*HEADER    HYDROLASE                               04-APR-19   6OH1              
*TITLE     IGA1 PROTEASE G5 DOMAIN STRUCTURE                                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: IMMUNOGLOBULIN A1 PROTEASE;                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: G5 DOMAIN;                                                 
*COMPND   5 SYNONYM: IGA1 PROTEASE,IGA-SPECIFIC ZINC METALLOPROTEINASE;          
*COMPND   6 EC: 3.4.24.13;                                                       
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE;                       
*SOURCE   3 ORGANISM_TAXID: 1313;                                                
*SOURCE   4 GENE: IGA;                                                           
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562                                         
*KEYWDS    IGA1, PROTEASE, G5 DOMAIN, HYDROLASE                                  
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    8                                                                     
*AUTHOR    E.Z.EISENMESSER,Y.C.CHI,N.PAUKOVICH,J.S.REDZIC,J.T.RAHKOLA,E.N.JANOFF 
*REVDAT   1   26-FEB-20 6OH1    0                                                
# Restraints file 1: top10_changed.nrv
$ Aqua Version 3.2 DATA: NOE restraint error output
$ FILE: top10_changed_noe_pc.rvio CREATED: Sun Nov  4 11:00:01 2018

$ Distance values taken from: top10_changed_noe_pc.dval
$ IDENT: QCONVR conversion noe distance restraints from ../inputs/pg5_adjusted_v
$ TYPE: normal
$ DIST_COUNT: 472
$ Molecule data: top10_changed_explo_pc.set
$ Restraint data: top10_changed_noe_pc.drst
$ Info data: top10_changed_noe_pc.dinf
$ STRUC_COUNT: 10

$ EXPLAIN
$ NumUPPv: number of upper bound violations
$ MaxUPPv: largest upper bound violation
$ TotUPPv: total value of upper bound violations
$ Av1UPPv: average value of upper bound violations (calc. over violated bounds)
$ sd1UPPv: standard deviation of upper bound violations (calc. over violated bounds)
$ Av2UPPv: average value of upper bound violations (calc. over all restraints)
$ sd2UPPv: standard deviation of upper bound violations (calc. over all restraints)
$ ...LOWv: idem for lower bound violations
$ ...BIGv: idem for big upper and lower bound violations (i.e. abs. values >  0.40)
$ NRestr : number of restraints used in summation
$ END

$ DATA  GENERAL
$ LIST #RECORDS 3
NRestraints 472
NStructures 10
NResidues   84
$ END

$ DATA  DISTANCES
$ TABLE #RECORDS 472 #ITEMS 21
Chn Resnm Res Atom  Chn Resnm Res Atom  Type  LoBnd UpBnd Str_01 Str_02 Str_03 Str_04 Str_05 Str_06 Str_07 Str_08 Str_09 Str_10
_  GLU    59  HN    _  GLU    60  HN      2   0.     5.00   4.10   4.23   4.27   4.14   4.10   4.13   4.24   3.94   4.22   4.18
_  THR    82  HN    _  LYS    83  HN      2   0.     5.00   4.36   4.35   4.36   4.27   4.36   4.43   4.37   4.35   4.36   4.36
_  ILE    15  HN    _  GLU    16  HN      2   0.     5.00   4.28   4.47   4.39   4.51   4.44   4.42   4.48   4.43   4.46   4.41
_  ASN    57  HN    _  LYS    58  HN      2   0.     6.00   2.75   2.79   2.73   2.75   2.63   2.80   2.74   2.72   2.76   2.77
_  LYS    39  HN    _  GLU    79  HN      4   0.     5.00   3.25   3.29   3.20   3.21   3.29   3.37   3.34   3.25   3.89   3.24
_  VAL    78  HN    _  GLU    79  HN      2   0.     5.00   4.42   4.42   4.40   4.43   4.42   4.44   4.44   4.43   4.30   4.39
_  ARG    37  HN    _  GLU    79  HN      4   0.     5.00   3.22   3.18   3.32   3.27   3.18   3.07   3.23   3.21   3.26   3.34
_  GLN    26  HN    _  GLU    27  HN      2   0.     5.00   4.53   4.52   4.52   4.53   4.52   4.51   4.56   4.52   4.09   4.52
_  THR    17  HN    _  LYS    18  HN      2   0.     5.00   4.45   4.35   4.29   4.47   4.37   4.37   4.36   4.42   4.32   4.35
_  ILE    15  HN    _  GLU    49  HN      4   0.     5.00   2.96   3.05   3.09   2.94   2.95   3.10   2.98   3.05   2.94   2.94
_  GLU    24  HN    _  VAL    78  HN      4   0.     5.00   4.04   4.00   3.89   4.10   3.99   4.05   4.05   4.00   4.09   4.07
_  LYS    46  HN    _  THR    71  HN      4   0.     5.00   2.80   3.17   3.03   3.40   3.05   3.09   3.24   3.19   3.01   3.14
_  GLY    45  HN    _  LYS    46  HN      2   0.     5.00   4.56   4.40   4.42   4.38   4.39   4.36   4.39   4.42   4.34   4.40
_  SER    74  HN    _  SER    74  HB2     1   0.     5.00   2.59   2.58   2.68   2.49   2.58   2.58   2.59   2.58   2.59   2.57
_  GLU    33  HA    _  GLY    34  HN      2   0.     5.00   2.12   2.12   2.12   2.12   2.12   2.12   2.13   2.12   2.12   2.12
_  LEU     9  HA    _  TYR    10  HN      2   0.     5.00   2.21   2.13   2.23   2.20   2.23   2.14   2.16   2.22   2.22   2.21
_  VAL    61  HN    _  SER    62  HN      2   0.     5.00   2.29   2.26   2.26   2.31   2.31   2.30   2.27   2.26   2.27   2.26
_  SER    55  HA    _  VAL    61  HN      4   0.     5.00   2.48   2.65   2.35   2.43   2.39   2.43   2.39   2.55   2.42   2.44
_  VAL    56  HN    _  VAL    61  HN      4   0.     5.00   4.14   4.08   4.17   4.02   3.90   4.02   3.98   3.89   4.06   4.00
_  SER    55  HA    _  SER    62  HN      4   0.     5.00   4.25   4.28   4.04   4.24   4.19   4.21   4.13   4.36   4.14   4.19
_  SER    55  HA    _  VAL    56  HN      2   0.     5.00   2.20   2.19   2.29   2.20   2.18   2.21   2.21   2.17   2.23   2.22
_  ASN    57  HB1   _  ASN    57  HD21    1   0.     5.00   3.70   3.80   3.82   3.86   3.60   3.47   3.47   3.57   3.48   3.48
_  ASN    57  HB2   _  ASN    57  HD22    1   0.     5.00   2.37   2.21   2.20   2.16   2.57   2.98   3.02   2.66   2.96   2.97
_  ASN    57  HB1   _  LYS    58  HN      2   0.     5.00   4.61   4.61   4.60   4.62   4.60   4.32   4.28   4.28   4.31   4.31
_  ASN    57  HB2   _  LYS    58  HN      2   0.     5.00   4.29   4.28   4.26   4.29   4.27   4.44   4.46   4.48   4.45   4.45
_  TYR    10  HN    _  SER    55  HN      4   0.     5.00   5.07   5.13   5.10   5.06   5.03   5.07   5.04   5.00   4.98   5.03
_  VAL    56  HN    _  GLU    59  HN      3   0.     5.00   2.76   2.66   2.68   2.89   2.91   2.75   2.75   2.82   2.72   2.75
_  SER    55  HN    _  SER    55  QB      1   0.     5.00   2.92   2.80   3.50   2.85   2.79   2.84   3.16   2.71   3.16   3.14
_  ARG    11  HN    _  SER    55  HN      4   0.     5.00   4.48   4.13   5.06   4.54   4.32   4.45   4.47   5.06   4.35   5.08
_  ALA    32  HA    _  GLU    33  HN      2   0.     5.00   2.21   2.21   2.25   2.20   2.21   2.25   2.25   2.21   2.18   2.20
_  VAL    38  HA    _  GLN    40  HN      3   0.     5.00   3.88   3.91   4.10   3.96   3.91   3.87   3.88   3.90   3.89   3.94
_  GLY    81  HN    _  THR    82  HN      2   0.     5.00   4.65   4.65   4.65   4.65   4.65   4.64   4.64   4.65   4.66   4.65
_  THR    35  HN    _  GLY    81  HN      4   0.     5.00   3.21   3.21   3.47   3.23   3.22   3.34   3.64   3.19   3.16   3.15
_  LYS    80  HA    _  GLY    81  HN      2   0.     5.00   2.11   2.11   2.12   2.12   2.11   2.13   2.14   2.12   2.12   2.12
_  THR    35  HB    _  GLY    81  HN      4   0.     5.00   2.97   2.96   3.26   3.04   2.97   3.02   3.73   3.01   2.47   2.92
_  ASN    28  HB1   _  GLY    81  HN      4   0.     6.00   5.93   5.82   6.21   5.99   5.86   5.73   6.20   6.01   5.85   6.08
_  LYS    46  HN    _  THR    71  QG2     4   0.     5.00   4.11   4.02   3.93   4.03   4.15   4.03   3.90   4.00   3.93   4.05
_  ILE    19  HN    _  GLY    45  HN      4   0.     5.00   2.52   2.84   3.04   2.95   2.86   2.83   2.83   2.94   2.97   2.85
_  ASN    28  HA    _  ASN    28  HD21    1   0.     5.00   4.56   4.56   4.59   4.58   4.57   4.59   4.59   4.59   4.53   4.54
_  ASN    28  HA    _  ASN    28  HD22    1   0.     5.00   4.29   4.29   4.33   4.31   4.31   4.33   4.33   4.34   4.25   4.27
_  THR    71  HB    _  ALA    72  HN      2   0.     5.00   4.26   4.34   4.34   4.35   4.32   4.31   4.34   4.35   4.31   4.34
_  ALA    72  HN    _  PRO    73  HD2     2   0.     5.00   5.04   5.02   5.03   4.97   5.01   5.00   5.03   5.03   5.04   5.04
_  LYS    83  HN    _  LYS    84  HN      2   0.     5.00   3.47   3.85   2.24   4.65   3.45   2.31   1.96   2.14   3.47   3.43
_  LEU     9  QB    _  TYR    10  HN      2   0.     5.00   3.34   4.31   3.31   3.38   3.32   4.13   3.52   3.33   3.33   3.36
_  TYR    10  HN    _  PHE    54  QD      4   0.     6.00   7.27   6.72   7.23   7.29   7.42   7.21   7.28   7.43   7.33   7.54
_  LEU     9  HN    _  TYR    10  HN      2   0.     5.00   4.54   4.33   4.52   4.53   4.53   4.34   4.53   4.53   4.53   4.52
_  TYR    10  HN    _  ARG    11  HN      2   0.     5.00   3.69   4.13   4.39   3.66   3.66   3.68   3.65   4.43   3.66   4.41
_  LYS    39  HN    _  GLN    40  HN      2   0.     5.00   2.35   2.36   2.43   2.36   2.36   2.36   2.35   2.36   2.14   2.31
_  THR    14  HN    _  ILE    15  HN      2   0.     6.00   4.40   4.43   4.46   4.42   4.37   4.42   4.40   4.44   4.39   4.38
_  GLU    23  HN    _  GLU    24  HN      2   0.     5.00   4.47   4.43   4.47   4.48   4.44   4.44   4.43   4.45   4.54   4.45
_  GLU    23  HA    _  GLU    24  HN      2   0.     5.00   2.20   2.17   2.17   2.21   2.17   2.17   2.16   2.16   2.13   2.18
_  VAL    78  HN    _  GLU    79  HA      2   0.     5.00   4.90   4.91   4.92   4.92   4.90   4.90   4.95   4.90   4.79   4.85
_  VAL    78  HN    _  VAL    78  HB      1   0.     5.00   2.65   2.64   2.63   2.63   2.64   2.64   2.60   2.65   2.74   2.69
_  ILE    25  HN    _  GLN    26  HN      2   0.     5.00   4.42   4.42   4.47   4.42   4.43   4.40   4.38   4.43   4.44   4.45
_  GLU    79  HN    _  LYS    80  HN      2   0.     5.00   4.60   4.60   4.58   4.60   4.60   4.58   4.41   4.60   4.56   4.61
_  GLN    40  HN    _  GLU    79  HN      4   0.     6.00   5.49   5.54   5.48   5.45   5.55   5.63   5.56   5.50   5.80   5.41
_  VAL    78  HA    _  GLU    79  HN      2   0.     5.00   2.16   2.16   2.14   2.15   2.15   2.16   2.15   2.16   2.14   2.16
_  THR    71  HN    _  ALA    72  HN      2   0.     5.00   4.52   4.45   4.46   4.45   4.46   4.50   4.43   4.43   4.48   4.44
_  THR    35  HN    _  THR    35  HB      1   0.     5.00   2.51   2.51   2.50   2.51   2.51   2.52   2.48   2.51   2.50   2.51
_  GLU    33  HA    _  THR    35  HN      3   0.     5.00   3.45   3.46   3.45   3.47   3.46   3.48   3.35   3.46   3.39   3.46
_  ASN    28  HB1   _  LEU    31  HN      3   0.     5.00   4.88   4.75   4.72   4.65   4.75   4.74   4.84   4.91   4.87   4.72
_  ASN    28  HN    _  ASN    28  HB2     1   0.     5.00   2.87   2.82   2.73   2.78   2.84   2.77   2.56   2.86   2.82   2.88
_  SER    55  QB    _  VAL    61  HN      4   0.     5.00   4.26   4.70   3.71   4.33   4.36   4.33   4.65   4.66   4.69   4.76
_  PHE    21  HB1   _  GLN    22  HN      2   0.     5.00   2.47   2.46   2.50   2.51   2.46   2.48   2.47   2.46   2.52   2.47
_  SER    55  QB    _  LYS    58  HN      3   0.     5.00   5.20   5.13   4.61   5.34   5.31   5.20   4.15   5.08   4.05   4.07
_  ASN    57  HA    _  GLU    59  HN      3   0.     5.00   4.71   4.79   4.45   4.57   4.63   4.69   4.69   5.03   4.68   4.71
_  SER    55  QB    _  GLU    60  HN      4   0.     6.00   5.05   5.59   3.94   5.10   5.03   4.98   4.76   4.83   4.88   4.83
_  ILE    65  HN    _  ILE    65  QG2     1   0.     5.00   4.41   4.43   4.43   4.44   4.41   4.42   4.41   4.42   4.41   4.42
_  LYS    43  HN    _  SER    74  HB2     4   0.     5.00   2.24   2.21   2.19   2.48   2.21   2.18   2.12   2.17   2.00   2.02
_  LYS    43  HN    _  SER    74  HB1     4   0.     5.00   3.96   3.94   3.90   4.17   3.94   3.91   3.86   3.91   3.76   3.77
_  ILE    19  HN    _  LYS    46  HA      4   0.     5.00   3.85   3.15   2.89   2.90   3.03   2.98   3.07   2.96   2.87   3.11
_  ILE    19  HN    _  ASP    20  HN      2   0.     6.00   4.46   4.38   4.42   4.44   4.42   4.40   4.45   4.36   4.41   4.38
_  LYS    18  HN    _  ILE    19  HN      2   0.     5.00   4.60   4.65   4.66   4.63   4.64   4.65   4.64   4.66   4.65   4.66
_  VAL    66  HN    _  SER    67  HN      2   0.     5.00   2.53   2.54   2.33   2.50   2.50   2.51   2.53   2.26   2.53   2.26
_  ILE    19  HN    _  LYS    46  HN      4   0.     6.00   4.38   4.09   4.10   4.01   4.03   3.96   4.03   4.10   3.93   4.06
_  GLN    40  HE21  _  SER    74  HA      4   0.     5.00   3.10   3.10   3.37   3.48   3.11   3.11   3.00   2.98   3.06   3.04
_  GLN    40  HE21  _  ILE    77  QD1     4   0.     6.00   5.26   5.23   5.18   5.30   5.22   5.26   5.31   5.16   5.20   5.15
_  GLN    40  HE22  _  ILE    77  QD1     4   0.     6.00   6.04   6.01   5.96   6.09   6.00   6.03   6.07   5.92   5.99   5.95
_  LYS    43  HN    _  SER    74  HN      4   0.     5.00   3.03   3.07   2.90   3.04   3.06   3.04   3.32   3.09   3.39   3.29
_  GLN    26  HA    _  GLN    26  HE22    1   0.     6.00   4.90   4.93   4.88   4.94   4.93   4.98   4.84   4.93   4.95   4.88
_  GLN    26  HA    _  GLN    26  HE21    1   0.     6.00   5.96   5.98   5.95   5.99   5.98   6.01   5.92   5.98   6.00   5.94
_  PHE    54  QD    _  SER    62  HN      4   0.     5.00   4.25   4.22   4.08   4.28   4.36   4.30   4.39   4.49   4.29   4.38
_  ASP    20  HN    _  PHE    21  HN      2   0.     5.00   4.66   4.66   4.51   4.66   4.66   4.66   4.65   4.67   4.66   4.67
_  ASN    57  HA    _  ASN    57  HD22    1   0.     5.00   4.41   4.39   4.39   4.35   4.35   4.44   4.44   4.46   4.45   4.45
_  ASN    57  HA    _  ASN    57  HD21    1   0.     5.00   4.56   4.56   4.57   4.55   4.52   4.65   4.66   4.72   4.67   4.67
_  GLU    12  HA    _  THR    14  HN      3   0.     6.00   6.20   6.22   5.82   6.13   6.30   6.14   6.14   5.38   6.24   5.97
_  ILE    65  HA    _  SER    67  HN      3   0.     5.00   4.08   3.96   4.16   4.09   4.13   4.08   4.09   4.16   4.10   4.15
_  THR    68  HA    _  SER    69  HN      2   0.     5.00   2.28   2.24   2.13   2.15   2.31   2.15   2.35   2.29   2.30   2.26
_  ILE    19  HN    _  LEU    44  HA      4   0.     5.00   4.07   4.39   4.74   4.45   4.43   4.39   4.42   4.45   4.67   4.43
_  TYR    10  HA    _  ARG    11  HN      2   0.     5.00   2.28   2.14   2.14   2.29   2.29   2.33   2.30   2.17   2.29   2.17
_  THR    35  HB    _  VAL    36  HN      2   0.     5.00   4.21   4.21   4.19   4.21   4.21   4.23   4.24   4.21   4.53   4.22
_  PHE    21  QD    _  LEU    44  HN      4   0.     6.00   5.66   5.53   5.96   5.21   5.59   5.65   5.64   5.50   5.86   5.58
_  PHE    21  QE    _  LEU    44  HN      4   0.     6.00   5.41   5.48   5.57   4.88   5.53   5.70   5.53   5.33   6.33   5.70
_  ILE    50  HN    _  SER    67  HN      4   0.     5.00   3.22   3.13   2.83   2.95   3.23   2.97   3.17   3.33   3.19   3.27
_  GLU    49  HA    _  ILE    50  HN      2   0.     5.00   2.12   2.14   2.12   2.13   2.12   2.12   2.14   2.18   2.14   2.12
_  VAL    48  HN    _  SER    69  HN      4   0.     5.00   3.27   3.07   3.42   3.38   3.17   3.32   3.09   3.26   3.08   3.22
_  LYS    58  HN    _  GLU    59  HN      2   0.     5.00   2.77   2.79   2.65   2.63   2.76   2.76   2.78   2.86   2.77   2.76
_  LEU     9  HN    _  SER    55  HN      4   0.     5.00   2.94   4.05   3.12   2.86   3.01   2.91   3.05   3.14   2.93   3.18
_  GLU    13  HN    _  THR    14  HN      2   0.     5.00   4.49   4.46   4.46   4.48   4.45   4.48   4.47   3.90   4.50   4.21
_  TYR    10  HA    _  SER    55  HN      4   0.     6.00   3.86   3.56   3.67   3.93   3.76   3.91   3.90   3.57   3.79   3.59
_  PHE    54  HB1   _  SER    55  HN      2   0.     5.00   4.26   4.30   4.17   4.31   4.36   4.31   4.32   4.37   4.31   4.29
_  PHE    54  HB2   _  SER    55  HN      2   0.     5.00   4.26   4.31   4.27   4.29   4.32   4.31   4.33   4.35   4.33   4.33
_  TYR    10  QB    _  SER    55  HN      4   0.     6.00   6.21   6.07   6.01   6.27   6.15   6.27   6.25   5.95   6.16   5.94
_  LEU     9  HN    _  PHE    54  QD      4   0.     6.00   5.27   4.93   5.23   5.26   5.41   5.15   5.40   5.37   5.22   5.44
_  GLN    26  HE22  _  ILE    77  QG2     4   0.     5.00   5.18   5.52   5.02   5.57   5.45   5.67   5.39   5.52   3.92   4.47
_  ILE    50  HN    _  ILE    50  HG12    1   0.     5.00   2.57   2.55   2.66   2.47   2.59   2.53   2.48   2.50   2.50   2.67
_  PHE    21  QD    _  GLN    22  HN      2   0.     5.00   4.06   4.04   4.08   4.02   4.04   4.05   4.02   4.01   4.02   4.10
_  PHE    21  HB2   _  GLN    22  HN      2   0.     5.00   3.80   3.80   3.82   3.85   3.80   3.82   3.82   3.81   3.86   3.79
_  GLY    34  HN    _  THR    35  HN      2   0.     5.00   2.41   2.42   2.51   2.49   2.41   2.42   2.49   2.43   2.31   2.41
_  PHE    21  HA    _  GLN    22  HN      2   0.     5.00   2.38   2.38   2.36   2.36   2.38   2.37   2.38   2.38   2.36   2.37
_  GLU    16  HA    _  THR    17  HN      2   0.     5.00   2.12   2.12   2.12   2.18   2.12   2.17   2.12   2.13   2.12   2.12
_  ILE    15  HN    _  ILE    15  HG11    1   0.     5.00   3.99   3.83   3.94   3.87   3.91   3.88   3.84   4.00   3.87   3.98
_  ILE    15  HN    _  ILE    15  HG12    1   0.     5.00   2.77   2.53   2.68   2.57   2.63   2.59   2.54   2.75   2.58   2.73
_  ILE    15  HN    _  ILE    15  QD1     1   0.     5.00   4.69   4.44   4.58   4.46   4.53   4.50   4.45   4.64   4.48   4.63
_  PRO    73  HA    _  SER    74  HN      2   0.     5.00   2.41   2.43   2.52   2.40   2.43   2.45   2.44   2.42   2.47   2.42
_  VAL    48  HN    _  GLU    49  HA      2   0.     6.00   5.23   5.27   5.15   5.36   5.17   5.10   5.25   5.31   5.16   5.13
_  GLU    49  HA    _  SER    67  HN      4   0.     5.00   4.99   4.92   4.55   4.53   4.98   4.61   4.83   5.05   4.86   5.10
_  GLU    33  HN    _  GLY    34  HN      2   0.     5.00   4.53   4.53   4.55   4.54   4.53   4.53   4.58   4.53   4.55   4.53
_  ASP    30  HN    _  LEU    31  HN      2   0.     5.00   2.45   2.51   2.56   2.56   2.52   2.53   2.43   2.47   2.41   2.51
_  ASP    30  HN    _  ASP    30  HB2     1   0.     5.00   3.62   3.61   3.60   3.60   3.60   3.60   3.62   3.61   3.62   3.61
_  SER    62  HN    _  ARG    63  HN      2   0.     5.00   4.41   4.29   4.41   4.41   4.41   4.41   4.41   4.41   4.41   4.41
_  GLU    79  HN    _  GLU    79  QB      1   0.     5.00   2.99   3.00   2.99   3.00   3.00   3.00   3.02   3.00   2.52   2.94
_  ILE    15  HA    _  GLU    16  HN      2   0.     5.00   2.12   2.12   2.12   2.13   2.12   2.12   2.12   2.13   2.12   2.12
_  THR    71  HN    _  ALA    72  HA      2   0.     6.00   5.28   5.16   5.17   5.15   5.17   5.22   5.12   5.11   5.19   5.16
_  THR    17  HN    _  LYS    46  HN      4   0.     6.00   6.60   6.64   6.69   6.71   6.68   6.53   6.64   6.65   6.63   6.66
_  THR    17  HN    _  THR    17  HB      1   0.     5.00   2.55   2.60   2.64   2.49   2.60   3.39   2.60   2.52   2.65   2.61
_  LEU    44  HN    _  GLY    45  HN      2   0.     6.00   4.64   4.64   4.63   4.64   4.64   4.63   4.65   4.64   4.59   4.64
_  PHE    54  HB2   _  SER    62  HN      4   0.     5.00   2.55   2.55   2.71   2.56   2.63   2.63   2.78   2.74   2.68   2.79
_  LEU     8  HN    _  LEU     9  HN      2   0.     5.00   4.44   3.38   4.45   4.42   4.43   4.52   4.20   4.36   4.45   4.36
_  ASP    20  HB2   _  PHE    21  HN      2   0.     5.00   2.47   2.59   3.56   2.48   2.57   2.63   2.42   2.64   2.49   2.71
_  THR    14  HN    _  THR    14  HB      1   0.     5.00   2.58   2.51   2.49   2.52   2.60   2.52   2.52   2.49   2.57   2.60
_  GLU    49  HN    _  ILE    50  HN      2   0.     6.00   4.24   4.01   4.18   4.01   4.18   4.08   4.00   3.91   4.03   4.19
_  VAL    48  HN    _  VAL    48  HB      1   0.     5.00   2.50   2.50   2.60   2.48   2.53   2.61   2.51   2.49   2.55   2.55
_  LEU    31  HN    _  THR    82  HN      4   0.     5.00   3.66   3.65   4.35   4.03   3.70   3.62   4.15   3.61   3.56   3.73
_  LEU    31  HN    _  GLY    81  HN      4   0.     6.00   5.99   5.92   5.96   5.84   5.88   5.89   6.10   6.00   6.06   5.94
_  ARG    63  HN    _  GLU    64  HN      2   0.     5.00   4.46   4.42   4.43   4.46   4.47   4.46   4.47   4.42   4.46   4.45
_  GLU    12  HN    _  GLU    13  HN      2   0.     5.00   4.52   4.39   4.37   4.47   4.58   4.49   4.50   4.55   4.51   4.58
_  ARG    11  HN    _  GLU    12  HN      2   0.     5.00   4.32   4.31   3.97   4.36   4.38   4.34   4.33   4.43   4.35   4.46
_  GLN    22  HN    _  SER    74  HN      4   0.     6.00   6.08   5.92   6.34   6.47   5.95   5.90   6.03   6.03   5.82   5.75
_  GLU    33  HA    _  GLY    81  HN      4   0.     6.00   4.83   4.79   4.63   4.64   4.82   4.96   4.22   4.79   4.92   4.76
_  ASN    28  HB2   _  GLY    81  HN      4   0.     6.00   4.64   4.59   4.93   4.72   4.60   4.56   4.94   4.73   4.62   4.82
_  GLU    60  HN    _  VAL    61  HN      2   0.     5.00   4.59   4.55   4.58   4.60   4.60   4.59   4.58   4.56   4.58   4.58
_  LYS    80  HN    _  GLY    81  HN      2   0.     5.00   4.27   4.25   4.39   4.28   4.25   4.19   4.51   4.28   4.21   4.33
_  LEU    44  HG    _  GLY    45  HN      2   0.     5.00   4.96   4.96   4.99   4.96   4.97   4.97   4.93   4.96   3.87   4.94
