869  -3.608
  358    HA   ARG 797           HA       ARG 797   3.645 -15.431  -2.121
  359    HB2  ARG 797           HB2      ARG 797   0.804 -15.547  -2.027
  360    HB3  ARG 797           HB3      ARG 797   1.817 -14.295  -2.650
  361    HG2  ARG 797           HG2      ARG 797   0.933 -16.651  -4.360
  362    HG3  ARG 797           HG3      ARG 797  -0.034 -15.205  -4.153
  363    HD2  ARG 797           HD2      ARG 797   1.489 -13.793  -5.217
  364    HD3  ARG 797           HD3      ARG 797   2.822 -14.954  -5.115
  365    HE   ARG 797           HE       ARG 797   0.945 -16.299  -6.616
  366   HH11  ARG 797          HH11      ARG 797   2.510 -13.123  -7.063
  367   HH12  ARG 797          HH12      ARG 797   2.373 -13.246  -8.797
  368   HH21  ARG 797          HH21      ARG 797   0.873 -16.390  -8.779
  369   HH22  ARG 797          HH22      ARG 797   1.465 -15.073  -9.770
  370    H    PHE 798           H        PHE 798   2.868 -15.268   0.035
  371    HA   PHE 798           HA       PHE 798   2.763 -17.951   1.356
  372    HB2  PHE 798           HB2      PHE 798   3.959 -15.359   2.381
  373    HB3  PHE 798           HB3      PHE 798   4.226 -16.983   3.005
  374    HD1  PHE 798           HD2      PHE 798   5.388 -18.679   1.378
  375    HD2  PHE 798           HD1      PHE 798   5.405 -14.414   0.756
  376    HE1  PHE 798           HE2      PHE 798   7.325 -18.910  -0.172
  377    HE2  PHE 798           HE1      PHE 798   7.328 -14.646  -0.798
  378    HZ   PHE 798           HZ       PHE 798   8.284 -16.902  -1.251
  379    H    PHE 799           H        PHE 799   1.263 -18.365   2.945
  380    HA   PHE 799           HA       PHE 799  -0.504 -16.127   3.817
  381    HB2  PHE 799           HB2      PHE 799  -1.438 -18.871   2.912
  382    HB3  PHE 799           HB3      PHE 799  -2.446 -17.541   3.479
  383    HD1  PHE 799           HD2      PHE 799  -0.298 -18.770   0.694
  384    HD2  PHE 799           HD1      PHE 799  -3.008 -15.689   2.014
  385    HE1  PHE 799           HE2      PHE 799  -0.400 -17.883  -1.613
  386    HE2  PHE 799           HE1      PHE 799  -3.128 -14.820  -0.309
  387    HZ   PHE 799           HZ       PHE 799  -1.804 -15.890  -2.118
  388    H    LYS 800           H        LYS 800  -1.458 -16.212   5.761
  389    HA   LYS 800           HA       LYS 800  -0.793 -18.457   7.639
  390    HB2  LYS 800           HB2      LYS 800   0.671 -16.445   7.945
  391    HB3  LYS 800           HB3      LYS 800  -0.775 -15.464   8.225
  392    HG2  LYS 800           HG2      LYS 800  -1.305 -16.761  10.239
  393    HG3  LYS 800           HG3      LYS 800   0.037 -17.863   9.918
  394    HD2  LYS 800           HD2      LYS 800   1.629 -15.979  10.191
  395    HD3  LYS 800           HD3      LYS 800   0.269 -14.879  10.509
  396    HE2  LYS 800           HE2      LYS 800  -0.372 -16.279  12.474
  397    HE3  LYS 800           HE3      LYS 800   0.991 -17.356  12.157
  398    HZ1  LYS 800           HZ1      LYS 800   1.208 -14.475  12.840
  399    HZ2  LYS 800           HZ2      LYS 800   2.481 -15.455  12.540
  400    HZ3  LYS 800           HZ3      LYS 800   1.534 -15.714  13.849
  401    H    CYS 801           H        CYS 801  -2.303 -19.070   9.068
  402    HA   CYS 801           HA       CYS 801  -5.091 -18.033   8.822
  403    HB2  CYS 801           HB2      CYS 801  -4.582 -20.443   8.363
  404    HB3  CYS 801           HB3      CYS 801  -3.902 -20.577   9.996
  405    HA   PRO 802           HA       PRO 802  -4.714 -16.056  12.803
  406    HB2  PRO 802           HB2      PRO 802  -7.275 -16.519  13.909
  407    HB3  PRO 802           HB3      PRO 802  -6.783 -15.205  12.795
  408    HG2  PRO 802           HG2      PRO 802  -8.058 -17.870  12.134
  409    HG3  PRO 802           HG3      PRO 802  -8.481 -16.238  11.502
  410    HD2  PRO 802           HD2      PRO 802  -6.970 -17.862  10.022
  411    HD3  PRO 802           HD3      PRO 802  -6.498 -16.162  10.179
  412    H    CYS 803           H        CYS 803  -5.483 -19.529  12.853
  413    HA   CYS 803           HA       CYS 803  -5.017 -19.821  15.707
  414    HB2  CYS 803           HB2      CYS 803  -5.169 -22.173  15.309
  415    HB3  CYS 803           HB3      CYS 803  -6.458 -21.368  14.408
  416    H    GLY 804           H        GLY 804  -2.935 -19.282  13.072
  417    HA2  GLY 804           HA2      GLY 804  -0.614 -18.806  13.418
  418    HA3  GLY 804           HA3      GLY 804  -0.491 -20.156  14.574
  419    H    ASN 805           H        ASN 805  -2.313 -21.475  12.188
  420    HA   ASN 805           HA       ASN 805  -0.161 -22.976  11.043
  421    HB2  ASN 805           HB2      ASN 805  -2.539 -23.737  11.361
  422    HB3  ASN 805           HB3      ASN 805  -3.004 -22.692  10.011
  423   HD21  ASN 805          HD21      ASN 805  -3.807 -24.622   8.913
  424   HD22  ASN 805          HD22      ASN 805  -2.638 -25.673   8.100
  425    H    ARG 806           H        ARG 806   0.495 -23.133   8.819
  426    HA   ARG 806           HA       ARG 806   0.551 -20.555   7.286
  427    HB2  ARG 806           HB2      ARG 806   2.837 -22.265   8.330
  428    HB3  ARG 806           HB3      ARG 806   3.066 -21.179   6.970
  429    HG2  ARG 806           HG2      ARG 806   1.977 -20.221   9.651
  430    HG3  ARG 806           HG3      ARG 806   3.697 -20.332   9.301
  431    HD2  ARG 806           HD2      ARG 806   1.791 -18.700   7.573
  432    HD3  ARG 806           HD3      ARG 806   2.605 -18.054   8.989
  433    HE   ARG 806           HE       ARG 806   4.728 -18.313   7.998
  434   HH11  ARG 806          HH11      ARG 806   2.174 -18.873   5.581
  435   HH12  ARG 806          HH12      ARG 806   3.338 -19.068   4.304
  436   HH21  ARG 806          HH21      ARG 806   6.116 -18.438   6.282
  437   HH22  ARG 806          HH22      ARG 806   5.512 -18.730   4.676
  438    H    THR 807           H        THR 807   0.798 -20.719   5.088
  439    HA   THR 807           HA       THR 807   1.429 -23.241   3.748
  440    HB   THR 807           HB       THR 807  -1.044 -23.317   4.288
  441    HG1  THR 807           HG1      THR 807  -0.741 -23.459   1.541
  442   HG21  THR 807          HG21      THR 807  -2.590 -22.189   2.815
  443   HG22  THR 807          HG22      THR 807  -1.266 -21.337   1.984
  444   HG23  THR 807          HG23      THR 807  -1.631 -20.982   3.683
  445    H    ILE 808           H        ILE 808   1.327 -22.947   1.345
  446    HA   ILE 808           HA       ILE 808   2.062 -20.201   0.429
  447    HB   ILE 808           HB       ILE 808   3.621 -22.692  -0.368
  448   HG12  ILE 808          HG12      ILE 808   4.363 -20.657   1.784
  449   HG13  ILE 808          HG13      ILE 808   4.072 -22.380   2.008
  450   HG21  ILE 808          HG21      ILE 808   3.614 -20.714  -1.944
  451   HG22  ILE 808          HG22      ILE 808   4.361 -19.743  -0.661
  452   HG23  ILE 808          HG23      ILE 808   5.219 -21.133  -1.356
  453   HD11  ILE 808          HD11      ILE 808   6.415 -22.066   2.106
  454   HD12  ILE 808          HD12      ILE 808   6.060 -22.903   0.582
  455   HD13  ILE 808          HD13      ILE 808   6.449 -21.162   0.581
  456    H    SER 809           H        SER 809   1.453 -19.793  -1.747
  457    HA   SER 809           HA       SER 809   0.352 -22.028  -3.357
  458    HB2  SER 809           HB2      SER 809  -1.591 -21.055  -2.086
  459    HB3  SER 809           HB3      SER 809  -1.287 -19.512  -2.909
  460    HG   SER 809           HG       SER 809  -2.896 -20.917  -3.934
  461    H    LEU 810           H        LEU 810   0.039 -21.463  -5.614
  462    HA   LEU 810           HA       LEU 810   1.884 -19.362  -6.642
  463    HB2  LEU 810           HB2      LEU 810   0.237 -21.531  -8.025
  464    HB3  LEU 810           HB3      LEU 810   1.310 -20.395  -8.836
  465    HG   LEU 810           HG       LEU 810   2.195 -22.521  -6.833
  466   HD11  LEU 810          HD11      LEU 810   3.201 -23.623  -8.756
  467   HD12  LEU 810          HD12      LEU 810   2.586 -22.345  -9.840
  468   HD13  LEU 810          HD13      LEU 810   1.459 -23.429  -8.987
  469   HD21  LEU 810          HD21      LEU 810   3.679 -20.539  -6.713
  470   HD22  LEU 810          HD22      LEU 810   3.853 -20.560  -8.479
  471   HD23  LEU 810          HD23      LEU 810   4.494 -21.894  -7.489
  472    H    ASP 811           H        ASP 811  -1.497 -19.931  -6.067
  473    HA   ASP 811           HA       ASP 811  -2.405 -17.693  -7.779
  474    HB2  ASP 811           HB2      ASP 811  -3.856 -19.620  -5.925
  475    HB3  ASP 811           HB3      ASP 811  -4.646 -18.334  -6.831
  476    H    ARG 812           H        ARG 812  -3.839 -16.060  -6.842
  477    HA   ARG 812           HA       ARG 812  -2.605 -14.491  -4.834
  478    HB2  ARG 812           HB2      ARG 812  -4.538 -13.012  -5.089
  479    HB3  ARG 812           HB3      ARG 812  -3.953 -13.563  -6.654
  480    HG2  ARG 812           HG2      ARG 812  -5.799 -15.251  -6.754
  481    HG3  ARG 812           HG3      ARG 812  -6.388 -14.687  -5.184
  482    HD2  ARG 812           HD2      ARG 812  -6.759 -12.419  -6.155
  483    HD3  ARG 812           HD3      ARG 812  -6.138 -13.007  -7.712
  484    HE   ARG 812           HE       ARG 812  -8.241 -14.724  -6.874
  485   HH11  ARG 812          HH11      ARG 812  -7.873 -11.427  -8.100
  486   HH12  ARG 812          HH12      ARG 812  -9.466 -11.411  -8.795
  487   HH21  ARG 812          HH21      ARG 812 -10.302 -14.614  -7.756
  488   HH22  ARG 812          HH22      ARG 812 -10.820 -13.174  -8.588
  489    H    LEU 813           H        LEU 813  -4.643 -17.156  -4.330
  490    HA   LEU 813           HA       LEU 813  -4.560 -16.939  -1.463
  491    HB2  LEU 813           HB2      LEU 813  -6.603 -15.482  -2.224
  492    HB3  LEU 813           HB3      LEU 813  -7.326 -16.994  -2.743
  493    HG   LEU 813           HG       LEU 813  -7.127 -17.796  -0.327
  494   HD11  LEU 813          HD11      LEU 813  -5.373 -16.201   0.456
  495   HD12  LEU 813          HD12      LEU 813  -6.849 -16.053   1.420
  496   HD13  LEU 813          HD13      LEU 813  -6.479 -14.849   0.166
  497   HD21  LEU 813          HD21      LEU 813  -9.073 -16.472   0.429
  498   HD22  LEU 813          HD22      LEU 813  -9.247 -16.923  -1.271
  499   HD23  LEU 813          HD23      LEU 813  -8.772 -15.273  -0.838
  500    HA   PRO 814           HA       PRO 814  -4.866 -21.396  -2.444
  501    HB2  PRO 814           HB2      PRO 814  -5.017 -22.471   0.063
  502    HB3  PRO 814           HB3      PRO 814  -3.517 -21.732  -0.567
  503    HG2  PRO 814           HG2      PRO 814  -5.632 -20.412   1.150
  504    HG3  PRO 814           HG3      PRO 814  -3.866 -20.490   1.456
  505    HD2  PRO 814           HD2      PRO 814  -4.979 -18.339   0.286
  506    HD3  PRO 814           HD3      PRO 814  -3.411 -18.951  -0.293
  507    H    LYS 815           H        LYS 815  -6.468 -23.234  -1.806
  508    HA   LYS 815           HA       LYS 815  -9.193 -22.251  -1.116
  509    HB2  LYS 815           HB2      LYS 815 -10.147 -23.248  -3.147
  510    HB3  LYS 815           HB3      LYS 815  -9.004 -21.964  -3.477
  511    HG2  LYS 815           HG2      LYS 815  -8.664 -23.598  -5.124
  512    HG3  LYS 815           HG3      LYS 815  -7.262 -23.634  -4.069
  513    HD2  LYS 815           HD2      LYS 815  -7.922 -25.879  -4.797
  514    HD3  LYS 815           HD3      LYS 815  -8.088 -25.743  -3.053
  515    HE2  LYS 815           HE2      LYS 815 -10.548 -25.376  -3.323
  516    HE3  LYS 815           HE3      LYS 815 -10.368 -25.440  -5.076
  517    HZ1  LYS 815           HZ1      LYS 815 -11.098 -27.564  -4.194
  518    HZ2  LYS 815           HZ2      LYS 815  -9.796 -27.676  -3.210
  519    HZ3  LYS 815           HZ3      LYS 815  -9.603 -27.747  -4.834
  520    H    LYS 816           H        LYS 816  -6.989 -24.376  -0.215
  521    HA   LYS 816           HA       LYS 816  -8.713 -26.788  -0.130
  522    HB2  LYS 816           HB2      LYS 816  -6.580 -27.996   0.272
  523    HB3  LYS 816           HB3      LYS 816  -6.695 -27.140  -1.247
  524    HG2  LYS 816           HG2      LYS 816  -4.479 -26.934  -0.423
  525    HG3  LYS 816           HG3      LYS 816  -5.213 -25.337  -0.383
  526    HD2  LYS 816           HD2      LYS 816  -5.491 -25.452   2.036
  527    HD3  LYS 816           HD3      LYS 816  -4.944 -27.156   2.050
  528    HE2  LYS 816           HE2      LYS 816  -2.752 -26.377   1.084
  529    HE3  LYS 816           HE3      LYS 816  -3.329 -24.713   1.197
  530    HZ1  LYS 816           HZ1      LYS 816  -2.937 -26.558   3.485
  531    HZ2  LYS 816           HZ2      LYS 816  -3.524 -25.038   3.605
  532    HZ3  LYS 816           HZ3      LYS 816  -1.978 -25.280   3.093
  533    H    HIS 817           H        HIS 817  -8.581 -24.402   1.914
  534    HA   HIS 817           HA       HIS 817  -9.285 -24.103   4.061
  535    HB2  HIS 817           HB2      HIS 817  -9.495 -27.105   4.427
  536    HB3  HIS 817           HB3      HIS 817 -10.291 -25.846   5.349
  537    HD1  HIS 817           HD1      HIS 817 -10.843 -27.978   2.327
  538    HD2  HIS 817           HD2      HIS 817 -12.267 -24.397   3.998
  539    HE1  HIS 817           HE1      HIS 817 -13.031 -27.450   1.129
  540    H    CYS 818           H        CYS 818  -8.701 -24.555   6.437
  541    HA   CYS 818           HA       CYS 818  -5.827 -24.636   6.783
  542    HB2  CYS 818           HB2      CYS 818  -7.276 -23.151   8.033
  543    HB3  CYS 818           HB3      CYS 818  -8.129 -24.523   8.750
  544    H    SER 819           H        SER 819  -4.578 -26.298   7.283
  545    HA   SER 819           HA       SER 819  -5.468 -29.023   7.495
  546    HB2  SER 819           HB2      SER 819  -2.767 -27.921   8.354
  547    HB3  SER 819           HB3      SER 819  -3.151 -29.549   7.782
  548    HG   SER 819           HG       SER 819  -2.166 -28.383   6.118
  549    H    THR 820           H        THR 820  -5.239 -26.519   9.884
  550    HA   THR 820           HA       THR 820  -4.763 -28.448  12.132
  551    HB   THR 820           HB       THR 820  -4.331 -25.444  11.912
  552    HG1  THR 820           HG1      THR 820  -2.118 -26.224  12.056
  553   HG21  THR 820          HG21      THR 820  -3.033 -25.731  14.029
  554   HG22  THR 820          HG22      THR 820  -3.643 -27.399  14.155
  555   HG23  THR 820          HG23      THR 820  -4.764 -26.017  14.255
  556    H    CYS 821           H        CYS 821  -6.967 -25.750  11.193
  557    HA   CYS 821           HA       CYS 821  -8.820 -26.717  13.338
  558    HB2  CYS 821           HB2      CYS 821  -9.487 -24.532  13.827
  559    HB3  CYS 821           HB3      CYS 821  -7.734 -24.609  13.963
  560    H    GLY 822           H        GLY 822  -8.585 -26.132   9.981
  561    HA2  GLY 822           HA2      GLY 822  -9.951 -27.277   8.481
  562    HA3  GLY 822           HA3      GLY 822 -11.202 -27.443   9.731
  563    H    LEU 823           H        LEU 823 -10.696 -24.238   9.805
  564    HA   LEU 823           HA       LEU 823 -12.902 -23.629   7.946
  565    HB2  LEU 823           HB2      LEU 823 -12.854 -21.383   9.020
  566    HB3  LEU 823           HB3      LEU 823 -13.137 -22.738  10.091
  567    HG   LEU 823           HG       LEU 823 -10.937 -22.589  11.036
  568   HD11  LEU 823          HD11      LEU 823  -9.410 -20.645  10.464
  569   HD12  LEU 823          HD12      LEU 823 -10.415 -20.339   9.039
  570   HD13  LEU 823          HD13      LEU 823  -9.524 -21.869   9.186
  571   HD21  LEU 823          HD21      LEU 823 -11.145 -20.364  12.108
  572   HD22  LEU 823          HD22      LEU 823 -12.718 -21.185  11.965
  573   HD23  LEU 823          HD23      LEU 823 -12.289 -19.865  10.851
  574    H    PHE 824           H        PHE 824 -12.361 -21.057   7.169
  575    HA   PHE 824           HA       PHE 824  -9.924 -21.150   5.458
  576    HB2  PHE 824           HB2      PHE 824 -11.836 -22.156   4.223
  577    HB3  PHE 824           HB3      PHE 824 -12.757 -20.678   4.449
  578    HD1  PHE 824           HD1      PHE 824  -9.565 -22.009   3.008
  579    HD2  PHE 824           HD2      PHE 824 -12.577 -18.918   2.854
  580    HE1  PHE 824           HE1      PHE 824  -8.541 -21.110   0.944
  581    HE2  PHE 824           HE2      PHE 824 -11.552 -18.026   0.775
  582    HZ   PHE 824           HZ       PHE 824  -9.533 -19.125  -0.184
  583    H    LYS 825           H        LYS 825  -9.031 -19.598   6.773
  584    HA   LYS 825           HA       LYS 825 -10.076 -16.814   6.483
  585    HB2  LYS 825           HB2      LYS 825  -9.244 -18.165   9.077
  586    HB3  LYS 825           HB3      LYS 825  -9.396 -16.418   8.861
  587    HG2  LYS 825           HG2      LYS 825 -11.794 -16.795   8.079
  588    HG3  LYS 825           HG3      LYS 825 -11.642 -18.464   8.641
  589    HD2  LYS 825           HD2      LYS 825 -10.994 -17.644  10.888
  590    HD3  LYS 825           HD3      LYS 825 -11.139 -15.971  10.301
  591    HE2  LYS 825           HE2      LYS 825 -13.551 -16.361   9.782
  592    HE3  LYS 825           HE3      LYS 825 -13.408 -18.018  10.383
  593    HZ1  LYS 825           HZ1      LYS 825 -14.325 -16.550  12.066
  594    HZ2  LYS 825           HZ2      LYS 825 -13.015 -15.576  12.013
  595    HZ3  LYS 825           HZ3      LYS 825 -12.872 -17.102  12.574
  596    H    TRP 826           H        TRP 826  -7.952 -18.299   5.117
  597    HA   TRP 826           HA       TRP 826  -5.340 -17.594   5.906
  598    HB2  TRP 826           HB2      TRP 826  -6.527 -17.998   3.154
  599    HB3  TRP 826           HB3      TRP 826  -4.803 -17.835   3.471
  600    HD1  TRP 826           HD1      TRP 826  -7.320 -20.391   3.045
  601    HE1  TRP 826           HE1      TRP 826  -6.492 -22.698   3.823
  602    HE3  TRP 826           HE3      TRP 826  -3.164 -18.934   5.640
  603    HZ2  TRP 826           HZ2      TRP 826  -4.331 -23.764   5.403
  604    HZ3  TRP 826           HZ3      TRP 826  -1.751 -20.602   6.796
  605    HH2  TRP 826           HH2      TRP 826  -2.330 -23.017   6.696
  606    H    GLU 827           H        GLU 827  -4.181 -15.815   5.943
  607    HA   GLU 827           HA       GLU 827  -4.978 -13.341   4.443
  608    HB2  GLU 827           HB2      GLU 827  -5.265 -13.165   6.872
  609    HB3  GLU 827           HB3      GLU 827  -3.608 -13.704   7.149
  610    HG2  GLU 827           HG2      GLU 827  -2.712 -11.694   6.086
  611    HG3  GLU 827           HG3      GLU 827  -4.316 -11.194   5.564
  612    H    ARG 828           H        ARG 828  -3.434 -12.569   3.041
  613    HA   ARG 828           HA       ARG 828  -1.030 -14.069   2.566
  614    HB2  ARG 828           HB2      ARG 828  -2.257 -12.854   0.802
  615    HB3  ARG 828           HB3      ARG 828  -1.784 -11.316   1.526
  616    HG2  ARG 828           HG2      ARG 828   0.594 -11.858   1.158
  617    HG3  ARG 828           HG3      ARG 828   0.169 -13.459   0.527
  618    HD2  ARG 828           HD2      ARG 828  -0.932 -12.479  -1.398
  619    HD3  ARG 828           HD3      ARG 828  -0.704 -10.836  -0.738
  620    HE   ARG 828           HE       ARG 828   1.853 -11.846  -0.825
  621   HH11  ARG 828          HH11      ARG 828  -0.607 -11.404  -3.340
  622   HH12  ARG 828          HH12      ARG 828   0.597 -11.292  -4.598
  623   HH21  ARG 828          HH21      ARG 828   3.307 -11.755  -2.492
  624   HH22  ARG 828          HH22      ARG 828   2.748 -11.581  -4.147
  625    H    VAL 829           H        VAL 829   0.897 -13.889   3.412
  626    HA   VAL 829           HA       VAL 829   1.624 -11.575   5.186
  627    HB   VAL 829           HB       VAL 829   3.161 -13.091   6.403
  628   HG11  VAL 829          HG11      VAL 829   0.246 -13.960   6.502
  629   HG12  VAL 829          HG12      VAL 829   1.455 -14.120   7.794
  630   HG13  VAL 829          HG13      VAL 829   0.926 -12.515   7.278
  631   HG21  VAL 829          HG21      VAL 829   2.958 -15.505   6.286
  632   HG22  VAL 829          HG22      VAL 829   1.737 -15.394   5.005
  633   HG23  VAL 829          HG23      VAL 829   3.418 -14.894   4.693
  634    H    GLY 830           H        GLY 830   4.105 -11.393   5.419
  635    HA2  GLY 830           HA2      GLY 830   5.003 -10.569   2.827
  636    HA3  GLY 830           HA3      GLY 830   5.855 -10.363   4.354
  637    H    MET 831           H        MET 831   7.449 -10.720   2.456
  638    HA   MET 831           HA       MET 831   8.046 -13.370   1.524
  639    HB2  MET 831           HB2      MET 831   8.678 -11.246   0.411
  640    HB3  MET 831           HB3      MET 831   9.799 -10.882   1.738
  641    HG2  MET 831           HG2      MET 831  11.126 -12.897   1.169
  642    HG3  MET 831           HG3      MET 831   9.958 -13.309  -0.107
  643    HE1  MET 831           HE1      MET 831  13.099 -13.169  -0.439
  644    HE2  MET 831           HE2      MET 831  12.008 -13.593  -1.769
  645    HE3  MET 831           HE3      MET 831  13.246 -12.351  -2.007
  646    H    LEU 832           H        LEU 832   9.513 -14.876   2.168
  647    HA   LEU 832           HA       LEU 832  10.155 -15.037   4.995
  648    HB2  LEU 832           HB2      LEU 832  10.604 -16.819   2.572
  649    HB3  LEU 832           HB3      LEU 832  11.281 -17.217   4.137
  650    HG   LEU 832           HG       LEU 832   9.091 -17.385   5.163
  651   HD11  LEU 832          HD11      LEU 832   7.703 -15.784   4.001
  652   HD12  LEU 832          HD12      LEU 832   7.018 -17.382   3.714
  653   HD13  LEU 832          HD13      LEU 832   7.974 -16.601   2.445
  654   HD21  LEU 832          HD21      LEU 832   8.306 -19.399   3.956
  655   HD22  LEU 832          HD22      LEU 832  10.080 -19.355   4.027
  656   HD23  LEU 832          HD23      LEU 832   9.244 -18.922   2.528
  657    H    LYS 833           H        LYS 833  12.096 -14.899   6.015
  658    HA   LYS 833           HA       LYS 833  14.260 -13.462   4.656
  659    HB2  LYS 833           HB2      LYS 833  13.820 -14.394   7.530
  660    HB3  LYS 833           HB3      LYS 833  15.222 -13.460   7.004
  661    HG2  LYS 833           HG2      LYS 833  13.839 -11.550   6.393
  662    HG3  LYS 833           HG3      LYS 833  12.348 -12.474   6.658
  663    HD2  LYS 833           HD2      LYS 833  12.805 -10.937   8.522
  664    HD3  LYS 833           HD3      LYS 833  12.763 -12.630   9.039
  665    HE2  LYS 833           HE2      LYS 833  15.225 -12.716   9.044
  666    HE3  LYS 833           HE3      LYS 833  15.305 -11.051   8.465
  667    HZ1  LYS 833           HZ1      LYS 833  15.592 -11.166  10.873
  668    HZ2  LYS 833           HZ2      LYS 833  14.140 -11.885  11.063
  669    HZ3  LYS 833           HZ3      LYS 833  14.224 -10.343  10.523
  670    H    GLU 834           H        GLU 834  13.678 -16.645   5.448
  671    HA   GLU 834           HA       GLU 834  16.420 -17.661   5.618
  672    HB2  GLU 834           HB2      GLU 834  13.770 -19.109   5.215
  673    HB3  GLU 834           HB3      GLU 834  15.344 -19.892   5.443
  674    HG2  GLU 834           HG2      GLU 834  15.580 -18.732   7.649
  675    HG3  GLU 834           HG3      GLU 834  13.958 -18.061   7.445
  676    H    LYS 835           H        LYS 835  17.627 -18.742   4.098
  677    HA   LYS 835           HA       LYS 835  17.097 -17.931   1.320
  678    HB2  LYS 835           HB2      LYS 835  19.565 -19.246   2.509
  679    HB3  LYS 835           HB3      LYS 835  19.446 -18.428   0.954
  680    HG2  LYS 835           HG2      LYS 835  19.305 -17.150   3.712
  681    HG3  LYS 835           HG3      LYS 835  20.602 -17.004   2.529
  682    HD2  LYS 835           HD2      LYS 835  19.072 -15.818   0.974
  683    HD3  LYS 835           HD3      LYS 835  17.773 -15.907   2.181
  684    HE2  LYS 835           HE2      LYS 835  20.452 -14.485   2.574
  685    HE3  LYS 835           HE3      LYS 835  18.928 -13.702   2.140
  686    HZ1  LYS 835           HZ1      LYS 835  19.440 -15.128   4.685
  687    HZ2  LYS 835           HZ2      LYS 835  17.993 -14.521   4.253
  688    HZ3  LYS 835           HZ3      LYS 835  19.260 -13.513   4.488
  689    H    THR 836           H        THR 836  17.501 -19.318  -0.508
  690    HA   THR 836           HA       THR 836  16.024 -21.825  -0.341
  691    HB   THR 836           HB       THR 836  16.458 -21.876  -2.812
  692    HG1  THR 836           HG1      THR 836  17.407 -19.992  -3.685
  693   HG21  THR 836          HG21      THR 836  15.361 -19.221  -1.783
  694   HG22  THR 836          HG22      THR 836  14.452 -20.746  -1.834
  695   HG23  THR 836          HG23      THR 836  15.006 -19.994  -3.338
  696    H    GLY 837           H        GLY 837  19.444 -21.014  -0.552
  697    HA2  GLY 837           HA2      GLY 837  20.269 -23.673   0.187
  698    HA3  GLY 837           HA3      GLY 837  20.542 -23.414  -1.524
  699    HA   PRO 838           HA       PRO 838  24.071 -21.648   1.085
  700    HB2  PRO 838           HB2      PRO 838  26.050 -23.473   0.659
  701    HB3  PRO 838           HB3      PRO 838  24.788 -23.704   1.910
  702    HG2  PRO 838           HG2      PRO 838  24.845 -24.861  -0.892
  703    HG3  PRO 838           HG3      PRO 838  24.504 -25.713   0.644
  704    HD2  PRO 838           HD2      PRO 838  22.511 -24.802  -0.982
  705    HD3  PRO 838           HD3      PRO 838  22.344 -24.788   0.797
  706    H    LYS 839           H        LYS 839  25.656 -20.362   0.289
  707    HA   LYS 839           HA       LYS 839  26.964 -20.555  -2.252
  708    HB2  LYS 839           HB2      LYS 839  25.944 -18.688  -3.422
  709    HB3  LYS 839           HB3      LYS 839  24.734 -19.923  -3.122
  710    HG2  LYS 839           HG2      LYS 839  23.869 -18.588  -1.183
  711    HG3  LYS 839           HG3      LYS 839  25.109 -17.356  -1.505
  712    HD2  LYS 839           HD2      LYS 839  24.135 -17.081  -3.833
  713    HD3  LYS 839           HD3      LYS 839  22.871 -18.231  -3.379
  714    HE2  LYS 839           HE2      LYS 839  21.934 -16.051  -3.121
  715    HE3  LYS 839           HE3      LYS 839  22.199 -16.716  -1.501
  716    HZ1  LYS 839           HZ1      LYS 839  22.929 -14.401  -1.678
  717    HZ2  LYS 839           HZ2      LYS 839  23.972 -14.770  -2.878
  718    HZ3  LYS 839           HZ3      LYS 839  24.228 -15.358  -1.377
  719    H    LEU 840           H        LEU 840  28.155 -18.445  -2.768
  720    HA   LEU 840           HA       LEU 840  29.450 -17.399  -0.344
  721    HB2  LEU 840           HB2      LEU 840  29.825 -16.725  -3.301
  722    HB3  LEU 840           HB3      LEU 840  30.836 -16.124  -1.985
  723    HG   LEU 840           HG       LEU 840  30.568 -19.043  -2.833
  724   HD11  LEU 840          HD11      LEU 840  31.783 -17.637  -4.457
  725   HD12  LEU 840          HD12      LEU 840  32.875 -18.764  -3.648
  726   HD13  LEU 840          HD13      LEU 840  32.861 -17.051  -3.165
  727   HD21  LEU 840          HD21      LEU 840  31.049 -18.935  -0.428
  728   HD22  LEU 840          HD22      LEU 840  32.352 -17.755  -0.721
  729   HD23  LEU 840          HD23      LEU 840  32.502 -19.429  -1.302
  730    H    GLY 841           H        GLY 841  29.440 -15.317   0.397
  731    HA2  GLY 841           HA2      GLY 841  26.987 -13.732  -0.127
  732    HA3  GLY 841           HA3      GLY 841  28.146 -13.540   1.204
  733    H    GLY 842           H        GLY 842  30.313 -13.594  -1.053
  734    HA2  GLY 842           HA2      GLY 842  30.123 -11.296  -2.699
  735    HA3  GLY 842           HA3      GLY 842  30.788 -10.774  -1.154
  Start of MODEL   19
    1    H1   GLY  -4           H1       GLY  -4  11.755   7.700  -0.466
    2    H2   GLY  -4           H2       GLY  -4  11.024   7.306   0.944
    3    H3   GLY  -4           H3       GLY  -4  10.224   7.105  -0.474
    4    HA2  GLY  -4           HA2      GLY  -4  12.628   5.612   0.365
    5    HA3  GLY  -4           HA3      GLY  -4  10.974   4.977   0.367
    6    HA   PRO  -3           HA       PRO  -3  13.065   4.208  -3.808
    7    HB2  PRO  -3           HB2      PRO  -3  13.616   1.545  -3.652
    8    HB3  PRO  -3           HB3      PRO  -3  14.682   2.777  -2.928
    9    HG2  PRO  -3           HG2      PRO  -3  12.516   1.161  -1.549
   10    HG3  PRO  -3           HG3      PRO  -3  14.222   1.378  -1.033
   11    HD2  PRO  -3           HD2      PRO  -3  12.195   2.902  -0.030
   12    HD3  PRO  -3           HD3      PRO  -3  13.829   3.580  -0.324
   13    H    MET  -2           H        MET  -2  12.290   2.660  -5.534
   14    HA   MET  -2           HA       MET  -2   9.394   2.579  -5.631
   15    HB2  MET  -2           HB2      MET  -2  11.548   1.511  -7.498
   16    HB3  MET  -2           HB3      MET  -2   9.820   1.479  -7.862
   17    HG2  MET  -2           HG2      MET  -2   9.717   3.939  -7.703
   18    HG3  MET  -2           HG3      MET  -2  11.427   4.002  -7.283
   19    HE1  MET  -2           HE1      MET  -2   9.692   2.916 -11.448
   20    HE2  MET  -2           HE2      MET  -2   9.533   1.795 -10.091
   21    HE3  MET  -2           HE3      MET  -2   8.741   3.391 -10.026
   22    H    GLY  -1           H        GLY  -1  11.570   0.347  -4.277
   23    HA2  GLY  -1           HA2      GLY  -1  11.130  -1.687  -3.228
   24    HA3  GLY  -1           HA3      GLY  -1   9.501  -1.695  -3.918
   25    H    MET 755           H        MET 755  11.916  -1.238  -6.309
   26    HA   MET 755           HA       MET 755  11.325  -3.783  -7.567
   27    HB2  MET 755           HB2      MET 755  13.307  -1.590  -8.292
   28    HB3  MET 755           HB3      MET 755  12.864  -2.948  -9.332
   29    HG2  MET 755           HG2      MET 755  10.950  -0.784  -8.359
   30    HG3  MET 755           HG3      MET 755  11.707  -0.881  -9.937
   31    HE1  MET 755           HE1      MET 755   9.270  -2.887  -7.472
   32    HE2  MET 755           HE2      MET 755   8.546  -1.395  -8.107
   33    HE3  MET 755           HE3      MET 755   7.898  -2.968  -8.585
   34    H    GLN 756           H        GLN 756  13.821  -2.849  -5.354
   35    HA   GLN 756           HA       GLN 756  15.848  -4.736  -6.221
   36    HB2  GLN 756           HB2      GLN 756  16.231  -2.644  -4.869
   37    HB3  GLN 756           HB3      GLN 756  15.415  -3.419  -3.505
   38    HG2  GLN 756           HG2      GLN 756  17.202  -5.267  -3.642
   39    HG3  GLN 756           HG3      GLN 756  18.041  -4.239  -4.814
   40   HE21  GLN 756          HE21      GLN 756  16.893  -4.468  -1.426
   41   HE22  GLN 756          HE22      GLN 756  18.003  -3.242  -0.817
   42    H    SER 757           H        SER 757  13.271  -4.857  -3.703
   43    HA   SER 757           HA       SER 757  13.688  -7.795  -3.356
   44    HB2  SER 757           HB2      SER 757  13.592  -5.769  -1.085
   45    HB3  SER 757           HB3      SER 757  13.656  -7.527  -0.934
   46    HG   SER 757           HG       SER 757  15.732  -6.744  -0.648
   47    H    ILE 758           H        ILE 758  11.788  -8.875  -3.281
   48    HA   ILE 758           HA       ILE 758   9.296  -7.463  -2.438
   49    HB   ILE 758           HB       ILE 758   9.371  -9.408  -4.780
   50   HG12  ILE 758          HG12      ILE 758   8.654  -7.196  -6.081
   51   HG13  ILE 758          HG13      ILE 758   9.560  -6.376  -4.823
   52   HG21  ILE 758          HG21      ILE 758   7.231  -7.509  -3.720
   53   HG22  ILE 758          HG22      ILE 758   7.089  -8.524  -5.176
   54   HG23  ILE 758          HG23      ILE 758   7.230  -9.285  -3.604
   55   HD11  ILE 758          HD11      ILE 758  10.634  -8.502  -6.739
   56   HD12  ILE 758          HD12      ILE 758  10.876  -6.750  -6.883
   57   HD13  ILE 758          HD13      ILE 758  11.621  -7.625  -5.547
   58    H    ARG 759           H        ARG 759   7.914  -8.679  -1.239
   59    HA   ARG 759           HA       ARG 759   9.017 -11.009   0.079
   60    HB2  ARG 759           HB2      ARG 759   7.366 -10.647   1.718
   61    HB3  ARG 759           HB3      ARG 759   7.942  -9.073   1.205
   62    HG2  ARG 759           HG2      ARG 759   5.875  -9.149  -0.464
   63    HG3  ARG 759           HG3      ARG 759   5.247 -10.353   0.656
   64    HD2  ARG 759           HD2      ARG 759   6.118  -7.522   1.385
   65    HD3  ARG 759           HD3      ARG 759   4.463  -7.988   1.045
   66    HE   ARG 759           HE       ARG 759   6.063  -8.630   3.449
   67   HH11  ARG 759          HH11      ARG 759   2.950  -9.110   1.820
   68   HH12  ARG 759          HH12      ARG 759   2.122  -9.415   3.314
   69   HH21  ARG 759          HH21      ARG 759   4.939  -9.090   5.321
   70   HH22  ARG 759          HH22      ARG 759   3.241  -9.430   5.264
   71    H    GLU 760           H        GLU 760   7.931 -11.218  -2.738
   72    HA   GLU 760           HA       GLU 760   6.922 -13.934  -2.487
   73    HB2  GLU 760           HB2      GLU 760   5.274 -13.546  -4.362
   74    HB3  GLU 760           HB3      GLU 760   4.776 -13.031  -2.767
   75    HG2  GLU 760           HG2      GLU 760   5.158 -10.685  -3.353
   76    HG3  GLU 760           HG3      GLU 760   5.923 -11.152  -4.885
   77    H    GLN 761           H        GLN 761   7.492 -15.154  -4.420
   78    HA   GLN 761           HA       GLN 761   9.711 -13.901  -5.953
   79    HB2  GLN 761           HB2      GLN 761  11.360 -15.373  -4.869
   80    HB3  GLN 761           HB3      GLN 761  10.585 -14.303  -3.707
   81    HG2  GLN 761           HG2      GLN 761   9.065 -16.215  -3.042
   82    HG3  GLN 761           HG3      GLN 761   9.970 -17.264  -4.139
   83   HE21  GLN 761          HE21      GLN 761  10.283 -15.255  -1.135
   84   HE22  GLN 761          HE22      GLN 761  11.679 -16.158  -0.565