_  TYR    10  HN    _  PHE    54  HA      4   0.     6.00   5.20   4.97   5.23   5.20   5.33   5.18   5.18   5.40   5.21   5.43
_  ALA    32  HN    _  ALA    32  QB      1   0.     5.00   2.76   2.76   2.77   2.76   2.76   2.76   2.81   2.76   2.76   2.75
_  ASN    57  HB2   _  ASN    57  HD21    1   0.     5.00   3.54   3.48   3.47   3.46   3.63   3.82   3.83   3.66   3.81   3.81
_  ASN    57  HB1   _  ASN    57  HD22    1   0.     5.00   2.73   2.96   2.99   3.08   2.52   2.20   2.18   2.44   2.21   2.21
_  ILE    15  HA    _  ILE    15  HG11    1   0.     5.00   2.59   2.61   2.61   2.61   2.61   2.61   2.61   2.60   2.60   2.59
_  ILE    15  HA    _  ILE    15  HG12    1   0.     5.00   2.95   2.92   2.93   2.90   2.92   2.93   2.91   2.92   2.91   2.93
_  SER    55  HA    _  GLU    59  HN      3   0.     5.00   4.01   3.81   4.18   4.20   4.06   4.02   3.93   3.63   3.95   3.90
_  TYR    10  QB    _  PHE    54  HA      4   0.     5.00   5.17   4.75   4.92   5.24   5.23   5.23   5.22   5.10   5.19   5.09
_  SER    55  HA    _  GLU    60  HA      4   0.     5.00   2.62   2.86   2.68   2.47   2.44   2.51   2.56   2.38   2.59   2.52
_  GLU    60  HA    _  SER    62  HN      3   0.     5.00   4.23   4.13   4.18   4.28   4.27   4.24   4.20   4.15   4.20   4.18
_  VAL    56  HN    _  GLU    60  HA      3   0.     5.00   4.03   4.21   4.12   3.86   3.84   3.93   4.04   3.92   4.07   4.02
_  ALA    32  QB    _  THR    35  HG1     3   0.     5.00   3.16   3.16   3.29   3.11   3.14   3.21   3.63   3.16   3.23   3.12
_  ALA    32  HA    _  GLU    33  HA      2   0.     5.00   4.26   4.25   4.26   4.24   4.25   4.25   4.29   4.25   4.30   4.26
_  ALA    32  HA    _  THR    82  HN      4   0.     5.00   5.06   5.01   3.65   4.99   5.02   4.86   3.09   5.01   5.22   5.11
_  GLU    33  HA    _  THR    82  HN      4   0.     5.00   3.61   3.64   3.04   3.48   3.62   3.75   3.39   3.62   3.67   3.63
_  ALA    32  QB    _  GLU    33  HN      2   0.     5.00   3.53   3.53   3.43   3.55   3.53   3.45   3.44   3.52   3.60   3.55
_  ALA    32  QB    _  THR    35  HN      3   0.     5.00   4.90   4.90   4.93   4.86   4.89   4.93   5.01   4.90   4.98   4.87
_  LEU    31  HN    _  LEU    31  HB2     1   0.     5.00   3.70   3.68   3.68   3.64   3.67   3.69   3.74   3.71   3.71   3.67
_  LEU    31  HN    _  LEU    31  HB1     1   0.     5.00   2.52   2.49   2.49   2.44   2.48   2.50   2.57   2.53   2.52   2.48
_  LEU    31  HB2   _  ALA    32  HN      2   0.     5.00   2.69   2.74   2.95   2.88   2.74   2.70   2.82   2.68   2.62   2.80
_  LEU    31  HB1   _  ALA    32  HN      2   0.     5.00   3.82   3.87   4.01   3.98   3.87   3.84   3.90   3.81   3.77   3.91
_  LEU     8  QB    _  LEU     9  HN      2   0.     5.00   3.96   4.30   3.95   3.95   3.96   3.57   3.95   3.99   3.93   3.89
_  LEU     8  HN    _  LEU     8  QB      1   0.     5.00   2.85   3.14   2.86   2.86   2.85   3.06   3.13   2.89   2.85   3.06
_  ILE    19  HA    _  ASP    20  HB1     2   0.     5.00   4.51   4.49   5.66   4.50   4.49   4.49   4.50   4.48   4.49   4.49
_  ILE    19  HA    _  ASP    20  HB2     2   0.     5.00   5.68   5.68   4.44   5.68   5.68   5.68   5.68   5.68   5.69   5.68
_  ASP    20  HB1   _  PHE    21  HN      2   0.     5.00   3.75   3.85   2.02   3.76   3.83   3.88   3.72   3.89   3.77   3.93
_  ASP    20  HN    _  ASP    20  HB1     1   0.     5.00   2.40   2.39   3.67   2.39   2.39   2.39   2.39   2.39   2.40   2.39
_  ASP    20  HN    _  ASP    20  HB2     1   0.     5.00   3.60   3.60   2.69   3.60   3.60   3.60   3.60   3.60   3.60   3.60
_  ILE    25  HN    _  ILE    25  HB      1   0.     5.00   2.58   2.58   2.53   2.57   2.57   2.58   2.58   2.56   2.56   2.57
_  GLU    24  HA    _  ILE    25  HB      2   0.     5.00   4.58   4.56   4.58   4.58   4.56   4.55   4.61   4.57   4.66   4.64
_  LYS    83  QG    _  LYS    84  HN      2   0.     5.00   4.97   3.77   4.76   4.90   4.98   4.96   4.96   5.01   4.97   4.98
_  THR    14  QG2   _  ILE    15  HN      2   0.     5.00   3.53   3.63   3.62   3.66   3.54   3.66   3.68   3.64   3.58   3.52
_  ALA    72  HN    _  ALA    72  QB      1   0.     5.00   2.76   2.76   2.78   2.76   2.76   2.76   2.76   2.76   2.77   2.76
_  ALA    72  QB    _  PRO    73  HD2     2   0.     5.00   4.35   4.35   4.33   4.42   4.36   4.38   4.34   4.33   4.30   4.34
_  ILE    19  HN    _  ILE    19  QG2     1   0.     5.00   4.51   4.53   4.55   4.53   4.52   4.55   4.53   4.53   4.53   4.53
_  ILE    19  QG2   _  ASP    20  HN      2   0.     5.00   3.43   3.54   3.35   3.45   3.53   3.50   3.44   3.58   3.57   3.52
_  ALA    72  QB    _  PRO    73  HD1     2   0.     5.00   3.22   3.26   3.29   3.38   3.29   3.31   3.24   3.23   3.23   3.23
_  ILE    19  HA    _  ILE    19  QG2     1   0.     5.00   2.94   3.00   2.99   2.95   2.95   2.95   2.95   2.99   2.95   3.00
_  ILE    19  QG2   _  PRO    73  HD1     4   0.     5.00   4.54   4.41   4.40   4.36   4.43   4.41   4.41   4.44   4.38   4.37
_  ILE    19  QG2   _  PRO    73  HD2     4   0.     5.00   3.19   3.01   3.05   3.03   3.03   3.00   2.97   3.03   2.93   2.97
_  ILE    19  QG2   _  ALA    72  HA      4   0.     6.00   5.37   5.16   5.20   5.14   5.17   5.11   5.10   5.21   4.99   5.11
_  ALA    72  HA    _  PRO    73  HD2     2   0.     5.00   2.31   2.30   2.29   2.29   2.30   2.30   2.31   2.31   2.29   2.31
_  GLY    45  HA2   _  THR    71  QG2     4   0.     5.00   5.19   4.66   4.36   4.77   4.66   4.52   4.58   4.55   4.24   4.62
_  ILE    19  HB    _  GLY    45  HA2     4   0.     5.00   1.99   2.21   2.34   2.38   2.20   2.26   2.19   2.28   2.35   2.23
_  TYR    10  QD    _  ARG    52  HD1     4   0.     5.00   4.96   4.80   5.26   4.99   5.00   5.09   5.05   3.52   4.96   3.41
_  TYR    10  QD    _  ARG    52  HD2     4   0.     5.00   3.28   3.24   3.59   3.33   3.32   3.40   3.36   5.24   3.29   5.18
_  ALA    72  HN    _  PRO    73  HD1     2   0.     5.00   4.88   4.91   4.97   4.93   4.92   4.93   4.91   4.91   4.94   4.90
_  ALA    72  HA    _  PRO    73  HD1     2   0.     5.00   2.25   2.27   2.33   2.23   2.26   2.26   2.27   2.28   2.32   2.27
_  ASN    28  HA    _  PRO    29  HD1     2   0.     5.00   1.95   2.40   2.36   2.36   2.40   2.38   1.96   1.95   1.94   2.40
_  GLU    27  HA    _  ASN    28  HA      2   0.     5.00   4.45   4.44   4.41   4.44   4.45   4.42   4.42   4.45   4.42   4.46
_  ASN    28  HA    _  ASP    30  HN      3   0.     5.00   3.41   3.42   3.46   3.53   3.41   3.45   3.45   3.42   3.41   3.41
_  ASN    28  HA    _  LEU    31  HN      3   0.     5.00   4.54   4.50   4.50   4.49   4.48   4.54   4.59   4.58   4.54   4.47
_  ASN    28  HA    _  PRO    29  HD2     2   0.     5.00   2.44   2.04   2.07   2.08   2.06   2.04   2.39   2.42   2.44   2.04
_  ASN    28  HN    _  PRO    29  HD1     2   0.     6.00   4.59   4.92   4.98   4.94   4.88   4.98   4.82   4.61   4.63   4.88
_  PRO    29  HD1   _  ASP    30  HN      2   0.     5.00   2.79   2.81   2.83   2.88   2.81   2.82   2.77   2.79   2.80   2.80
_  PRO     6  HD2   _  GLU     7  HN      2   0.     6.00   5.72   5.01   4.93   4.90   5.70   5.75   5.46   5.54   5.70   5.59
_  GLN    26  HE22  _  ILE    77  QD1     4   0.     5.00   6.03   6.42   5.87   6.51   6.33   6.47   6.41   6.45   5.52   5.05
_  LYS    84  HN    _  LYS    84  HA      1   0.     5.00   2.99   2.90   2.80   2.92   2.99   2.83   2.84   2.90   2.99   2.99
_  LYS    83  HN    _  LYS    84  HA      2   0.     5.00   4.77   5.06   4.87   5.49   4.75   4.64   4.56   4.30   4.75   4.72
_  GLN    26  HN    _  GLU    79  HA      4   0.     5.00   2.92   2.99   2.96   3.12   2.96   3.14   3.23   2.99   2.57   2.90
_  GLU    79  HA    _  LYS    80  HN      2   0.     5.00   2.21   2.20   2.16   2.19   2.20   2.18   2.12   2.20   2.17   2.21
_  VAL    38  HA    _  GLU    79  HN      4   0.     5.00   3.11   3.07   3.00   2.98   3.08   3.11   2.95   3.05   3.57   3.39
_  VAL    38  HA    _  LYS    39  HN      2   0.     5.00   2.13   2.13   2.13   2.13   2.13   2.13   2.13   2.13   2.14   2.13
_  VAL    38  HN    _  VAL    38  HB      1   0.     5.00   2.47   2.47   2.47   2.48   2.47   2.47   2.47   2.48   2.47   2.47
_  VAL    38  HA    _  VAL    38  QG1     1   0.     5.00   3.02   3.02   3.02   3.02   3.02   3.02   3.02   3.02   3.01   3.03
_  VAL    38  HA    _  VAL    38  QG2     1   0.     5.00   2.95   2.95   2.95   2.95   2.95   2.95   2.95   2.95   2.95   2.94
_  VAL    36  HA    _  ARG    37  HN      2   0.     5.00   2.13   2.13   2.13   2.13   2.13   2.13   2.14   2.13   2.14   2.13
_  ASN    28  HB1   _  ASP    30  HN      3   0.     6.00   4.70   4.72   4.69   4.75   4.73   4.65   4.56   4.67   4.68   4.71
_  ASN    28  HN    _  ASN    28  HB1     1   0.     5.00   3.21   3.16   3.07   3.16   3.18   3.12   2.76   3.22   3.14   3.21
_  ASN    28  HB2   _  ASP    30  HN      3   0.     6.00   4.11   4.10   4.07   4.14   4.13   4.01   3.92   4.07   4.05   4.08
_  ASN    28  HB2   _  LEU    31  HN      3   0.     5.00   3.49   3.32   3.26   3.21   3.33   3.28   3.40   3.50   3.45   3.28
_  SER    55  QB    _  GLU    59  HN      3   0.     5.00   4.19   4.14   3.45   4.45   4.21   4.18   3.10   3.73   3.10   3.10
_  SER    55  QB    _  GLU    60  HA      4   0.     5.00   3.25   3.97   2.47   3.27   3.28   3.24   3.57   3.45   3.65   3.67
_  PHE    54  HA    _  SER    55  HN      2   0.     5.00   2.13   2.12   2.14   2.12   2.12   2.12   2.12   2.12   2.12   2.12
_  PHE    54  HA    _  PHE    54  QE      1   0.     5.00   4.91   4.91   5.00   4.89   4.88   4.91   4.92   4.90   4.92   4.95
_  PHE    54  HA    _  PHE    54  QD      1   0.     5.00   2.88   2.89   2.95   2.88   2.86   2.88   2.89   2.88   2.90   2.91
_  TYR    10  HA    _  PHE    54  HA      4   0.     5.00   2.84   2.49   2.75   2.91   2.94   2.86   2.88   3.00   2.86   2.99
_  TYR    10  HA    _  TYR    10  QD      1   0.     5.00   2.88   2.83   2.85   2.88   2.88   2.88   2.90   2.84   2.88   2.84
_  ARG    63  HA    _  GLU    64  HN      2   0.     5.00   2.28   2.28   2.24   2.29   2.29   2.29   2.29   2.22   2.28   2.25
_  SER    62  HA    _  ARG    63  HA      2   0.     5.00   4.49   4.45   4.51   4.50   4.49   4.49   4.49   4.51   4.50   4.50
_  ASP    20  HA    _  PHE    21  HN      2   0.     5.00   2.37   2.32   2.64   2.36   2.33   2.30   2.39   2.30   2.36   2.28
_  ILE    19  HA    _  ASP    20  HN      2   0.     5.00   2.13   2.12   2.14   2.13   2.12   2.12   2.13   2.12   2.12   2.12
_  ILE    19  HA    _  PHE    21  HN      3   0.     6.00   6.36   6.32   6.41   6.35   6.32   6.31   6.37   6.30   6.34   6.28
_  ILE    19  HA    _  ASP    20  HA      2   0.     5.00   4.35   4.38   4.36   4.36   4.38   4.38   4.36   4.39   4.38   4.38
_  GLU    59  HN    _  GLU    59  HG2     1   0.     5.00   4.81   4.83   4.75   4.81   4.80   4.82   4.81   4.87   4.81   4.82
_  PRO     6  HD1   _  GLU     7  HN      2   0.     6.00   5.55   4.63   4.47   4.40   5.54   5.53   5.35   5.52   5.60   5.56
_  ASN    57  HB2   _  LYS    58  HA      2   0.     6.00   5.74   5.76   5.76   5.82   5.70   5.94   5.96   6.02   5.96   5.96
_  ILE    65  HN    _  ILE    65  HB      1   0.     5.00   2.44   2.45   2.44   2.45   2.44   2.45   2.44   2.44   2.44   2.44
_  THR    70  HA    _  THR    70  QG2     1   0.     5.00   2.98   2.99   2.98   2.99   2.99   2.98   2.99   2.99   2.99   2.99
_  GLU    64  HA    _  ILE    65  HB      2   0.     5.00   4.58   4.77   4.64   4.64   4.59   4.59   4.58   4.61   4.58   4.62
_  ILE    65  HN    _  ILE    65  HG11    1   0.     5.00   3.60   3.68   3.72   3.74   3.62   3.60   3.60   3.65   3.61   3.67
_  ILE    65  HN    _  ILE    65  HG12    1   0.     5.00   2.26   2.35   2.40   2.43   2.29   2.26   2.27   2.32   2.27   2.34
_  ILE    65  HN    _  ILE    65  QD1     1   0.     5.00   4.24   4.30   4.34   4.37   4.26   4.24   4.25   4.28   4.25   4.29
_  LYS     5  HN    _  PRO     6  HD1     2   0.     6.00   5.22   4.95   4.94   4.97   5.22   5.23   1.94   5.18   1.92   1.93
_  LYS     5  HN    _  PRO     6  HD2     2   0.     6.00   4.50   5.07   4.82   4.71   4.48   4.46   2.75   4.61   2.21   2.24
_  GLN    26  HE21  _  ILE    77  QD1     4   0.     5.00   5.44   5.87   5.21   5.77   5.77   5.99   5.73   5.82   5.21   4.63
_  ILE    77  HA    _  ILE    77  QD1     1   0.     5.00   4.55   4.55   4.54   4.55   4.55   4.54   4.55   4.55   4.54   4.55
_  ILE    77  QD1   _  VAL    78  HN      2   0.     6.00   6.21   6.20   6.21   6.31   6.20   6.18   6.29   6.26   6.38   6.13
_  GLU    59  HN    _  GLU    59  HG1     1   0.     5.00   4.54   4.56   4.47   4.53   4.60   4.54   4.53   4.61   4.53   4.54
_  SER    74  HN    _  SER    74  HB1     1   0.     5.00   3.13   3.11   3.24   3.02   3.11   3.11   3.10   3.12   3.11   3.09
_  GLN    40  HE21  _  SER    74  HB2     4   0.     6.00   5.22   5.23   5.31   5.42   5.23   5.23   5.19   5.19   5.16   5.16
_  GLN    40  HE21  _  SER    74  HB1     4   0.     6.00   4.50   4.52   4.65   4.58   4.52   4.53   4.45   4.40   4.48   4.41
_  GLN    40  HE22  _  SER    74  HB1     4   0.     6.00   3.28   3.33   3.43   3.44   3.33   3.33   3.21   3.18   3.24   3.16
_  GLN    40  HE22  _  SER    74  HB2     4   0.     6.00   3.78   3.80   3.84   4.04   3.79   3.80   3.74   3.74   3.68   3.69
_  THR    17  HN    _  LYS    46  HA      4   0.     5.00   4.23   4.17   4.32   4.29   4.19   4.05   4.15   4.26   4.22   4.20
_  THR    71  HN    _  THR    71  HB      1   0.     5.00   2.48   2.49   2.49   2.49   2.49   2.48   2.50   2.50   2.48   2.49
_  LYS    46  HN    _  THR    71  HB      4   0.     5.00   2.21   2.29   2.15   2.35   2.34   2.21   2.26   2.27   2.14   2.31
_  ALA    32  QB    _  THR    35  HB      3   0.     5.00   4.96   4.94   4.86   4.80   4.91   4.98   4.81   4.94   5.18   4.91
_  ASN    57  HB1   _  LYS    58  HA      2   0.     5.00   6.55   6.57   6.57   6.59   6.53   5.89   5.82   5.79   5.86   5.87
_  SER    67  HN    _  SER    67  HB1     1   0.     5.00   3.53   3.45   3.42   3.42   3.52   3.41   3.53   3.48   3.53   3.48
_  SER    67  HN    _  SER    67  HB2     1   0.     5.00   3.08   2.96   2.92   2.92   3.07   2.91   3.08   2.98   3.08   2.99
_  VAL    66  HN    _  SER    67  HB1     2   0.     6.00   5.57   5.58   5.44   5.52   5.55   5.51   5.57   5.40   5.57   5.40
_  VAL    66  HN    _  SER    67  HB2     2   0.     6.00   5.37   5.30   5.15   5.23   5.35   5.22   5.36   5.15   5.36   5.14
_  ILE    50  HG11  _  SER    67  HB1     4   0.     6.00   6.96   6.44   5.87   6.27   7.01   6.31   6.97   6.39   6.99   6.48
_  ILE    50  HG12  _  SER    67  HB1     4   0.     6.00   6.10   5.60   4.77   5.26   6.19   5.33   6.07   5.71   6.09   5.79
_  ILE    50  HB    _  SER    67  HB1     4   0.     5.00   4.43   4.09   3.70   3.94   4.39   3.85   4.44   3.91   4.45   3.95
_  ILE    50  HB    _  SER    67  HB2     4   0.     5.00   3.05   2.71   2.51   2.66   2.95   2.54   3.07   2.39   3.07   2.42
_  GLN    26  HG1   _  GLN    26  HE22    1   0.     5.00   2.35   2.39   2.33   2.39   2.38   2.46   2.30   2.39   2.39   2.35
_  GLN    26  HG2   _  GLN    26  HE22    1   0.     5.00   2.83   2.78   2.86   2.78   2.79   2.70   2.90   2.78   2.78   2.84
_  GLN    26  HG1   _  GLN    26  HE21    1   0.     5.00   3.54   3.56   3.53   3.56   3.55   3.58   3.52   3.56   3.56   3.54
_  GLN    26  HG2   _  GLN    26  HE21    1   0.     5.00   3.75   3.73   3.77   3.73   3.73   3.69   3.78   3.73   3.73   3.75
_  GLN    26  HN    _  GLN    26  HG1     1   0.     5.00   4.03   4.05   4.02   4.03   4.05   4.05   3.90   4.03   3.90   3.98
_  GLN    26  HN    _  GLN    26  HG2     1   0.     5.00   2.96   2.99   2.95   2.95   3.00   2.99   2.82   2.97   2.75   2.95
_  ILE    25  HN    _  GLN    26  HG2     2   0.     6.00   4.49   4.45   4.57   4.50   4.46   4.42   4.68   4.50   4.87   4.67
_  ILE    25  HN    _  GLN    26  HG1     2   0.     6.00   5.18   5.15   5.27   5.23   5.17   5.17   5.28   5.22   5.59   5.29
_  GLN    26  HA    _  GLN    26  HG1     1   0.     5.00   2.56   2.56   2.56   2.57   2.55   2.56   2.54   2.56   2.58   2.54
_  GLN    26  HA    _  GLN    26  HG2     1   0.     5.00   3.12   3.12   3.12   3.11   3.12   3.12   3.13   3.12   3.08   3.16
_  GLU    12  HA    _  ARG    52  HA      4   0.     5.00   2.09   2.07   2.02   2.14   2.11   2.08   2.09   2.88   2.11   2.72
_  GLU    12  HA    _  GLU    13  HN      2   0.     5.00   2.13   2.12   2.14   2.12   2.18   2.12   2.12   2.14   2.13   2.19
_  GLU    12  HA    _  GLU    12  HG2     1   0.     5.00   3.04   2.54   3.04   3.03   3.06   3.04   3.03   2.58   3.04   3.07
_  GLU    12  HA    _  GLU    12  HG1     1   0.     5.00   2.54   3.19   2.54   2.56   2.52   2.55   2.55   3.12   2.54   2.54
_  ILE    53  HN    _  ILE    53  QD1     1   0.     5.00   4.51   4.65   4.35   4.50   4.48   4.51   4.48   4.31   4.48   4.33
_  PHE    21  HB1   _  LEU    44  QD2     4   0.     6.00   6.44   6.30   6.45   6.36   6.29   6.23   6.29   6.26   7.76   6.20
_  LEU    44  HA    _  LEU    44  QD2     1   0.     5.00   2.87   2.86   2.85   2.87   2.86   2.87   2.88   2.88   4.31   2.87
_  PHE    21  HB2   _  LEU    44  QD1     4   0.     6.00   7.74   7.55   7.94   7.57   7.55   7.47   7.54   7.53   5.30   7.40
_  LEU    44  HA    _  LEU    44  QD1     1   0.     5.00   4.58   4.58   4.58   4.58   4.58   4.58   4.58   4.58   3.80   4.58
_  GLN    40  HE22  _  SER    74  HA      4   0.     5.00   2.67   2.69   2.87   3.10   2.69   2.69   2.55   2.54   2.60   2.58
_  VAL    36  HA    _  VAL    36  QQG     1   0.     5.00   2.55   2.55   2.55   2.55   2.55   2.55   2.55   2.55   2.55   2.55
_  ILE    19  HG12  _  LYS    46  HA      4   0.     5.00   4.92   2.69   2.52   3.74   3.90   3.86   3.92   2.45   3.90   2.65
_  ILE    15  HN    _  ILE    15  HB      1   0.     5.00   2.59   2.49   2.55   2.49   2.53   2.52   2.49   2.56   2.50   2.56
_  THR    35  HA    _  VAL    36  HA      2   0.     5.00   4.40   4.40   4.40   4.40   4.40   4.40   4.40   4.40   4.50   4.40
_  GLN    26  HE21  _  ILE    77  QG2     4   0.     6.00   5.01   5.39   4.77   5.24   5.31   5.62   5.06   5.29   3.55   4.47
_  ILE    25  HA    _  ILE    25  QD1     1   0.     5.00   4.54   4.54   4.54   4.54   4.54   4.54   4.55   4.54   2.77   2.78
_  ILE    25  HA    _  ILE    25  QG2     1   0.     5.00   3.01   3.01   3.01   3.00   3.01   3.00   2.99   3.01   2.97   2.96
_  ILE    50  HG12  _  SER    67  HB2     4   0.     6.00   4.40   3.87   3.08   3.53   4.49   3.60   4.37   3.96   4.39   4.05
_  ILE    50  HG11  _  SER    67  HB2     4   0.     6.00   5.29   4.76   4.38   4.69   5.33   4.74   5.31   4.69   5.33   4.76
_  ILE    50  HN    _  ILE    50  HG11    1   0.     5.00   3.85   3.83   3.90   3.76   3.87   3.82   3.79   3.80   3.81   3.93
_  ILE    50  HG11  _  VAL    51  HN      2   0.     6.00   4.48   4.47   4.43   4.43   4.43   4.41   4.45   4.52   4.45   4.47
_  ILE    50  HG12  _  VAL    51  HN      2   0.     6.00   5.01   5.00   5.01   4.99   4.99   4.98   4.99   5.00   4.99   4.99
_  GLU    49  HA    _  SER    69  HN      4   0.     5.00   3.78   3.94   3.63   3.75   3.80   3.62   3.84   3.95   3.80   3.78
_  THR    68  HA    _  SER    69  QB      2   0.     5.00   4.35   4.32   4.46   4.41   4.32   4.43   4.32   4.30   4.34   4.33
_  GLU    23  HA    _  GLU    23  HG1     1   0.     5.00   2.59   3.16   3.20   2.57   3.16   3.16   3.18   3.16   3.15   3.17
_  GLU    23  HA    _  GLU    23  HG2     1   0.     5.00   3.08   2.55   2.58   3.19   2.55   2.55   2.55   2.56   2.56   2.52
_  ARG    63  HA    _  ARG    63  HD1     1   0.     5.00   4.64   4.85   4.64   4.64   4.65   4.64   4.64   4.65   4.64   4.65
_  ARG    63  HA    _  ARG    63  HD2     1   0.     5.00   4.28   4.69   4.32   4.28   4.30   4.28   4.29   4.31   4.28   4.33
_  THR    71  HA    _  THR    71  QG2     1   0.     5.00   3.00   3.00   3.00   3.00   3.00   3.00   3.00   3.00   3.00   3.00
_  THR    71  HN    _  THR    71  QG2     1   0.     5.00   4.46   4.47   4.46   4.46   4.47   4.45   4.48   4.47   4.46   4.47
_  LYS    46  HB1   _  LYS    47  HN      2   0.     5.00   4.52   4.29   4.34   3.16   4.28   4.34   4.29   3.01   4.35   4.30
_  LYS    46  HB2   _  LYS    47  HN      2   0.     5.00   3.99   4.30   4.31   4.19   4.28   4.32   4.29   4.10   4.30   4.31
_  LYS    46  HA    _  LYS    46  HD2     1   0.     5.00   4.34   4.93   4.18   4.85   4.92   4.19   4.92   4.83   4.17   4.94
_  GLU    16  HA    _  THR    17  HB      2   0.     5.00   4.59   4.62   4.62   4.66   4.63   4.58   4.62   4.61   4.63   4.62
_  LYS    46  HA    _  LYS    46  HD1     1   0.     5.00   4.70   4.65   4.70   4.75   4.65   4.71   4.65   4.77   4.69   4.64
_  LYS    46  HN    _  LYS    46  HG1     1   0.     5.00   4.23   4.60   4.71   2.83   4.60   4.69   4.60   2.84   4.72   4.59
_  LYS    46  HN    _  LYS    46  HG2     1   0.     5.00   3.29   4.93   4.84   3.50   4.91   4.84   4.90   3.49   4.84   4.94