   85    H    SER 762           H        SER 762  10.647 -15.111  -7.596
   86    HA   SER 762           HA       SER 762   8.908 -17.054  -8.859
   87    HB2  SER 762           HB2      SER 762  11.702 -16.166  -9.670
   88    HB3  SER 762           HB3      SER 762  10.496 -16.961 -10.681
   89    HG   SER 762           HG       SER 762  10.579 -14.669 -10.997
   90    H    CYS 763           H        CYS 763   9.068 -19.194  -9.005
   91    HA   CYS 763           HA       CYS 763  11.589 -20.666  -8.452
   92    HB2  CYS 763           HB2      CYS 763   8.941 -21.034  -6.994
   93    HB3  CYS 763           HB3      CYS 763  10.071 -22.384  -7.164
   94    HG   CYS 763           HG       CYS 763  11.050 -19.406  -6.141
   95    H    ARG 764           H        ARG 764  11.378 -22.984  -9.217
   96    HA   ARG 764           HA       ARG 764   9.803 -23.146 -11.674
   97    HB2  ARG 764           HB2      ARG 764  12.119 -24.254 -11.230
   98    HB3  ARG 764           HB3      ARG 764  11.149 -25.570 -10.538
   99    HG2  ARG 764           HG2      ARG 764   9.840 -25.635 -12.706
  100    HG3  ARG 764           HG3      ARG 764  10.882 -24.347 -13.337
  101    HD2  ARG 764           HD2      ARG 764  12.845 -25.881 -13.008
  102    HD3  ARG 764           HD3      ARG 764  11.684 -27.149 -12.545
  103    HE   ARG 764           HE       ARG 764  11.154 -25.858 -15.119
  104   HH11  ARG 764          HH11      ARG 764  12.875 -28.551 -13.606
  105   HH12  ARG 764          HH12      ARG 764  12.973 -29.440 -15.097
  106   HH21  ARG 764          HH21      ARG 764  11.301 -27.073 -17.009
  107   HH22  ARG 764          HH22      ARG 764  12.087 -28.622 -16.979
  108    H    VAL 765           H        VAL 765   8.014 -24.287 -12.017
  109    HA   VAL 765           HA       VAL 765   6.410 -25.449  -9.790
  110    HB   VAL 765           HB       VAL 765   4.459 -24.128 -10.592
  111   HG11  VAL 765          HG11      VAL 765   5.103 -21.966  -9.608
  112   HG12  VAL 765          HG12      VAL 765   5.666 -23.338  -8.625
  113   HG13  VAL 765          HG13      VAL 765   6.796 -22.428  -9.656
  114   HG21  VAL 765          HG21      VAL 765   5.300 -23.638 -12.887
  115   HG22  VAL 765          HG22      VAL 765   4.677 -22.221 -12.033
  116   HG23  VAL 765          HG23      VAL 765   6.431 -22.470 -12.184
  117    H    VAL 766           H        VAL 766   4.352 -26.414 -10.706
  118    HA   VAL 766           HA       VAL 766   4.878 -27.809 -13.310
  119    HB   VAL 766           HB       VAL 766   5.828 -29.139 -11.489
  120   HG11  VAL 766          HG11      VAL 766   4.401 -28.509  -9.603
  121   HG12  VAL 766          HG12      VAL 766   3.013 -29.340 -10.337
  122   HG13  VAL 766          HG13      VAL 766   4.424 -30.251  -9.836
  123   HG21  VAL 766          HG21      VAL 766   4.803 -31.280 -11.996
  124   HG22  VAL 766          HG22      VAL 766   3.336 -30.491 -12.593
  125   HG23  VAL 766          HG23      VAL 766   4.884 -30.293 -13.469
  126    H    THR 767           H        THR 767   3.136 -28.377 -14.491
  127    HA   THR 767           HA       THR 767   0.374 -28.034 -13.350
  128    HB   THR 767           HB       THR 767   1.274 -27.855 -16.257
  129    HG1  THR 767           HG1      THR 767   1.780 -26.011 -15.049
  130   HG21  THR 767          HG21      THR 767  -1.043 -27.135 -16.703
  131   HG22  THR 767          HG22      THR 767  -1.473 -27.388 -14.994
  132   HG23  THR 767          HG23      THR 767  -1.047 -28.767 -16.018
  133    H    CYS 768           H        CYS 768  -0.484 -29.974 -12.873
  134    HA   CYS 768           HA       CYS 768   0.306 -32.440 -14.283
  135    HB2  CYS 768           HB2      CYS 768  -0.215 -32.520 -11.847
  136    HB3  CYS 768           HB3      CYS 768  -1.855 -31.969 -12.189
  137    H    LYS 769           H        LYS 769  -0.564 -32.965 -16.174
  138    HA   LYS 769           HA       LYS 769  -2.850 -31.487 -17.317
  139    HB2  LYS 769           HB2      LYS 769  -1.146 -33.769 -18.418
  140    HB3  LYS 769           HB3      LYS 769  -2.346 -32.852 -19.326
  141    HG2  LYS 769           HG2      LYS 769   0.247 -31.740 -18.155
  142    HG3  LYS 769           HG3      LYS 769  -0.087 -32.116 -19.846
  143    HD2  LYS 769           HD2      LYS 769  -1.960 -30.376 -19.778
  144    HD3  LYS 769           HD3      LYS 769  -1.427 -29.967 -18.144
  145    HE2  LYS 769           HE2      LYS 769  -0.453 -28.359 -19.603
  146    HE3  LYS 769           HE3      LYS 769   0.842 -29.415 -19.043
  147    HZ1  LYS 769           HZ1      LYS 769  -0.511 -29.636 -21.676
  148    HZ2  LYS 769           HZ2      LYS 769   0.754 -30.561 -21.186
  149    HZ3  LYS 769           HZ3      LYS 769   0.955 -28.964 -21.437
  150    H    THR 770           H        THR 770  -2.398 -34.465 -15.598
  151    HA   THR 770           HA       THR 770  -4.829 -35.772 -16.572
  152    HB   THR 770           HB       THR 770  -3.145 -36.393 -14.123
  153    HG1  THR 770           HG1      THR 770  -3.045 -37.423 -16.772
  154   HG21  THR 770          HG21      THR 770  -5.298 -37.554 -14.032
  155   HG22  THR 770          HG22      THR 770  -4.035 -38.709 -14.482
  156   HG23  THR 770          HG23      THR 770  -5.135 -38.066 -15.724
  157    H    CYS 771           H        CYS 771  -3.979 -33.920 -13.573
  158    HA   CYS 771           HA       CYS 771  -6.813 -33.995 -12.719
  159    HB2  CYS 771           HB2      CYS 771  -4.299 -32.975 -11.355
  160    HB3  CYS 771           HB3      CYS 771  -5.880 -33.114 -10.609
  161    H    LYS 772           H        LYS 772  -4.594 -31.806 -14.200
  162    HA   LYS 772           HA       LYS 772  -4.779 -29.755 -15.089
  163    HB2  LYS 772           HB2      LYS 772  -7.732 -29.840 -14.378
  164    HB3  LYS 772           HB3      LYS 772  -6.932 -28.636 -15.369
  165    HG2  LYS 772           HG2      LYS 772  -7.840 -29.995 -16.962
  166    HG3  LYS 772           HG3      LYS 772  -6.170 -30.560 -16.901
  167    HD2  LYS 772           HD2      LYS 772  -6.893 -32.509 -15.555
  168    HD3  LYS 772           HD3      LYS 772  -8.554 -31.907 -15.531
  169    HE2  LYS 772           HE2      LYS 772  -8.625 -32.125 -18.012
  170    HE3  LYS 772           HE3      LYS 772  -6.944 -32.686 -18.012
  171    HZ1  LYS 772           HZ1      LYS 772  -9.240 -34.074 -16.752
  172    HZ2  LYS 772           HZ2      LYS 772  -7.683 -34.559 -16.590
  173    HZ3  LYS 772           HZ3      LYS 772  -8.409 -34.573 -18.066
  174    H    TYR 773           H        TYR 773  -4.045 -30.129 -12.238
  175    HA   TYR 773           HA       TYR 773  -4.651 -27.434 -11.106
  176    HB2  TYR 773           HB2      TYR 773  -3.576 -28.126  -9.102
  177    HB3  TYR 773           HB3      TYR 773  -4.797 -29.283  -9.530
  178    HD1  TYR 773           HD2      TYR 773  -1.078 -28.712  -9.716
  179    HD2  TYR 773           HD1      TYR 773  -4.264 -31.593  -9.490
  180    HE1  TYR 773           HE2      TYR 773   0.579 -30.508  -9.250
  181    HE2  TYR 773           HE1      TYR 773  -2.645 -33.346  -8.881
  182    HH   TYR 773           HH       TYR 773  -0.394 -33.915  -8.696
  183    H    THR 774           H        THR 774  -2.855 -26.191 -10.216
  184    HA   THR 774           HA       THR 774  -0.214 -26.520 -11.577
  185    HB   THR 774           HB       THR 774  -1.322 -23.806 -10.836
  186    HG1  THR 774           HG1      THR 774  -1.838 -23.574 -13.032
  187   HG21  THR 774          HG21      THR 774   0.409 -23.037 -12.409
  188   HG22  THR 774          HG22      THR 774   0.835 -24.723 -12.795
  189   HG23  THR 774          HG23      THR 774   1.155 -24.074 -11.189
  190    H    HIS 775           H        HIS 775   1.482 -26.464 -10.164
  191    HA   HIS 775           HA       HIS 775   1.136 -25.714  -7.331
  192    HB2  HIS 775           HB2      HIS 775   0.235 -28.177  -8.000
  193    HB3  HIS 775           HB3      HIS 775   1.935 -28.575  -7.900
  194    HD1  HIS 775           HD1      HIS 775   2.440 -29.431  -5.469
  195    HD2  HIS 775           HD2      HIS 775  -0.854 -26.849  -5.792
  196    HE1  HIS 775           HE1      HIS 775   1.507 -29.166  -3.101
  197    H    PHE 776           H        PHE 776   3.204 -26.402  -6.053
  198    HA   PHE 776           HA       PHE 776   5.558 -25.416  -7.467
  199    HB2  PHE 776           HB2      PHE 776   5.549 -26.719  -4.733
  200    HB3  PHE 776           HB3      PHE 776   6.590 -25.436  -5.326
  201    HD1  PHE 776           HD1      PHE 776   5.473 -23.131  -5.821
  202    HD2  PHE 776           HD2      PHE 776   3.555 -26.271  -3.572
  203    HE1  PHE 776           HE1      PHE 776   3.782 -21.505  -4.964
  204    HE2  PHE 776           HE2      PHE 776   1.874 -24.644  -2.728
  205    HZ   PHE 776           HZ       PHE 776   1.988 -22.274  -3.457
  206    H    LYS 777           H        LYS 777   4.269 -28.525  -6.647
  207    HA   LYS 777           HA       LYS 777   6.176 -30.063  -8.176
  208    HB2  LYS 777           HB2      LYS 777   7.071 -31.390  -6.306
  209    HB3  LYS 777           HB3      LYS 777   7.505 -29.692  -6.146
  210    HG2  LYS 777           HG2      LYS 777   5.561 -29.421  -4.510
  211    HG3  LYS 777           HG3      LYS 777   5.327 -31.177  -4.603
  212    HD2  LYS 777           HD2      LYS 777   7.672 -31.503  -3.851
  213    HD3  LYS 777           HD3      LYS 777   7.875 -29.736  -3.759
  214    HE2  LYS 777           HE2      LYS 777   6.044 -29.619  -2.080
  215    HE3  LYS 777           HE3      LYS 777   5.848 -31.380  -2.169
  216    HZ1  LYS 777           HZ1      LYS 777   8.121 -31.606  -1.333
  217    HZ2  LYS 777           HZ2      LYS 777   7.218 -30.747  -0.282
  218    HZ3  LYS 777           HZ3      LYS 777   8.294 -29.981  -1.232
  219    HA   PRO 778           HA       PRO 778   2.533 -32.556  -8.333
  220    HB2  PRO 778           HB2      PRO 778   3.398 -34.994  -9.167
  221    HB3  PRO 778           HB3      PRO 778   3.514 -33.535 -10.197
  222    HG2  PRO 778           HG2      PRO 778   5.689 -34.737  -8.439
  223    HG3  PRO 778           HG3      PRO 778   5.799 -34.253 -10.160
  224    HD2  PRO 778           HD2      PRO 778   6.614 -32.615  -8.146
  225    HD3  PRO 778           HD3      PRO 778   5.831 -31.976  -9.618
  226    H    LYS 779           H        LYS 779   1.302 -34.193  -7.241
  227    HA   LYS 779           HA       LYS 779   2.075 -34.674  -4.490
  228    HB2  LYS 779           HB2      LYS 779  -0.202 -35.752  -6.185
  229    HB3  LYS 779           HB3      LYS 779  -0.046 -36.026  -4.444
  230    HG2  LYS 779           HG2      LYS 779  -0.039 -33.560  -4.076
  231    HG3  LYS 779           HG3      LYS 779  -0.424 -33.334  -5.787
  232    HD2  LYS 779           HD2      LYS 779  -2.121 -34.950  -3.822
  233    HD3  LYS 779           HD3      LYS 779  -2.340 -33.242  -4.122
  234    HE2  LYS 779           HE2      LYS 779  -3.998 -34.385  -5.370
  235    HE3  LYS 779           HE3      LYS 779  -2.847 -33.690  -6.520
  236    HZ1  LYS 779           HZ1      LYS 779  -2.659 -36.522  -5.663
  237    HZ2  LYS 779           HZ2      LYS 779  -1.997 -35.816  -6.986
  238    HZ3  LYS 779           HZ3      LYS 779  -3.607 -36.052  -6.914
  239    H    GLU 780           H        GLU 780   2.201 -36.693  -3.436
  240    HA   GLU 780           HA       GLU 780   3.926 -38.665  -4.546
  241    HB2  GLU 780           HB2      GLU 780   1.961 -38.873  -2.212
  242    HB3  GLU 780           HB3      GLU 780   3.184 -40.072  -2.610
  243    HG2  GLU 780           HG2      GLU 780   4.097 -38.809  -0.848
  244    HG3  GLU 780           HG3      GLU 780   4.977 -38.353  -2.306
  245    H    THR 781           H        THR 781   0.350 -38.547  -4.412
  246    HA   THR 781           HA       THR 781  -0.087 -41.113  -5.659
  247    HB   THR 781           HB       THR 781  -2.410 -40.047  -6.090
  248    HG1  THR 781           HG1      THR 781  -2.639 -38.304  -4.448
  249   HG21  THR 781          HG21      THR 781  -3.035 -40.345  -3.729
  250   HG22  THR 781          HG22      THR 781  -1.325 -40.268  -3.242
  251   HG23  THR 781          HG23      THR 781  -1.914 -41.619  -4.238
  252    H    CYS 782           H        CYS 782   0.266 -37.804  -6.963
  253    HA   CYS 782           HA       CYS 782  -0.384 -38.507  -9.664
  254    HB2  CYS 782           HB2      CYS 782   1.271 -36.225  -8.474
  255    HB3  CYS 782           HB3      CYS 782   0.883 -36.377 -10.176
  256    H    VAL 783           H        VAL 783   2.741 -38.376  -7.908
  257    HA   VAL 783           HA       VAL 783   4.333 -39.328 -10.127
  258    HB   VAL 783           HB       VAL 783   4.873 -39.365  -7.136
  259   HG11  VAL 783          HG11      VAL 783   6.317 -41.073  -8.169
  260   HG12  VAL 783          HG12      VAL 783   6.766 -39.940  -9.463
  261   HG13  VAL 783          HG13      VAL 783   7.273 -39.645  -7.776
  262   HG21  VAL 783          HG21      VAL 783   6.308 -37.422  -7.652
  263   HG22  VAL 783          HG22      VAL 783   5.899 -37.546  -9.369
  264   HG23  VAL 783          HG23      VAL 783   4.666 -37.087  -8.184
  265    H    SER 784           H        SER 784   2.766 -41.091  -7.369
  266    HA   SER 784           HA       SER 784   3.793 -43.663  -8.066
  267    HB2  SER 784           HB2      SER 784   2.875 -43.013  -5.854
  268    HB3  SER 784           HB3      SER 784   1.249 -42.958  -6.556
  269    HG   SER 784           HG       SER 784   1.742 -44.984  -5.491
  270    H    GLU 785           H        GLU 785   0.693 -42.101  -9.016
  271    HA   GLU 785           HA       GLU 785  -0.150 -44.372 -10.665
  272    HB2  GLU 785           HB2      GLU 785  -1.202 -41.539 -10.352
  273    HB3  GLU 785           HB3      GLU 785  -1.925 -42.758 -11.390
  274    HG2  GLU 785           HG2      GLU 785  -2.344 -44.213  -9.461
  275    HG3  GLU 785           HG3      GLU 785  -1.606 -43.027  -8.376
  276    H    ASN 786           H        ASN 786   2.149 -41.945 -11.146
  277    HA   ASN 786           HA       ASN 786   3.300 -41.115 -12.880
  278    HB2  ASN 786           HB2      ASN 786   2.340 -43.604 -14.359
  279    HB3  ASN 786           HB3      ASN 786   3.636 -42.555 -14.878
  280   HD21  ASN 786          HD21      ASN 786   2.756 -45.055 -12.543
  281   HD22  ASN 786          HD22      ASN 786   4.387 -45.282 -11.936
  282    H    HIS 787           H        HIS 787   1.113 -39.706 -12.511
  283    HA   HIS 787           HA       HIS 787  -0.502 -39.165 -14.850
  284    HB2  HIS 787           HB2      HIS 787   0.344 -37.428 -12.501
  285    HB3  HIS 787           HB3      HIS 787  -0.757 -36.904 -13.767
  286    HD2  HIS 787           HD2      HIS 787  -1.573 -40.455 -12.975
  287    HE1  HIS 787           HE1      HIS 787  -4.142 -38.240 -10.425
  288    HE2  HIS 787           HE2      HIS 787  -3.596 -40.557 -11.330
  289    H    ASP 788           H        ASP 788  -0.292 -37.377 -16.320
  290    HA   ASP 788           HA       ASP 788   2.516 -36.870 -17.173
  291    HB2  ASP 788           HB2      ASP 788  -0.167 -36.245 -18.460
  292    HB3  ASP 788           HB3      ASP 788   1.385 -35.721 -19.095
  293    H    PHE 789           H        PHE 789   3.571 -34.995 -16.742
  294    HA   PHE 789           HA       PHE 789   2.006 -32.568 -16.147
  295    HB2  PHE 789           HB2      PHE 789   4.151 -32.278 -14.426
  296    HB3  PHE 789           HB3      PHE 789   2.489 -32.534 -13.995
  297    HD1  PHE 789           HD2      PHE 789   5.801 -34.127 -14.319
  298    HD2  PHE 789           HD1      PHE 789   1.719 -34.603 -13.029
  299    HE1  PHE 789           HE2      PHE 789   6.466 -36.104 -12.950
  300    HE2  PHE 789           HE1      PHE 789   2.372 -36.568 -11.679
  301    HZ   PHE 789           HZ       PHE 789   4.747 -37.332 -11.623
  302    H    HIS 790           H        HIS 790   3.014 -30.613 -16.410
  303    HA   HIS 790           HA       HIS 790   5.555 -30.584 -18.021
  304    HB2  HIS 790           HB2      HIS 790   3.056 -28.860 -18.312
  305    HB3  HIS 790           HB3      HIS 790   4.615 -28.447 -18.999
  306    HD1  HIS 790           HD1      HIS 790   4.505 -28.920 -21.527
  307    HD2  HIS 790           HD2      HIS 790   2.565 -31.791 -19.153
  308    HE1  HIS 790           HE1      HIS 790   3.598 -30.671 -23.132
  309    H    TRP 791           H        TRP 791   7.137 -29.399 -17.192
  310    HA   TRP 791           HA       TRP 791   6.645 -27.735 -14.772
  311    HB2  TRP 791           HB2      TRP 791   9.145 -29.023 -15.893
  312    HB3  TRP 791           HB3      TRP 791   9.144 -27.890 -14.552
  313    HD1  TRP 791           HD1      TRP 791   7.873 -31.420 -15.402
  314    HE1  TRP 791           HE1      TRP 791   7.752 -32.799 -13.244
  315    HE3  TRP 791           HE3      TRP 791   8.872 -27.706 -12.019