_  LYS    46  HG1   _  THR    71  HB      4   0.     6.00   4.57   4.62   4.86   2.33   4.79   4.77   4.48   2.18   4.80   4.69
_  LYS    46  HG2   _  THR    71  HB      4   0.     6.00   3.29   5.52   5.62   2.74   5.62   5.58   5.38   2.82   5.55   5.58
_  ILE    53  HA    _  ILE    53  QD1     1   0.     5.00   4.55   4.55   4.54   4.55   4.56   4.55   4.55   4.53   4.55   4.55
_  ILE    77  HA    _  ILE    77  QG2     1   0.     5.00   2.99   2.99   3.00   2.99   2.99   3.00   2.99   2.99   2.99   2.98
_  ASP    30  HN    _  ASP    30  HB1     1   0.     5.00   2.40   2.39   2.40   2.38   2.40   2.39   2.40   2.40   2.41   2.40
_  ASN    28  HD22  _  ASP    30  HB1     3   0.     6.00   4.29   4.24   3.97   4.12   4.22   3.97   3.91   4.09   4.37   4.23
_  ASN    28  HD22  _  ASP    30  HB2     3   0.     6.00   5.77   5.70   5.41   5.57   5.68   5.42   5.39   5.55   5.87   5.70
_  ASP    30  HB1   _  LEU    31  HN      2   0.     5.00   3.25   3.16   3.13   3.01   3.13   3.16   3.30   3.24   3.31   3.16
_  ASP    30  HB2   _  LEU    31  HN      2   0.     5.00   4.05   3.98   3.95   3.84   3.95   3.96   4.09   4.04   4.09   3.98
_  ASN    28  HD21  _  ASP    30  HB1     3   0.     6.00   2.90   2.89   2.66   2.81   2.88   2.65   2.53   2.72   2.98   2.89
_  ASN    28  HD21  _  ASP    30  HB2     3   0.     6.00   4.30   4.28   4.04   4.20   4.25   4.05   3.97   4.11   4.40   4.28
_  ILE    19  HB    _  GLY    45  HN      4   0.     5.00   2.31   2.57   2.69   2.61   2.46   2.51   2.48   2.52   2.39   2.61
_  PHE    54  HB1   _  SER    62  HN      4   0.     5.00   4.26   4.27   4.43   4.27   4.33   4.34   4.49   4.43   4.39   4.50
_  PHE    54  QD    _  SER    62  HB2     4   0.     6.00   5.97   4.45   5.73   6.05   6.17   6.08   6.15   6.32   5.99   6.14
_  PHE    54  QD    _  SER    62  HB1     4   0.     6.00   6.52   5.86   6.27   6.58   6.66   6.58   6.61   6.75   6.50   6.60
_  LYS    83  HN    _  LYS    83  HB1     1   0.     5.00   2.71   3.29   2.43   2.52   2.72   2.47   2.55   2.70   2.71   2.72
_  LYS    83  HN    _  LYS    83  HB2     1   0.     5.00   3.83   2.85   3.65   3.64   3.84   3.68   3.74   3.83   3.83   3.84
_  THR    14  HB    _  ILE    15  HN      2   0.     5.00   4.30   4.34   4.34   4.35   4.30   4.35   4.36   4.35   4.32   4.30
_  THR    35  HN    _  THR    35  QG2     1   0.     5.00   4.42   4.42   4.43   4.42   4.42   4.42   4.45   4.42   4.42   4.42
_  ARG    11  HN    _  GLU    12  HA      2   0.     6.00   5.20   5.18   4.61   5.21   5.21   5.21   5.19   4.83   5.20   4.82
_  PHE    21  HB1   _  LEU    44  QD1     4   0.     6.00   9.18   9.02   9.32   9.00   9.02   8.96   9.01   8.98   6.67   8.88
_  LEU    31  HN    _  ALA    32  HA      2   0.     6.00   5.37   5.41   5.28   5.49   5.43   5.36   5.12   5.35   5.37   5.45
_  ALA    32  HA    _  THR    35  HN      3   0.     6.00   5.12   5.11   5.06   5.07   5.10   5.11   5.11   5.11   5.25   5.10
_  VAL    66  HB    _  SER    67  HN      2   0.     5.00   2.42   2.48   2.33   2.41   2.40   2.43   2.42   2.32   2.42   2.35
_  GLU    23  HN    _  GLU    23  HG1     1   0.     5.00   4.09   4.48   4.43   3.95   4.48   4.48   4.47   4.46   4.45   4.50
_  GLU    23  HN    _  GLU    23  HG2     1   0.     5.00   3.02   4.75   4.72   2.94   4.75   4.74   4.73   4.73   4.58   4.72
_  GLU    23  HG2   _  GLU    24  HN      2   0.     5.00   5.00   2.83   2.80   5.08   2.82   2.83   2.88   2.85   3.07   2.78
_  GLU    23  HG1   _  GLU    24  HN      2   0.     5.00   4.21   2.85   2.90   4.28   2.85   2.86   2.96   2.89   3.11   2.84
_  THR    35  HB    _  THR    82  HN      4   0.     6.00   5.30   5.34   5.05   5.57   5.36   5.26   5.13   5.31   5.20   5.39
_  LEU    31  HN    _  THR    35  HB      3   0.     6.00   5.39   5.39   5.47   5.46   5.38   5.36   5.71   5.39   5.61   5.42
_  GLY    34  HN    _  THR    35  HA      2   0.     6.00   5.03   5.03   5.06   5.06   5.03   5.04   4.97   5.04   4.96   5.02
_  PRO     6  HA    _  GLU     7  HN      2   0.     5.00   2.19   2.53   2.59   2.61   2.18   2.22   2.64   2.17   2.19   2.16
_  VAL    48  HA    _  GLU    49  HA      2   0.     5.00   4.41   4.42   4.42   4.41   4.41   4.42   4.42   4.40   4.42   4.41
_  TYR    10  HN    _  ARG    11  HA      2   0.     5.00   4.42   4.78   4.91   4.40   4.45   4.41   4.41   4.92   4.42   4.91
_  ASP    30  HN    _  LEU    31  HA      2   0.     6.00   5.13   5.19   5.23   5.23   5.21   5.21   5.11   5.16   5.09   5.19
_  GLU    24  HA    _  ILE    25  HA      2   0.     6.00   4.41   4.40   4.40   4.41   4.40   4.40   4.41   4.40   4.41   4.40
_  ASN     4  HB2   _  LYS     5  HN      2   0.     6.00   2.81   4.26   3.57   3.52   2.74   3.56   2.86   1.83   1.89   1.88
_  ASN     4  HB1   _  LYS     5  HN      2   0.     6.00   3.79   3.64   2.09   2.04   3.76   2.07   3.85   3.16   1.95   1.96
_  VAL    56  HN    _  ASN    57  HB2     2   0.     6.00   5.27   5.23   5.14   5.20   5.14   6.51   6.47   6.60   6.48   6.50
_  VAL    56  HN    _  ASN    57  HB1     2   0.     6.00   5.73   5.79   5.76   5.78   5.58   5.10   5.02   5.14   5.05   5.07
_  GLU    27  HN    _  GLU    27  QG      1   0.     5.00   3.14   3.12   4.42   3.09   3.14   3.18   4.43   3.15   2.97   3.44
_  GLU    27  QG    _  ASN    28  HN      2   0.     5.00   4.43   4.43   2.93   4.48   4.43   4.40   3.55   4.40   4.53   4.42
_  GLU    27  QG    _  THR    82  QG2     4   0.     6.00   5.18   5.11   3.31   5.26   5.13   5.33   3.48   5.22   5.16   5.27
_  GLU    60  HG1   _  SER    62  HN      3   0.     5.00   3.76   3.93   3.80   3.72   3.74   3.77   3.84   3.84   3.82   3.81
_  GLU    60  HG2   _  SER    62  HN      3   0.     5.00   3.98   4.01   3.98   3.97   3.98   3.99   4.02   3.96   4.00   3.98
_  ARG    52  HN    _  ARG    52  HG2     1   0.     6.00   4.63   4.70   4.62   4.64   4.74   4.63   4.63   4.66   4.63   4.69
_  ARG    52  HN    _  ARG    52  HG1     1   0.     6.00   4.44   4.45   4.41   4.45   4.45   4.44   4.44   4.51   4.44   4.49
_  TYR    10  HA    _  ARG    52  HG2     4   0.     6.00   3.59   4.07   4.32   3.54   3.66   3.52   3.50   4.19   3.59   4.26
_  TYR    10  HA    _  ARG    52  HG1     4   0.     6.00   3.43   3.88   4.21   3.35   3.47   3.33   3.33   3.72   3.41   3.82
_  ILE    25  HN    _  ILE    25  HG11    1   0.     5.00   4.02   3.99   3.92   3.98   3.99   3.98   3.93   3.98   2.56   2.57
_  ILE    25  HN    _  ILE    25  HG12    1   0.     5.00   2.80   2.77   2.67   2.75   2.77   2.76   2.69   2.75   3.95   3.96
_  PHE    21  HB2   _  LEU    44  QD2     4   0.     6.00   5.01   4.86   5.09   4.92   4.85   4.77   4.83   4.83   6.17   4.76
_  ILE    19  HN    _  ILE    19  HG12    1   0.     6.00   3.91   2.75   2.77   3.96   3.95   4.00   3.94   2.72   3.95   2.75
_  ILE    19  HN    _  ILE    19  HG11    1   0.     6.00   2.49   3.97   4.00   2.56   2.54   2.62   2.54   3.95   2.54   3.98
_  ILE    19  HG11  _  ASP    20  HN      2   0.     6.00   5.17   4.45   4.40   5.16   5.17   5.16   5.16   4.48   5.18   4.44
_  ILE    19  HG12  _  ASP    20  HN      2   0.     6.00   5.46   5.01   4.98   5.47   5.51   5.50   5.46   5.02   5.53   5.00
_  ILE    19  HG11  _  LYS    46  HA      4   0.     6.00   3.57   4.41   4.26   2.25   2.43   2.35   2.45   4.16   2.36   4.37
_  LEU    31  HB2   _  GLY    81  HA2     4   0.     6.00   3.09   3.02   2.92   3.06   3.00   2.95   2.95   3.11   2.94   3.00
_  LEU    31  HB1   _  GLY    81  HA2     4   0.     6.00   2.54   2.52   2.77   2.75   2.49   2.49   2.78   2.55   2.32   2.51
_  TYR    10  QE    _  PHE    54  HN      4   0.     6.00   7.68   6.36   7.01   7.69   7.76   7.85   7.85   7.07   7.71   7.04
_  TYR    10  HN    _  TYR    10  QE      1   0.     6.00   5.45   5.48   5.57   5.45   5.45   5.34   5.38   5.57   5.46   5.62
_  TYR    10  QE    _  PHE    54  HZ      4   0.     5.00   5.21   5.31   5.32   5.13   5.17   5.05   5.18   5.17   5.32   5.45
_  TYR    10  HA    _  TYR    10  QE      1   0.     5.00   4.90   4.83   4.85   4.90   4.90   4.91   4.93   4.85   4.90   4.84
_  TYR    10  HN    _  TYR    10  QD      1   0.     5.00   3.57   3.55   3.65   3.57   3.57   3.48   3.52   3.65   3.57   3.68
_  TYR    10  QD    _  PHE    54  HN      4   0.     6.00   6.82   5.78   6.44   6.85   6.90   6.95   6.95   6.55   6.85   6.54
_  PHE    21  QD    _  GLY    45  HN      4   0.     6.00   6.03   5.99   6.19   5.80   6.03   6.10   5.99   5.92   6.37   6.03
_  PHE    21  QD    _  LEU    44  HA      4   0.     5.00   4.46   4.39   4.61   4.26   4.43   4.47   4.39   4.34   4.51   4.39
_  PHE    54  HN    _  PHE    54  QD      1   0.     5.00   4.25   4.23   4.26   4.26   4.26   4.26   4.26   4.30   4.25   4.28
_  PHE    54  QE    _  SER    55  HN      2   0.     5.00   4.71   4.85   4.61   4.83   4.98   4.87   4.91   5.03   4.90   4.88
_  LEU     9  HA    _  PHE    54  QD      4   0.     6.00   7.15   6.85   7.10   7.18   7.32   7.28   7.25   7.29   7.19   7.42
_  TYR    10  QD    _  PHE    54  HZ      4   0.     6.00   6.96   6.87   7.08   6.94   6.96   6.84   6.96   7.04   7.07   7.27
_  LYS     5  HN    _  PRO     6  QD      2   0.     6.00   4.79   4.93   4.79   4.76   4.78   4.77   2.20   4.82   1.86   1.89
_  PRO     6  QD    _  GLU     7  HN      2   0.     6.00   5.56   4.74   4.62   4.57   5.55   5.57   5.33   5.46   5.57   5.50
_  TYR    10  QD    _  ARG    52  QD      4   0.     5.00   4.11   4.00   4.41   4.15   4.15   4.24   4.20   4.38   4.11   4.30
_  ILE    15  HN    _  ILE    15  QG1     1   0.     5.00   3.32   3.13   3.25   3.16   3.21   3.18   3.14   3.32   3.17   3.29
_  ILE    15  HA    _  ILE    15  QG1     1   0.     5.00   2.63   2.62   2.63   2.61   2.62   2.63   2.62   2.62   2.62   2.62
_  ILE    19  HN    _  LEU    44  QQD     4   0.     6.00   4.93   5.10   5.49   5.21   5.15   5.13   5.06   5.12   5.63   5.09
_  ILE    19  HA    _  ASP    20  QB      2   0.     6.00   5.05   5.04   5.01   5.05   5.05   5.05   5.05   5.04   5.05   5.04
_  ILE    19  HB    _  GLY    45  QA      4   0.     5.00   2.80   2.99   3.09   3.15   2.98   3.04   2.97   3.04   3.09   3.01
_  ILE    19  QG2   _  PRO    73  QD      4   0.     5.00   3.82   3.67   3.68   3.64   3.69   3.66   3.65   3.69   3.62   3.62
_  ILE    19  QG1   _  ASP    20  HN      2   0.     5.00   5.25   4.66   4.62   5.25   5.27   5.26   5.24   4.68   5.29   4.65
_  ILE    19  QG1   _  LYS    46  HA      4   0.     5.00   4.20   3.54   3.39   2.96   3.13   3.07   3.15   3.30   3.10   3.51
_  ASP    20  HA    _  LEU    44  QQD     4   0.     5.00   4.00   3.84   3.86   3.85   3.85   3.82   3.90   3.84   3.74   3.84
_  ASP    20  QB    _  LEU    44  QQD     4   0.     6.00   6.49   6.29   5.33   6.31   6.31   6.29   6.39   6.31   6.19   6.32
_  PHE    21  HN    _  LEU    44  QQD     4   0.     6.00   5.50   5.11   5.62   5.18   5.15   5.04   5.35   5.05   4.81   4.98
_  PHE    21  QB    _  GLN    22  HN      2   0.     6.00   3.08   3.08   3.11   3.13   3.08   3.10   3.09   3.09   3.13   3.07
_  PHE    21  QB    _  LEU    44  QQD     4   0.     6.00   7.04   6.87   7.15   6.90   6.87   6.80   6.86   6.84   6.29   6.75
_  PHE    21  QB    _  SER    74  HN      4   0.     6.00   3.32   3.21   3.42   3.67   3.23   3.17   3.30   3.27   3.17   3.17
_  GLN    22  HN    _  GLN    22  QB      1   0.     5.00   3.02   3.03   3.04   3.04   3.03   3.04   3.03   3.04   2.53   3.03
_  GLN    22  QB    _  GLU    23  HA      2   0.     5.00   4.52   4.51   4.55   4.52   4.51   4.51   4.56   4.54   5.48   4.52
_  GLU    24  QB    _  ILE    25  HA      2   0.     6.00   5.23   5.28   5.34   5.26   5.28   5.29   5.27   5.28   5.36   5.33
_  ILE    25  HN    _  GLN    26  QG      2   0.     6.00   4.76   4.73   4.85   4.79   4.74   4.73   4.91   4.79   5.17   4.91
_  GLN    26  HN    _  GLN    26  QG      1   0.     6.00   3.42   3.45   3.41   3.42   3.45   3.44   3.28   3.43   3.26   3.39
_  GLN    26  HA    _  GLN    26  QG      1   0.     6.00   2.71   2.71   2.71   2.71   2.71   2.71   2.71   2.71   2.70   2.72
_  GLN    26  HA    _  GLN    26  QE2     1   0.     6.00   5.39   5.41   5.37   5.42   5.41   5.45   5.34   5.41   5.43   5.37
_  GLN    26  QB    _  GLN    26  QE2     1   0.     6.00   4.33   4.34   4.31   4.34   4.34   4.36   4.30   4.34   4.34   4.33
_  GLN    26  QG    _  GLN    26  QE2     1   0.     6.00   2.91   2.91   2.92   2.91   2.91   2.90   2.92   2.91   2.91   2.92
_  GLN    26  QG    _  GLU    27  HN      2   0.     6.00   4.45   4.46   4.49   4.44   4.45   4.48   4.50   4.45   4.88   4.35
_  ASN    28  HN    _  ASN    28  QB      1   0.     5.00   2.92   2.86   2.77   2.84   2.88   2.82   2.51   2.92   2.85   2.92
_  ASN    28  HN    _  PRO    29  QD      2   0.     5.00   4.22   4.27   4.38   4.34   4.23   4.37   4.60   4.25   4.28   4.23
_  ASN    28  HA    _  ASN    28  QD2     1   0.     5.00   4.34   4.34   4.38   4.37   4.35   4.38   4.38   4.38   4.30   4.32
_  ASN    28  HA    _  PRO    29  QG      2   0.     5.00   4.19   4.24   4.25   4.26   4.25   4.23   4.18   4.18   4.18   4.24
_  ASN    28  QB    _  GLY    81  HN      4   0.     6.00   5.25   5.16   5.54   5.32   5.19   5.11   5.53   5.34   5.19   5.41
_  ASN    28  QB    _  GLY    81  QA      4   0.     5.00   4.61   4.52   5.04   4.85   4.55   4.53   4.99   4.68   4.25   4.67
_  ASN    28  QD2   _  ASP    30  QB      3   0.     5.00   4.26   4.21   3.95   4.11   4.19   3.95   3.88   4.05   4.35   4.21
_  ASN    28  QD2   _  LEU    31  QQD     3   0.     5.00   3.97   3.96   3.97   4.09   3.96   4.01   3.95   4.04   3.94   4.07
_  PRO    29  QB    _  ASP    30  HN      2   0.     6.00   4.01   3.57   3.49   3.46   3.57   3.53   4.00   4.01   4.02   3.56
_  PRO    29  QB    _  GLY    81  QA      4   0.     6.00   7.19   7.44   7.76   7.48   7.33   7.59   7.78   7.20   7.26   7.30
_  PRO    29  QD    _  ASP    30  HN      2   0.     6.00   3.28   3.30   3.33   3.38   3.30   3.31   3.26   3.28   3.29   3.29
_  PRO    29  QD    _  ASP    30  QB      2   0.     6.00   5.94   5.98   6.04   6.08   5.99   6.00   5.92   5.95   5.93   5.97
_  LEU    31  HN    _  LEU    31  QB      1   0.     5.00   3.04   3.02   3.02   2.97   3.01   3.02   3.08   3.05   3.04   3.00
_  LEU    31  HN    _  GLY    81  QA      4   0.     5.00   3.86   3.82   4.01   3.96   3.79   3.82   4.02   3.87   3.81   3.83
_  LEU    31  QB    _  ALA    32  HN      2   0.     5.00   3.18   3.24   3.41   3.36   3.24   3.20   3.29   3.17   3.13   3.28
_  LEU    31  QB    _  GLY    81  QA      4   0.     5.00   2.56   2.51   2.45   2.53   2.51   2.45   2.45   2.56   2.53   2.51
_  LEU    31  QQD   _  ALA    32  HN      2   0.     5.00   4.74   4.75   4.87   4.79   4.75   4.73   4.82   4.74   4.68   4.78
_  ALA    32  HA    _  GLY    81  QA      4   0.     6.00   5.07   5.02   4.55   4.83   5.03   4.97   4.30   5.04   5.31   5.06
_  GLU    33  HA    _  GLY    81  QA      4   0.     6.00   3.72   3.72   3.66   3.43   3.75   3.88   3.63   3.70   3.96   3.72
_  GLU    33  QB    _  GLY    34  HN      2   0.     5.00   4.22   4.22   4.19   4.21   4.23   4.23   4.15   4.22   4.20   4.23
_  GLU    33  QG    _  GLY    34  HN      2   0.     5.00   3.21   3.21   3.14   3.18   3.23   3.23   3.03   3.20   3.16   3.23
_  GLU    33  QG    _  GLY    34  QA      2   0.     5.00   4.17   4.17   4.20   4.17   4.18   4.16   4.26   4.17   4.19   4.18
_  THR    35  HN    _  GLY    81  QA      4   0.     6.00   3.52   3.57   3.73   3.57   3.59   3.57   3.92   3.51   3.75   3.60
_  THR    35  HB    _  GLY    81  QA      4   0.     5.00   2.96   3.00   3.15   3.20   3.04   2.93   3.40   2.97   2.89   3.05
_  VAL    38  QQG   _  GLN    40  HN      3   0.     5.00   4.51   4.53   4.75   4.60   4.54   4.48   4.48   4.52   4.69   4.62
_  LYS    39  HN    _  LYS    39  QB      1   0.     5.00   2.46   2.46   2.47   2.47   2.46   2.46   2.46   2.46   3.01   2.48
_  GLN    40  HA    _  GLN    40  QE2     1   0.     6.00   5.56   5.57   5.59   5.57   5.57   5.56   5.54   5.56   5.54   5.54
_  GLN    40  QE2   _  SER    74  HN      4   0.     6.00   5.55   5.55   5.72   5.91   5.55   5.55   5.46   5.46   5.47   5.48
_  GLN    40  QE2   _  SER    74  QB      4   0.     6.00   4.08   4.10   4.19   4.25   4.10   4.10   4.03   4.01   4.02   3.99
_  GLN    40  QE2   _  ILE    77  QG1     4   0.     6.00   6.01   5.92   5.79   6.02   5.91   5.94   6.02   5.95   5.85   6.06
_  LEU    44  HN    _  LEU    44  QQD     1   0.     5.00   4.08   4.08   4.14   4.02   4.09   4.12   4.10   4.09   3.98   4.10
_  LEU    44  HA    _  LEU    44  QQD     1   0.     5.00   3.49   3.49   3.48   3.49   3.49   3.49   3.50   3.49   3.75   3.49
_  LEU    44  QB    _  GLY    45  HN      2   0.     5.00   3.39   3.40   3.34   3.49   3.39   3.39   3.35   3.43   3.31   3.36
_  LEU    44  QQD   _  GLY    45  HN      2   0.     5.00   4.83   4.82   4.81   4.87   4.83   4.84   4.79   4.85   5.12   4.80
_  GLY    45  QA    _  THR    71  QG2     4   0.     5.00   4.53   4.09   3.73   4.36   4.11   3.99   4.03   4.00   3.71   4.04
_  LYS    46  HA    _  LYS    46  QD      1   0.     5.00   4.43   4.71   4.36   4.72   4.70   4.37   4.70   4.72   4.35   4.71
_  LYS    46  QB    _  LYS    46  QE      1   0.     5.00   4.31   2.97   2.92   4.31   2.97   2.94   2.95   4.31   2.95   2.99
_  LYS    46  QB    _  LYS    47  HN      2   0.     5.00   4.17   4.20   4.24   3.61   4.19   4.24   4.20   3.49   4.23   4.21
_  ILE    50  HN    _  ILE    50  QG1     1   0.     5.00   3.16   3.13   3.22   3.06   3.17   3.12   3.08   3.09   3.10   3.25
_  ILE    50  HA    _  ILE    50  QG1     1   0.     5.00   2.65   2.63   2.64   2.63   2.64   2.63   2.64   2.64   2.64   2.64
_  ILE    50  QG1   _  VAL    51  HN      2   0.     6.00   4.67   4.66   4.65   4.64   4.64   4.62   4.65   4.69   4.64   4.65
_  ILE    50  QG1   _  SER    67  QB      4   0.     5.00   5.63   5.11   4.46   4.88   5.70   4.94   5.63   5.12   5.65   5.21
_  ARG    52  HN    _  ARG    52  QB      1   0.     5.00   2.50   2.62   2.47   2.51   2.71   2.49   2.49   2.63   2.50   2.67
_  ARG    52  QD    _  VAL    66  QQG     4   0.     6.00   6.19   5.67   6.26   6.10   6.24   6.28   6.21   6.00   6.21   5.91
_  SER    55  HA    _  GLU    60  QG      4   0.     6.00   4.85   5.21   4.87   4.67   4.64   4.73   4.81   4.77   4.84   4.80
_  SER    55  HA    _  VAL    61  QQG     4   0.     5.00   4.32   4.58   4.14   4.38   4.45   4.41   4.37   4.82   4.36   4.48
_  SER    55  QB    _  GLU    60  QG      4   0.     6.00   5.30   6.26   4.93   5.26   5.31   5.31   6.03   5.63   6.11   6.13
_  ASN    57  QB    _  ASN    57  QD2     1   0.     6.00   2.88   2.92   2.93   2.95   2.87   2.93   2.94   2.88   2.92   2.93
_  ASN    57  QB    _  LYS    58  HN      2   0.     6.00   4.36   4.36   4.35   4.37   4.35   4.29   4.28   4.29   4.29   4.29
_  ASN    57  QB    _  LYS    58  HA      2   0.     6.00   6.10   6.11   6.11   6.15   6.07   5.85   5.82   5.84   5.84   5.85
_  GLU    59  HN    _  GLU    59  QG      1   0.     6.00   4.59   4.61   4.53   4.59   4.61   4.60   4.59   4.66   4.59   4.60
_  GLU    60  HN    _  GLU    60  QG      1   0.     5.00   4.39   4.39   4.39   4.39   4.39   4.39   4.39   4.39   4.39   4.39
_  GLU    60  QG    _  VAL    61  HN      2   0.     5.00   2.99   3.13   3.03   2.92   2.95   2.98   3.02   3.08   3.02   3.03
_  GLU    60  QG    _  SER    62  HN      3   0.     5.00   3.77   3.87   3.79   3.75   3.76   3.78   3.83   3.80   3.81   3.79
_  VAL    61  HN    _  VAL    61  QQG     1   0.     5.00   3.66   3.68   3.68   3.66   3.66   3.66   3.68   3.67   3.68   3.68
_  VAL    61  QQG   _  SER    62  HN      2   0.     5.00   3.89   3.90   3.91   3.86   3.86   3.88   3.88   3.91   3.88   3.90
_  ARG    63  QB    _  ARG    63  QD      1   0.     5.00   2.47   2.47   2.47   2.47   2.47   2.47   2.47   2.47   2.47   2.47
_  ILE    65  HA    _  ILE    65  QG1     1   0.     5.00   2.59   2.60   2.60   2.60   2.59   2.60   2.59   2.59   2.59   2.59
_  ALA    72  HN    _  PRO    73  QD      2   0.     5.00   4.88   4.89   4.92   4.86   4.88   4.88   4.89   4.89   4.91   4.89
_  ALA    72  HA    _  PRO    73  QD      2   0.     5.00   2.10   2.10   2.12   2.07   2.09   2.09   2.10   2.11   2.12   2.10
_  ALA    72  QB    _  PRO    73  QD      2   0.     5.00   3.72   3.73   3.74   3.82   3.75   3.77   3.72   3.71   3.69   3.72
_  ILE    77  HN    _  ILE    77  QG1     1   0.     5.00   3.38   3.37   3.35   3.37   3.37   3.38   3.36   3.33   3.39   3.34
_  ILE    77  QG2   _  ILE    77  QG1     1   0.     5.00   3.27   3.27   3.28   3.28   3.27   3.27   3.28   3.28   3.28   3.27
_  GLU    79  HA    _  LYS    80  QB      2   0.     5.00   4.41   4.42   4.42   4.41   4.41   4.40   4.52   4.41   4.33   4.47
_  LYS    80  HA    _  LYS    80  QG      1   0.     5.00   2.75   2.75   2.75   2.75   2.75   2.76   2.74   2.75   2.76   2.75
_  LYS    80  HA    _  GLY    81  QA      2   0.     5.00   4.29   4.29   4.29   4.29   4.29   4.32   4.27   4.28   4.32   4.28
$ END

$ DATA  RESTRAINT_VIOLATIONS
$ TABLE #RECORDS 472 #ITEMS 21