  316    HZ2  TRP 791           HZ2      TRP 791   8.103 -32.361 -10.413
  317    HZ3  TRP 791           HZ3      TRP 791   8.960 -28.216  -9.588
  318    HH2  TRP 791           HH2      TRP 791   8.604 -30.534  -8.776
  319    H    HIS 792           H        HIS 792   7.463 -25.660 -14.539
  320    HA   HIS 792           HA       HIS 792   8.883 -24.163 -16.562
  321    HB2  HIS 792           HB2      HIS 792   7.064 -22.664 -17.214
  322    HB3  HIS 792           HB3      HIS 792   6.615 -24.295 -17.648
  323    HD1  HIS 792           HD1      HIS 792   5.279 -21.386 -15.766
  324    HD2  HIS 792           HD2      HIS 792   4.826 -25.568 -15.797
  325    HE1  HIS 792           HE1      HIS 792   3.069 -21.877 -14.610
  326    H    ASN 793           H        ASN 793   8.542 -21.603 -15.876
  327    HA   ASN 793           HA       ASN 793   9.038 -21.551 -12.939
  328    HB2  ASN 793           HB2      ASN 793  10.693 -20.625 -14.610
  329    HB3  ASN 793           HB3      ASN 793   9.524 -19.329 -14.941
  330   HD21  ASN 793          HD21      ASN 793  11.846 -20.578 -12.594
  331   HD22  ASN 793          HD22      ASN 793  11.753 -19.182 -11.544
  332    H    GLY 794           H        GLY 794   7.935 -20.142 -11.528
  333    HA2  GLY 794           HA2      GLY 794   5.865 -18.270 -12.419
  334    HA3  GLY 794           HA3      GLY 794   5.227 -19.689 -11.606
  335    H    VAL 795           H        VAL 795   4.840 -17.134 -10.534
  336    HA   VAL 795           HA       VAL 795   6.789 -16.834  -8.310
  337    HB   VAL 795           HB       VAL 795   4.531 -15.028  -9.198
  338   HG11  VAL 795          HG11      VAL 795   6.462 -14.736  -6.861
  339   HG12  VAL 795          HG12      VAL 795   5.488 -13.398  -7.510
  340   HG13  VAL 795          HG13      VAL 795   4.699 -14.793  -6.761
  341   HG21  VAL 795          HG21      VAL 795   6.359 -13.481  -9.757
  342   HG22  VAL 795          HG22      VAL 795   7.559 -14.671  -9.199
  343   HG23  VAL 795          HG23      VAL 795   6.571 -15.000 -10.631
  344    H    LYS 796           H        LYS 796   6.425 -17.375  -6.295
  345    HA   LYS 796           HA       LYS 796   3.746 -18.373  -5.446
  346    HB2  LYS 796           HB2      LYS 796   4.864 -19.762  -3.909
  347    HB3  LYS 796           HB3      LYS 796   5.745 -19.902  -5.425
  348    HG2  LYS 796           HG2      LYS 796   7.177 -17.882  -4.267
  349    HG3  LYS 796           HG3      LYS 796   6.563 -18.659  -2.803
  350    HD2  LYS 796           HD2      LYS 796   8.123 -19.977  -5.060
  351    HD3  LYS 796           HD3      LYS 796   8.791 -19.481  -3.493
  352    HE2  LYS 796           HE2      LYS 796   7.195 -21.030  -2.335
  353    HE3  LYS 796           HE3      LYS 796   6.612 -21.596  -3.904
  354    HZ1  LYS 796           HZ1      LYS 796   8.860 -22.378  -4.385
  355    HZ2  LYS 796           HZ2      LYS 796   8.311 -23.076  -3.009
  356    HZ3  LYS 796           HZ3      LYS 796   9.398 -21.866  -2.930
  357    H    ARG 797           H        ARG 797   2.811 -17.782  -3.567
  358    HA   ARG 797           HA       ARG 797   3.926 -15.549  -1.963
  359    HB2  ARG 797           HB2      ARG 797   1.486 -14.727  -1.792
  360    HB3  ARG 797           HB3      ARG 797   2.479 -14.199  -3.108
  361    HG2  ARG 797           HG2      ARG 797   0.494 -16.477  -3.387
  362    HG3  ARG 797           HG3      ARG 797   0.050 -14.788  -3.590
  363    HD2  ARG 797           HD2      ARG 797   2.021 -16.320  -5.342
  364    HD3  ARG 797           HD3      ARG 797   0.364 -15.884  -5.724
  365    HE   ARG 797           HE       ARG 797   2.031 -13.568  -5.076
  366   HH11  ARG 797          HH11      ARG 797   0.997 -15.697  -7.755
  367   HH12  ARG 797          HH12      ARG 797   1.409 -14.491  -8.941
  368   HH21  ARG 797          HH21      ARG 797   2.580 -12.120  -6.685
  369   HH22  ARG 797          HH22      ARG 797   2.250 -12.508  -8.348
  370    H    PHE 798           H        PHE 798   3.169 -15.448   0.152
  371    HA   PHE 798           HA       PHE 798   2.613 -18.183   1.178
  372    HB2  PHE 798           HB2      PHE 798   4.005 -15.899   2.617
  373    HB3  PHE 798           HB3      PHE 798   4.066 -17.624   2.982
  374    HD1  PHE 798           HD1      PHE 798   5.284 -19.190   1.380
  375    HD2  PHE 798           HD2      PHE 798   5.561 -14.898   1.107
  376    HE1  PHE 798           HE1      PHE 798   7.278 -19.408  -0.094
  377    HE2  PHE 798           HE2      PHE 798   7.556 -15.108  -0.298
  378    HZ   PHE 798           HZ       PHE 798   8.392 -17.371  -0.974
  379    H    PHE 799           H        PHE 799   1.319 -18.528   3.010
  380    HA   PHE 799           HA       PHE 799  -0.508 -16.330   3.792
  381    HB2  PHE 799           HB2      PHE 799  -1.382 -19.058   2.820
  382    HB3  PHE 799           HB3      PHE 799  -2.426 -17.793   3.494
  383    HD1  PHE 799           HD1      PHE 799  -3.016 -15.801   2.194
  384    HD2  PHE 799           HD2      PHE 799  -0.332 -18.775   0.590
  385    HE1  PHE 799           HE1      PHE 799  -3.107 -14.697  -0.020
  386    HE2  PHE 799           HE2      PHE 799  -0.399 -17.633  -1.610
  387    HZ   PHE 799           HZ       PHE 799  -1.712 -15.560  -1.910
  388    H    LYS 800           H        LYS 800  -1.520 -16.464   5.724
  389    HA   LYS 800           HA       LYS 800  -0.722 -18.639   7.616
  390    HB2  LYS 800           HB2      LYS 800   0.718 -16.684   7.917
  391    HB3  LYS 800           HB3      LYS 800  -0.702 -15.637   8.122
  392    HG2  LYS 800           HG2      LYS 800  -1.322 -16.779  10.182
  393    HG3  LYS 800           HG3      LYS 800  -0.054 -17.999   9.949
  394    HD2  LYS 800           HD2      LYS 800   1.676 -16.233  10.147
  395    HD3  LYS 800           HD3      LYS 800   0.404 -15.017  10.384
  396    HE2  LYS 800           HE2      LYS 800  -0.378 -16.274  12.407
  397    HE3  LYS 800           HE3      LYS 800   0.912 -17.452  12.171
  398    HZ1  LYS 800           HZ1      LYS 800   1.362 -14.560  12.692
  399    HZ2  LYS 800           HZ2      LYS 800   2.536 -15.692  12.530
  400    HZ3  LYS 800           HZ3      LYS 800   1.515 -15.749  13.805
  401    H    CYS 801           H        CYS 801  -2.232 -19.339   8.997
  402    HA   CYS 801           HA       CYS 801  -5.036 -18.324   8.826
  403    HB2  CYS 801           HB2      CYS 801  -4.490 -20.707   8.257
  404    HB3  CYS 801           HB3      CYS 801  -3.828 -20.923   9.884
  405    HA   PRO 802           HA       PRO 802  -4.630 -16.546  12.899
  406    HB2  PRO 802           HB2      PRO 802  -7.169 -17.093  14.003
  407    HB3  PRO 802           HB3      PRO 802  -6.710 -15.715  12.969
  408    HG2  PRO 802           HG2      PRO 802  -7.962 -18.349  12.150
  409    HG3  PRO 802           HG3      PRO 802  -8.408 -16.693  11.611
  410    HD2  PRO 802           HD2      PRO 802  -6.891 -18.206  10.036
  411    HD3  PRO 802           HD3      PRO 802  -6.439 -16.513  10.276
  412    H    CYS 803           H        CYS 803  -5.417 -20.014  12.747
  413    HA   CYS 803           HA       CYS 803  -4.887 -20.470  15.577
  414    HB2  CYS 803           HB2      CYS 803  -5.094 -22.789  15.049
  415    HB3  CYS 803           HB3      CYS 803  -6.381 -21.925  14.207
  416    H    GLY 804           H        GLY 804  -2.844 -19.731  12.991
  417    HA2  GLY 804           HA2      GLY 804  -0.513 -19.350  13.278
  418    HA3  GLY 804           HA3      GLY 804  -0.409 -20.739  14.394
  419    H    ASN 805           H        ASN 805  -2.262 -22.007  12.012
  420    HA   ASN 805           HA       ASN 805  -0.157 -23.448  10.747
  421    HB2  ASN 805           HB2      ASN 805  -2.550 -24.174  11.068
  422    HB3  ASN 805           HB3      ASN 805  -3.001 -23.089   9.744
  423   HD21  ASN 805          HD21      ASN 805  -3.817 -24.986   8.617
  424   HD22  ASN 805          HD22      ASN 805  -2.696 -26.133   7.885
  425    H    ARG 806           H        ARG 806   0.435 -23.495   8.502
  426    HA   ARG 806           HA       ARG 806   0.407 -20.855   7.087
  427    HB2  ARG 806           HB2      ARG 806   2.778 -22.703   7.618
  428    HB3  ARG 806           HB3      ARG 806   2.818 -21.313   6.543
  429    HG2  ARG 806           HG2      ARG 806   2.336 -21.251   9.557
  430    HG3  ARG 806           HG3      ARG 806   3.831 -20.828   8.736
  431    HD2  ARG 806           HD2      ARG 806   1.183 -19.350   8.570
  432    HD3  ARG 806           HD3      ARG 806   2.640 -18.795   9.391
  433    HE   ARG 806           HE       ARG 806   2.034 -18.705   6.536
  434   HH11  ARG 806          HH11      ARG 806   4.725 -18.555   8.852
  435   HH12  ARG 806          HH12      ARG 806   5.797 -17.829   7.683
  436   HH21  ARG 806          HH21      ARG 806   3.474 -17.819   5.106
  437   HH22  ARG 806          HH22      ARG 806   5.092 -17.402   5.599
  438    H    THR 807           H        THR 807   0.684 -20.915   4.835
  439    HA   THR 807           HA       THR 807   1.294 -23.331   3.425
  440    HB   THR 807           HB       THR 807  -1.209 -23.589   3.939
  441    HG1  THR 807           HG1      THR 807  -0.144 -24.846   2.491
  442   HG21  THR 807          HG21      THR 807  -2.787 -22.573   2.446
  443   HG22  THR 807          HG22      THR 807  -1.518 -21.656   1.607
  444   HG23  THR 807          HG23      THR 807  -1.919 -21.287   3.298
  445    H    ILE 808           H        ILE 808   0.680 -22.815   0.939
  446    HA   ILE 808           HA       ILE 808   1.758 -20.139   0.192
  447    HB   ILE 808           HB       ILE 808   2.987 -22.683  -0.932
  448   HG12  ILE 808          HG12      ILE 808   4.038 -21.060   1.416
  449   HG13  ILE 808          HG13      ILE 808   3.556 -22.754   1.422
  450   HG21  ILE 808          HG21      ILE 808   3.150 -20.503  -2.228
  451   HG22  ILE 808          HG22      ILE 808   4.040 -19.823  -0.865
  452   HG23  ILE 808          HG23      ILE 808   4.706 -21.192  -1.782
  453   HD11  ILE 808          HD11      ILE 808   5.932 -22.688   1.441
  454   HD12  ILE 808          HD12      ILE 808   5.423 -23.287  -0.153
  455   HD13  ILE 808          HD13      ILE 808   6.002 -21.607   0.046
  456    H    SER 809           H        SER 809   1.107 -19.517  -1.911
  457    HA   SER 809           HA       SER 809  -0.280 -21.509  -3.623
  458    HB2  SER 809           HB2      SER 809  -2.063 -20.279  -2.346
  459    HB3  SER 809           HB3      SER 809  -1.503 -18.784  -3.133
  460    HG   SER 809           HG       SER 809  -3.257 -19.874  -4.259
  461    H    LEU 810           H        LEU 810  -0.367 -20.897  -5.839
  462    HA   LEU 810           HA       LEU 810   1.688 -18.944  -6.748
  463    HB2  LEU 810           HB2      LEU 810  -0.021 -20.981  -8.255
  464    HB3  LEU 810           HB3      LEU 810   1.140 -19.895  -8.999
  465    HG   LEU 810           HG       LEU 810   1.839 -22.080  -6.980
  466   HD11  LEU 810          HD11      LEU 810   2.316 -21.949  -9.964
  467   HD12  LEU 810          HD12      LEU 810   1.115 -22.959  -9.133
  468   HD13  LEU 810          HD13      LEU 810   2.846 -23.234  -8.856
  469   HD21  LEU 810          HD21      LEU 810   3.441 -20.170  -6.831
  470   HD22  LEU 810          HD22      LEU 810   3.688 -20.256  -8.584
  471   HD23  LEU 810          HD23      LEU 810   4.174 -21.608  -7.521
  472    H    ASP 811           H        ASP 811  -1.704 -19.171  -6.182
  473    HA   ASP 811           HA       ASP 811  -2.358 -16.821  -7.881
  474    HB2  ASP 811           HB2      ASP 811  -3.792 -18.932  -7.834
  475    HB3  ASP 811           HB3      ASP 811  -4.175 -18.548  -6.160
  476    H    ARG 812           H        ARG 812  -3.861 -15.237  -6.796
  477    HA   ARG 812           HA       ARG 812  -2.555 -13.855  -4.699
  478    HB2  ARG 812           HB2      ARG 812  -4.515 -12.367  -4.732
  479    HB3  ARG 812           HB3      ARG 812  -3.910 -12.737  -6.357
  480    HG2  ARG 812           HG2      ARG 812  -5.746 -14.365  -6.703
  481    HG3  ARG 812           HG3      ARG 812  -6.339 -14.051  -5.057
  482    HD2  ARG 812           HD2      ARG 812  -6.782 -11.697  -5.652
  483    HD3  ARG 812           HD3      ARG 812  -6.108 -11.978  -7.273
  484    HE   ARG 812           HE       ARG 812  -8.187 -13.868  -6.784
  485   HH11  ARG 812          HH11      ARG 812  -7.843 -10.420  -7.490
  486   HH12  ARG 812          HH12      ARG 812  -9.438 -10.313  -8.183
  487   HH21  ARG 812          HH21      ARG 812 -10.219 -13.663  -7.687
  488   HH22  ARG 812          HH22      ARG 812 -10.765 -12.123  -8.288
  489    H    LEU 813           H        LEU 813  -4.689 -16.526  -4.347
  490    HA   LEU 813           HA       LEU 813  -4.535 -16.439  -1.462
  491    HB2  LEU 813           HB2      LEU 813  -6.587 -14.973  -2.205
  492    HB3  LEU 813           HB3      LEU 813  -7.297 -16.481  -2.745
  493    HG   LEU 813           HG       LEU 813  -7.119 -17.331  -0.360
  494   HD11  LEU 813          HD11      LEU 813  -6.852 -15.658   1.438
  495   HD12  LEU 813          HD12      LEU 813  -6.465 -14.402   0.238
  496   HD13  LEU 813          HD13      LEU 813  -5.365 -15.766   0.498
  497   HD21  LEU 813          HD21      LEU 813  -9.216 -16.439  -1.297
  498   HD22  LEU 813          HD22      LEU 813  -8.736 -14.789  -0.836
  499   HD23  LEU 813          HD23      LEU 813  -9.055 -16.007   0.415
  500    HA   PRO 814           HA       PRO 814  -4.636 -20.842  -2.555
  501    HB2  PRO 814           HB2      PRO 814  -4.851 -22.007  -0.100
  502    HB3  PRO 814           HB3      PRO 814  -3.346 -21.220  -0.661
  503    HG2  PRO 814           HG2      PRO 814  -5.550 -20.044   1.054
  504    HG3  PRO 814           HG3      PRO 814  -3.776 -20.011   1.379
  505    HD2  PRO 814           HD2      PRO 814  -5.044 -17.920   0.275
  506    HD3  PRO 814           HD3      PRO 814  -3.431 -18.401  -0.308
  507    H    LYS 815           H        LYS 815  -6.088 -22.725  -2.415
  508    HA   LYS 815           HA       LYS 815  -8.977 -21.941  -2.205
  509    HB2  LYS 815           HB2      LYS 815  -9.313 -23.477  -4.046
  510    HB3  LYS 815           HB3      LYS 815  -8.012 -22.356  -4.460
  511    HG2  LYS 815           HG2      LYS 815  -6.340 -24.165  -3.728
  512    HG3  LYS 815           HG3      LYS 815  -7.712 -25.273  -3.571
  513    HD2  LYS 815           HD2      LYS 815  -6.856 -23.828  -6.100
  514    HD3  LYS 815           HD3      LYS 815  -6.486 -25.515  -5.684
  515    HE2  LYS 815           HE2      LYS 815  -8.928 -26.028  -5.610
  516    HE3  LYS 815           HE3      LYS 815  -9.291 -24.362  -6.073
  517    HZ1  LYS 815           HZ1      LYS 815  -7.773 -26.301  -7.735
  518    HZ2  LYS 815           HZ2      LYS 815  -8.087 -24.756  -8.160
  519    HZ3  LYS 815           HZ3      LYS 815  -9.312 -25.828  -8.002
  520    H    LYS 816           H        LYS 816  -6.717 -23.814  -0.677
  521    HA   LYS 816           HA       LYS 816  -7.990 -26.385  -0.800
  522    HB2  LYS 816           HB2      LYS 816  -5.887 -27.066   0.434
  523    HB3  LYS 816           HB3      LYS 816  -5.643 -26.232  -1.101
  524    HG2  LYS 816           HG2      LYS 816  -5.023 -24.187  -0.016
  525    HG3  LYS 816           HG3      LYS 816  -5.564 -24.749   1.562
  526    HD2  LYS 816           HD2      LYS 816  -3.185 -24.808   1.549
  527    HD3  LYS 816           HD3      LYS 816  -3.730 -26.495   1.479
  528    HE2  LYS 816           HE2      LYS 816  -3.307 -26.557  -0.944
  529    HE3  LYS 816           HE3      LYS 816  -3.002 -24.818  -0.979
  530    HZ1  LYS 816           HZ1      LYS 816  -1.306 -26.803   0.414
  531    HZ2  LYS 816           HZ2      LYS 816  -1.052 -25.186   0.394
  532    HZ3  LYS 816           HZ3      LYS 816  -0.941 -26.061  -0.996
  533    H    HIS 817           H        HIS 817  -8.267 -23.981   1.590
  534    HA   HIS 817           HA       HIS 817  -9.112 -23.845   3.713
  535    HB2  HIS 817           HB2      HIS 817  -9.743 -26.821   3.689
  536    HB3  HIS 817           HB3      HIS 817 -10.325 -25.608   4.796
  537    HD1  HIS 817           HD1      HIS 817 -10.936 -26.782   1.196
  538    HD2  HIS 817           HD2      HIS 817 -12.410 -24.123   4.087
  539    HE1  HIS 817           HE1      HIS 817 -13.142 -25.908   0.296
  540    H    CYS 818           H        CYS 818  -8.578 -24.403   5.971
  541    HA   CYS 818           HA       CYS 818  -5.777 -24.799   6.370
  542    HB2  CYS 818           HB2      CYS 818  -7.205 -23.346   7.698
  543    HB3  CYS 818           HB3      CYS 818  -8.100 -24.736   8.316
  544    H    SER 819           H        SER 819  -4.601 -26.537   6.918
  545    HA   SER 819           HA       SER 819  -5.777 -29.239   6.995
  546    HB2  SER 819           HB2      SER 819  -3.366 -29.904   7.151
  547    HB3  SER 819           HB3      SER 819  -3.799 -28.975   5.708
  548    HG   SER 819           HG       SER 819  -1.827 -28.271   6.731
  549    H    THR 820           H        THR 820  -5.171 -26.837   9.366
  550    HA   THR 820           HA       THR 820  -4.694 -28.834  11.537
  551    HB   THR 820           HB       THR 820  -4.364 -25.822  11.450
  552    HG1  THR 820           HG1      THR 820  -2.507 -27.973  11.668
  553   HG21  THR 820          HG21      THR 820  -3.786 -27.785  13.710
  554   HG22  THR 820          HG22      THR 820  -4.937 -26.434  13.752
  555   HG23  THR 820          HG23      THR 820  -3.201 -26.101  13.640
  556    H    CYS 821           H        CYS 821  -6.915 -26.097  10.746
  557    HA   CYS 821           HA       CYS 821  -8.787 -27.216  12.802
  558    HB2  CYS 821           HB2      CYS 821  -9.459 -25.051  13.399
  559    HB3  CYS 821           HB3      CYS 821  -7.711 -25.137  13.536
  560    H    GLY 822           H        GLY 822  -8.571 -26.421   9.487
  561    HA2  GLY 822           HA2      GLY 822  -9.950 -27.470   7.927
  562    HA3  GLY 822           HA3      GLY 822 -11.221 -27.653   9.146
  563    H    LEU 823           H        LEU 823 -10.652 -24.476   9.432
  564    HA   LEU 823           HA       LEU 823 -12.845 -23.766   7.581
  565    HB2  LEU 823           HB2      LEU 823 -12.908 -21.647   8.801
  566    HB3  LEU 823           HB3      LEU 823 -13.117 -23.068   9.797
  567    HG   LEU 823           HG       LEU 823 -10.957 -22.831  10.791
  568   HD11  LEU 823          HD11      LEU 823  -9.517 -22.043   9.025
  569   HD12  LEU 823          HD12      LEU 823  -9.485 -20.829  10.303
  570   HD13  LEU 823          HD13      LEU 823 -10.458 -20.545   8.850
  571   HD21  LEU 823          HD21      LEU 823 -11.264 -20.670  11.940
  572   HD22  LEU 823          HD22      LEU 823 -12.822 -21.476  11.692
  573   HD23  LEU 823          HD23      LEU 823 -12.333 -20.125  10.647
  574    H    PHE 824           H        PHE 824 -12.479 -21.225   6.911
  575    HA   PHE 824           HA       PHE 824 -10.008 -21.077   5.250
  576    HB2  PHE 824           HB2      PHE 824 -12.041 -21.856   3.978
  577    HB3  PHE 824           HB3      PHE 824 -12.811 -20.323   4.343
  578    HD1  PHE 824           HD1      PHE 824 -10.135 -22.032   2.453
  579    HD2  PHE 824           HD2      PHE 824 -12.073 -18.251   3.210
  580    HE1  PHE 824           HE1      PHE 824  -9.043 -21.066   0.443
  581    HE2  PHE 824           HE2      PHE 824 -10.971 -17.291   1.206
  582    HZ   PHE 824           HZ       PHE 824  -9.457 -18.699  -0.185
  583    H    LYS 825           H        LYS 825  -8.957 -19.639   6.513
  584    HA   LYS 825           HA       LYS 825  -9.935 -16.846   6.625
  585    HB2  LYS 825           HB2      LYS 825  -9.052 -18.487   9.036
  586    HB3  LYS 825           HB3      LYS 825  -9.138 -16.742   9.057
  587    HG2  LYS 825           HG2      LYS 825 -11.535 -18.538   8.593
  588    HG3  LYS 825           HG3      LYS 825 -11.080 -17.807  10.121
  589    HD2  LYS 825           HD2      LYS 825 -11.382 -15.560   9.268
  590    HD3  LYS 825           HD3      LYS 825 -11.717 -16.148   7.635
  591    HE2  LYS 825           HE2      LYS 825 -13.424 -16.831  10.066
  592    HE3  LYS 825           HE3      LYS 825 -13.735 -15.480   8.966
  593    HZ1  LYS 825           HZ1      LYS 825 -13.930 -17.065   7.151
  594    HZ2  LYS 825           HZ2      LYS 825 -15.022 -17.420   8.323
  595    HZ3  LYS 825           HZ3      LYS 825 -13.671 -18.330   8.162
  596    H    TRP 826           H        TRP 826  -7.960 -18.190   4.966
  597    HA   TRP 826           HA       TRP 826  -5.296 -17.684   5.832
  598    HB2  TRP 826           HB2      TRP 826  -6.524 -17.878   3.059
  599    HB3  TRP 826           HB3      TRP 826  -4.798 -17.794   3.354
  600    HD1  TRP 826           HD1      TRP 826  -7.379 -20.236   2.781
  601    HE1  TRP 826           HE1      TRP 826  -6.582 -22.612   3.378
  602    HE3  TRP 826           HE3      TRP 826  -3.264 -19.043   5.560
  603    HZ2  TRP 826           HZ2      TRP 826  -4.462 -23.825   4.923
  604    HZ3  TRP 826           HZ3      TRP 826  -1.902 -20.807   6.628
  605    HH2  TRP 826           HH2      TRP 826  -2.496 -23.213   6.330
  606    H    GLU 827           H        GLU 827  -4.128 -15.925   6.055
  607    HA   GLU 827           HA       GLU 827  -4.941 -13.328   4.845
  608    HB2  GLU 827           HB2      GLU 827  -4.755 -13.487   7.326
  609    HB3  GLU 827           HB3      GLU 827  -3.078 -14.004   7.163
  610    HG2  GLU 827           HG2      GLU 827  -3.125 -11.661   7.746
  611    HG3  GLU 827           HG3      GLU 827  -2.501 -11.800   6.123
  612    H    ARG 828           H        ARG 828  -3.581 -12.340   3.408
  613    HA   ARG 828           HA       ARG 828  -1.381 -13.750   2.168
  614    HB2  ARG 828           HB2      ARG 828  -2.911 -12.119   1.038
  615    HB3  ARG 828           HB3      ARG 828  -2.235 -10.832   2.024
  616    HG2  ARG 828           HG2      ARG 828  -1.256 -10.669  -0.107
  617    HG3  ARG 828           HG3      ARG 828   0.020 -11.260   0.953
  618    HD2  ARG 828           HD2      ARG 828  -0.109 -13.475   0.022
  619    HD3  ARG 828           HD3      ARG 828  -1.669 -13.157  -0.734
  620    HE   ARG 828           HE       ARG 828   0.987 -12.317  -1.722
  621   HH11  ARG 828          HH11      ARG 828  -2.515 -12.001  -2.160
  622   HH12  ARG 828          HH12      ARG 828  -2.334 -11.267  -3.721
  623   HH21  ARG 828          HH22      ARG 828   1.133 -11.572  -3.843
  624   HH22  ARG 828          HH21      ARG 828  -0.312 -11.047  -4.661
  625    H    VAL 829           H        VAL 829   0.639 -13.936   2.947
  626    HA   VAL 829           HA       VAL 829   1.868 -11.697   4.499
  627    HB   VAL 829           HB       VAL 829   3.010 -13.207   5.993
  628   HG11  VAL 829          HG11      VAL 829   0.878 -12.168   6.706
  629   HG12  VAL 829          HG12      VAL 829   0.003 -13.622   6.190
  630   HG13  VAL 829          HG13      VAL 829   1.194 -13.717   7.503
  631   HG21  VAL 829          HG21      VAL 829   2.378 -15.548   6.296
  632   HG22  VAL 829          HG22      VAL 829   1.244 -15.443   4.932
  633   HG23  VAL 829          HG23      VAL 829   2.991 -15.296   4.657
  634    H    GLY 830           H        GLY 830   4.314 -12.074   4.673
  635    HA2  GLY 830           HA2      GLY 830   5.260 -12.507   1.872
  636    HA3  GLY 830           HA3      GLY 830   5.905 -11.374   3.072
  637    H    MET 831           H        MET 831   7.345 -13.264   1.450
  638    HA   MET 831           HA       MET 831   9.111 -13.898   3.571
  639    HB2  MET 831           HB2      MET 831   7.479 -16.021   3.159
  640    HB3  MET 831           HB3      MET 831   8.730 -16.393   1.964
  641    HG2  MET 831           HG2      MET 831  10.442 -16.232   3.755
  642    HG3  MET 831           HG3      MET 831   9.173 -15.794   4.902
  643    HE1  MET 831           HE1      MET 831  10.779 -18.587   2.710
  644    HE2  MET 831           HE2      MET 831   9.734 -19.987   3.014
  645    HE3  MET 831           HE3      MET 831   9.123 -18.639   2.051
  646    H    LEU 832           H        LEU 832  11.208 -14.121   3.063
  647    HA   LEU 832           HA       LEU 832  12.243 -13.909   0.326
  648    HB2  LEU 832           HB2      LEU 832  13.014 -11.600   0.638
  649    HB3  LEU 832           HB3      LEU 832  11.288 -11.783   0.418
  650    HG   LEU 832           HG       LEU 832  11.909  -9.976   1.925
  651   HD11  LEU 832          HD11      LEU 832  10.220 -10.232   3.548
  652   HD12  LEU 832          HD12      LEU 832  10.432 -11.980   3.645
  653   HD13  LEU 832          HD13      LEU 832   9.706 -11.264   2.195
  654   HD21  LEU 832          HD21      LEU 832  12.770 -10.315   4.167
  655   HD22  LEU 832          HD22      LEU 832  13.910 -10.938   2.969
  656   HD23  LEU 832          HD23      LEU 832  12.887 -12.057   3.910
  657    H    LYS 833           H        LYS 833  12.726 -15.368   2.860
  658    HA   LYS 833           HA       LYS 833  15.014 -14.509   4.255
  659    HB2  LYS 833           HB2      LYS 833  13.935 -17.317   3.815
  660    HB3  LYS 833           HB3      LYS 833  15.235 -16.907   4.944
  661    HG2  LYS 833           HG2      LYS 833  13.721 -15.389   6.195
  662    HG3  LYS 833           HG3      LYS 833  12.416 -15.736   5.059
  663    HD2  LYS 833           HD2      LYS 833  12.061 -17.039   7.047
  664    HD3  LYS 833           HD3      LYS 833  12.459 -18.131   5.720
  665    HE2  LYS 833           HE2      LYS 833  14.803 -18.268   6.560
  666    HE3  LYS 833           HE3      LYS 833  14.401 -17.151   7.876
  667    HZ1  LYS 833           HZ1      LYS 833  12.823 -18.800   8.701
  668    HZ2  LYS 833           HZ2      LYS 833  14.313 -19.457   8.595
  669    HZ3  LYS 833           HZ3      LYS 833  13.179 -19.825   7.475
  670    H    GLU 834           H        GLU 834  16.871 -13.976   3.422
  671    HA   GLU 834           HA       GLU 834  18.360 -15.489   1.398
  672    HB2  GLU 834           HB2      GLU 834  19.243 -13.286   3.317
  673    HB3  GLU 834           HB3      GLU 834  20.168 -13.897   1.939
  674    HG2  GLU 834           HG2      GLU 834  18.319 -13.155   0.401
  675    HG3  GLU 834           HG3      GLU 834  17.499 -12.432   1.788
  676    H    LYS 835           H        LYS 835  20.930 -15.477   2.651
  677    HA   LYS 835           HA       LYS 835  20.955 -18.027   3.928
  678    HB2  LYS 835           HB2      LYS 835  23.355 -17.783   3.879
  679    HB3  LYS 835           HB3      LYS 835  22.631 -17.289   2.352
  680    HG2  LYS 835           HG2      LYS 835  22.852 -14.877   3.041
  681    HG3  LYS 835           HG3      LYS 835  23.648 -15.397   4.540
  682    HD2  LYS 835           HD2      LYS 835  24.682 -15.929   1.717
  683    HD3  LYS 835           HD3      LYS 835  25.236 -14.629   2.780
  684    HE2  LYS 835           HE2      LYS 835  25.964 -16.309   4.463
  685    HE3  LYS 835           HE3      LYS 835  25.461 -17.612   3.381
  686    HZ1  LYS 835           HZ1      LYS 835  27.090 -16.794   1.758
  687    HZ2  LYS 835           HZ2      LYS 835  27.823 -17.169   3.162
  688    HZ3  LYS 835           HZ3      LYS 835  27.565 -15.604   2.783
  689    H    THR 836           H        THR 836  19.548 -16.030   5.560
  690    HA   THR 836           HA       THR 836  21.012 -15.427   7.997
  691    HB   THR 836           HB       THR 836  19.021 -14.198   7.128
  692    HG1  THR 836           HG1      THR 836  18.278 -13.841   9.217
  693   HG21  THR 836          HG21      THR 836  17.540 -16.137   6.566
  694   HG22  THR 836          HG22      THR 836  16.777 -14.985   7.674
  695   HG23  THR 836          HG23      THR 836  17.402 -16.512   8.304
  696    H    GLY 837           H        GLY 837  20.144 -16.268  10.136
  697    HA2  GLY 837           HA2      GLY 837  20.853 -19.079  10.297
  698    HA3  GLY 837           HA3      GLY 837  20.398 -18.045  11.659
  699    HA   PRO 838           HA       PRO 838  20.705 -21.089  11.378
  700    HB2  PRO 838           HB2      PRO 838  18.593 -23.132  10.614
  701    HB3  PRO 838           HB3      PRO 838  20.042 -23.348  11.656
  702    HG2  PRO 838           HG2      PRO 838  17.610 -22.926  12.772
  703    HG3  PRO 838           HG3      PRO 838  19.051 -22.071  13.417
  704    HD2  PRO 838           HD2      PRO 838  16.864 -20.978  11.644
  705    HD3  PRO 838           HD3      PRO 838  17.842 -20.156  12.919
  706    H    LYS 839           H        LYS 839  22.101 -21.601   9.723
  707    HA   LYS 839           HA       LYS 839  21.496 -20.352   7.259
  708    HB2  LYS 839           HB2      LYS 839  23.909 -22.014   8.093
  709    HB3  LYS 839           HB3      LYS 839  23.815 -21.032   6.625
  710    HG2  LYS 839           HG2      LYS 839  23.354 -19.010   8.028
  711    HG3  LYS 839           HG3      LYS 839  23.605 -19.993   9.481
  712    HD2  LYS 839           HD2      LYS 839  25.907 -20.515   8.756
  713    HD3  LYS 839           HD3      LYS 839  25.672 -19.530   7.288
  714    HE2  LYS 839           HE2      LYS 839  25.241 -17.529   8.707
  715    HE3  LYS 839           HE3      LYS 839  25.471 -18.509  10.161
  716    HZ1  LYS 839           HZ1      LYS 839  27.755 -18.901   9.460
  717    HZ2  LYS 839           HZ2      LYS 839  27.473 -17.299   9.567
  718    HZ3  LYS 839           HZ3      LYS 839  27.551 -18.012   8.106
  719    H    LEU 840           H        LEU 840  21.642 -21.032   5.135
  720    HA   LEU 840           HA       LEU 840  19.993 -23.300   4.515
  721    HB2  LEU 840           HB2      LEU 840  21.593 -21.468   2.688
  722    HB3  LEU 840           HB3      LEU 840  20.321 -22.569   2.176
  723    HG   LEU 840           HG       LEU 840  19.895 -20.185   4.031
  724   HD11  LEU 840          HD11      LEU 840  19.238 -20.505   1.074
  725   HD12  LEU 840          HD12      LEU 840  20.529 -19.494   1.749
  726   HD13  LEU 840          HD13      LEU 840  18.832 -19.111   2.094
  727   HD21  LEU 840          HD21      LEU 840  17.477 -20.571   3.569
  728   HD22  LEU 840          HD22      LEU 840  18.207 -21.938   4.417
  729   HD23  LEU 840          HD23      LEU 840  17.892 -22.049   2.670
  730    H    GLY 841           H        GLY 841  20.444 -25.075   3.115
  731    HA2  GLY 841           HA2      GLY 841  22.967 -26.436   3.725
  732    HA3  GLY 841           HA3      GLY 841  21.595 -27.086   2.814
  733    H    GLY 842           H        GLY 842  24.147 -27.619   2.089
  734    HA2  GLY 842           HA2      GLY 842  24.241 -27.072  -0.704
  735    HA3  GLY 842           HA3      GLY 842  25.371 -25.983   0.098
  Start of MODEL   20
    1    H1   GLY  -4           H1       GLY  -4  22.511  -5.416  -8.104
    2    H2   GLY  -4           H2       GLY  -4  21.000  -5.849  -7.624
    3    H3   GLY  -4           H3       GLY  -4  22.237  -5.831  -6.547
    4    HA2  GLY  -4           HA2      GLY  -4  22.457  -3.444  -6.748
    5    HA3  GLY  -4           HA3      GLY  -4  21.125  -3.459  -7.916
    6    HA   PRO  -3           HA       PRO  -3  19.810  -3.126  -3.335
    7    HB2  PRO  -3           HB2      PRO  -3  19.160  -0.479  -3.103
    8    HB3  PRO  -3           HB3      PRO  -3  20.818  -1.107  -2.871
    9    HG2  PRO  -3           HG2      PRO  -3  19.628   0.116  -5.386
   10    HG3  PRO  -3           HG3      PRO  -3  21.177   0.519  -4.589
   11    HD2  PRO  -3           HD2      PRO  -3  21.084  -1.184  -6.698
   12    HD3  PRO  -3           HD3      PRO  -3  22.189  -1.496  -5.320
   13    H    MET  -2           H        MET  -2  18.308  -2.016  -6.354
   14    HA   MET  -2           HA       MET  -2  15.628  -1.801  -5.445
   15    HB2  MET  -2           HB2      MET  -2  16.560  -1.068  -7.655
   16    HB3  MET  -2           HB3      MET  -2  16.648  -2.757  -8.159
   17    HG2  MET  -2           HG2      MET  -2  14.662  -1.687  -9.060
   18    HG3  MET  -2           HG3      MET  -2  14.201  -2.942  -7.916
   19    HE1  MET  -2           HE1      MET  -2  11.275  -0.435  -7.493
   20    HE2  MET  -2           HE2      MET  -2  12.098  -0.944  -8.981
   21    HE3  MET  -2           HE3      MET  -2  11.736  -2.132  -7.707
   22    H    GLY  -1           H        GLY  -1  17.596  -4.688  -5.991
   23    HA2  GLY  -1           HA2      GLY  -1  15.426  -6.612  -6.077
   24    HA3  GLY  -1           HA3      GLY  -1  17.139  -6.940  -5.722
   25    H    MET 755           H        MET 755  17.372  -5.188  -3.450
   26    HA   MET 755           HA       MET 755  16.136  -6.767  -1.316
   27    HB2  MET 755           HB2      MET 755  17.809  -4.216  -1.251
   28    HB3  MET 755           HB3      MET 755  17.317  -5.142   0.168
   29    HG2  MET 755           HG2      MET 755  18.477  -7.153  -0.792
   30    HG3  MET 755           HG3      MET 755  19.104  -6.136  -2.088
   31    HE1  MET 755           HE1      MET 755  19.940  -3.417  -0.779
   32    HE2  MET 755           HE2      MET 755  21.607  -3.763  -0.287
   33    HE3  MET 755           HE3      MET 755  21.010  -4.376  -1.838
   34    H    GLN 756           H        GLN 756  15.358  -3.780  -2.952
   35    HA   GLN 756           HA       GLN 756  13.340  -2.926  -1.008
   36    HB2  GLN 756           HB2      GLN 756  14.859  -1.439  -2.382
   37    HB3  GLN 756           HB3      GLN 756  13.948  -1.916  -3.820
   38    HG2  GLN 756           HG2      GLN 756  11.944  -0.841  -2.952
   39    HG3  GLN 756           HG3      GLN 756  12.684  -0.625  -1.366
   40   HE21  GLN 756          HE21      GLN 756  13.243   0.323  -4.851
   41   HE22  GLN 756          HE22      GLN 756  13.857   1.911  -4.420
   42    H    SER 757           H        SER 757  13.338  -5.280  -3.485