Chn Resnm Res Atom  Chn Resnm Res Atom  Type  LoBnd UpBnd Str_01 Str_02 Str_03 Str_04 Str_05 Str_06 Str_07 Str_08 Str_09 Str_10
_  GLU    59  HN    _  GLU    60  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    82  HN    _  LYS    83  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    15  HN    _  GLU    16  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    57  HN    _  LYS    58  HN      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    39  HN    _  GLU    79  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    78  HN    _  GLU    79  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ARG    37  HN    _  GLU    79  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    26  HN    _  GLU    27  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    17  HN    _  LYS    18  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    15  HN    _  GLU    49  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    24  HN    _  VAL    78  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    46  HN    _  THR    71  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLY    45  HN    _  LYS    46  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  SER    74  HN    _  SER    74  HB2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    33  HA    _  GLY    34  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LEU     9  HA    _  TYR    10  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    61  HN    _  SER    62  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  SER    55  HA    _  VAL    61  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    56  HN    _  VAL    61  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  SER    55  HA    _  SER    62  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  SER    55  HA    _  VAL    56  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    57  HB1   _  ASN    57  HD21    1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    57  HB2   _  ASN    57  HD22    1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    57  HB1   _  LYS    58  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    57  HB2   _  LYS    58  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  TYR    10  HN    _  SER    55  HN      4   0.     5.00   0.07   0.13   0.10   0.06   0.03   0.07   0.04   0.     0.     0.03
_  VAL    56  HN    _  GLU    59  HN      3   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  SER    55  HN    _  SER    55  QB      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ARG    11  HN    _  SER    55  HN      4   0.     5.00   0.     0.     0.06   0.     0.     0.     0.     0.06   0.     0.08
_  ALA    32  HA    _  GLU    33  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    38  HA    _  GLN    40  HN      3   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLY    81  HN    _  THR    82  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    35  HN    _  GLY    81  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    80  HA    _  GLY    81  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    35  HB    _  GLY    81  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  HB1   _  GLY    81  HN      4   0.     6.00   0.     0.     0.21   0.     0.     0.     0.20   0.01   0.     0.08
_  LYS    46  HN    _  THR    71  QG2     4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  HN    _  GLY    45  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  HA    _  ASN    28  HD21    1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  HA    _  ASN    28  HD22    1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    71  HB    _  ALA    72  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ALA    72  HN    _  PRO    73  HD2     2   0.     5.00   0.04   0.02   0.03   0.     0.01   0.     0.03   0.03   0.04   0.04
_  LYS    83  HN    _  LYS    84  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LEU     9  QB    _  TYR    10  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  TYR    10  HN    _  PHE    54  QD      4   0.     6.00   1.27   0.72   1.23   1.29   1.42   1.21   1.28   1.43   1.33   1.54
_  LEU     9  HN    _  TYR    10  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  TYR    10  HN    _  ARG    11  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    39  HN    _  GLN    40  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    14  HN    _  ILE    15  HN      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    23  HN    _  GLU    24  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    23  HA    _  GLU    24  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    78  HN    _  GLU    79  HA      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    78  HN    _  VAL    78  HB      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    25  HN    _  GLN    26  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    79  HN    _  LYS    80  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    40  HN    _  GLU    79  HN      4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    78  HA    _  GLU    79  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    71  HN    _  ALA    72  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    35  HN    _  THR    35  HB      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    33  HA    _  THR    35  HN      3   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  HB1   _  LEU    31  HN      3   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  HN    _  ASN    28  HB2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  SER    55  QB    _  VAL    61  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PHE    21  HB1   _  GLN    22  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  SER    55  QB    _  LYS    58  HN      3   0.     5.00   0.20   0.13   0.     0.34   0.31   0.20   0.     0.08   0.     0.
_  ASN    57  HA    _  GLU    59  HN      3   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.03   0.     0.
_  SER    55  QB    _  GLU    60  HN      4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    65  HN    _  ILE    65  QG2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    43  HN    _  SER    74  HB2     4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    43  HN    _  SER    74  HB1     4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  HN    _  LYS    46  HA      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  HN    _  ASP    20  HN      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    18  HN    _  ILE    19  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    66  HN    _  SER    67  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  HN    _  LYS    46  HN      4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    40  HE21  _  SER    74  HA      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    40  HE21  _  ILE    77  QD1     4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    40  HE22  _  ILE    77  QD1     4   0.     6.00   0.04   0.01   0.     0.09   0.     0.03   0.07   0.     0.     0.
_  LYS    43  HN    _  SER    74  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    26  HA    _  GLN    26  HE22    1   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    26  HA    _  GLN    26  HE21    1   0.     6.00   0.     0.     0.     0.     0.     0.01   0.     0.     0.     0.
_  PHE    54  QD    _  SER    62  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASP    20  HN    _  PHE    21  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    57  HA    _  ASN    57  HD22    1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    57  HA    _  ASN    57  HD21    1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    12  HA    _  THR    14  HN      3   0.     6.00   0.20   0.22   0.     0.13   0.30   0.14   0.14   0.     0.24   0.
_  ILE    65  HA    _  SER    67  HN      3   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    68  HA    _  SER    69  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  HN    _  LEU    44  HA      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  TYR    10  HA    _  ARG    11  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    35  HB    _  VAL    36  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PHE    21  QD    _  LEU    44  HN      4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PHE    21  QE    _  LEU    44  HN      4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.33   0.
_  ILE    50  HN    _  SER    67  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    49  HA    _  ILE    50  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    48  HN    _  SER    69  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    58  HN    _  GLU    59  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LEU     9  HN    _  SER    55  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    13  HN    _  THR    14  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  TYR    10  HA    _  SER    55  HN      4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PHE    54  HB1   _  SER    55  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PHE    54  HB2   _  SER    55  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  TYR    10  QB    _  SER    55  HN      4   0.     6.00   0.21   0.07   0.01   0.27   0.15   0.27   0.25   0.     0.16   0.
_  LEU     9  HN    _  PHE    54  QD      4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    26  HE22  _  ILE    77  QG2     4   0.     5.00   0.18   0.52   0.02   0.57   0.45   0.67   0.39   0.52   0.     0.
_  ILE    50  HN    _  ILE    50  HG12    1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PHE    21  QD    _  GLN    22  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PHE    21  HB2   _  GLN    22  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLY    34  HN    _  THR    35  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PHE    21  HA    _  GLN    22  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    16  HA    _  THR    17  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    15  HN    _  ILE    15  HG11    1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    15  HN    _  ILE    15  HG12    1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    15  HN    _  ILE    15  QD1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PRO    73  HA    _  SER    74  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    48  HN    _  GLU    49  HA      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    49  HA    _  SER    67  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.05   0.     0.10
_  GLU    33  HN    _  GLY    34  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASP    30  HN    _  LEU    31  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASP    30  HN    _  ASP    30  HB2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  SER    62  HN    _  ARG    63  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    79  HN    _  GLU    79  QB      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    15  HA    _  GLU    16  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    71  HN    _  ALA    72  HA      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    17  HN    _  LYS    46  HN      4   0.     6.00   0.60   0.64   0.69   0.71   0.68   0.53   0.64   0.65   0.63   0.66
_  THR    17  HN    _  THR    17  HB      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LEU    44  HN    _  GLY    45  HN      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PHE    54  HB2   _  SER    62  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LEU     8  HN    _  LEU     9  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASP    20  HB2   _  PHE    21  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    14  HN    _  THR    14  HB      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    49  HN    _  ILE    50  HN      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    48  HN    _  VAL    48  HB      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LEU    31  HN    _  THR    82  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LEU    31  HN    _  GLY    81  HN      4   0.     6.00   0.     0.     0.     0.     0.     0.     0.10   0.     0.06   0.
_  ARG    63  HN    _  GLU    64  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    12  HN    _  GLU    13  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ARG    11  HN    _  GLU    12  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    22  HN    _  SER    74  HN      4   0.     6.00   0.08   0.     0.34   0.47   0.     0.     0.03   0.03   0.     0.
_  GLU    33  HA    _  GLY    81  HN      4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  HB2   _  GLY    81  HN      4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    60  HN    _  VAL    61  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    80  HN    _  GLY    81  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LEU    44  HG    _  GLY    45  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  TYR    10  HN    _  PHE    54  HA      4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ALA    32  HN    _  ALA    32  QB      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    57  HB2   _  ASN    57  HD21    1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    57  HB1   _  ASN    57  HD22    1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    15  HA    _  ILE    15  HG11    1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    15  HA    _  ILE    15  HG12    1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  SER    55  HA    _  GLU    59  HN      3   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  TYR    10  QB    _  PHE    54  HA      4   0.     5.00   0.17   0.     0.     0.24   0.23   0.23   0.22   0.10   0.19   0.09
_  SER    55  HA    _  GLU    60  HA      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    60  HA    _  SER    62  HN      3   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    56  HN    _  GLU    60  HA      3   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ALA    32  QB    _  THR    35  HG1     3   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ALA    32  HA    _  GLU    33  HA      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ALA    32  HA    _  THR    82  HN      4   0.     5.00   0.06   0.01   0.     0.     0.02   0.     0.     0.01   0.22   0.11
_  GLU    33  HA    _  THR    82  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ALA    32  QB    _  GLU    33  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ALA    32  QB    _  THR    35  HN      3   0.     5.00   0.     0.     0.     0.     0.     0.     0.01   0.     0.     0.
_  LEU    31  HN    _  LEU    31  HB2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LEU    31  HN    _  LEU    31  HB1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LEU    31  HB2   _  ALA    32  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LEU    31  HB1   _  ALA    32  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LEU     8  QB    _  LEU     9  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LEU     8  HN    _  LEU     8  QB      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  HA    _  ASP    20  HB1     2   0.     5.00   0.     0.     0.66   0.     0.     0.     0.     0.     0.     0.
_  ILE    19  HA    _  ASP    20  HB2     2   0.     5.00   0.68   0.68   0.     0.68   0.68   0.68   0.68   0.68   0.69   0.68
_  ASP    20  HB1   _  PHE    21  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASP    20  HN    _  ASP    20  HB1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASP    20  HN    _  ASP    20  HB2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    25  HN    _  ILE    25  HB      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    24  HA    _  ILE    25  HB      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    83  QG    _  LYS    84  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.01   0.     0.
_  THR    14  QG2   _  ILE    15  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ALA    72  HN    _  ALA    72  QB      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ALA    72  QB    _  PRO    73  HD2     2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  HN    _  ILE    19  QG2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  QG2   _  ASP    20  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ALA    72  QB    _  PRO    73  HD1     2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  HA    _  ILE    19  QG2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  QG2   _  PRO    73  HD1     4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  QG2   _  PRO    73  HD2     4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  QG2   _  ALA    72  HA      4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ALA    72  HA    _  PRO    73  HD2     2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLY    45  HA2   _  THR    71  QG2     4   0.     5.00   0.19   0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  HB    _  GLY    45  HA2     4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  TYR    10  QD    _  ARG    52  HD1     4   0.     5.00   0.     0.     0.26   0.     0.     0.09   0.05   0.     0.     0.
_  TYR    10  QD    _  ARG    52  HD2     4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.24   0.     0.18
_  ALA    72  HN    _  PRO    73  HD1     2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ALA    72  HA    _  PRO    73  HD1     2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  HA    _  PRO    29  HD1     2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    27  HA    _  ASN    28  HA      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  HA    _  ASP    30  HN      3   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  HA    _  LEU    31  HN      3   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  HA    _  PRO    29  HD2     2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  HN    _  PRO    29  HD1     2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PRO    29  HD1   _  ASP    30  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PRO     6  HD2   _  GLU     7  HN      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    26  HE22  _  ILE    77  QD1     4   0.     5.00   1.03   1.42   0.87   1.51   1.33   1.47   1.41   1.45   0.52   0.05
_  LYS    84  HN    _  LYS    84  HA      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    83  HN    _  LYS    84  HA      2   0.     5.00   0.     0.06   0.     0.49   0.     0.     0.     0.     0.     0.
_  GLN    26  HN    _  GLU    79  HA      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    79  HA    _  LYS    80  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    38  HA    _  GLU    79  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    38  HA    _  LYS    39  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    38  HN    _  VAL    38  HB      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    38  HA    _  VAL    38  QG1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    38  HA    _  VAL    38  QG2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    36  HA    _  ARG    37  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  HB1   _  ASP    30  HN      3   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  HN    _  ASN    28  HB1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  HB2   _  ASP    30  HN      3   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  HB2   _  LEU    31  HN      3   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  SER    55  QB    _  GLU    59  HN      3   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  SER    55  QB    _  GLU    60  HA      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PHE    54  HA    _  SER    55  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PHE    54  HA    _  PHE    54  QE      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PHE    54  HA    _  PHE    54  QD      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  TYR    10  HA    _  PHE    54  HA      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  TYR    10  HA    _  TYR    10  QD      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ARG    63  HA    _  GLU    64  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  SER    62  HA    _  ARG    63  HA      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASP    20  HA    _  PHE    21  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  HA    _  ASP    20  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  HA    _  PHE    21  HN      3   0.     6.00   0.36   0.32   0.41   0.35   0.32   0.31   0.37   0.30   0.34   0.28
_  ILE    19  HA    _  ASP    20  HA      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    59  HN    _  GLU    59  HG2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PRO     6  HD1   _  GLU     7  HN      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    57  HB2   _  LYS    58  HA      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.02   0.     0.