   43    HA   SER 757           HA       SER 757  10.694  -4.878  -4.538
   44    HB2  SER 757           HB2      SER 757  12.662  -6.061  -5.631
   45    HB3  SER 757           HB3      SER 757  12.285  -7.454  -4.614
   46    HG   SER 757           HG       SER 757  11.270  -7.495  -6.723
   47    H    ILE 758           H        ILE 758   9.214  -6.899  -4.611
   48    HA   ILE 758           HA       ILE 758   8.048  -7.116  -1.902
   49    HB   ILE 758           HB       ILE 758   6.879  -8.047  -4.569
   50   HG12  ILE 758          HG12      ILE 758   5.391  -5.886  -4.117
   51   HG13  ILE 758          HG13      ILE 758   6.790  -5.324  -3.232
   52   HG21  ILE 758          HG21      ILE 758   5.764  -9.075  -2.654
   53   HG22  ILE 758          HG22      ILE 758   5.602  -7.492  -1.860
   54   HG23  ILE 758          HG23      ILE 758   4.710  -7.861  -3.334
   55   HD11  ILE 758          HD11      ILE 758   6.627  -4.529  -5.601
   56   HD12  ILE 758          HD12      ILE 758   8.137  -5.399  -5.320
   57   HD13  ILE 758          HD13      ILE 758   6.791  -6.207  -6.158
   58    H    ARG 759           H        ARG 759   7.533  -9.027  -0.860
   59    HA   ARG 759           HA       ARG 759   9.475 -11.025  -0.906
   60    HB2  ARG 759           HB2      ARG 759   8.193 -12.202   0.706
   61    HB3  ARG 759           HB3      ARG 759   8.187 -10.490   1.078
   62    HG2  ARG 759           HG2      ARG 759   5.846 -11.809  -0.366
   63    HG3  ARG 759           HG3      ARG 759   6.037 -11.908   1.375
   64    HD2  ARG 759           HD2      ARG 759   6.131  -9.328   1.375
   65    HD3  ARG 759           HD3      ARG 759   5.524  -9.444  -0.303
   66    HE   ARG 759           HE       ARG 759   3.969 -11.061   1.498
   67   HH11  ARG 759          HH21      ARG 759   4.333  -7.642   0.563
   68   HH12  ARG 759          HH22      ARG 759   2.747  -7.249   1.160
   69   HH21  ARG 759          HH11      ARG 759   2.008 -10.431   2.318
   70   HH22  ARG 759          HH12      ARG 759   1.457  -8.788   2.142
   71    H    GLU 760           H        GLU 760   6.511 -11.044  -2.798
   72    HA   GLU 760           HA       GLU 760   6.400 -13.890  -3.229
   73    HB2  GLU 760           HB2      GLU 760   4.775 -13.451  -4.939
   74    HB3  GLU 760           HB3      GLU 760   4.438 -12.510  -3.489
   75    HG2  GLU 760           HG2      GLU 760   5.612 -10.541  -4.702
   76    HG3  GLU 760           HG3      GLU 760   5.452 -11.517  -6.177
   77    H    GLN 761           H        GLN 761   7.389 -15.150  -4.743
   78    HA   GLN 761           HA       GLN 761   9.652 -13.872  -6.225
   79    HB2  GLN 761           HB2      GLN 761  11.221 -15.267  -4.969
   80    HB3  GLN 761           HB3      GLN 761  10.332 -14.173  -3.930
   81    HG2  GLN 761           HG2      GLN 761   8.763 -16.137  -3.384
   82    HG3  GLN 761           HG3      GLN 761   9.902 -17.177  -4.231
   83   HE21  GLN 761          HE21      GLN 761   9.807 -14.658  -1.620
   84   HE22  GLN 761          HE22      GLN 761  10.960 -15.503  -0.590
   85    H    SER 762           H        SER 762  10.530 -14.969  -7.894
   86    HA   SER 762           HA       SER 762   8.900 -16.826  -9.230
   87    HB2  SER 762           HB2      SER 762  11.817 -16.177  -9.784
   88    HB3  SER 762           HB3      SER 762  10.642 -16.875 -10.912
   89    HG   SER 762           HG       SER 762  10.902 -14.588 -11.214
   90    H    CYS 763           H        CYS 763   9.060 -18.981  -9.730
   91    HA   CYS 763           HA       CYS 763  11.102 -20.738  -8.469
   92    HB2  CYS 763           HB2      CYS 763   9.328 -20.151  -6.758
   93    HB3  CYS 763           HB3      CYS 763   8.119 -20.903  -7.819
   94    HG   CYS 763           HG       CYS 763   9.026 -23.304  -7.741
   95    H    ARG 764           H        ARG 764  10.857 -22.989  -9.127
   96    HA   ARG 764           HA       ARG 764   9.708 -23.317 -11.822
   97    HB2  ARG 764           HB2      ARG 764  11.945 -24.364 -11.013
   98    HB3  ARG 764           HB3      ARG 764  10.921 -25.567 -10.202
   99    HG2  ARG 764           HG2      ARG 764   9.829 -26.016 -12.464
  100    HG3  ARG 764           HG3      ARG 764  10.933 -24.835 -13.169
  101    HD2  ARG 764           HD2      ARG 764  11.871 -26.916 -13.671
  102    HD3  ARG 764           HD3      ARG 764  12.868 -26.270 -12.361
  103    HE   ARG 764           HE       ARG 764  10.774 -27.894 -11.259
  104   HH11  ARG 764          HH11      ARG 764  13.771 -28.321 -13.078
  105   HH12  ARG 764          HH12      ARG 764  13.942 -29.982 -12.584
  106   HH21  ARG 764          HH21      ARG 764  10.996 -30.053 -10.729
  107   HH22  ARG 764          HH22      ARG 764  12.404 -30.931 -11.244
  108    H    VAL 765           H        VAL 765   7.915 -24.511 -12.263
  109    HA   VAL 765           HA       VAL 765   6.172 -25.583 -10.099
  110    HB   VAL 765           HB       VAL 765   4.260 -24.290 -10.979
  111   HG11  VAL 765          HG11      VAL 765   6.517 -22.480 -10.027
  112   HG12  VAL 765          HG12      VAL 765   4.790 -22.138  -9.967
  113   HG13  VAL 765          HG13      VAL 765   5.470 -23.469  -8.991
  114   HG21  VAL 765          HG21      VAL 765   4.541 -22.359 -12.429
  115   HG22  VAL 765          HG22      VAL 765   6.292 -22.628 -12.515
  116   HG23  VAL 765          HG23      VAL 765   5.183 -23.798 -13.253
  117    H    VAL 766           H        VAL 766   4.127 -26.565 -11.126
  118    HA   VAL 766           HA       VAL 766   4.688 -27.802 -13.774
  119    HB   VAL 766           HB       VAL 766   5.951 -29.156 -12.253
  120   HG11  VAL 766          HG11      VAL 766   4.820 -28.697 -10.126
  121   HG12  VAL 766          HG12      VAL 766   3.414 -29.664 -10.649
  122   HG13  VAL 766          HG13      VAL 766   4.995 -30.417 -10.426
  123   HG21  VAL 766          HG21      VAL 766   4.786 -30.350 -14.078
  124   HG22  VAL 766          HG22      VAL 766   5.069 -31.369 -12.654
  125   HG23  VAL 766          HG23      VAL 766   3.454 -30.732 -12.966
  126    H    THR 767           H        THR 767   2.982 -28.530 -14.881
  127    HA   THR 767           HA       THR 767   0.282 -28.601 -13.578
  128    HB   THR 767           HB       THR 767   1.008 -28.026 -16.467
  129    HG1  THR 767           HG1      THR 767   0.382 -25.980 -15.965
  130   HG21  THR 767          HG21      THR 767  -1.170 -29.208 -16.335
  131   HG22  THR 767          HG22      THR 767  -1.411 -27.501 -16.725
  132   HG23  THR 767          HG23      THR 767  -1.712 -28.087 -15.077
  133    H    CYS 768           H        CYS 768  -0.470 -30.591 -13.311
  134    HA   CYS 768           HA       CYS 768   0.417 -32.887 -14.960
  135    HB2  CYS 768           HB2      CYS 768   0.035 -33.183 -12.523
  136    HB3  CYS 768           HB3      CYS 768  -1.639 -32.672 -12.725
  137    H    LYS 769           H        LYS 769  -0.561 -33.417 -16.805
  138    HA   LYS 769           HA       LYS 769  -2.827 -31.812 -17.773
  139    HB2  LYS 769           HB2      LYS 769  -1.207 -34.046 -19.083
  140    HB3  LYS 769           HB3      LYS 769  -2.378 -33.012 -19.905
  141    HG2  LYS 769           HG2      LYS 769   0.239 -32.080 -18.637
  142    HG3  LYS 769           HG3      LYS 769  -0.079 -32.315 -20.357
  143    HD2  LYS 769           HD2      LYS 769  -1.850 -30.556 -20.256
  144    HD3  LYS 769           HD3      LYS 769  -1.438 -30.262 -18.557
  145    HE2  LYS 769           HE2      LYS 769   0.846 -29.633 -19.166
  146    HE3  LYS 769           HE3      LYS 769   0.562 -30.073 -20.855
  147    HZ1  LYS 769           HZ1      LYS 769  -0.824 -27.879 -19.418
  148    HZ2  LYS 769           HZ2      LYS 769  -1.056 -28.279 -20.987
  149    HZ3  LYS 769           HZ3      LYS 769   0.381 -27.681 -20.512
  150    H    THR 770           H        THR 770  -2.486 -34.912 -16.295
  151    HA   THR 770           HA       THR 770  -4.999 -36.050 -17.313
  152    HB   THR 770           HB       THR 770  -3.225 -36.920 -14.999
  153    HG1  THR 770           HG1      THR 770  -2.557 -38.446 -16.636
  154   HG21  THR 770          HG21      THR 770  -4.303 -39.132 -15.348
  155   HG22  THR 770          HG22      THR 770  -5.422 -38.399 -16.522
  156   HG23  THR 770          HG23      THR 770  -5.465 -37.927 -14.816
  157    H    CYS 771           H        CYS 771  -3.930 -34.594 -14.215
  158    HA   CYS 771           HA       CYS 771  -6.685 -34.651 -13.153
  159    HB2  CYS 771           HB2      CYS 771  -4.059 -33.714 -11.967
  160    HB3  CYS 771           HB3      CYS 771  -5.566 -33.920 -11.077
  161    H    LYS 772           H        LYS 772  -4.496 -32.340 -14.572
  162    HA   LYS 772           HA       LYS 772  -4.860 -30.348 -15.537
  163    HB2  LYS 772           HB2      LYS 772  -7.739 -30.571 -14.595
  164    HB3  LYS 772           HB3      LYS 772  -7.134 -29.457 -15.807
  165    HG2  LYS 772           HG2      LYS 772  -7.004 -31.011 -17.452
  166    HG3  LYS 772           HG3      LYS 772  -6.475 -32.315 -16.401
  167    HD2  LYS 772           HD2      LYS 772  -8.770 -32.506 -15.464
  168    HD3  LYS 772           HD3      LYS 772  -9.338 -31.299 -16.628
  169    HE2  LYS 772           HE2      LYS 772  -8.015 -33.971 -17.324
  170    HE3  LYS 772           HE3      LYS 772  -9.760 -33.681 -17.319
  171    HZ1  LYS 772           HZ1      LYS 772  -9.445 -32.041 -19.058
  172    HZ2  LYS 772           HZ2      LYS 772  -8.878 -33.499 -19.540
  173    HZ3  LYS 772           HZ3      LYS 772  -7.829 -32.322 -19.099
  174    H    TYR 773           H        TYR 773  -4.053 -30.537 -12.662
  175    HA   TYR 773           HA       TYR 773  -4.704 -27.759 -11.742
  176    HB2  TYR 773           HB2      TYR 773  -4.167 -28.400  -9.547
  177    HB3  TYR 773           HB3      TYR 773  -5.226 -29.641 -10.169
  178    HD1  TYR 773           HD2      TYR 773  -1.739 -28.840  -9.186
  179    HD2  TYR 773           HD1      TYR 773  -4.435 -31.931 -10.496
  180    HE1  TYR 773           HE2      TYR 773  -0.020 -30.562  -8.628
  181    HE2  TYR 773           HE1      TYR 773  -2.766 -33.661  -9.869
  182    HH   TYR 773           HH       TYR 773  -0.582 -34.058  -9.150
  183    H    THR 774           H        THR 774  -3.008 -26.451 -10.903
  184    HA   THR 774           HA       THR 774  -0.235 -27.040 -11.884
  185    HB   THR 774           HB       THR 774  -1.527 -24.303 -11.641
  186    HG1  THR 774           HG1      THR 774  -0.844 -25.736 -13.997
  187   HG21  THR 774          HG21      THR 774   0.899 -24.183 -11.401
  188   HG22  THR 774          HG22      THR 774   0.438 -23.584 -12.996
  189   HG23  THR 774          HG23      THR 774   1.132 -25.212 -12.828
  190    H    HIS 775           H        HIS 775   1.316 -26.950 -10.357
  191    HA   HIS 775           HA       HIS 775   1.140 -25.412  -7.904
  192    HB2  HIS 775           HB2      HIS 775   0.239 -28.210  -7.920
  193    HB3  HIS 775           HB3      HIS 775   1.556 -27.976  -6.809
  194    HD1  HIS 775           HD1      HIS 775   1.121 -26.082  -4.805
  195    HD2  HIS 775           HD2      HIS 775  -2.133 -27.233  -7.219
  196    HE1  HIS 775           HE1      HIS 775  -0.974 -25.278  -3.611
  197    H    PHE 776           H        PHE 776   3.091 -26.389  -6.371
  198    HA   PHE 776           HA       PHE 776   5.452 -25.601  -7.783
  199    HB2  PHE 776           HB2      PHE 776   5.522 -27.007  -5.123
  200    HB3  PHE 776           HB3      PHE 776   6.484 -25.655  -5.674
  201    HD1  PHE 776           HD2      PHE 776   5.193 -23.364  -6.010
  202    HD2  PHE 776           HD1      PHE 776   3.676 -26.687  -3.711
  203    HE1  PHE 776           HE2      PHE 776   3.609 -21.850  -4.837
  204    HE2  PHE 776           HE1      PHE 776   2.120 -25.156  -2.525
  205    HZ   PHE 776           HZ       PHE 776   2.066 -22.748  -3.116
  206    H    LYS 777           H        LYS 777   4.133 -28.757  -7.001
  207    HA   LYS 777           HA       LYS 777   6.188 -30.235  -8.466
  208    HB2  LYS 777           HB2      LYS 777   6.856 -31.622  -6.561
  209    HB3  LYS 777           HB3      LYS 777   7.251 -29.931  -6.286
  210    HG2  LYS 777           HG2      LYS 777   5.190 -29.715  -4.850
  211    HG3  LYS 777           HG3      LYS 777   4.888 -31.448  -5.083
  212    HD2  LYS 777           HD2      LYS 777   7.079 -31.975  -4.076
  213    HD3  LYS 777           HD3      LYS 777   7.391 -30.239  -3.837
  214    HE2  LYS 777           HE2      LYS 777   5.377 -30.068  -2.386
  215    HE3  LYS 777           HE3      LYS 777   5.058 -31.787  -2.627
  216    HZ1  LYS 777           HZ1      LYS 777   6.240 -31.406  -0.549
  217    HZ2  LYS 777           HZ2      LYS 777   7.484 -30.691  -1.333
  218    HZ3  LYS 777           HZ3      LYS 777   7.172 -32.282  -1.564
  219    HA   PRO 778           HA       PRO 778   2.627 -32.934  -8.991
  220    HB2  PRO 778           HB2      PRO 778   3.705 -35.285  -9.777
  221    HB3  PRO 778           HB3      PRO 778   3.821 -33.820 -10.799
  222    HG2  PRO 778           HG2      PRO 778   5.915 -34.926  -8.887
  223    HG3  PRO 778           HG3      PRO 778   6.131 -34.398 -10.584
  224    HD2  PRO 778           HD2      PRO 778   6.686 -32.785  -8.455
  225    HD3  PRO 778           HD3      PRO 778   6.074 -32.164 -10.008
  226    H    LYS 779           H        LYS 779   1.487 -34.634  -7.923
  227    HA   LYS 779           HA       LYS 779   2.271 -35.139  -5.163
  228    HB2  LYS 779           HB2      LYS 779   0.010 -36.172  -6.916
  229    HB3  LYS 779           HB3      LYS 779   0.187 -36.604  -5.214
  230    HG2  LYS 779           HG2      LYS 779   0.065 -34.239  -4.539
  231    HG3  LYS 779           HG3      LYS 779  -0.143 -33.750  -6.229
  232    HD2  LYS 779           HD2      LYS 779  -2.028 -35.577  -4.661
  233    HD3  LYS 779           HD3      LYS 779  -2.281 -33.850  -4.959
  234    HE2  LYS 779           HE2      LYS 779  -2.318 -34.258  -7.396
  235    HE3  LYS 779           HE3      LYS 779  -2.073 -35.986  -7.119
  236    HZ1  LYS 779           HZ1      LYS 779  -4.200 -36.009  -5.905
  237    HZ2  LYS 779           HZ2      LYS 779  -4.410 -35.486  -7.438
  238    HZ3  LYS 779           HZ3      LYS 779  -4.423 -34.419  -6.202
  239    H    GLU 780           H        GLU 780   2.498 -37.236  -4.176
  240    HA   GLU 780           HA       GLU 780   4.372 -38.974  -5.464
  241    HB2  GLU 780           HB2      GLU 780   2.555 -39.499  -3.075
  242    HB3  GLU 780           HB3      GLU 780   3.923 -40.504  -3.543
  243    HG2  GLU 780           HG2      GLU 780   4.105 -37.593  -2.640
  244    HG3  GLU 780           HG3      GLU 780   4.440 -39.007  -1.648
  245    H    THR 781           H        THR 781   0.831 -39.086  -5.262
  246    HA   THR 781           HA       THR 781   0.468 -41.663  -6.524
  247    HB   THR 781           HB       THR 781  -1.831 -40.651  -7.044
  248    HG1  THR 781           HG1      THR 781  -2.278 -38.750  -5.907
  249   HG21  THR 781          HG21      THR 781  -2.565 -40.777  -4.697
  250   HG22  THR 781          HG22      THR 781  -0.878 -40.661  -4.139
  251   HG23  THR 781          HG23      THR 781  -1.432 -42.077  -5.070
  252    H    CYS 782           H        CYS 782   0.648 -38.312  -7.832
  253    HA   CYS 782           HA       CYS 782   0.194 -39.043 -10.545
  254    HB2  CYS 782           HB2      CYS 782   1.655 -36.662  -9.267
  255    HB3  CYS 782           HB3      CYS 782   1.281 -36.782 -10.979
  256    H    VAL 783           H        VAL 783   3.211 -38.739  -8.673
  257    HA   VAL 783           HA       VAL 783   4.983 -39.442 -10.847
  258    HB   VAL 783           HB       VAL 783   5.371 -39.614  -7.832
  259   HG11  VAL 783          HG11      VAL 783   6.985 -41.169  -8.873
  260   HG12  VAL 783          HG12      VAL 783   7.443 -39.936 -10.065
  261   HG13  VAL 783          HG13      VAL 783   7.820 -39.712  -8.336
  262   HG21  VAL 783          HG21      VAL 783   5.071 -37.307  -8.739
  263   HG22  VAL 783          HG22      VAL 783   6.713 -37.568  -8.158
  264   HG23  VAL 783          HG23      VAL 783   6.382 -37.604  -9.904
  265    H    SER 784           H        SER 784   3.490 -41.472  -8.233
  266    HA   SER 784           HA       SER 784   4.751 -43.906  -9.062
  267    HB2  SER 784           HB2      SER 784   3.860 -43.412  -6.806
  268    HB3  SER 784           HB3      SER 784   2.204 -43.522  -7.445
  269    HG   SER 784           HG       SER 784   2.923 -45.490  -6.490
  270    H    GLU 785           H        GLU 785   1.435 -42.648  -9.786
  271    HA   GLU 785           HA       GLU 785   0.845 -44.919 -11.542
  272    HB2  GLU 785           HB2      GLU 785  -0.650 -42.305 -11.038
  273    HB3  GLU 785           HB3      GLU 785  -1.260 -43.651 -11.998
  274    HG2  GLU 785           HG2      GLU 785  -0.613 -43.807  -9.020
  275    HG3  GLU 785           HG3      GLU 785  -2.213 -43.589  -9.714
  276    H    ASN 786           H        ASN 786   2.720 -42.175 -11.932
  277    HA   ASN 786           HA       ASN 786   3.912 -41.433 -13.626
  278    HB2  ASN 786           HB2      ASN 786   3.910 -44.029 -13.952
  279    HB3  ASN 786           HB3      ASN 786   2.987 -43.686 -15.415
  280   HD21  ASN 786          HD21      ASN 786   5.978 -42.856 -13.620
  281   HD22  ASN 786          HD22      ASN 786   6.954 -42.528 -15.049
  282    H    HIS 787           H        HIS 787   1.611 -40.058 -13.351
  283    HA   HIS 787           HA       HIS 787   0.116 -39.581 -15.764
  284    HB2  HIS 787           HB2      HIS 787   0.715 -37.786 -13.376
  285    HB3  HIS 787           HB3      HIS 787  -0.404 -37.391 -14.689
  286    HD2  HIS 787           HD2      HIS 787  -1.010 -40.965 -14.089
  287    HE1  HIS 787           HE1      HIS 787  -3.708 -39.080 -11.397
  288    HE2  HIS 787           HE2      HIS 787  -3.063 -41.282 -12.537
  289    H    ASP 788           H        ASP 788   0.250 -37.803 -17.216
  290    HA   ASP 788           HA       ASP 788   3.010 -36.994 -17.924
  291    HB2  ASP 788           HB2      ASP 788   0.326 -36.604 -19.298
  292    HB3  ASP 788           HB3      ASP 788   1.858 -35.970 -19.895
  293    H    PHE 789           H        PHE 789   3.854 -35.216 -17.048
  294    HA   PHE 789           HA       PHE 789   2.104 -32.855 -16.631
  295    HB2  PHE 789           HB2      PHE 789   4.130 -32.441 -14.827
  296    HB3  PHE 789           HB3      PHE 789   2.513 -32.915 -14.448
  297    HD1  PHE 789           HD1      PHE 789   6.014 -34.043 -14.682
  298    HD2  PHE 789           HD2      PHE 789   1.976 -35.151 -13.679
  299    HE1  PHE 789           HE1      PHE 789   6.872 -35.997 -13.408
  300    HE2  PHE 789           HE2      PHE 789   2.823 -37.097 -12.408
  301    HZ   PHE 789           HZ       PHE 789   5.277 -37.529 -12.266
  302    H    HIS 790           H        HIS 790   2.992 -30.858 -16.853
  303    HA   HIS 790           HA       HIS 790   5.547 -30.654 -18.453
  304    HB2  HIS 790           HB2      HIS 790   2.982 -29.023 -18.566
  305    HB3  HIS 790           HB3      HIS 790   4.509 -28.491 -19.257
  306    HD1  HIS 790           HD1      HIS 790   4.285 -28.739 -21.798
  307    HD2  HIS 790           HD2      HIS 790   2.691 -31.972 -19.622
  308    HE1  HIS 790           HE1      HIS 790   3.497 -30.453 -23.525
  309    H    TRP 791           H        TRP 791   7.137 -29.838 -17.258
  310    HA   TRP 791           HA       TRP 791   6.672 -28.088 -14.936
  311    HB2  TRP 791           HB2      TRP 791   9.187 -29.199 -16.228
  312    HB3  TRP 791           HB3      TRP 791   9.194 -28.090 -14.869
  313    HD1  TRP 791           HD1      TRP 791   8.436 -31.717 -15.721
  314    HE1  TRP 791           HE1      TRP 791   8.403 -33.111 -13.569
  315    HE3  TRP 791           HE3      TRP 791   8.588 -27.912 -12.293
  316    HZ2  TRP 791           HZ2      TRP 791   8.537 -32.638 -10.722
  317    HZ3  TRP 791           HZ3      TRP 791   8.639 -28.404  -9.875
  318    HH2  TRP 791           HH2      TRP 791   8.642 -30.762  -9.066
  319    H    HIS 792           H        HIS 792   7.324 -25.951 -14.790
  320    HA   HIS 792           HA       HIS 792   8.652 -24.479 -16.892
  321    HB2  HIS 792           HB2      HIS 792   6.850 -23.004 -17.534
  322    HB3  HIS 792           HB3      HIS 792   6.382 -24.647 -17.888
  323    HD1  HIS 792           HD1      HIS 792   5.179 -21.627 -16.017
  324    HD2  HIS 792           HD2      HIS 792   4.514 -25.787 -16.059
  325    HE1  HIS 792           HE1      HIS 792   2.916 -22.005 -14.917
  326    H    ASN 793           H        ASN 793   8.250 -21.900 -16.238
  327    HA   ASN 793           HA       ASN 793   8.793 -21.730 -13.314
  328    HB2  ASN 793           HB2      ASN 793   9.501 -19.891 -15.624
  329    HB3  ASN 793           HB3      ASN 793   9.701 -19.466 -13.930
  330   HD21  ASN 793          HD21      ASN 793  10.972 -21.128 -12.549
  331   HD22  ASN 793          HD22      ASN 793  12.398 -21.801 -13.328
  332    H    GLY 794           H        GLY 794   7.825 -20.266 -12.015
  333    HA2  GLY 794           HA2      GLY 794   5.545 -18.579 -12.864
  334    HA3  GLY 794           HA3      GLY 794   5.186 -19.928 -11.798
  335    H    VAL 795           H        VAL 795   4.505 -18.353 -10.223
  336    HA   VAL 795           HA       VAL 795   6.679 -17.465  -8.450
  337    HB   VAL 795           HB       VAL 795   6.467 -15.508  -9.825
  338   HG11  VAL 795          HG11      VAL 795   3.485 -15.473  -9.204
  339   HG12  VAL 795          HG12      VAL 795   4.392 -14.212 -10.063
  340   HG13  VAL 795          HG13      VAL 795   4.230 -15.819 -10.786
  341   HG21  VAL 795          HG21      VAL 795   4.962 -14.867  -7.252
  342   HG22  VAL 795          HG22      VAL 795   6.689 -15.204  -7.334
  343   HG23  VAL 795          HG23      VAL 795   6.038 -13.804  -8.188
  344    H    LYS 796           H        LYS 796   6.150 -17.330  -6.339
  345    HA   LYS 796           HA       LYS 796   3.429 -18.287  -5.552
  346    HB2  LYS 796           HB2      LYS 796   4.473 -19.775  -4.009
  347    HB3  LYS 796           HB3      LYS 796   5.293 -19.961  -5.556
  348    HG2  LYS 796           HG2      LYS 796   6.949 -18.092  -4.508
  349    HG3  LYS 796           HG3      LYS 796   6.306 -18.717  -2.995
  350    HD2  LYS 796           HD2      LYS 796   7.630 -20.306  -5.213
  351    HD3  LYS 796           HD3      LYS 796   8.434 -19.781  -3.724
  352    HE2  LYS 796           HE2      LYS 796   6.826 -21.147  -2.387
  353    HE3  LYS 796           HE3      LYS 796   6.042 -21.697  -3.874
  354    HZ1  LYS 796           HZ1      LYS 796   8.132 -22.746  -4.517
  355    HZ2  LYS 796           HZ2      LYS 796   7.660 -23.315  -3.056
  356    HZ3  LYS 796           HZ3      LYS 796   8.862 -22.223  -3.155
  357    H    ARG 797           H        ARG 797   2.644 -17.787  -3.505
  358    HA   ARG 797           HA       ARG 797   3.830 -15.504  -2.008
  359    HB2  ARG 797           HB2      ARG 797   1.073 -15.156  -1.744
  360    HB3  ARG 797           HB3      ARG 797   2.187 -14.122  -2.591
  361    HG2  ARG 797           HG2      ARG 797   0.825 -16.439  -4.016
  362    HG3  ARG 797           HG3      ARG 797   0.011 -14.891  -3.750
  363    HD2  ARG 797           HD2      ARG 797   1.546 -13.665  -5.011
  364    HD3  ARG 797           HD3      ARG 797   2.706 -14.983  -5.116
  365    HE   ARG 797           HE       ARG 797   0.596 -16.119  -6.347
  366   HH11  ARG 797          HH11      ARG 797   1.983 -12.875  -6.864
  367   HH12  ARG 797          HH12      ARG 797   1.569 -12.904  -8.552
  368   HH21  ARG 797          HH21      ARG 797   0.210 -16.098  -8.527
  369   HH22  ARG 797          HH22      ARG 797   0.531 -14.665  -9.470
  370    H    PHE 798           H        PHE 798   3.099 -15.311   0.159
  371    HA   PHE 798           HA       PHE 798   2.726 -17.997   1.417
  372    HB2  PHE 798           HB2      PHE 798   4.221 -15.591   2.512
  373    HB3  PHE 798           HB3      PHE 798   4.314 -17.260   3.062
  374    HD1  PHE 798           HD2      PHE 798   5.077 -18.989   1.166
  375    HD2  PHE 798           HD1      PHE 798   5.915 -14.766   1.065
  376    HE1  PHE 798           HE2      PHE 798   6.868 -19.394  -0.501
  377    HE2  PHE 798           HE1      PHE 798   7.689 -15.167  -0.612
  378    HZ   PHE 798           HZ       PHE 798   8.178 -17.481  -1.397
  379    H    PHE 799           H        PHE 799   1.306 -18.276   3.104
  380    HA   PHE 799           HA       PHE 799  -0.316 -15.934   3.974
  381    HB2  PHE 799           HB2      PHE 799  -1.378 -18.632   3.095
  382    HB3  PHE 799           HB3      PHE 799  -2.328 -17.259   3.657
  383    HD1  PHE 799           HD1      PHE 799  -0.263 -18.571   0.857
  384    HD2  PHE 799           HD2      PHE 799  -2.842 -15.385   2.198
  385    HE1  PHE 799           HE1      PHE 799  -0.371 -17.679  -1.455
  386    HE2  PHE 799           HE2      PHE 799  -2.948 -14.505  -0.114
  387    HZ   PHE 799           HZ       PHE 799  -1.712 -15.650  -1.950
  388    H    LYS 800           H        LYS 800  -1.360 -16.062   5.902
  389    HA   LYS 800           HA       LYS 800  -0.719 -18.295   7.787
  390    HB2  LYS 800           HB2      LYS 800   0.780 -16.398   8.207
  391    HB3  LYS 800           HB3      LYS 800  -0.599 -15.287   8.245
  392    HG2  LYS 800           HG2      LYS 800  -1.473 -16.375  10.243
  393    HG3  LYS 800           HG3      LYS 800  -0.130 -17.549  10.237
  394    HD2  LYS 800           HD2      LYS 800   1.445 -15.604  10.518
  395    HD3  LYS 800           HD3      LYS 800   0.058 -14.519  10.616
  396    HE2  LYS 800           HE2      LYS 800   0.654 -16.847  12.514
  397    HE3  LYS 800           HE3      LYS 800   0.927 -15.130  12.854
  398    HZ1  LYS 800           HZ1      LYS 800  -1.146 -15.858  13.828
  399    HZ2  LYS 800           HZ2      LYS 800  -1.733 -16.371  12.395
  400    HZ3  LYS 800           HZ3      LYS 800  -1.467 -14.767  12.655
  401    H    CYS 801           H        CYS 801  -2.250 -18.846   9.222
  402    HA   CYS 801           HA       CYS 801  -5.023 -17.788   8.988
  403    HB2  CYS 801           HB2      CYS 801  -4.466 -20.230   8.671
  404    HB3  CYS 801           HB3      CYS 801  -3.840 -20.265  10.325
  405    HA   PRO 802           HA       PRO 802  -4.613 -15.670  12.926
  406    HB2  PRO 802           HB2      PRO 802  -7.129 -16.167  14.095
  407    HB3  PRO 802           HB3      PRO 802  -6.710 -14.867  12.950
  408    HG2  PRO 802           HG2      PRO 802  -7.919 -17.573  12.356
  409    HG3  PRO 802           HG3      PRO 802  -8.402 -15.965  11.714
  410    HD2  PRO 802           HD2      PRO 802  -6.886 -17.560  10.206
  411    HD3  PRO 802           HD3      PRO 802  -6.449 -15.837  10.347
  412    H    CYS 803           H        CYS 803  -5.424 -19.157  13.043
  413    HA   CYS 803           HA       CYS 803  -4.793 -19.394  15.873
  414    HB2  CYS 803           HB2      CYS 803  -5.091 -21.725  15.586
  415    HB3  CYS 803           HB3      CYS 803  -6.362 -20.917  14.676
  416    H    GLY 804           H        GLY 804  -2.835 -18.985  13.132
  417    HA2  GLY 804           HA2      GLY 804  -0.461 -18.576  13.374
  418    HA3  GLY 804           HA3      GLY 804  -0.347 -19.912  14.536
  419    H    ASN 805           H        ASN 805  -2.240 -21.389  12.417
  420    HA   ASN 805           HA       ASN 805  -0.209 -22.873  11.125
  421    HB2  ASN 805           HB2      ASN 805  -2.546 -23.625  11.612
  422    HB3  ASN 805           HB3      ASN 805  -3.117 -22.585  10.301
  423   HD21  ASN 805          HD21      ASN 805  -3.977 -24.457   9.194
  424   HD22  ASN 805          HD22      ASN 805  -2.861 -25.551   8.343
  425    H    ARG 806           H        ARG 806   0.242 -23.095   8.815
  426    HA   ARG 806           HA       ARG 806   0.220 -20.500   7.314
  427    HB2  ARG 806           HB2      ARG 806   2.564 -22.405   7.621
  428    HB3  ARG 806           HB3      ARG 806   2.572 -20.877   6.746
  429    HG2  ARG 806           HG2      ARG 806   2.248 -21.220   9.758
  430    HG3  ARG 806           HG3      ARG 806   3.718 -20.726   8.917
  431    HD2  ARG 806           HD2      ARG 806   2.639 -18.674   8.126
  432    HD3  ARG 806           HD3      ARG 806   1.122 -19.153   8.894
  433    HE   ARG 806           HE       ARG 806   2.214 -19.079  11.071
  434   HH11  ARG 806          HH11      ARG 806   3.889 -17.232   8.529
  435   HH12  ARG 806          HH12      ARG 806   4.766 -16.283   9.692
  436   HH21  ARG 806          HH21      ARG 806   3.379 -17.816  12.487
  437   HH22  ARG 806          HH22      ARG 806   4.457 -16.591  11.885
  438    H    THR 807           H        THR 807   0.560 -20.641   5.050
  439    HA   THR 807           HA       THR 807   0.928 -23.148   3.694
  440    HB   THR 807           HB       THR 807  -1.563 -23.188   4.205
  441    HG1  THR 807           HG1      THR 807  -0.798 -24.518   2.670
  442   HG21  THR 807          HG21      THR 807  -3.057 -21.961   2.783
  443   HG22  THR 807          HG22      THR 807  -1.721 -21.153   1.946
  444   HG23  THR 807          HG23      THR 807  -2.049 -20.801   3.661
  445    H    ILE 808           H        ILE 808   0.547 -22.725   1.205
  446    HA   ILE 808           HA       ILE 808   1.758 -20.149   0.359
  447    HB   ILE 808           HB       ILE 808   2.984 -22.832  -0.393
  448   HG12  ILE 808          HG12      ILE 808   3.947 -20.864   1.722
  449   HG13  ILE 808          HG13      ILE 808   3.465 -22.544   1.962
  450   HG21  ILE 808          HG21      ILE 808   4.071 -20.015  -0.790
  451   HG22  ILE 808          HG22      ILE 808   4.770 -21.523  -1.403
  452   HG23  ILE 808          HG23      ILE 808   3.246 -20.952  -2.047
  453   HD11  ILE 808          HD11      ILE 808   5.841 -22.458   2.073
  454   HD12  ILE 808          HD12      ILE 808   5.416 -23.255   0.539
  455   HD13  ILE 808          HD13      ILE 808   5.973 -21.566   0.561
  456    H    SER 809           H        SER 809   1.227 -19.654  -1.831
  457    HA   SER 809           HA       SER 809  -0.159 -21.727  -3.449
  458    HB2  SER 809           HB2      SER 809  -1.940 -20.497  -2.164
  459    HB3  SER 809           HB3      SER 809  -1.425 -19.011  -2.977
  460    HG   SER 809           HG       SER 809  -2.649 -21.333  -4.059
  461    H    LEU 810           H        LEU 810  -0.302 -21.245  -5.671
  462    HA   LEU 810           HA       LEU 810   1.642 -19.286  -6.775
  463    HB2  LEU 810           HB2      LEU 810  -0.131 -21.387  -8.086
  464    HB3  LEU 810           HB3      LEU 810   0.966 -20.310  -8.945
  465    HG   LEU 810           HG       LEU 810   1.790 -22.496  -6.976
  466   HD11  LEU 810          HD11      LEU 810   2.757 -23.554  -8.930
  467   HD12  LEU 810          HD12      LEU 810   2.157 -22.248  -9.979
  468   HD13  LEU 810          HD13      LEU 810   1.012 -23.318  -9.140
  469   HD21  LEU 810          HD21      LEU 810   3.367 -20.585  -6.815
  470   HD22  LEU 810          HD22      LEU 810   3.531 -20.581  -8.583
  471   HD23  LEU 810          HD23      LEU 810   4.106 -21.966  -7.621
  472    H    ASP 811           H        ASP 811  -1.676 -19.342  -5.874
  473    HA   ASP 811           HA       ASP 811  -2.317 -17.065  -7.699
  474    HB2  ASP 811           HB2      ASP 811  -3.835 -19.111  -7.575
  475    HB3  ASP 811           HB3      ASP 811  -4.177 -18.653  -5.909
  476    H    ARG 812           H        ARG 812  -3.742 -15.379  -6.596
  477    HA   ARG 812           HA       ARG 812  -2.253 -14.119  -4.484
  478    HB2  ARG 812           HB2      ARG 812  -3.798 -12.332  -4.645
  479    HB3  ARG 812           HB3      ARG 812  -3.299 -12.866  -6.249
  480    HG2  ARG 812           HG2      ARG 812  -5.447 -13.931  -6.656
  481    HG3  ARG 812           HG3      ARG 812  -5.919 -13.749  -4.956
  482    HD2  ARG 812           HD2      ARG 812  -7.049 -12.037  -6.179
  483    HD3  ARG 812           HD3      ARG 812  -5.778 -11.294  -5.182
  484    HE   ARG 812           HE       ARG 812  -4.997 -11.921  -7.944
  485   HH11  ARG 812          HH11      ARG 812  -6.358  -9.369  -5.901
  486   HH12  ARG 812          HH12      ARG 812  -5.895  -8.121  -7.019
  487   HH21  ARG 812          HH21      ARG 812  -4.409 -10.262  -9.303
  488   HH22  ARG 812          HH22      ARG 812  -4.796  -8.617  -8.911
  489    H    LEU 813           H        LEU 813  -4.493 -16.581  -4.160
  490    HA   LEU 813           HA       LEU 813  -4.540 -16.348  -1.289
  491    HB2  LEU 813           HB2      LEU 813  -6.530 -14.898  -2.142
  492    HB3  LEU 813           HB3      LEU 813  -7.227 -16.402  -2.727
  493    HG   LEU 813           HG       LEU 813  -7.132 -17.254  -0.316
  494   HD11  LEU 813          HD11      LEU 813  -5.459 -15.595   0.581
  495   HD12  LEU 813          HD12      LEU 813  -6.998 -15.534   1.464
  496   HD13  LEU 813          HD13      LEU 813  -6.606 -14.289   0.263
  497   HD21  LEU 813          HD21      LEU 813  -9.148 -15.958   0.341
  498   HD22  LEU 813          HD22      LEU 813  -9.207 -16.472  -1.351
  499   HD23  LEU 813          HD23      LEU 813  -8.815 -14.785  -0.947
  500    HA   PRO 814           HA       PRO 814  -4.353 -20.723  -2.242
  501    HB2  PRO 814           HB2      PRO 814  -4.627 -21.865   0.248
  502    HB3  PRO 814           HB3      PRO 814  -3.159 -20.987  -0.270
  503    HG2  PRO 814           HG2      PRO 814  -5.513 -19.901   1.292
  504    HG3  PRO 814           HG3      PRO 814  -3.775 -19.756   1.710