_  ILE    65  HN    _  ILE    65  HB      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    70  HA    _  THR    70  QG2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    64  HA    _  ILE    65  HB      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    65  HN    _  ILE    65  HG11    1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    65  HN    _  ILE    65  HG12    1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    65  HN    _  ILE    65  QD1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS     5  HN    _  PRO     6  HD1     2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS     5  HN    _  PRO     6  HD2     2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    26  HE21  _  ILE    77  QD1     4   0.     5.00   0.44   0.87   0.21   0.77   0.77   0.99   0.73   0.82   0.21   0.
_  ILE    77  HA    _  ILE    77  QD1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    77  QD1   _  VAL    78  HN      2   0.     6.00   0.21   0.20   0.21   0.31   0.20   0.18   0.29   0.26   0.38   0.13
_  GLU    59  HN    _  GLU    59  HG1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  SER    74  HN    _  SER    74  HB1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    40  HE21  _  SER    74  HB2     4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    40  HE21  _  SER    74  HB1     4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    40  HE22  _  SER    74  HB1     4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    40  HE22  _  SER    74  HB2     4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    17  HN    _  LYS    46  HA      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    71  HN    _  THR    71  HB      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    46  HN    _  THR    71  HB      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ALA    32  QB    _  THR    35  HB      3   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.18   0.
_  ASN    57  HB1   _  LYS    58  HA      2   0.     5.00   1.55   1.57   1.57   1.59   1.53   0.89   0.82   0.79   0.86   0.87
_  SER    67  HN    _  SER    67  HB1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  SER    67  HN    _  SER    67  HB2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    66  HN    _  SER    67  HB1     2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    66  HN    _  SER    67  HB2     2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    50  HG11  _  SER    67  HB1     4   0.     6.00   0.96   0.44   0.     0.27   1.01   0.31   0.97   0.39   0.99   0.48
_  ILE    50  HG12  _  SER    67  HB1     4   0.     6.00   0.10   0.     0.     0.     0.19   0.     0.07   0.     0.09   0.
_  ILE    50  HB    _  SER    67  HB1     4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    50  HB    _  SER    67  HB2     4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    26  HG1   _  GLN    26  HE22    1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    26  HG2   _  GLN    26  HE22    1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    26  HG1   _  GLN    26  HE21    1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    26  HG2   _  GLN    26  HE21    1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    26  HN    _  GLN    26  HG1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    26  HN    _  GLN    26  HG2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    25  HN    _  GLN    26  HG2     2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    25  HN    _  GLN    26  HG1     2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    26  HA    _  GLN    26  HG1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    26  HA    _  GLN    26  HG2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    12  HA    _  ARG    52  HA      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    12  HA    _  GLU    13  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    12  HA    _  GLU    12  HG2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    12  HA    _  GLU    12  HG1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    53  HN    _  ILE    53  QD1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PHE    21  HB1   _  LEU    44  QD2     4   0.     6.00   0.44   0.30   0.45   0.36   0.29   0.23   0.29   0.26   1.76   0.20
_  LEU    44  HA    _  LEU    44  QD2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PHE    21  HB2   _  LEU    44  QD1     4   0.     6.00   1.74   1.55   1.94   1.57   1.55   1.47   1.54   1.53   0.     1.40
_  LEU    44  HA    _  LEU    44  QD1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    40  HE22  _  SER    74  HA      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    36  HA    _  VAL    36  QQG     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  HG12  _  LYS    46  HA      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    15  HN    _  ILE    15  HB      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    35  HA    _  VAL    36  HA      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    26  HE21  _  ILE    77  QG2     4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    25  HA    _  ILE    25  QD1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    25  HA    _  ILE    25  QG2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    50  HG12  _  SER    67  HB2     4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    50  HG11  _  SER    67  HB2     4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    50  HN    _  ILE    50  HG11    1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    50  HG11  _  VAL    51  HN      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    50  HG12  _  VAL    51  HN      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    49  HA    _  SER    69  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    68  HA    _  SER    69  QB      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    23  HA    _  GLU    23  HG1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    23  HA    _  GLU    23  HG2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ARG    63  HA    _  ARG    63  HD1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ARG    63  HA    _  ARG    63  HD2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    71  HA    _  THR    71  QG2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    71  HN    _  THR    71  QG2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    46  HB1   _  LYS    47  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    46  HB2   _  LYS    47  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    46  HA    _  LYS    46  HD2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    16  HA    _  THR    17  HB      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    46  HA    _  LYS    46  HD1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    46  HN    _  LYS    46  HG1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    46  HN    _  LYS    46  HG2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    46  HG1   _  THR    71  HB      4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    46  HG2   _  THR    71  HB      4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    53  HA    _  ILE    53  QD1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    77  HA    _  ILE    77  QG2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASP    30  HN    _  ASP    30  HB1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  HD22  _  ASP    30  HB1     3   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  HD22  _  ASP    30  HB2     3   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASP    30  HB1   _  LEU    31  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASP    30  HB2   _  LEU    31  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  HD21  _  ASP    30  HB1     3   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  HD21  _  ASP    30  HB2     3   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  HB    _  GLY    45  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PHE    54  HB1   _  SER    62  HN      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PHE    54  QD    _  SER    62  HB2     4   0.     6.00   0.     0.     0.     0.05   0.17   0.08   0.15   0.32   0.     0.14
_  PHE    54  QD    _  SER    62  HB1     4   0.     6.00   0.52   0.     0.27   0.58   0.66   0.58   0.61   0.75   0.50   0.60
_  LYS    83  HN    _  LYS    83  HB1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    83  HN    _  LYS    83  HB2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    14  HB    _  ILE    15  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    35  HN    _  THR    35  QG2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ARG    11  HN    _  GLU    12  HA      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PHE    21  HB1   _  LEU    44  QD1     4   0.     6.00   3.18   3.02   3.32   3.00   3.02   2.96   3.01   2.98   0.67   2.88
_  LEU    31  HN    _  ALA    32  HA      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ALA    32  HA    _  THR    35  HN      3   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    66  HB    _  SER    67  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    23  HN    _  GLU    23  HG1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    23  HN    _  GLU    23  HG2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    23  HG2   _  GLU    24  HN      2   0.     5.00   0.     0.     0.     0.08   0.     0.     0.     0.     0.     0.
_  GLU    23  HG1   _  GLU    24  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    35  HB    _  THR    82  HN      4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LEU    31  HN    _  THR    35  HB      3   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLY    34  HN    _  THR    35  HA      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PRO     6  HA    _  GLU     7  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    48  HA    _  GLU    49  HA      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  TYR    10  HN    _  ARG    11  HA      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASP    30  HN    _  LEU    31  HA      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    24  HA    _  ILE    25  HA      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN     4  HB2   _  LYS     5  HN      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN     4  HB1   _  LYS     5  HN      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    56  HN    _  ASN    57  HB2     2   0.     6.00   0.     0.     0.     0.     0.     0.51   0.47   0.60   0.48   0.50
_  VAL    56  HN    _  ASN    57  HB1     2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    27  HN    _  GLU    27  QG      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    27  QG    _  ASN    28  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    27  QG    _  THR    82  QG2     4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    60  HG1   _  SER    62  HN      3   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    60  HG2   _  SER    62  HN      3   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ARG    52  HN    _  ARG    52  HG2     1   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ARG    52  HN    _  ARG    52  HG1     1   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  TYR    10  HA    _  ARG    52  HG2     4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  TYR    10  HA    _  ARG    52  HG1     4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    25  HN    _  ILE    25  HG11    1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    25  HN    _  ILE    25  HG12    1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PHE    21  HB2   _  LEU    44  QD2     4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.17   0.
_  ILE    19  HN    _  ILE    19  HG12    1   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  HN    _  ILE    19  HG11    1   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  HG11  _  ASP    20  HN      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  HG12  _  ASP    20  HN      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  HG11  _  LYS    46  HA      4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LEU    31  HB2   _  GLY    81  HA2     4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LEU    31  HB1   _  GLY    81  HA2     4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  TYR    10  QE    _  PHE    54  HN      4   0.     6.00   1.68   0.36   1.01   1.69   1.76   1.85   1.85   1.07   1.71   1.04
_  TYR    10  HN    _  TYR    10  QE      1   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  TYR    10  QE    _  PHE    54  HZ      4   0.     5.00   0.21   0.31   0.32   0.13   0.17   0.05   0.18   0.17   0.32   0.45
_  TYR    10  HA    _  TYR    10  QE      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  TYR    10  HN    _  TYR    10  QD      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  TYR    10  QD    _  PHE    54  HN      4   0.     6.00   0.82   0.     0.44   0.85   0.90   0.95   0.95   0.55   0.85   0.54
_  PHE    21  QD    _  GLY    45  HN      4   0.     6.00   0.03   0.     0.19   0.     0.03   0.10   0.     0.     0.37   0.03
_  PHE    21  QD    _  LEU    44  HA      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PHE    54  HN    _  PHE    54  QD      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PHE    54  QE    _  SER    55  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.03   0.     0.
_  LEU     9  HA    _  PHE    54  QD      4   0.     6.00   1.15   0.85   1.10   1.18   1.32   1.28   1.25   1.29   1.19   1.42
_  TYR    10  QD    _  PHE    54  HZ      4   0.     6.00   0.96   0.87   1.08   0.94   0.96   0.84   0.96   1.04   1.07   1.27
_  LYS     5  HN    _  PRO     6  QD      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PRO     6  QD    _  GLU     7  HN      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  TYR    10  QD    _  ARG    52  QD      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    15  HN    _  ILE    15  QG1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    15  HA    _  ILE    15  QG1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  HN    _  LEU    44  QQD     4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  HA    _  ASP    20  QB      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  HB    _  GLY    45  QA      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  QG2   _  PRO    73  QD      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    19  QG1   _  ASP    20  HN      2   0.     5.00   0.25   0.     0.     0.25   0.27   0.26   0.24   0.     0.29   0.
_  ILE    19  QG1   _  LYS    46  HA      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASP    20  HA    _  LEU    44  QQD     4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASP    20  QB    _  LEU    44  QQD     4   0.     6.00   0.49   0.29   0.     0.31   0.31   0.29   0.39   0.31   0.19   0.32
_  PHE    21  HN    _  LEU    44  QQD     4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PHE    21  QB    _  GLN    22  HN      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PHE    21  QB    _  LEU    44  QQD     4   0.     6.00   1.04   0.87   1.15   0.90   0.87   0.80   0.86   0.84   0.29   0.75
_  PHE    21  QB    _  SER    74  HN      4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    22  HN    _  GLN    22  QB      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    22  QB    _  GLU    23  HA      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.48   0.
_  GLU    24  QB    _  ILE    25  HA      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    25  HN    _  GLN    26  QG      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    26  HN    _  GLN    26  QG      1   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    26  HA    _  GLN    26  QG      1   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    26  HA    _  GLN    26  QE2     1   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    26  QB    _  GLN    26  QE2     1   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    26  QG    _  GLN    26  QE2     1   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    26  QG    _  GLU    27  HN      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  HN    _  ASN    28  QB      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  HN    _  PRO    29  QD      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  HA    _  ASN    28  QD2     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  HA    _  PRO    29  QG      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  QB    _  GLY    81  HN      4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  QB    _  GLY    81  QA      4   0.     5.00   0.     0.     0.04   0.     0.     0.     0.     0.     0.     0.
_  ASN    28  QD2   _  ASP    30  QB      3   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    28  QD2   _  LEU    31  QQD     3   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PRO    29  QB    _  ASP    30  HN      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PRO    29  QB    _  GLY    81  QA      4   0.     6.00   1.19   1.44   1.76   1.48   1.33   1.59   1.78   1.20   1.26   1.30
_  PRO    29  QD    _  ASP    30  HN      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  PRO    29  QD    _  ASP    30  QB      2   0.     6.00   0.     0.     0.04   0.08   0.     0.     0.     0.     0.     0.
_  LEU    31  HN    _  LEU    31  QB      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LEU    31  HN    _  GLY    81  QA      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LEU    31  QB    _  ALA    32  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LEU    31  QB    _  GLY    81  QA      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LEU    31  QQD   _  ALA    32  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ALA    32  HA    _  GLY    81  QA      4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    33  HA    _  GLY    81  QA      4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    33  QB    _  GLY    34  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    33  QG    _  GLY    34  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    33  QG    _  GLY    34  QA      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    35  HN    _  GLY    81  QA      4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  THR    35  HB    _  GLY    81  QA      4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    38  QQG   _  GLN    40  HN      3   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    39  HN    _  LYS    39  QB      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    40  HA    _  GLN    40  QE2     1   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    40  QE2   _  SER    74  HN      4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    40  QE2   _  SER    74  QB      4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLN    40  QE2   _  ILE    77  QG1     4   0.     6.00   0.01   0.     0.     0.02   0.     0.     0.02   0.     0.     0.06
_  LEU    44  HN    _  LEU    44  QQD     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LEU    44  HA    _  LEU    44  QQD     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LEU    44  QB    _  GLY    45  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LEU    44  QQD   _  GLY    45  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.12   0.
_  GLY    45  QA    _  THR    71  QG2     4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    46  HA    _  LYS    46  QD      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    46  QB    _  LYS    46  QE      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    46  QB    _  LYS    47  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    50  HN    _  ILE    50  QG1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    50  HA    _  ILE    50  QG1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    50  QG1   _  VAL    51  HN      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    50  QG1   _  SER    67  QB      4   0.     5.00   0.63   0.11   0.     0.     0.70   0.     0.63   0.12   0.65   0.21
_  ARG    52  HN    _  ARG    52  QB      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ARG    52  QD    _  VAL    66  QQG     4   0.     6.00   0.19   0.     0.26   0.10   0.24   0.28   0.21   0.     0.21   0.
_  SER    55  HA    _  GLU    60  QG      4   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  SER    55  HA    _  VAL    61  QQG     4   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  SER    55  QB    _  GLU    60  QG      4   0.     6.00   0.     0.26   0.     0.     0.     0.     0.03   0.     0.11   0.13
_  ASN    57  QB    _  ASN    57  QD2     1   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    57  QB    _  LYS    58  HN      2   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ASN    57  QB    _  LYS    58  HA      2   0.     6.00   0.10   0.11   0.11   0.15   0.07   0.     0.     0.     0.     0.
_  GLU    59  HN    _  GLU    59  QG      1   0.     6.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    60  HN    _  GLU    60  QG      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    60  QG    _  VAL    61  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    60  QG    _  SER    62  HN      3   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    61  HN    _  VAL    61  QQG     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  VAL    61  QQG   _  SER    62  HN      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ARG    63  QB    _  ARG    63  QD      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    65  HA    _  ILE    65  QG1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ALA    72  HN    _  PRO    73  QD      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ALA    72  HA    _  PRO    73  QD      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ALA    72  QB    _  PRO    73  QD      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    77  HN    _  ILE    77  QG1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  ILE    77  QG2   _  ILE    77  QG1     1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  GLU    79  HA    _  LYS    80  QB      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    80  HA    _  LYS    80  QG      1   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
_  LYS    80  HA    _  GLY    81  QA      2   0.     5.00   0.     0.     0.     0.     0.     0.     0.     0.     0.     0.
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_OVERALL
$ TABLE #RECORDS 1 #ITEMS 19
Structure NumUPPv MaxUPPv TotUPPv Av1UPPv sd1UPPv Av2UPPv sd2UPPv NumLOWv MaxLOWv TotLOWv Av1LOWv sd1LOWv Av2LOWv sd2LOWv NumBIGv MaxBIGv TotBIGv  NRestr
Overall       366    3.32  216.48    0.59    0.63    0.05    0.24       0    0.      0.      0.      0.      0.      0.       169    3.32  184.64    4720
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_per_STRUCTURE
$ TABLE #RECORDS 10 #ITEMS 19
Structure NumUPPv MaxUPPv TotUPPv Av1UPPv sd1UPPv Av2UPPv sd2UPPv NumLOWv MaxLOWv TotLOWv Av1LOWv sd1LOWv Av2LOWv sd2LOWv NumBIGv MaxBIGv TotBIGv  NRestr
Str_01         39    3.18   23.25    0.60    0.64    0.05    0.25       0    0.      0.      0.      0.      0.      0.        19    3.18   20.38     472
Str_02         31    3.02   18.33    0.59    0.64    0.04    0.22       0    0.      0.      0.      0.      0.      0.        14    3.02   15.45     472
Str_03         32    3.32   20.35    0.64    0.72    0.04    0.25       0    0.      0.      0.      0.      0.      0.        15    3.32   17.68     472
Str_04         37    3.00   23.83    0.64    0.64    0.05    0.25       0    0.      0.      0.      0.      0.      0.        18    3.00   20.25     472
Str_05         38    3.02   24.28    0.64    0.64    0.05    0.25       0    0.      0.      0.      0.      0.      0.        18    3.02   20.96     472
Str_06         37    2.96   22.41    0.61    0.64    0.05    0.24       0    0.      0.      0.      0.      0.      0.        17    2.96   19.28     472
Str_07         41    3.01   24.20    0.59    0.63    0.05    0.25       0    0.      0.      0.      0.      0.      0.        18    3.01   20.44     472
Str_08         38    2.98   21.02    0.55    0.61    0.04    0.23       0    0.      0.      0.      0.      0.      0.        17    2.98   18.18     472
Str_09         39    1.76   20.16    0.52    0.45    0.04    0.19       0    0.      0.      0.      0.      0.      0.        17    1.76   15.64     472
Str_10         34    2.88   18.64    0.55    0.61    0.04    0.22       0    0.      0.      0.      0.      0.      0.        16    2.88   16.39     472
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_per_RESTRAINT
$ TABLE #RECORDS 472 #ITEMS 18
Chn Resnm Res Atom  Chn Resnm Res Atom  NumUPPv MaxUPPv TotUPPv NumLOWv MaxLOWv TotLOWv NumBIGv MaxBIGv TotBIGv  NRestr
_  GLU    59  HN    _  GLU    60  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    82  HN    _  LYS    83  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    15  HN    _  GLU    16  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    57  HN    _  LYS    58  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    39  HN    _  GLU    79  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    78  HN    _  GLU    79  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ARG    37  HN    _  GLU    79  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    26  HN    _  GLU    27  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    17  HN    _  LYS    18  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    15  HN    _  GLU    49  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    24  HN    _  VAL    78  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    46  HN    _  THR    71  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLY    45  HN    _  LYS    46  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  SER    74  HN    _  SER    74  HB2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    33  HA    _  GLY    34  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LEU     9  HA    _  TYR    10  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    61  HN    _  SER    62  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  SER    55  HA    _  VAL    61  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    56  HN    _  VAL    61  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  SER    55  HA    _  SER    62  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  SER    55  HA    _  VAL    56  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    57  HB1   _  ASN    57  HD21        0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    57  HB2   _  ASN    57  HD22        0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    57  HB1   _  LYS    58  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    57  HB2   _  LYS    58  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  TYR    10  HN    _  SER    55  HN          8    0.13    0.53       0    0.      0.         0    0.      0.        10
_  VAL    56  HN    _  GLU    59  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  SER    55  HN    _  SER    55  QB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ARG    11  HN    _  SER    55  HN          3    0.08    0.19       0    0.      0.         0    0.      0.        10
_  ALA    32  HA    _  GLU    33  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    38  HA    _  GLN    40  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLY    81  HN    _  THR    82  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    35  HN    _  GLY    81  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    80  HA    _  GLY    81  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    35  HB    _  GLY    81  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  HB1   _  GLY    81  HN          4    0.21    0.50       0    0.      0.         0    0.      0.        10
_  LYS    46  HN    _  THR    71  QG2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  HN    _  GLY    45  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  HA    _  ASN    28  HD21        0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  HA    _  ASN    28  HD22        0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    71  HB    _  ALA    72  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ALA    72  HN    _  PRO    73  HD2         9    0.04    0.24       0    0.      0.         0    0.      0.        10
_  LYS    83  HN    _  LYS    84  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LEU     9  QB    _  TYR    10  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  TYR    10  HN    _  PHE    54  QD         10    1.54   12.70       0    0.      0.        10    1.54   12.70      10
_  LEU     9  HN    _  TYR    10  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  TYR    10  HN    _  ARG    11  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    39  HN    _  GLN    40  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    14  HN    _  ILE    15  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    23  HN    _  GLU    24  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    23  HA    _  GLU    24  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    78  HN    _  GLU    79  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    78  HN    _  VAL    78  HB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    25  HN    _  GLN    26  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    79  HN    _  LYS    80  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    40  HN    _  GLU    79  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    78  HA    _  GLU    79  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    71  HN    _  ALA    72  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    35  HN    _  THR    35  HB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    33  HA    _  THR    35  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  HB1   _  LEU    31  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  HN    _  ASN    28  HB2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  SER    55  QB    _  VAL    61  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  PHE    21  HB1   _  GLN    22  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  SER    55  QB    _  LYS    58  HN          6    0.34    1.26       0    0.      0.         0    0.      0.        10
_  ASN    57  HA    _  GLU    59  HN          1    0.03    0.03       0    0.      0.         0    0.      0.        10
_  SER    55  QB    _  GLU    60  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    65  HN    _  ILE    65  QG2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    43  HN    _  SER    74  HB2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    43  HN    _  SER    74  HB1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  HN    _  LYS    46  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  HN    _  ASP    20  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    18  HN    _  ILE    19  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    66  HN    _  SER    67  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  HN    _  LYS    46  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    40  HE21  _  SER    74  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    40  HE21  _  ILE    77  QD1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    40  HE22  _  ILE    77  QD1         6    0.09    0.24       0    0.      0.         0    0.      0.        10
_  LYS    43  HN    _  SER    74  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    26  HA    _  GLN    26  HE22        0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    26  HA    _  GLN    26  HE21        2    0.01    0.01       0    0.      0.         0    0.      0.        10
_  PHE    54  QD    _  SER    62  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASP    20  HN    _  PHE    21  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    57  HA    _  ASN    57  HD22        0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    57  HA    _  ASN    57  HD21        0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    12  HA    _  THR    14  HN          7    0.30    1.37       0    0.      0.         0    0.      0.        10
_  ILE    65  HA    _  SER    67  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    68  HA    _  SER    69  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  HN    _  LEU    44  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  TYR    10  HA    _  ARG    11  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    35  HB    _  VAL    36  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  PHE    21  QD    _  LEU    44  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  PHE    21  QE    _  LEU    44  HN          1    0.33    0.33       0    0.      0.         0    0.      0.        10
_  ILE    50  HN    _  SER    67  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    49  HA    _  ILE    50  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    48  HN    _  SER    69  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    58  HN    _  GLU    59  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LEU     9  HN    _  SER    55  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    13  HN    _  THR    14  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  TYR    10  HA    _  SER    55  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  PHE    54  HB1   _  SER    55  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  PHE    54  HB2   _  SER    55  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  TYR    10  QB    _  SER    55  HN          8    0.27    1.39       0    0.      0.         0    0.      0.        10
_  LEU     9  HN    _  PHE    54  QD          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    26  HE22  _  ILE    77  QG2         8    0.67    3.32       0    0.      0.         5    0.67    2.73      10
_  ILE    50  HN    _  ILE    50  HG12        0    0.      0.         0    0.      0.         0    0.      0.        10
_  PHE    21  QD    _  GLN    22  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  PHE    21  HB2   _  GLN    22  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLY    34  HN    _  THR    35  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  PHE    21  HA    _  GLN    22  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    16  HA    _  THR    17  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    15  HN    _  ILE    15  HG11        0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    15  HN    _  ILE    15  HG12        0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    15  HN    _  ILE    15  QD1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  PRO    73  HA    _  SER    74  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    48  HN    _  GLU    49  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    49  HA    _  SER    67  HN          2    0.10    0.15       0    0.      0.         0    0.      0.        10
_  GLU    33  HN    _  GLY    34  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASP    30  HN    _  LEU    31  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASP    30  HN    _  ASP    30  HB2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  SER    62  HN    _  ARG    63  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    79  HN    _  GLU    79  QB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    15  HA    _  GLU    16  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    71  HN    _  ALA    72  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    17  HN    _  LYS    46  HN         10    0.71    6.43       0    0.      0.        10    0.71    6.43      10
_  THR    17  HN    _  THR    17  HB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LEU    44  HN    _  GLY    45  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  PHE    54  HB2   _  SER    62  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LEU     8  HN    _  LEU     9  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASP    20  HB2   _  PHE    21  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    14  HN    _  THR    14  HB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    49  HN    _  ILE    50  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    48  HN    _  VAL    48  HB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LEU    31  HN    _  THR    82  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LEU    31  HN    _  GLY    81  HN          2    0.10    0.16       0    0.      0.         0    0.      0.        10
_  ARG    63  HN    _  GLU    64  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    12  HN    _  GLU    13  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ARG    11  HN    _  GLU    12  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    22  HN    _  SER    74  HN          5    0.47    0.95       0    0.      0.         1    0.47    0.47      10
_  GLU    33  HA    _  GLY    81  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  HB2   _  GLY    81  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    60  HN    _  VAL    61  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    80  HN    _  GLY    81  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LEU    44  HG    _  GLY    45  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  TYR    10  HN    _  PHE    54  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ALA    32  HN    _  ALA    32  QB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    57  HB2   _  ASN    57  HD21        0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    57  HB1   _  ASN    57  HD22        0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    15  HA    _  ILE    15  HG11        0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    15  HA    _  ILE    15  HG12        0    0.      0.         0    0.      0.         0    0.      0.        10
_  SER    55  HA    _  GLU    59  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  TYR    10  QB    _  PHE    54  HA          8    0.24    1.46       0    0.      0.         0    0.      0.        10
_  SER    55  HA    _  GLU    60  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    60  HA    _  SER    62  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    56  HN    _  GLU    60  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ALA    32  QB    _  THR    35  HG1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ALA    32  HA    _  GLU    33  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ALA    32  HA    _  THR    82  HN          6    0.22    0.43       0    0.      0.         0    0.      0.        10
_  GLU    33  HA    _  THR    82  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ALA    32  QB    _  GLU    33  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ALA    32  QB    _  THR    35  HN          1    0.01    0.01       0    0.      0.         0    0.      0.        10
_  LEU    31  HN    _  LEU    31  HB2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  LEU    31  HN    _  LEU    31  HB1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  LEU    31  HB2   _  ALA    32  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LEU    31  HB1   _  ALA    32  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LEU     8  QB    _  LEU     9  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LEU     8  HN    _  LEU     8  QB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  HA    _  ASP    20  HB1         1    0.66    0.66       0    0.      0.         1    0.66    0.66      10
_  ILE    19  HA    _  ASP    20  HB2         9    0.69    6.15       0    0.      0.         9    0.69    6.15      10
_  ASP    20  HB1   _  PHE    21  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASP    20  HN    _  ASP    20  HB1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASP    20  HN    _  ASP    20  HB2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    25  HN    _  ILE    25  HB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    24  HA    _  ILE    25  HB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    83  QG    _  LYS    84  HN          1    0.01    0.01       0    0.      0.         0    0.      0.        10
_  THR    14  QG2   _  ILE    15  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ALA    72  HN    _  ALA    72  QB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ALA    72  QB    _  PRO    73  HD2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  HN    _  ILE    19  QG2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  QG2   _  ASP    20  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ALA    72  QB    _  PRO    73  HD1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  HA    _  ILE    19  QG2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  QG2   _  PRO    73  HD1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  QG2   _  PRO    73  HD2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  QG2   _  ALA    72  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ALA    72  HA    _  PRO    73  HD2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLY    45  HA2   _  THR    71  QG2         1    0.19    0.19       0    0.      0.         0    0.      0.        10
_  ILE    19  HB    _  GLY    45  HA2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  TYR    10  QD    _  ARG    52  HD1         4    0.26    0.40       0    0.      0.         0    0.      0.        10
_  TYR    10  QD    _  ARG    52  HD2         2    0.24    0.43       0    0.      0.         0    0.      0.        10
_  ALA    72  HN    _  PRO    73  HD1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ALA    72  HA    _  PRO    73  HD1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  HA    _  PRO    29  HD1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    27  HA    _  ASN    28  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  HA    _  ASP    30  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  HA    _  LEU    31  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  HA    _  PRO    29  HD2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  HN    _  PRO    29  HD1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  PRO    29  HD1   _  ASP    30  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  PRO     6  HD2   _  GLU     7  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    26  HE22  _  ILE    77  QD1        10    1.51   11.05       0    0.      0.         9    1.51   11.01      10
_  LYS    84  HN    _  LYS    84  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    83  HN    _  LYS    84  HA          2    0.49    0.55       0    0.      0.         1    0.49    0.49      10
_  GLN    26  HN    _  GLU    79  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    79  HA    _  LYS    80  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    38  HA    _  GLU    79  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    38  HA    _  LYS    39  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    38  HN    _  VAL    38  HB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    38  HA    _  VAL    38  QG1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    38  HA    _  VAL    38  QG2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    36  HA    _  ARG    37  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  HB1   _  ASP    30  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  HN    _  ASN    28  HB1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  HB2   _  ASP    30  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  HB2   _  LEU    31  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  SER    55  QB    _  GLU    59  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  SER    55  QB    _  GLU    60  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  PHE    54  HA    _  SER    55  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  PHE    54  HA    _  PHE    54  QE          0    0.      0.         0    0.      0.         0    0.      0.        10
_  PHE    54  HA    _  PHE    54  QD          0    0.      0.         0    0.      0.         0    0.      0.        10
_  TYR    10  HA    _  PHE    54  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  TYR    10  HA    _  TYR    10  QD          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ARG    63  HA    _  GLU    64  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  SER    62  HA    _  ARG    63  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASP    20  HA    _  PHE    21  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  HA    _  ASP    20  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  HA    _  PHE    21  HN         10    0.41    3.35       0    0.      0.         1    0.41    0.41      10
_  ILE    19  HA    _  ASP    20  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    59  HN    _  GLU    59  HG2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  PRO     6  HD1   _  GLU     7  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    57  HB2   _  LYS    58  HA          1    0.02    0.02       0    0.      0.         0    0.      0.        10
_  ILE    65  HN    _  ILE    65  HB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    70  HA    _  THR    70  QG2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    64  HA    _  ILE    65  HB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    65  HN    _  ILE    65  HG11        0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    65  HN    _  ILE    65  HG12        0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    65  HN    _  ILE    65  QD1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS     5  HN    _  PRO     6  HD1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS     5  HN    _  PRO     6  HD2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    26  HE21  _  ILE    77  QD1         9    0.99    5.80       0    0.      0.         7    0.99    5.38      10
_  ILE    77  HA    _  ILE    77  QD1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    77  QD1   _  VAL    78  HN         10    0.38    2.37       0    0.      0.         0    0.      0.        10
_  GLU    59  HN    _  GLU    59  HG1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  SER    74  HN    _  SER    74  HB1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    40  HE21  _  SER    74  HB2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    40  HE21  _  SER    74  HB1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    40  HE22  _  SER    74  HB1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    40  HE22  _  SER    74  HB2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    17  HN    _  LYS    46  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    71  HN    _  THR    71  HB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    46  HN    _  THR    71  HB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ALA    32  QB    _  THR    35  HB          1    0.18    0.18       0    0.      0.         0    0.      0.        10
_  ASN    57  HB1   _  LYS    58  HA         10    1.59   12.03       0    0.      0.        10    1.59   12.03      10
_  SER    67  HN    _  SER    67  HB1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  SER    67  HN    _  SER    67  HB2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    66  HN    _  SER    67  HB1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    66  HN    _  SER    67  HB2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    50  HG11  _  SER    67  HB1         9    1.01    5.84       0    0.      0.         6    1.01    4.86      10
_  ILE    50  HG12  _  SER    67  HB1         4    0.19    0.45       0    0.      0.         0    0.      0.        10
_  ILE    50  HB    _  SER    67  HB1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    50  HB    _  SER    67  HB2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    26  HG1   _  GLN    26  HE22        0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    26  HG2   _  GLN    26  HE22        0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    26  HG1   _  GLN    26  HE21        0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    26  HG2   _  GLN    26  HE21        0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    26  HN    _  GLN    26  HG1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    26  HN    _  GLN    26  HG2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    25  HN    _  GLN    26  HG2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    25  HN    _  GLN    26  HG1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    26  HA    _  GLN    26  HG1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    26  HA    _  GLN    26  HG2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    12  HA    _  ARG    52  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    12  HA    _  GLU    13  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    12  HA    _  GLU    12  HG2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    12  HA    _  GLU    12  HG1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    53  HN    _  ILE    53  QD1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  PHE    21  HB1   _  LEU    44  QD2        10    1.76    4.58       0    0.      0.         3    1.76    2.65      10
_  LEU    44  HA    _  LEU    44  QD2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  PHE    21  HB2   _  LEU    44  QD1         9    1.94   14.29       0    0.      0.         9    1.94   14.29      10
_  LEU    44  HA    _  LEU    44  QD1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    40  HE22  _  SER    74  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    36  HA    _  VAL    36  QQG         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  HG12  _  LYS    46  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    15  HN    _  ILE    15  HB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    35  HA    _  VAL    36  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    26  HE21  _  ILE    77  QG2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    25  HA    _  ILE    25  QD1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    25  HA    _  ILE    25  QG2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    50  HG12  _  SER    67  HB2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    50  HG11  _  SER    67  HB2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    50  HN    _  ILE    50  HG11        0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    50  HG11  _  VAL    51  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    50  HG12  _  VAL    51  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    49  HA    _  SER    69  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    68  HA    _  SER    69  QB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    23  HA    _  GLU    23  HG1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    23  HA    _  GLU    23  HG2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ARG    63  HA    _  ARG    63  HD1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ARG    63  HA    _  ARG    63  HD2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    71  HA    _  THR    71  QG2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    71  HN    _  THR    71  QG2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    46  HB1   _  LYS    47  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    46  HB2   _  LYS    47  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    46  HA    _  LYS    46  HD2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    16  HA    _  THR    17  HB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    46  HA    _  LYS    46  HD1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    46  HN    _  LYS    46  HG1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    46  HN    _  LYS    46  HG2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    46  HG1   _  THR    71  HB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    46  HG2   _  THR    71  HB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    53  HA    _  ILE    53  QD1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    77  HA    _  ILE    77  QG2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASP    30  HN    _  ASP    30  HB1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  HD22  _  ASP    30  HB1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  HD22  _  ASP    30  HB2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASP    30  HB1   _  LEU    31  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASP    30  HB2   _  LEU    31  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  HD21  _  ASP    30  HB1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  HD21  _  ASP    30  HB2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  HB    _  GLY    45  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  PHE    54  HB1   _  SER    62  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  PHE    54  QD    _  SER    62  HB2         6    0.32    0.89       0    0.      0.         0    0.      0.        10
_  PHE    54  QD    _  SER    62  HB1         9    0.75    5.08       0    0.      0.         8    0.75    4.81      10
_  LYS    83  HN    _  LYS    83  HB1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    83  HN    _  LYS    83  HB2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    14  HB    _  ILE    15  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    35  HN    _  THR    35  QG2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ARG    11  HN    _  GLU    12  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  PHE    21  HB1   _  LEU    44  QD1        10    3.32   28.03       0    0.      0.        10    3.32   28.03      10
_  LEU    31  HN    _  ALA    32  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ALA    32  HA    _  THR    35  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    66  HB    _  SER    67  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    23  HN    _  GLU    23  HG1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    23  HN    _  GLU    23  HG2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    23  HG2   _  GLU    24  HN          1    0.08    0.08       0    0.      0.         0    0.      0.        10
_  GLU    23  HG1   _  GLU    24  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    35  HB    _  THR    82  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LEU    31  HN    _  THR    35  HB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLY    34  HN    _  THR    35  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  PRO     6  HA    _  GLU     7  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    48  HA    _  GLU    49  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  TYR    10  HN    _  ARG    11  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASP    30  HN    _  LEU    31  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    24  HA    _  ILE    25  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN     4  HB2   _  LYS     5  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN     4  HB1   _  LYS     5  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    56  HN    _  ASN    57  HB2         5    0.60    2.55       0    0.      0.         5    0.60    2.55      10
_  VAL    56  HN    _  ASN    57  HB1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    27  HN    _  GLU    27  QG          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    27  QG    _  ASN    28  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    27  QG    _  THR    82  QG2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    60  HG1   _  SER    62  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    60  HG2   _  SER    62  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ARG    52  HN    _  ARG    52  HG2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ARG    52  HN    _  ARG    52  HG1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  TYR    10  HA    _  ARG    52  HG2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  TYR    10  HA    _  ARG    52  HG1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    25  HN    _  ILE    25  HG11        0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    25  HN    _  ILE    25  HG12        0    0.      0.         0    0.      0.         0    0.      0.        10
_  PHE    21  HB2   _  LEU    44  QD2         1    0.17    0.17       0    0.      0.         0    0.      0.        10
_  ILE    19  HN    _  ILE    19  HG12        0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  HN    _  ILE    19  HG11        0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  HG11  _  ASP    20  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  HG12  _  ASP    20  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  HG11  _  LYS    46  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LEU    31  HB2   _  GLY    81  HA2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  LEU    31  HB1   _  GLY    81  HA2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  TYR    10  QE    _  PHE    54  HN         10    1.85   14.03       0    0.      0.         9    1.85   13.67      10
_  TYR    10  HN    _  TYR    10  QE          0    0.      0.         0    0.      0.         0    0.      0.        10
_  TYR    10  QE    _  PHE    54  HZ         10    0.45    2.32       0    0.      0.         1    0.45    0.45      10
_  TYR    10  HA    _  TYR    10  QE          0    0.      0.         0    0.      0.         0    0.      0.        10
_  TYR    10  HN    _  TYR    10  QD          0    0.      0.         0    0.      0.         0    0.      0.        10
_  TYR    10  QD    _  PHE    54  HN          9    0.95    6.85       0    0.      0.         9    0.95    6.85      10
_  PHE    21  QD    _  GLY    45  HN          6    0.37    0.75       0    0.      0.         0    0.      0.        10
_  PHE    21  QD    _  LEU    44  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  PHE    54  HN    _  PHE    54  QD          0    0.      0.         0    0.      0.         0    0.      0.        10
_  PHE    54  QE    _  SER    55  HN          1    0.03    0.03       0    0.      0.         0    0.      0.        10
_  LEU     9  HA    _  PHE    54  QD         10    1.42   12.03       0    0.      0.        10    1.42   12.03      10
_  TYR    10  QD    _  PHE    54  HZ         10    1.27   10.00       0    0.      0.        10    1.27   10.00      10
_  LYS     5  HN    _  PRO     6  QD          0    0.      0.         0    0.      0.         0    0.      0.        10
_  PRO     6  QD    _  GLU     7  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  TYR    10  QD    _  ARG    52  QD          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    15  HN    _  ILE    15  QG1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    15  HA    _  ILE    15  QG1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  HN    _  LEU    44  QQD         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  HA    _  ASP    20  QB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  HB    _  GLY    45  QA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  QG2   _  PRO    73  QD          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    19  QG1   _  ASP    20  HN          6    0.29    1.55       0    0.      0.         0    0.      0.        10
_  ILE    19  QG1   _  LYS    46  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASP    20  HA    _  LEU    44  QQD         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASP    20  QB    _  LEU    44  QQD         9    0.49    2.91       0    0.      0.         1    0.49    0.49      10
_  PHE    21  HN    _  LEU    44  QQD         0    0.      0.         0    0.      0.         0    0.      0.        10
_  PHE    21  QB    _  GLN    22  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  PHE    21  QB    _  LEU    44  QQD        10    1.15    8.36       0    0.      0.         9    1.15    8.07      10
_  PHE    21  QB    _  SER    74  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    22  HN    _  GLN    22  QB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    22  QB    _  GLU    23  HA          1    0.48    0.48       0    0.      0.         1    0.48    0.48      10
_  GLU    24  QB    _  ILE    25  HA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    25  HN    _  GLN    26  QG          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    26  HN    _  GLN    26  QG          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    26  HA    _  GLN    26  QG          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    26  HA    _  GLN    26  QE2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    26  QB    _  GLN    26  QE2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    26  QG    _  GLN    26  QE2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    26  QG    _  GLU    27  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  HN    _  ASN    28  QB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  HN    _  PRO    29  QD          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  HA    _  ASN    28  QD2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  HA    _  PRO    29  QG          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  QB    _  GLY    81  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  QB    _  GLY    81  QA          1    0.04    0.04       0    0.      0.         0    0.      0.        10
_  ASN    28  QD2   _  ASP    30  QB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    28  QD2   _  LEU    31  QQD         0    0.      0.         0    0.      0.         0    0.      0.        10
_  PRO    29  QB    _  ASP    30  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  PRO    29  QB    _  GLY    81  QA         10    1.78   14.33       0    0.      0.        10    1.78   14.33      10
_  PRO    29  QD    _  ASP    30  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  PRO    29  QD    _  ASP    30  QB          3    0.08    0.12       0    0.      0.         0    0.      0.        10
_  LEU    31  HN    _  LEU    31  QB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LEU    31  HN    _  GLY    81  QA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LEU    31  QB    _  ALA    32  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LEU    31  QB    _  GLY    81  QA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LEU    31  QQD   _  ALA    32  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ALA    32  HA    _  GLY    81  QA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    33  HA    _  GLY    81  QA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    33  QB    _  GLY    34  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    33  QG    _  GLY    34  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    33  QG    _  GLY    34  QA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    35  HN    _  GLY    81  QA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    35  HB    _  GLY    81  QA          0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    38  QQG   _  GLN    40  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    39  HN    _  LYS    39  QB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    40  HA    _  GLN    40  QE2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    40  QE2   _  SER    74  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    40  QE2   _  SER    74  QB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLN    40  QE2   _  ILE    77  QG1         4    0.06    0.10       0    0.      0.         0    0.      0.        10