  505    HD2  PRO 814           HD2      PRO 814  -5.058 -17.763   0.474
  506    HD3  PRO 814           HD3      PRO 814  -3.406 -18.203  -0.044
  507    H    LYS 815           H        LYS 815  -5.645 -22.584  -2.423
  508    HA   LYS 815           HA       LYS 815  -8.507 -22.006  -2.595
  509    HB2  LYS 815           HB2      LYS 815  -8.619 -23.769  -4.092
  510    HB3  LYS 815           HB3      LYS 815  -7.059 -23.042  -4.418
  511    HG2  LYS 815           HG2      LYS 815  -7.584 -25.631  -2.890
  512    HG3  LYS 815           HG3      LYS 815  -7.013 -25.480  -4.553
  513    HD2  LYS 815           HD2      LYS 815  -4.889 -24.474  -3.744
  514    HD3  LYS 815           HD3      LYS 815  -5.466 -24.618  -2.076
  515    HE2  LYS 815           HE2      LYS 815  -4.071 -26.475  -2.360
  516    HE3  LYS 815           HE3      LYS 815  -5.720 -27.100  -2.422
  517    HZ1  LYS 815           HZ1      LYS 815  -5.476 -27.079  -4.901
  518    HZ2  LYS 815           HZ2      LYS 815  -4.392 -28.058  -4.176
  519    HZ3  LYS 815           HZ3      LYS 815  -3.913 -26.605  -4.728
  520    H    LYS 816           H        LYS 816  -6.614 -23.580  -0.269
  521    HA   LYS 816           HA       LYS 816  -8.711 -25.561   0.462
  522    HB2  LYS 816           HB2      LYS 816  -6.871 -26.809   1.487
  523    HB3  LYS 816           HB3      LYS 816  -6.622 -26.476  -0.208
  524    HG2  LYS 816           HG2      LYS 816  -4.506 -26.084   0.552
  525    HG3  LYS 816           HG3      LYS 816  -5.142 -24.451   0.613
  526    HD2  LYS 816           HD2      LYS 816  -3.921 -24.770   2.621
  527    HD3  LYS 816           HD3      LYS 816  -5.617 -24.843   3.091
  528    HE2  LYS 816           HE2      LYS 816  -5.405 -27.411   2.866
  529    HE3  LYS 816           HE3      LYS 816  -3.662 -27.155   2.698
  530    HZ1  LYS 816           HZ1      LYS 816  -3.759 -26.036   4.895
  531    HZ2  LYS 816           HZ2      LYS 816  -4.272 -27.586   5.017
  532    HZ3  LYS 816           HZ3      LYS 816  -5.374 -26.386   4.994
  533    H    HIS 817           H        HIS 817  -9.243 -26.020   2.639
  534    HA   HIS 817           HA       HIS 817  -9.319 -23.664   4.440
  535    HB2  HIS 817           HB2      HIS 817 -10.546 -26.447   4.546
  536    HB3  HIS 817           HB3      HIS 817 -10.652 -25.289   5.860
  537    HD1  HIS 817           HD1      HIS 817 -11.307 -24.526   2.071
  538    HD2  HIS 817           HD2      HIS 817 -13.122 -24.566   5.865
  539    HE1  HIS 817           HE1      HIS 817 -13.621 -23.519   1.761
  540    H    CYS 818           H        CYS 818  -8.789 -23.964   6.764
  541    HA   CYS 818           HA       CYS 818  -6.054 -24.554   7.099
  542    HB2  CYS 818           HB2      CYS 818  -7.352 -22.896   8.327
  543    HB3  CYS 818           HB3      CYS 818  -8.275 -24.165   9.139
  544    H    SER 819           H        SER 819  -4.924 -26.196   7.955
  545    HA   SER 819           HA       SER 819  -6.093 -28.887   8.208
  546    HB2  SER 819           HB2      SER 819  -3.264 -27.945   8.792
  547    HB3  SER 819           HB3      SER 819  -3.807 -29.607   8.523
  548    HG   SER 819           HG       SER 819  -2.862 -28.799   6.643
  549    H    THR 820           H        THR 820  -5.517 -26.250  10.376
  550    HA   THR 820           HA       THR 820  -5.093 -28.029  12.742
  551    HB   THR 820           HB       THR 820  -4.454 -25.089  12.273
  552    HG1  THR 820           HG1      THR 820  -2.299 -26.039  12.402
  553   HG21  THR 820          HG21      THR 820  -4.826 -25.428  14.679
  554   HG22  THR 820          HG22      THR 820  -3.094 -25.285  14.346
  555   HG23  THR 820          HG23      THR 820  -3.804 -26.891  14.651
  556    H    CYS 821           H        CYS 821  -7.231 -25.416  11.588
  557    HA   CYS 821           HA       CYS 821  -9.052 -26.096  13.853
  558    HB2  CYS 821           HB2      CYS 821  -9.626 -23.839  14.201
  559    HB3  CYS 821           HB3      CYS 821  -7.871 -23.995  14.335
  560    H    GLY 822           H        GLY 822  -8.839 -25.706  10.469
  561    HA2  GLY 822           HA2      GLY 822 -10.284 -26.836   9.037
  562    HA3  GLY 822           HA3      GLY 822 -11.527 -26.868  10.298
  563    H    LEU 823           H        LEU 823 -10.749 -23.674  10.114
  564    HA   LEU 823           HA       LEU 823 -12.995 -23.100   8.254
  565    HB2  LEU 823           HB2      LEU 823 -12.996 -20.866   9.270
  566    HB3  LEU 823           HB3      LEU 823 -13.232 -22.174  10.399
  567    HG   LEU 823           HG       LEU 823 -11.038 -21.940  11.332
  568   HD11  LEU 823          HD11      LEU 823  -9.630 -21.280   9.465
  569   HD12  LEU 823          HD12      LEU 823  -9.553 -20.000  10.684
  570   HD13  LEU 823          HD13      LEU 823 -10.553 -19.787   9.234
  571   HD21  LEU 823          HD21      LEU 823 -12.860 -20.520  12.186
  572   HD22  LEU 823          HD22      LEU 823 -12.417 -19.237  11.040
  573   HD23  LEU 823          HD23      LEU 823 -11.296 -19.700  12.337
  574    H    PHE 824           H        PHE 824 -12.508 -20.622   7.359
  575    HA   PHE 824           HA       PHE 824 -10.005 -20.704   5.744
  576    HB2  PHE 824           HB2      PHE 824 -11.960 -21.640   4.469
  577    HB3  PHE 824           HB3      PHE 824 -12.787 -20.105   4.648
  578    HD1  PHE 824           HD1      PHE 824 -10.034 -21.923   3.002
  579    HD2  PHE 824           HD2      PHE 824 -12.056 -18.131   3.328
  580    HE1  PHE 824           HE1      PHE 824  -8.941 -21.167   0.907
  581    HE2  PHE 824           HE2      PHE 824 -10.967 -17.374   1.236
  582    HZ   PHE 824           HZ       PHE 824  -9.411 -18.895   0.013
  583    H    LYS 825           H        LYS 825  -9.036 -19.109   6.923
  584    HA   LYS 825           HA       LYS 825 -10.057 -16.329   6.667
  585    HB2  LYS 825           HB2      LYS 825  -9.228 -17.698   9.267
  586    HB3  LYS 825           HB3      LYS 825  -9.371 -15.954   9.104
  587    HG2  LYS 825           HG2      LYS 825 -11.702 -17.872   8.741
  588    HG3  LYS 825           HG3      LYS 825 -11.296 -16.987  10.209
  589    HD2  LYS 825           HD2      LYS 825 -11.632 -14.831   8.999
  590    HD3  LYS 825           HD3      LYS 825 -12.004 -15.730   7.527
  591    HE2  LYS 825           HE2      LYS 825 -14.093 -15.099   8.441
  592    HE3  LYS 825           HE3      LYS 825 -13.927 -16.834   8.699
  593    HZ1  LYS 825           HZ1      LYS 825 -13.444 -14.731  10.747
  594    HZ2  LYS 825           HZ2      LYS 825 -13.288 -16.340  11.006
  595    HZ3  LYS 825           HZ3      LYS 825 -14.755 -15.704  10.676
  596    H    TRP 826           H        TRP 826  -8.016 -17.736   5.192
  597    HA   TRP 826           HA       TRP 826  -5.386 -17.175   6.077
  598    HB2  TRP 826           HB2      TRP 826  -6.496 -17.373   3.260
  599    HB3  TRP 826           HB3      TRP 826  -4.790 -17.380   3.669
  600    HD1  TRP 826           HD1      TRP 826  -7.541 -19.651   3.018
  601    HE1  TRP 826           HE1      TRP 826  -6.933 -22.063   3.603
  602    HE3  TRP 826           HE3      TRP 826  -3.369 -18.761   5.831
  603    HZ2  TRP 826           HZ2      TRP 826  -5.017 -23.433   5.306
  604    HZ3  TRP 826           HZ3      TRP 826  -2.180 -20.624   6.950
  605    HH2  TRP 826           HH2      TRP 826  -2.981 -22.968   6.689
  606    H    GLU 827           H        GLU 827  -4.019 -15.529   5.947
  607    HA   GLU 827           HA       GLU 827  -4.747 -13.014   4.499
  608    HB2  GLU 827           HB2      GLU 827  -5.079 -12.806   6.967
  609    HB3  GLU 827           HB3      GLU 827  -3.418 -13.312   7.236
  610    HG2  GLU 827           HG2      GLU 827  -3.552 -10.915   7.473
  611    HG3  GLU 827           HG3      GLU 827  -2.620 -11.278   6.038
  612    H    ARG 828           H        ARG 828  -3.052 -12.173   3.267
  613    HA   ARG 828           HA       ARG 828  -0.773 -13.908   2.812
  614    HB2  ARG 828           HB2      ARG 828  -2.082 -12.479   1.097
  615    HB3  ARG 828           HB3      ARG 828  -1.088 -11.121   1.651
  616    HG2  ARG 828           HG2      ARG 828   0.971 -12.439   1.045
  617    HG3  ARG 828           HG3      ARG 828  -0.048 -13.809   0.608
  618    HD2  ARG 828           HD2      ARG 828   0.148 -13.017  -1.459
  619    HD3  ARG 828           HD3      ARG 828  -1.182 -11.953  -1.009
  620    HE   ARG 828           HE       ARG 828   0.938 -10.444  -0.276
  621   HH11  ARG 828          HH11      ARG 828   0.324 -12.120  -3.332
  622   HH12  ARG 828          HH12      ARG 828   1.515 -11.176  -4.191
  623   HH21  ARG 828          HH21      ARG 828   2.384  -9.194  -1.502
  624   HH22  ARG 828          HH22      ARG 828   2.574  -9.551  -3.215
  625    H    VAL 829           H        VAL 829   1.279 -13.699   3.482
  626    HA   VAL 829           HA       VAL 829   1.989 -11.456   5.362
  627    HB   VAL 829           HB       VAL 829   3.308 -13.093   6.692
  628   HG11  VAL 829          HG11      VAL 829   1.449 -13.949   7.941
  629   HG12  VAL 829          HG12      VAL 829   1.063 -12.315   7.386
  630   HG13  VAL 829          HG13      VAL 829   0.347 -13.721   6.569
  631   HG21  VAL 829          HG21      VAL 829   1.782 -15.270   5.208
  632   HG22  VAL 829          HG22      VAL 829   3.509 -14.913   4.968
  633   HG23  VAL 829          HG23      VAL 829   2.930 -15.479   6.541
  634    H    GLY 830           H        GLY 830   4.489 -11.603   5.871
  635    HA2  GLY 830           HA2      GLY 830   5.852 -10.896   3.410
  636    HA3  GLY 830           HA3      GLY 830   6.493 -10.852   5.067
  637    H    MET 831           H        MET 831   8.401 -11.491   3.817
  638    HA   MET 831           HA       MET 831   8.484 -14.083   2.586
  639    HB2  MET 831           HB2      MET 831  10.026 -11.922   2.290
  640    HB3  MET 831           HB3      MET 831  11.012 -12.745   3.499
  641    HG2  MET 831           HG2      MET 831  10.768 -14.857   2.004
  642    HG3  MET 831           HG3      MET 831  10.065 -13.778   0.797
  643    HE1  MET 831           HE1      MET 831  13.120 -15.337   2.350
  644    HE2  MET 831           HE2      MET 831  14.439 -14.171   2.094
  645    HE3  MET 831           HE3      MET 831  13.156 -13.817   3.271
  646    H    LEU 832           H        LEU 832   8.565 -15.947   3.449
  647    HA   LEU 832           HA       LEU 832   8.871 -16.551   6.221
  648    HB2  LEU 832           HB2      LEU 832   8.558 -18.822   5.541
  649    HB3  LEU 832           HB3      LEU 832   7.446 -17.796   4.628
  650    HG   LEU 832           HG       LEU 832   9.971 -19.175   3.601
  651   HD11  LEU 832          HD11      LEU 832   7.011 -19.518   2.956
  652   HD12  LEU 832          HD12      LEU 832   7.994 -20.633   3.916
  653   HD13  LEU 832          HD13      LEU 832   8.343 -20.410   2.188
  654   HD21  LEU 832          HD21      LEU 832   8.124 -17.248   2.149
  655   HD22  LEU 832          HD22      LEU 832   9.220 -18.385   1.322
  656   HD23  LEU 832          HD23      LEU 832   9.888 -17.118   2.345
  657    H    LYS 833           H        LYS 833  10.343 -17.926   7.226
  658    HA   LYS 833           HA       LYS 833  12.856 -18.620   5.798
  659    HB2  LYS 833           HB2      LYS 833  14.083 -18.421   7.896
  660    HB3  LYS 833           HB3      LYS 833  13.386 -16.863   7.415
  661    HG2  LYS 833           HG2      LYS 833  11.520 -17.207   9.041
  662    HG3  LYS 833           HG3      LYS 833  12.214 -18.743   9.541
  663    HD2  LYS 833           HD2      LYS 833  13.495 -16.009   9.811
  664    HD3  LYS 833           HD3      LYS 833  12.726 -16.919  11.106
  665    HE2  LYS 833           HE2      LYS 833  15.267 -17.716   9.595
  666    HE3  LYS 833           HE3      LYS 833  15.163 -17.095  11.246
  667    HZ1  LYS 833           HZ1      LYS 833  14.125 -19.703  10.280
  668    HZ2  LYS 833           HZ2      LYS 833  13.832 -19.113  11.790
  669    HZ3  LYS 833           HZ3      LYS 833  15.356 -19.468  11.329
  670    H    GLU 834           H        GLU 834  13.507 -20.684   5.954
  671    HA   GLU 834           HA       GLU 834  11.951 -22.763   7.215
  672    HB2  GLU 834           HB2      GLU 834  14.856 -22.920   6.334
  673    HB3  GLU 834           HB3      GLU 834  13.719 -24.240   6.568
  674    HG2  GLU 834           HG2      GLU 834  13.559 -24.146   4.333
  675    HG3  GLU 834           HG3      GLU 834  12.348 -22.925   4.661
  676    H    LYS 835           H        LYS 835  13.069 -24.344   8.806
  677    HA   LYS 835           HA       LYS 835  13.934 -23.074  11.253
  678    HB2  LYS 835           HB2      LYS 835  13.988 -25.957  10.258
  679    HB3  LYS 835           HB3      LYS 835  14.337 -25.455  11.919
  680    HG2  LYS 835           HG2      LYS 835  12.088 -24.605  12.228
  681    HG3  LYS 835           HG3      LYS 835  11.669 -24.909  10.528
  682    HD2  LYS 835           HD2      LYS 835  11.939 -27.303  10.811
  683    HD3  LYS 835           HD3      LYS 835  12.518 -27.061  12.484
  684    HE2  LYS 835           HE2      LYS 835  10.336 -26.076  13.118
  685    HE3  LYS 835           HE3      LYS 835   9.758 -26.252  11.455
  686    HZ1  LYS 835           HZ1      LYS 835  10.487 -28.469  13.292
  687    HZ2  LYS 835           HZ2      LYS 835  10.042 -28.680  11.734
  688    HZ3  LYS 835           HZ3      LYS 835   8.969 -28.065  12.820
  689    H    THR 836           H        THR 836  15.982 -23.041  12.189
  690    HA   THR 836           HA       THR 836  18.265 -22.786  10.384
  691    HB   THR 836           HB       THR 836  19.457 -22.205  12.593
  692    HG1  THR 836           HG1      THR 836  18.049 -21.789  14.313
  693   HG21  THR 836          HG21      THR 836  18.443 -20.004  12.734
  694   HG22  THR 836          HG22      THR 836  16.987 -20.558  11.897
  695   HG23  THR 836          HG23      THR 836  18.545 -20.496  11.033
  696    H    GLY 837           H        GLY 837  20.372 -23.677  10.934
  697    HA2  GLY 837           HA2      GLY 837  20.478 -26.333  12.261
  698    HA3  GLY 837           HA3      GLY 837  20.815 -26.276  10.533
  699    HA   PRO 838           HA       PRO 838  24.751 -25.318  12.888
  700    HB2  PRO 838           HB2      PRO 838  26.203 -27.572  12.388
  701    HB3  PRO 838           HB3      PRO 838  24.934 -27.522  13.649
  702    HG2  PRO 838           HG2      PRO 838  24.679 -28.525  10.794
  703    HG3  PRO 838           HG3      PRO 838  24.223 -29.383  12.291
  704    HD2  PRO 838           HD2      PRO 838  22.414 -27.965  10.820
  705    HD3  PRO 838           HD3      PRO 838  22.330 -28.002  12.609
  706    H    LYS 839           H        LYS 839  23.862 -25.816   9.604
  707    HA   LYS 839           HA       LYS 839  26.379 -25.852   8.299
  708    HB2  LYS 839           HB2      LYS 839  23.663 -24.849   7.359
  709    HB3  LYS 839           HB3      LYS 839  25.060 -25.145   6.307
  710    HG2  LYS 839           HG2      LYS 839  25.076 -27.540   7.016
  711    HG3  LYS 839           HG3      LYS 839  23.597 -27.258   7.960
  712    HD2  LYS 839           HD2      LYS 839  23.871 -26.869   4.952
  713    HD3  LYS 839           HD3      LYS 839  23.171 -28.285   5.756
  714    HE2  LYS 839           HE2      LYS 839  21.435 -26.818   6.799
  715    HE3  LYS 839           HE3      LYS 839  22.096 -25.433   5.927
  716    HZ1  LYS 839           HZ1      LYS 839  20.972 -27.849   4.631
  717    HZ2  LYS 839           HZ2      LYS 839  21.556 -26.548   3.842
  718    HZ3  LYS 839           HZ3      LYS 839  20.215 -26.408   4.762
  719    H    LEU 840           H        LEU 840  27.605 -24.339   7.286
  720    HA   LEU 840           HA       LEU 840  27.756 -21.671   8.430
  721    HB2  LEU 840           HB2      LEU 840  29.708 -23.149   7.923
  722    HB3  LEU 840           HB3      LEU 840  29.344 -23.002   6.199
  723    HG   LEU 840           HG       LEU 840  29.841 -20.575   6.305
  724   HD11  LEU 840          HD11      LEU 840  30.603 -21.151   9.212
  725   HD12  LEU 840          HD12      LEU 840  29.280 -20.081   8.673
  726   HD13  LEU 840          HD13      LEU 840  30.969 -19.653   8.345
  727   HD21  LEU 840          HD21      LEU 840  32.280 -20.801   6.614
  728   HD22  LEU 840          HD22      LEU 840  31.625 -22.192   5.744
  729   HD23  LEU 840          HD23      LEU 840  32.036 -22.344   7.467
  730    H    GLY 841           H        GLY 841  27.630 -19.694   7.304
  731    HA2  GLY 841           HA2      GLY 841  25.637 -19.533   5.135
  732    HA3  GLY 841           HA3      GLY 841  26.368 -18.190   6.044
  733    H    GLY 842           H        GLY 842  26.365 -17.240   3.875
  734    HA2  GLY 842           HA2      GLY 842  29.005 -17.199   2.690
  735    HA3  GLY 842           HA3      GLY 842  27.859 -18.024   1.641