_  LEU    44  HN    _  LEU    44  QQD         0    0.      0.         0    0.      0.         0    0.      0.        10
_  LEU    44  HA    _  LEU    44  QQD         0    0.      0.         0    0.      0.         0    0.      0.        10
_  LEU    44  QB    _  GLY    45  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LEU    44  QQD   _  GLY    45  HN          1    0.12    0.12       0    0.      0.         0    0.      0.        10
_  GLY    45  QA    _  THR    71  QG2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    46  HA    _  LYS    46  QD          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    46  QB    _  LYS    46  QE          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    46  QB    _  LYS    47  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    50  HN    _  ILE    50  QG1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    50  HA    _  ILE    50  QG1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    50  QG1   _  VAL    51  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    50  QG1   _  SER    67  QB          7    0.70    3.04       0    0.      0.         4    0.70    2.60      10
_  ARG    52  HN    _  ARG    52  QB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ARG    52  QD    _  VAL    66  QQG         7    0.28    1.49       0    0.      0.         0    0.      0.        10
_  SER    55  HA    _  GLU    60  QG          0    0.      0.         0    0.      0.         0    0.      0.        10
_  SER    55  HA    _  VAL    61  QQG         0    0.      0.         0    0.      0.         0    0.      0.        10
_  SER    55  QB    _  GLU    60  QG          4    0.26    0.53       0    0.      0.         0    0.      0.        10
_  ASN    57  QB    _  ASN    57  QD2         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    57  QB    _  LYS    58  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ASN    57  QB    _  LYS    58  HA          5    0.15    0.54       0    0.      0.         0    0.      0.        10
_  GLU    59  HN    _  GLU    59  QG          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    60  HN    _  GLU    60  QG          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    60  QG    _  VAL    61  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    60  QG    _  SER    62  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    61  HN    _  VAL    61  QQG         0    0.      0.         0    0.      0.         0    0.      0.        10
_  VAL    61  QQG   _  SER    62  HN          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ARG    63  QB    _  ARG    63  QD          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    65  HA    _  ILE    65  QG1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ALA    72  HN    _  PRO    73  QD          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ALA    72  HA    _  PRO    73  QD          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ALA    72  QB    _  PRO    73  QD          0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    77  HN    _  ILE    77  QG1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    77  QG2   _  ILE    77  QG1         0    0.      0.         0    0.      0.         0    0.      0.        10
_  GLU    79  HA    _  LYS    80  QB          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    80  HA    _  LYS    80  QG          0    0.      0.         0    0.      0.         0    0.      0.        10
_  LYS    80  HA    _  GLY    81  QA          0    0.      0.         0    0.      0.         0    0.      0.        10
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_per_RESIDUE_for_ALL_STRUCTURES
$ TABLE #RECORDS 84 #ITEMS 13
Chn Resnm Res  NumUPPv MaxUPPv TotUPPv NumLOWv MaxLOWv TotLOWv NumBIGv MaxBIGv TotBIGv  NRestr
_  GLY     1         0    0.      0.         0    0.      0.         0    0.      0.         0
_  SER     2         0    0.      0.         0    0.      0.         0    0.      0.         0
_  HIS     3         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ASN     4         0    0.      0.         0    0.      0.         0    0.      0.        20
_  LYS     5         0    0.      0.         0    0.      0.         0    0.      0.        50
_  PRO     6         0    0.      0.         0    0.      0.         0    0.      0.        70
_  GLU     7         0    0.      0.         0    0.      0.         0    0.      0.        40
_  LEU     8         0    0.      0.         0    0.      0.         0    0.      0.        30
_  LEU     9        10    1.42   12.03       0    0.      0.        10    1.42   12.03      80
_  TYR    10        79    1.85   50.12       0    0.      0.        39    1.85   43.68     260
_  ARG    11         3    0.08    0.19       0    0.      0.         0    0.      0.        60
_  GLU    12         7    0.30    1.37       0    0.      0.         0    0.      0.        80
_  GLU    13         0    0.      0.         0    0.      0.         0    0.      0.        30
_  THR    14         7    0.30    1.37       0    0.      0.         0    0.      0.        60
_  ILE    15         0    0.      0.         0    0.      0.         0    0.      0.       140
_  GLU    16         0    0.      0.         0    0.      0.         0    0.      0.        40
_  THR    17        10    0.71    6.43       0    0.      0.        10    0.71    6.43      60
_  LYS    18         0    0.      0.         0    0.      0.         0    0.      0.        20
_  ILE    19        26    0.69   11.72       0    0.      0.        11    0.69    7.23     310
_  ASP    20        25    0.69   11.28       0    0.      0.        11    0.69    7.30     180
_  PHE    21        57    3.32   59.86       0    0.      0.        32    3.32   53.46     210
_  GLN    22         6    0.48    1.43       0    0.      0.         2    0.48    0.95      80
_  GLU    23         2    0.48    0.56       0    0.      0.         1    0.48    0.48      90
_  GLU    24         1    0.08    0.08       0    0.      0.         0    0.      0.        80
_  ILE    25         0    0.      0.         0    0.      0.         0    0.      0.       120
_  GLN    26        29    1.51   20.18       0    0.      0.        21    1.51   19.12     260
_  GLU    27         0    0.      0.         0    0.      0.         0    0.      0.        60
_  ASN    28         5    0.21    0.54       0    0.      0.         0    0.      0.       290
_  PRO    29        13    1.78   14.45       0    0.      0.        10    1.78   14.33     100
_  ASP    30         3    0.08    0.12       0    0.      0.         0    0.      0.       180
_  LEU    31         2    0.10    0.16       0    0.      0.         0    0.      0.       230
_  ALA    32         8    0.22    0.63       0    0.      0.         0    0.      0.       150
_  GLU    33         0    0.      0.         0    0.      0.         0    0.      0.       120
_  GLY    34         0    0.      0.         0    0.      0.         0    0.      0.        70
_  THR    35         2    0.18    0.19       0    0.      0.         0    0.      0.       170
_  VAL    36         0    0.      0.         0    0.      0.         0    0.      0.        40
_  ARG    37         0    0.      0.         0    0.      0.         0    0.      0.        20
_  VAL    38         0    0.      0.         0    0.      0.         0    0.      0.        70
_  LYS    39         0    0.      0.         0    0.      0.         0    0.      0.        40
_  GLN    40        10    0.09    0.34       0    0.      0.         0    0.      0.       160
_  GLU    41         0    0.      0.         0    0.      0.         0    0.      0.         0
_  GLY    42         0    0.      0.         0    0.      0.         0    0.      0.         0
_  LYS    43         0    0.      0.         0    0.      0.         0    0.      0.        30
_  LEU    44        51    3.32   58.80       0    0.      0.        32    3.32   53.53     210
_  GLY    45         8    0.37    1.06       0    0.      0.         0    0.      0.       120
_  LYS    46        10    0.71    6.43       0    0.      0.        10    0.71    6.43     220
_  LYS    47         0    0.      0.         0    0.      0.         0    0.      0.        30
_  VAL    48         0    0.      0.         0    0.      0.         0    0.      0.        40
_  GLU    49         2    0.10    0.15       0    0.      0.         0    0.      0.        70
_  ILE    50        20    1.01    9.33       0    0.      0.        10    1.01    7.46     170
_  VAL    51         0    0.      0.         0    0.      0.         0    0.      0.        30
_  ARG    52        13    0.28    2.31       0    0.      0.         0    0.      0.       100
_  ILE    53         0    0.      0.         0    0.      0.         0    0.      0.        20
_  PHE    54        83    1.85   65.40       0    0.      0.        57    1.85   60.52     220
_  SER    55        30    0.34    3.93       0    0.      0.         0    0.      0.       230
_  VAL    56         5    0.60    2.55       0    0.      0.         5    0.60    2.55      60
_  ASN    57        22    1.59   15.17       0    0.      0.        15    1.59   14.58     170
_  LYS    58        22    1.59   13.86       0    0.      0.        10    1.59   12.03      90
_  GLU    59         1    0.03    0.03       0    0.      0.         0    0.      0.        90
_  GLU    60         4    0.26    0.53       0    0.      0.         0    0.      0.       140
_  VAL    61         0    0.      0.         0    0.      0.         0    0.      0.        90
_  SER    62        15    0.75    5.97       0    0.      0.         8    0.75    4.81     140
_  ARG    63         0    0.      0.         0    0.      0.         0    0.      0.        70
_  GLU    64         0    0.      0.         0    0.      0.         0    0.      0.        30
_  ILE    65         0    0.      0.         0    0.      0.         0    0.      0.        80
_  VAL    66         7    0.28    1.49       0    0.      0.         0    0.      0.        50
_  SER    67        22    1.01    9.48       0    0.      0.        10    1.01    7.46     160
_  THR    68         0    0.      0.         0    0.      0.         0    0.      0.        20
_  SER    69         0    0.      0.         0    0.      0.         0    0.      0.        40
_  THR    70         0    0.      0.         0    0.      0.         0    0.      0.        10
_  THR    71         1    0.19    0.19       0    0.      0.         0    0.      0.       130
_  ALA    72         9    0.04    0.24       0    0.      0.         0    0.      0.       140
_  PRO    73         9    0.04    0.24       0    0.      0.         0    0.      0.       130
_  SER    74         5    0.47    0.95       0    0.      0.         1    0.47    0.47     160
_  PRO    75         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ARG    76         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ILE    77        47    1.51   22.88       0    0.      0.        21    1.51   19.12     120
_  VAL    78        10    0.38    2.37       0    0.      0.         0    0.      0.        60
_  GLU    79         0    0.      0.         0    0.      0.         0    0.      0.       120
_  LYS    80         0    0.      0.         0    0.      0.         0    0.      0.        70
_  GLY    81        17    1.78   15.03       0    0.      0.        10    1.78   14.33     210
_  THR    82         6    0.22    0.43       0    0.      0.         0    0.      0.        70
_  LYS    83         3    0.49    0.55       0    0.      0.         1    0.49    0.49      60
_  LYS    84         3    0.49    0.55       0    0.      0.         1    0.49    0.49      40
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_per_RESIDUE_for_STRUCTURE_Str_01
$ TABLE #RECORDS 84 #ITEMS 13
Chn Resnm Res  NumUPPv MaxUPPv TotUPPv NumLOWv MaxLOWv TotLOWv NumBIGv MaxBIGv TotBIGv  NRestr
_  GLY     1         0    0.      0.         0    0.      0.         0    0.      0.         0
_  SER     2         0    0.      0.         0    0.      0.         0    0.      0.         0
_  HIS     3         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ASN     4         0    0.      0.         0    0.      0.         0    0.      0.         2
_  LYS     5         0    0.      0.         0    0.      0.         0    0.      0.         5
_  PRO     6         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLU     7         0    0.      0.         0    0.      0.         0    0.      0.         4
_  LEU     8         0    0.      0.         0    0.      0.         0    0.      0.         3
_  LEU     9         1    1.15    1.15       0    0.      0.         1    1.15    1.15       8
_  TYR    10         8    1.68    5.40       0    0.      0.         4    1.68    4.74      26
_  ARG    11         0    0.      0.         0    0.      0.         0    0.      0.         6
_  GLU    12         1    0.20    0.20       0    0.      0.         0    0.      0.         8
_  GLU    13         0    0.      0.         0    0.      0.         0    0.      0.         3
_  THR    14         1    0.20    0.20       0    0.      0.         0    0.      0.         6
_  ILE    15         0    0.      0.         0    0.      0.         0    0.      0.        14
_  GLU    16         0    0.      0.         0    0.      0.         0    0.      0.         4
_  THR    17         1    0.60    0.60       0    0.      0.         1    0.60    0.60       6
_  LYS    18         0    0.      0.         0    0.      0.         0    0.      0.         2
_  ILE    19         3    0.68    1.28       0    0.      0.         1    0.68    0.68      31
_  ASP    20         3    0.68    1.42       0    0.      0.         2    0.68    1.17      18
_  PHE    21         6    3.18    6.78       0    0.      0.         4    3.18    6.39      21
_  GLN    22         1    0.08    0.08       0    0.      0.         0    0.      0.         8
_  GLU    23         0    0.      0.         0    0.      0.         0    0.      0.         9
_  GLU    24         0    0.      0.         0    0.      0.         0    0.      0.         8
_  ILE    25         0    0.      0.         0    0.      0.         0    0.      0.        12
_  GLN    26         3    1.03    1.66       0    0.      0.         2    1.03    1.47      26
_  GLU    27         0    0.      0.         0    0.      0.         0    0.      0.         6
_  ASN    28         0    0.      0.         0    0.      0.         0    0.      0.        29
_  PRO    29         1    1.19    1.19       0    0.      0.         1    1.19    1.19      10
_  ASP    30         0    0.      0.         0    0.      0.         0    0.      0.        18
_  LEU    31         0    0.      0.         0    0.      0.         0    0.      0.        23
_  ALA    32         1    0.06    0.06       0    0.      0.         0    0.      0.        15
_  GLU    33         0    0.      0.         0    0.      0.         0    0.      0.        12
_  GLY    34         0    0.      0.         0    0.      0.         0    0.      0.         7
_  THR    35         0    0.      0.         0    0.      0.         0    0.      0.        17
_  VAL    36         0    0.      0.         0    0.      0.         0    0.      0.         4
_  ARG    37         0    0.      0.         0    0.      0.         0    0.      0.         2
_  VAL    38         0    0.      0.         0    0.      0.         0    0.      0.         7
_  LYS    39         0    0.      0.         0    0.      0.         0    0.      0.         4
_  GLN    40         2    0.04    0.05       0    0.      0.         0    0.      0.        16
_  GLU    41         0    0.      0.         0    0.      0.         0    0.      0.         0
_  GLY    42         0    0.      0.         0    0.      0.         0    0.      0.         0
_  LYS    43         0    0.      0.         0    0.      0.         0    0.      0.         3
_  LEU    44         5    3.18    6.88       0    0.      0.         5    3.18    6.88      21
_  GLY    45         2    0.19    0.22       0    0.      0.         0    0.      0.        12
_  LYS    46         1    0.60    0.60       0    0.      0.         1    0.60    0.60      22
_  LYS    47         0    0.      0.         0    0.      0.         0    0.      0.         3
_  VAL    48         0    0.      0.         0    0.      0.         0    0.      0.         4
_  GLU    49         0    0.      0.         0    0.      0.         0    0.      0.         7
_  ILE    50         3    0.96    1.69       0    0.      0.         2    0.96    1.59      17
_  VAL    51         0    0.      0.         0    0.      0.         0    0.      0.         3
_  ARG    52         1    0.19    0.19       0    0.      0.         0    0.      0.        10
_  ILE    53         0    0.      0.         0    0.      0.         0    0.      0.         2
_  PHE    54         8    1.68    6.79       0    0.      0.         6    1.68    6.41      22
_  SER    55         3    0.21    0.48       0    0.      0.         0    0.      0.        23
_  VAL    56         0    0.      0.         0    0.      0.         0    0.      0.         6
_  ASN    57         2    1.55    1.64       0    0.      0.         1    1.55    1.55      17
_  LYS    58         3    1.55    1.84       0    0.      0.         1    1.55    1.55       9
_  GLU    59         0    0.      0.         0    0.      0.         0    0.      0.         9
_  GLU    60         0    0.      0.         0    0.      0.         0    0.      0.        14
_  VAL    61         0    0.      0.         0    0.      0.         0    0.      0.         9
_  SER    62         1    0.52    0.52       0    0.      0.         1    0.52    0.52      14
_  ARG    63         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLU    64         0    0.      0.         0    0.      0.         0    0.      0.         3
_  ILE    65         0    0.      0.         0    0.      0.         0    0.      0.         8
_  VAL    66         1    0.19    0.19       0    0.      0.         0    0.      0.         5
_  SER    67         3    0.96    1.69       0    0.      0.         2    0.96    1.59      16
_  THR    68         0    0.      0.         0    0.      0.         0    0.      0.         2
_  SER    69         0    0.      0.         0    0.      0.         0    0.      0.         4
_  THR    70         0    0.      0.         0    0.      0.         0    0.      0.         1
_  THR    71         1    0.19    0.19       0    0.      0.         0    0.      0.        13
_  ALA    72         1    0.04    0.04       0    0.      0.         0    0.      0.        14
_  PRO    73         1    0.04    0.04       0    0.      0.         0    0.      0.        13
_  SER    74         1    0.08    0.08       0    0.      0.         0    0.      0.        16
_  PRO    75         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ARG    76         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ILE    77         6    1.03    1.91       0    0.      0.         2    1.03    1.47      12
_  VAL    78         1    0.21    0.21       0    0.      0.         0    0.      0.         6
_  GLU    79         0    0.      0.         0    0.      0.         0    0.      0.        12
_  LYS    80         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLY    81         1    1.19    1.19       0    0.      0.         1    1.19    1.19      21
_  THR    82         1    0.06    0.06       0    0.      0.         0    0.      0.         7
_  LYS    83         0    0.      0.         0    0.      0.         0    0.      0.         6
_  LYS    84         0    0.      0.         0    0.      0.         0    0.      0.         4
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_per_RESIDUE_for_STRUCTURE_Str_02
$ TABLE #RECORDS 84 #ITEMS 13
Chn Resnm Res  NumUPPv MaxUPPv TotUPPv NumLOWv MaxLOWv TotLOWv NumBIGv MaxBIGv TotBIGv  NRestr
_  GLY     1         0    0.      0.         0    0.      0.         0    0.      0.         0
_  SER     2         0    0.      0.         0    0.      0.         0    0.      0.         0
_  HIS     3         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ASN     4         0    0.      0.         0    0.      0.         0    0.      0.         2
_  LYS     5         0    0.      0.         0    0.      0.         0    0.      0.         5
_  PRO     6         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLU     7         0    0.      0.         0    0.      0.         0    0.      0.         4
_  LEU     8         0    0.      0.         0    0.      0.         0    0.      0.         3
_  LEU     9         1    0.85    0.85       0    0.      0.         1    0.85    0.85       8
_  TYR    10         6    0.87    2.45       0    0.      0.         2    0.87    1.58      26
_  ARG    11         0    0.      0.         0    0.      0.         0    0.      0.         6
_  GLU    12         1    0.22    0.22       0    0.      0.         0    0.      0.         8
_  GLU    13         0    0.      0.         0    0.      0.         0    0.      0.         3
_  THR    14         1    0.22    0.22       0    0.      0.         0    0.      0.         6
_  ILE    15         0    0.      0.         0    0.      0.         0    0.      0.        14
_  GLU    16         0    0.      0.         0    0.      0.         0    0.      0.         4
_  THR    17         1    0.64    0.64       0    0.      0.         1    0.64    0.64       6
_  LYS    18         0    0.      0.         0    0.      0.         0    0.      0.         2
_  ILE    19         2    0.68    1.00       0    0.      0.         1    0.68    0.68      31
_  ASP    20         2    0.68    0.97       0    0.      0.         1    0.68    0.68      18
_  PHE    21         5    3.02    6.04       0    0.      0.         3    3.02    5.43      21
_  GLN    22         0    0.      0.         0    0.      0.         0    0.      0.         8
_  GLU    23         0    0.      0.         0    0.      0.         0    0.      0.         9
_  GLU    24         0    0.      0.         0    0.      0.         0    0.      0.         8
_  ILE    25         0    0.      0.         0    0.      0.         0    0.      0.        12
_  GLN    26         3    1.42    2.81       0    0.      0.         3    1.42    2.81      26
_  GLU    27         0    0.      0.         0    0.      0.         0    0.      0.         6
_  ASN    28         0    0.      0.         0    0.      0.         0    0.      0.        29
_  PRO    29         1    1.44    1.44       0    0.      0.         1    1.44    1.44      10
_  ASP    30         0    0.      0.         0    0.      0.         0    0.      0.        18
_  LEU    31         0    0.      0.         0    0.      0.         0    0.      0.        23
_  ALA    32         1    0.01    0.01       0    0.      0.         0    0.      0.        15
_  GLU    33         0    0.      0.         0    0.      0.         0    0.      0.        12
_  GLY    34         0    0.      0.         0    0.      0.         0    0.      0.         7
_  THR    35         0    0.      0.         0    0.      0.         0    0.      0.        17
_  VAL    36         0    0.      0.         0    0.      0.         0    0.      0.         4
_  ARG    37         0    0.      0.         0    0.      0.         0    0.      0.         2
_  VAL    38         0    0.      0.         0    0.      0.         0    0.      0.         7
_  LYS    39         0    0.      0.         0    0.      0.         0    0.      0.         4
_  GLN    40         1    0.01    0.01       0    0.      0.         0    0.      0.        16
_  GLU    41         0    0.      0.         0    0.      0.         0    0.      0.         0
_  GLY    42         0    0.      0.         0    0.      0.         0    0.      0.         0
_  LYS    43         0    0.      0.         0    0.      0.         0    0.      0.         3
_  LEU    44         5    3.02    6.01       0    0.      0.         3    3.02    5.43      21
_  GLY    45         0    0.      0.         0    0.      0.         0    0.      0.        12
_  LYS    46         1    0.64    0.64       0    0.      0.         1    0.64    0.64      22
_  LYS    47         0    0.      0.         0    0.      0.         0    0.      0.         3
_  VAL    48         0    0.      0.         0    0.      0.         0    0.      0.         4
_  GLU    49         0    0.      0.         0    0.      0.         0    0.      0.         7
_  ILE    50         2    0.44    0.55       0    0.      0.         1    0.44    0.44      17
_  VAL    51         0    0.      0.         0    0.      0.         0    0.      0.         3
_  ARG    52         0    0.      0.         0    0.      0.         0    0.      0.        10
_  ILE    53         0    0.      0.         0    0.      0.         0    0.      0.         2
_  PHE    54         5    0.87    3.11       0    0.      0.         3    0.87    2.43      22
_  SER    55         4    0.26    0.58       0    0.      0.         0    0.      0.        23
_  VAL    56         0    0.      0.         0    0.      0.         0    0.      0.         6
_  ASN    57         2    1.57    1.68       0    0.      0.         1    1.57    1.57      17
_  LYS    58         3    1.57    1.81       0    0.      0.         1    1.57    1.57       9
_  GLU    59         0    0.      0.         0    0.      0.         0    0.      0.         9
_  GLU    60         1    0.26    0.26       0    0.      0.         0    0.      0.        14
_  VAL    61         0    0.      0.         0    0.      0.         0    0.      0.         9
_  SER    62         0    0.      0.         0    0.      0.         0    0.      0.        14
_  ARG    63         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLU    64         0    0.      0.         0    0.      0.         0    0.      0.         3
_  ILE    65         0    0.      0.         0    0.      0.         0    0.      0.         8
_  VAL    66         0    0.      0.         0    0.      0.         0    0.      0.         5
_  SER    67         2    0.44    0.55       0    0.      0.         1    0.44    0.44      16
_  THR    68         0    0.      0.         0    0.      0.         0    0.      0.         2
_  SER    69         0    0.      0.         0    0.      0.         0    0.      0.         4
_  THR    70         0    0.      0.         0    0.      0.         0    0.      0.         1
_  THR    71         0    0.      0.         0    0.      0.         0    0.      0.        13
_  ALA    72         1    0.02    0.02       0    0.      0.         0    0.      0.        14
_  PRO    73         1    0.02    0.02       0    0.      0.         0    0.      0.        13
_  SER    74         0    0.      0.         0    0.      0.         0    0.      0.        16
_  PRO    75         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ARG    76         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ILE    77         5    1.42    3.02       0    0.      0.         3    1.42    2.81      12
_  VAL    78         1    0.20    0.20       0    0.      0.         0    0.      0.         6
_  GLU    79         0    0.      0.         0    0.      0.         0    0.      0.        12
_  LYS    80         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLY    81         1    1.44    1.44       0    0.      0.         1    1.44    1.44      21
_  THR    82         1    0.01    0.01       0    0.      0.         0    0.      0.         7
_  LYS    83         1    0.06    0.06       0    0.      0.         0    0.      0.         6
_  LYS    84         1    0.06    0.06       0    0.      0.         0    0.      0.         4
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_per_RESIDUE_for_STRUCTURE_Str_03
$ TABLE #RECORDS 84 #ITEMS 13
Chn Resnm Res  NumUPPv MaxUPPv TotUPPv NumLOWv MaxLOWv TotLOWv NumBIGv MaxBIGv TotBIGv  NRestr
_  GLY     1         0    0.      0.         0    0.      0.         0    0.      0.         0
_  SER     2         0    0.      0.         0    0.      0.         0    0.      0.         0
_  HIS     3         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ASN     4         0    0.      0.         0    0.      0.         0    0.      0.         2
_  LYS     5         0    0.      0.         0    0.      0.         0    0.      0.         5
_  PRO     6         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLU     7         0    0.      0.         0    0.      0.         0    0.      0.         4
_  LEU     8         0    0.      0.         0    0.      0.         0    0.      0.         3
_  LEU     9         1    1.10    1.10       0    0.      0.         1    1.10    1.10       8
_  TYR    10         8    1.23    4.45       0    0.      0.         4    1.23    3.76      26
_  ARG    11         1    0.06    0.06       0    0.      0.         0    0.      0.         6
_  GLU    12         0    0.      0.         0    0.      0.         0    0.      0.         8
_  GLU    13         0    0.      0.         0    0.      0.         0    0.      0.         3
_  THR    14         0    0.      0.         0    0.      0.         0    0.      0.         6
_  ILE    15         0    0.      0.         0    0.      0.         0    0.      0.        14
_  GLU    16         0    0.      0.         0    0.      0.         0    0.      0.         4
_  THR    17         1    0.69    0.69       0    0.      0.         1    0.69    0.69       6
_  LYS    18         0    0.      0.         0    0.      0.         0    0.      0.         2
_  ILE    19         2    0.66    1.08       0    0.      0.         2    0.66    1.08      31
_  ASP    20         1    0.66    0.66       0    0.      0.         1    0.66    0.66      18
_  PHE    21         6    3.32    7.47       0    0.      0.         5    3.32    7.28      21
_  GLN    22         1    0.34    0.34       0    0.      0.         0    0.      0.         8
_  GLU    23         0    0.      0.         0    0.      0.         0    0.      0.         9
_  GLU    24         0    0.      0.         0    0.      0.         0    0.      0.         8
_  ILE    25         0    0.      0.         0    0.      0.         0    0.      0.        12
_  GLN    26         3    0.87    1.10       0    0.      0.         1    0.87    0.87      26
_  GLU    27         0    0.      0.         0    0.      0.         0    0.      0.         6
_  ASN    28         2    0.21    0.25       0    0.      0.         0    0.      0.        29
_  PRO    29         2    1.76    1.79       0    0.      0.         1    1.76    1.76      10
_  ASP    30         1    0.04    0.04       0    0.      0.         0    0.      0.        18
_  LEU    31         0    0.      0.         0    0.      0.         0    0.      0.        23
_  ALA    32         0    0.      0.         0    0.      0.         0    0.      0.        15
_  GLU    33         0    0.      0.         0    0.      0.         0    0.      0.        12
_  GLY    34         0    0.      0.         0    0.      0.         0    0.      0.         7
_  THR    35         0    0.      0.         0    0.      0.         0    0.      0.        17
_  VAL    36         0    0.      0.         0    0.      0.         0    0.      0.         4
_  ARG    37         0    0.      0.         0    0.      0.         0    0.      0.         2
_  VAL    38         0    0.      0.         0    0.      0.         0    0.      0.         7
_  LYS    39         0    0.      0.         0    0.      0.         0    0.      0.         4
_  GLN    40         0    0.      0.         0    0.      0.         0    0.      0.        16
_  GLU    41         0    0.      0.         0    0.      0.         0    0.      0.         0
_  GLY    42         0    0.      0.         0    0.      0.         0    0.      0.         0
_  LYS    43         0    0.      0.         0    0.      0.         0    0.      0.         3
_  LEU    44         4    3.32    6.86       0    0.      0.         4    3.32    6.86      21
_  GLY    45         1    0.19    0.19       0    0.      0.         0    0.      0.        12
_  LYS    46         1    0.69    0.69       0    0.      0.         1    0.69    0.69      22
_  LYS    47         0    0.      0.         0    0.      0.         0    0.      0.         3
_  VAL    48         0    0.      0.         0    0.      0.         0    0.      0.         4
_  GLU    49         0    0.      0.         0    0.      0.         0    0.      0.         7
_  ILE    50         0    0.      0.         0    0.      0.         0    0.      0.        17
_  VAL    51         0    0.      0.         0    0.      0.         0    0.      0.         3
_  ARG    52         2    0.26    0.51       0    0.      0.         0    0.      0.        10
_  ILE    53         0    0.      0.         0    0.      0.         0    0.      0.         2
_  PHE    54         7    1.23    5.44       0    0.      0.         5    1.23    4.86      22
_  SER    55         3    0.10    0.17       0    0.      0.         0    0.      0.        23
_  VAL    56         0    0.      0.         0    0.      0.         0    0.      0.         6
_  ASN    57         2    1.57    1.68       0    0.      0.         1    1.57    1.57      17
_  LYS    58         2    1.57    1.68       0    0.      0.         1    1.57    1.57       9
_  GLU    59         0    0.      0.         0    0.      0.         0    0.      0.         9
_  GLU    60         0    0.      0.         0    0.      0.         0    0.      0.        14
_  VAL    61         0    0.      0.         0    0.      0.         0    0.      0.         9
_  SER    62         1    0.27    0.27       0    0.      0.         0    0.      0.        14
_  ARG    63         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLU    64         0    0.      0.         0    0.      0.         0    0.      0.         3
_  ILE    65         0    0.      0.         0    0.      0.         0    0.      0.         8
_  VAL    66         1    0.26    0.26       0    0.      0.         0    0.      0.         5
_  SER    67         0    0.      0.         0    0.      0.         0    0.      0.        16
_  THR    68         0    0.      0.         0    0.      0.         0    0.      0.         2
_  SER    69         0    0.      0.         0    0.      0.         0    0.      0.         4
_  THR    70         0    0.      0.         0    0.      0.         0    0.      0.         1
_  THR    71         0    0.      0.         0    0.      0.         0    0.      0.        13
_  ALA    72         1    0.03    0.03       0    0.      0.         0    0.      0.        14
_  PRO    73         1    0.03    0.03       0    0.      0.         0    0.      0.        13
_  SER    74         1    0.34    0.34       0    0.      0.         0    0.      0.        16
_  PRO    75         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ARG    76         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ILE    77         4    0.87    1.31       0    0.      0.         1    0.87    0.87      12
_  VAL    78         1    0.21    0.21       0    0.      0.         0    0.      0.         6
_  GLU    79         0    0.      0.         0    0.      0.         0    0.      0.        12
_  LYS    80         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLY    81         3    1.76    2.01       0    0.      0.         1    1.76    1.76      21
_  THR    82         0    0.      0.         0    0.      0.         0    0.      0.         7
_  LYS    83         0    0.      0.         0    0.      0.         0    0.      0.         6
_  LYS    84         0    0.      0.         0    0.      0.         0    0.      0.         4
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_per_RESIDUE_for_STRUCTURE_Str_04
$ TABLE #RECORDS 84 #ITEMS 13
Chn Resnm Res  NumUPPv MaxUPPv TotUPPv NumLOWv MaxLOWv TotLOWv NumBIGv MaxBIGv TotBIGv  NRestr
_  GLY     1         0    0.      0.         0    0.      0.         0    0.      0.         0
_  SER     2         0    0.      0.         0    0.      0.         0    0.      0.         0
_  HIS     3         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ASN     4         0    0.      0.         0    0.      0.         0    0.      0.         2
_  LYS     5         0    0.      0.         0    0.      0.         0    0.      0.         5
_  PRO     6         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLU     7         0    0.      0.         0    0.      0.         0    0.      0.         4
_  LEU     8         0    0.      0.         0    0.      0.         0    0.      0.         3
_  LEU     9         1    1.18    1.18       0    0.      0.         1    1.18    1.18       8
_  TYR    10         8    1.69    5.45       0    0.      0.         4    1.69    4.76      26
_  ARG    11         0    0.      0.         0    0.      0.         0    0.      0.         6
_  GLU    12         1    0.13    0.13       0    0.      0.         0    0.      0.         8
_  GLU    13         0    0.      0.         0    0.      0.         0    0.      0.         3
_  THR    14         1    0.13    0.13       0    0.      0.         0    0.      0.         6
_  ILE    15         0    0.      0.         0    0.      0.         0    0.      0.        14
_  GLU    16         0    0.      0.         0    0.      0.         0    0.      0.         4
_  THR    17         1    0.71    0.71       0    0.      0.         1    0.71    0.71       6
_  LYS    18         0    0.      0.         0    0.      0.         0    0.      0.         2
_  ILE    19         3    0.68    1.28       0    0.      0.         1    0.68    0.68      31
_  ASP    20         3    0.68    1.24       0    0.      0.         1    0.68    0.68      18
_  PHE    21         5    3.00    6.18       0    0.      0.         3    3.00    5.47      21
_  GLN    22         1    0.47    0.47       0    0.      0.         1    0.47    0.47       8
_  GLU    23         1    0.08    0.08       0    0.      0.         0    0.      0.         9
_  GLU    24         1    0.08    0.08       0    0.      0.         0    0.      0.         8
_  ILE    25         0    0.      0.         0    0.      0.         0    0.      0.        12
_  GLN    26         3    1.51    2.84       0    0.      0.         3    1.51    2.84      26
_  GLU    27         0    0.      0.         0    0.      0.         0    0.      0.         6
_  ASN    28         0    0.      0.         0    0.      0.         0    0.      0.        29
_  PRO    29         2    1.48    1.56       0    0.      0.         1    1.48    1.48      10
_  ASP    30         1    0.08    0.08       0    0.      0.         0    0.      0.        18
_  LEU    31         0    0.      0.         0    0.      0.         0    0.      0.        23
_  ALA    32         0    0.      0.         0    0.      0.         0    0.      0.        15
_  GLU    33         0    0.      0.         0    0.      0.         0    0.      0.        12
_  GLY    34         0    0.      0.         0    0.      0.         0    0.      0.         7
_  THR    35         0    0.      0.         0    0.      0.         0    0.      0.        17
_  VAL    36         0    0.      0.         0    0.      0.         0    0.      0.         4
_  ARG    37         0    0.      0.         0    0.      0.         0    0.      0.         2
_  VAL    38         0    0.      0.         0    0.      0.         0    0.      0.         7
_  LYS    39         0    0.      0.         0    0.      0.         0    0.      0.         4
_  GLN    40         2    0.09    0.10       0    0.      0.         0    0.      0.        16
_  GLU    41         0    0.      0.         0    0.      0.         0    0.      0.         0
_  GLY    42         0    0.      0.         0    0.      0.         0    0.      0.         0
_  LYS    43         0    0.      0.         0    0.      0.         0    0.      0.         3
_  LEU    44         5    3.00    6.14       0    0.      0.         3    3.00    5.47      21
_  GLY    45         0    0.      0.         0    0.      0.         0    0.      0.        12
_  LYS    46         1    0.71    0.71       0    0.      0.         1    0.71    0.71      22
_  LYS    47         0    0.      0.         0    0.      0.         0    0.      0.         3
_  VAL    48         0    0.      0.         0    0.      0.         0    0.      0.         4
_  GLU    49         0    0.      0.         0    0.      0.         0    0.      0.         7
_  ILE    50         1    0.27    0.27       0    0.      0.         0    0.      0.        17
_  VAL    51         0    0.      0.         0    0.      0.         0    0.      0.         3
_  ARG    52         1    0.10    0.10       0    0.      0.         0    0.      0.        10
_  ILE    53         0    0.      0.         0    0.      0.         0    0.      0.         2
_  PHE    54         9    1.69    6.93       0    0.      0.         6    1.69    6.52      22
_  SER    55         3    0.34    0.67       0    0.      0.         0    0.      0.        23
_  VAL    56         0    0.      0.         0    0.      0.         0    0.      0.         6
_  ASN    57         2    1.59    1.74       0    0.      0.         1    1.59    1.59      17
_  LYS    58         3    1.59    2.08       0    0.      0.         1    1.59    1.59       9
_  GLU    59         0    0.      0.         0    0.      0.         0    0.      0.         9
_  GLU    60         0    0.      0.         0    0.      0.         0    0.      0.        14
_  VAL    61         0    0.      0.         0    0.      0.         0    0.      0.         9
_  SER    62         2    0.58    0.63       0    0.      0.         1    0.58    0.58      14
_  ARG    63         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLU    64         0    0.      0.         0    0.      0.         0    0.      0.         3
_  ILE    65         0    0.      0.         0    0.      0.         0    0.      0.         8
_  VAL    66         1    0.10    0.10       0    0.      0.         0    0.      0.         5
_  SER    67         1    0.27    0.27       0    0.      0.         0    0.      0.        16
_  THR    68         0    0.      0.         0    0.      0.         0    0.      0.         2
_  SER    69         0    0.      0.         0    0.      0.         0    0.      0.         4
_  THR    70         0    0.      0.         0    0.      0.         0    0.      0.         1
_  THR    71         0    0.      0.         0    0.      0.         0    0.      0.        13
_  ALA    72         0    0.      0.         0    0.      0.         0    0.      0.        14
_  PRO    73         0    0.      0.         0    0.      0.         0    0.      0.        13
_  SER    74         1    0.47    0.47       0    0.      0.         1    0.47    0.47      16
_  PRO    75         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ARG    76         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ILE    77         6    1.51    3.25       0    0.      0.         3    1.51    2.84      12
_  VAL    78         1    0.31    0.31       0    0.      0.         0    0.      0.         6
_  GLU    79         0    0.      0.         0    0.      0.         0    0.      0.        12
_  LYS    80         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLY    81         1    1.48    1.48       0    0.      0.         1    1.48    1.48      21
_  THR    82         0    0.      0.         0    0.      0.         0    0.      0.         7
_  LYS    83         1    0.49    0.49       0    0.      0.         1    0.49    0.49       6
_  LYS    84         1    0.49    0.49       0    0.      0.         1    0.49    0.49       4
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_per_RESIDUE_for_STRUCTURE_Str_05
$ TABLE #RECORDS 84 #ITEMS 13
Chn Resnm Res  NumUPPv MaxUPPv TotUPPv NumLOWv MaxLOWv TotLOWv NumBIGv MaxBIGv TotBIGv  NRestr
_  GLY     1         0    0.      0.         0    0.      0.         0    0.      0.         0
_  SER     2         0    0.      0.         0    0.      0.         0    0.      0.         0
_  HIS     3         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ASN     4         0    0.      0.         0    0.      0.         0    0.      0.         2
_  LYS     5         0    0.      0.         0    0.      0.         0    0.      0.         5
_  PRO     6         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLU     7         0    0.      0.         0    0.      0.         0    0.      0.         4
_  LEU     8         0    0.      0.         0    0.      0.         0    0.      0.         3
_  LEU     9         1    1.32    1.32       0    0.      0.         1    1.32    1.32       8
_  TYR    10         9    1.76    5.63       0    0.      0.         4    1.76    5.04      26
_  ARG    11         0    0.      0.         0    0.      0.         0    0.      0.         6
_  GLU    12         1    0.30    0.30       0    0.      0.         0    0.      0.         8
_  GLU    13         0    0.      0.         0    0.      0.         0    0.      0.         3
_  THR    14         1    0.30    0.30       0    0.      0.         0    0.      0.         6
_  ILE    15         0    0.      0.         0    0.      0.         0    0.      0.        14
_  GLU    16         0    0.      0.         0    0.      0.         0    0.      0.         4
_  THR    17         1    0.68    0.68       0    0.      0.         1    0.68    0.68       6
_  LYS    18         0    0.      0.         0    0.      0.         0    0.      0.         2
_  ILE    19         3    0.68    1.28       0    0.      0.         1    0.68    0.68      31
_  ASP    20         3    0.68    1.27       0    0.      0.         1    0.68    0.68      18
_  PHE    21         6    3.02    6.09       0    0.      0.         3    3.02    5.44      21
_  GLN    22         0    0.      0.         0    0.      0.         0    0.      0.         8
_  GLU    23         0    0.      0.         0    0.      0.         0    0.      0.         9
_  GLU    24         0    0.      0.         0    0.      0.         0    0.      0.         8
_  ILE    25         0    0.      0.         0    0.      0.         0    0.      0.        12
_  GLN    26         3    1.33    2.55       0    0.      0.         3    1.33    2.55      26
_  GLU    27         0    0.      0.         0    0.      0.         0    0.      0.         6
_  ASN    28         0    0.      0.         0    0.      0.         0    0.      0.        29
_  PRO    29         1    1.33    1.33       0    0.      0.         1    1.33    1.33      10
_  ASP    30         0    0.      0.         0    0.      0.         0    0.      0.        18
_  LEU    31         0    0.      0.         0    0.      0.         0    0.      0.        23
_  ALA    32         1    0.02    0.02       0    0.      0.         0    0.      0.        15
_  GLU    33         0    0.      0.         0    0.      0.         0    0.      0.        12
_  GLY    34         0    0.      0.         0    0.      0.         0    0.      0.         7
_  THR    35         0    0.      0.         0    0.      0.         0    0.      0.        17
_  VAL    36         0    0.      0.         0    0.      0.         0    0.      0.         4
_  ARG    37         0    0.      0.         0    0.      0.         0    0.      0.         2
_  VAL    38         0    0.      0.         0    0.      0.         0    0.      0.         7
_  LYS    39         0    0.      0.         0    0.      0.         0    0.      0.         4
_  GLN    40         1    0.      0.         0    0.      0.         0    0.      0.        16
_  GLU    41         0    0.      0.         0    0.      0.         0    0.      0.         0
_  GLY    42         0    0.      0.         0    0.      0.         0    0.      0.         0
_  LYS    43         0    0.      0.         0    0.      0.         0    0.      0.         3
_  LEU    44         5    3.02    6.05       0    0.      0.         3    3.02    5.44      21
_  GLY    45         1    0.03    0.03       0    0.      0.         0    0.      0.        12
_  LYS    46         1    0.68    0.68       0    0.      0.         1    0.68    0.68      22
_  LYS    47         0    0.      0.         0    0.      0.         0    0.      0.         3
_  VAL    48         0    0.      0.         0    0.      0.         0    0.      0.         4
_  GLU    49         0    0.      0.         0    0.      0.         0    0.      0.         7
_  ILE    50         3    1.01    1.90       0    0.      0.         2    1.01    1.71      17
_  VAL    51         0    0.      0.         0    0.      0.         0    0.      0.         3
_  ARG    52         2    0.24    0.24       0    0.      0.         0    0.      0.        10
_  ILE    53         0    0.      0.         0    0.      0.         0    0.      0.         2
_  PHE    54         9    1.76    7.59       0    0.      0.         6    1.76    7.03      22
_  SER    55         3    0.31    0.48       0    0.      0.         0    0.      0.        23
_  VAL    56         0    0.      0.         0    0.      0.         0    0.      0.         6
_  ASN    57         2    1.53    1.59       0    0.      0.         1    1.53    1.53      17
_  LYS    58         3    1.53    1.90       0    0.      0.         1    1.53    1.53       9
_  GLU    59         0    0.      0.         0    0.      0.         0    0.      0.         9
_  GLU    60         0    0.      0.         0    0.      0.         0    0.      0.        14
_  VAL    61         0    0.      0.         0    0.      0.         0    0.      0.         9
_  SER    62         2    0.66    0.83       0    0.      0.         1    0.66    0.66      14
_  ARG    63         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLU    64         0    0.      0.         0    0.      0.         0    0.      0.         3
_  ILE    65         0    0.      0.         0    0.      0.         0    0.      0.         8
_  VAL    66         1    0.24    0.24       0    0.      0.         0    0.      0.         5
_  SER    67         3    1.01    1.90       0    0.      0.         2    1.01    1.71      16
_  THR    68         0    0.      0.         0    0.      0.         0    0.      0.         2
_  SER    69         0    0.      0.         0    0.      0.         0    0.      0.         4
_  THR    70         0    0.      0.         0    0.      0.         0    0.      0.         1
_  THR    71         0    0.      0.         0    0.      0.         0    0.      0.        13
_  ALA    72         1    0.01    0.01       0    0.      0.         0    0.      0.        14
_  PRO    73         1    0.01    0.01       0    0.      0.         0    0.      0.        13
_  SER    74         0    0.      0.         0    0.      0.         0    0.      0.        16
_  PRO    75         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ARG    76         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ILE    77         5    1.33    2.75       0    0.      0.         3    1.33    2.55      12
_  VAL    78         1    0.20    0.20       0    0.      0.         0    0.      0.         6
_  GLU    79         0    0.      0.         0    0.      0.         0    0.      0.        12
_  LYS    80         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLY    81         1    1.33    1.33       0    0.      0.         1    1.33    1.33      21
_  THR    82         1    0.02    0.02       0    0.      0.         0    0.      0.         7
_  LYS    83         0    0.      0.         0    0.      0.         0    0.      0.         6
_  LYS    84         0    0.      0.         0    0.      0.         0    0.      0.         4
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_per_RESIDUE_for_STRUCTURE_Str_06
$ TABLE #RECORDS 84 #ITEMS 13
Chn Resnm Res  NumUPPv MaxUPPv TotUPPv NumLOWv MaxLOWv TotLOWv NumBIGv MaxBIGv TotBIGv  NRestr
_  GLY     1         0    0.      0.         0    0.      0.         0    0.      0.         0
_  SER     2         0    0.      0.         0    0.      0.         0    0.      0.         0
_  HIS     3         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ASN     4         0    0.      0.         0    0.      0.         0    0.      0.         2
_  LYS     5         0    0.      0.         0    0.      0.         0    0.      0.         5
_  PRO     6         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLU     7         0    0.      0.         0    0.      0.         0    0.      0.         4
_  LEU     8         0    0.      0.         0    0.      0.         0    0.      0.         3
_  LEU     9         1    1.28    1.28       0    0.      0.         1    1.28    1.28       8
_  TYR    10         9    1.85    5.57       0    0.      0.         4    1.85    4.86      26
_  ARG    11         0    0.      0.         0    0.      0.         0    0.      0.         6
_  GLU    12         1    0.14    0.14       0    0.      0.         0    0.      0.         8
_  GLU    13         0    0.      0.         0    0.      0.         0    0.      0.         3
_  THR    14         1    0.14    0.14       0    0.      0.         0    0.      0.         6
_  ILE    15         0    0.      0.         0    0.      0.         0    0.      0.        14
_  GLU    16         0    0.      0.         0    0.      0.         0    0.      0.         4
_  THR    17         1    0.53    0.53       0    0.      0.         1    0.53    0.53       6
_  LYS    18         0    0.      0.         0    0.      0.         0    0.      0.         2
_  ILE    19         3    0.68    1.25       0    0.      0.         1    0.68    0.68      31
_  ASP    20         3    0.68    1.23       0    0.      0.         1    0.68    0.68      18
_  PHE    21         6    2.96    5.86       0    0.      0.         3    2.96    5.23      21
_  GLN    22         0    0.      0.         0    0.      0.         0    0.      0.         8
_  GLU    23         0    0.      0.         0    0.      0.         0    0.      0.         9
_  GLU    24         0    0.      0.         0    0.      0.         0    0.      0.         8
_  ILE    25         0    0.      0.         0    0.      0.         0    0.      0.        12
_  GLN    26         4    1.47    3.13       0    0.      0.         3    1.47    3.13      26
_  GLU    27         0    0.      0.         0    0.      0.         0    0.      0.         6
_  ASN    28         0    0.      0.         0    0.      0.         0    0.      0.        29
_  PRO    29         2    1.59    1.59       0    0.      0.         1    1.59    1.59      10
_  ASP    30         1    0.      0.         0    0.      0.         0    0.      0.        18
_  LEU    31         0    0.      0.         0    0.      0.         0    0.      0.        23
_  ALA    32         0    0.      0.         0    0.      0.         0    0.      0.        15
_  GLU    33         0    0.      0.         0    0.      0.         0    0.      0.        12
_  GLY    34         0    0.      0.         0    0.      0.         0    0.      0.         7
_  THR    35         0    0.      0.         0    0.      0.         0    0.      0.        17
_  VAL    36         0    0.      0.         0    0.      0.         0    0.      0.         4
_  ARG    37         0    0.      0.         0    0.      0.         0    0.      0.         2
_  VAL    38         0    0.      0.         0    0.      0.         0    0.      0.         7
_  LYS    39         0    0.      0.         0    0.      0.         0    0.      0.         4
_  GLN    40         1    0.03    0.03       0    0.      0.         0    0.      0.        16
_  GLU    41         0    0.      0.         0    0.      0.         0    0.      0.         0
_  GLY    42         0    0.      0.         0    0.      0.         0    0.      0.         0
_  LYS    43         0    0.      0.         0    0.      0.         0    0.      0.         3
_  LEU    44         5    2.96    5.75       0    0.      0.         3    2.96    5.23      21
_  GLY    45         1    0.10    0.10       0    0.      0.         0    0.      0.        12
_  LYS    46         1    0.53    0.53       0    0.      0.         1    0.53    0.53      22
_  LYS    47         0    0.      0.         0    0.      0.         0    0.      0.         3
_  VAL    48         0    0.      0.         0    0.      0.         0    0.      0.         4
_  GLU    49         0    0.      0.         0    0.      0.         0    0.      0.         7
_  ILE    50         1    0.31    0.31       0    0.      0.         0    0.      0.        17
_  VAL    51         0    0.      0.         0    0.      0.         0    0.      0.         3
_  ARG    52         2    0.28    0.37       0    0.      0.         0    0.      0.        10
_  ILE    53         0    0.      0.         0    0.      0.         0    0.      0.         2
_  PHE    54         9    1.85    7.08       0    0.      0.         6    1.85    6.72      22
_  SER    55         3    0.27    0.54       0    0.      0.         0    0.      0.        23
_  VAL    56         1    0.51    0.51       0    0.      0.         1    0.51    0.51       6
_  ASN    57         2    0.89    1.40       0    0.      0.         2    0.89    1.40      17
_  LYS    58         2    0.89    1.10       0    0.      0.         1    0.89    0.89       9
_  GLU    59         0    0.      0.         0    0.      0.         0    0.      0.         9
_  GLU    60         0    0.      0.         0    0.      0.         0    0.      0.        14
_  VAL    61         0    0.      0.         0    0.      0.         0    0.      0.         9
_  SER    62         2    0.58    0.66       0    0.      0.         1    0.58    0.58      14
_  ARG    63         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLU    64         0    0.      0.         0    0.      0.         0    0.      0.         3
_  ILE    65         0    0.      0.         0    0.      0.         0    0.      0.         8
_  VAL    66         1    0.28    0.28       0    0.      0.         0    0.      0.         5
_  SER    67         1    0.31    0.31       0    0.      0.         0    0.      0.        16
_  THR    68         0    0.      0.         0    0.      0.         0    0.      0.         2
_  SER    69         0    0.      0.         0    0.      0.         0    0.      0.         4
_  THR    70         0    0.      0.         0    0.      0.         0    0.      0.         1
_  THR    71         0    0.      0.         0    0.      0.         0    0.      0.        13
_  ALA    72         1    0.      0.         0    0.      0.         0    0.      0.        14
_  PRO    73         1    0.      0.         0    0.      0.         0    0.      0.        13
_  SER    74         0    0.      0.         0    0.      0.         0    0.      0.        16
_  PRO    75         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ARG    76         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ILE    77         5    1.47    3.34       0    0.      0.         3    1.47    3.13      12
_  VAL    78         1    0.18    0.18       0    0.      0.         0    0.      0.         6
_  GLU    79         0    0.      0.         0    0.      0.         0    0.      0.        12
_  LYS    80         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLY    81         1    1.59    1.59       0    0.      0.         1    1.59    1.59      21
_  THR    82         0    0.      0.         0    0.      0.         0    0.      0.         7
_  LYS    83         0    0.      0.         0    0.      0.         0    0.      0.         6
_  LYS    84         0    0.      0.         0    0.      0.         0    0.      0.         4
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_per_RESIDUE_for_STRUCTURE_Str_07
$ TABLE #RECORDS 84 #ITEMS 13
Chn Resnm Res  NumUPPv MaxUPPv TotUPPv NumLOWv MaxLOWv TotLOWv NumBIGv MaxBIGv TotBIGv  NRestr
_  GLY     1         0    0.      0.         0    0.      0.         0    0.      0.         0
_  SER     2         0    0.      0.         0    0.      0.         0    0.      0.         0
_  HIS     3         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ASN     4         0    0.      0.         0    0.      0.         0    0.      0.         2
_  LYS     5         0    0.      0.         0    0.      0.         0    0.      0.         5
_  PRO     6         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLU     7         0    0.      0.         0    0.      0.         0    0.      0.         4
_  LEU     8         0    0.      0.         0    0.      0.         0    0.      0.         3
_  LEU     9         1    1.25    1.25       0    0.      0.         1    1.25    1.25       8
_  TYR    10         9    1.85    5.77       0    0.      0.         4    1.85    5.04      26
_  ARG    11         0    0.      0.         0    0.      0.         0    0.      0.         6
_  GLU    12         1    0.14    0.14       0    0.      0.         0    0.      0.         8
_  GLU    13         0    0.      0.         0    0.      0.         0    0.      0.         3
_  THR    14         1    0.14    0.14       0    0.      0.         0    0.      0.         6
_  ILE    15         0    0.      0.         0    0.      0.         0    0.      0.        14
_  GLU    16         0    0.      0.         0    0.      0.         0    0.      0.         4
_  THR    17         1    0.64    0.64       0    0.      0.         1    0.64    0.64       6
_  LYS    18         0    0.      0.         0    0.      0.         0    0.      0.         2
_  ILE    19         3    0.68    1.29       0    0.      0.         1    0.68    0.68      31
_  ASP    20         3    0.68    1.32       0    0.      0.         1    0.68    0.68      18
_  PHE    21         5    3.01    6.07       0    0.      0.         3    3.01    5.41      21
_  GLN    22         1    0.03    0.03       0    0.      0.         0    0.      0.         8
_  GLU    23         0    0.      0.         0    0.      0.         0    0.      0.         9
_  GLU    24         0    0.      0.         0    0.      0.         0    0.      0.         8
_  ILE    25         0    0.      0.         0    0.      0.         0    0.      0.        12
_  GLN    26         3    1.41    2.53       0    0.      0.         2    1.41    2.14      26
_  GLU    27         0    0.      0.         0    0.      0.         0    0.      0.         6
_  ASN    28         1    0.20    0.20       0    0.      0.         0    0.      0.        29
_  PRO    29         1    1.78    1.78       0    0.      0.         1    1.78    1.78      10
_  ASP    30         0    0.      0.         0    0.      0.         0    0.      0.        18
_  LEU    31         1    0.10    0.10       0    0.      0.         0    0.      0.        23
_  ALA    32         1    0.01    0.01       0    0.      0.         0    0.      0.        15
_  GLU    33         0    0.      0.         0    0.      0.         0    0.      0.        12
_  GLY    34         0    0.      0.         0    0.      0.         0    0.      0.         7
_  THR    35         1    0.01    0.01       0    0.      0.         0    0.      0.        17
_  VAL    36         0    0.      0.         0    0.      0.         0    0.      0.         4
_  ARG    37         0    0.      0.         0    0.      0.         0    0.      0.         2
_  VAL    38         0    0.      0.         0    0.      0.         0    0.      0.         7
_  LYS    39         0    0.      0.         0    0.      0.         0    0.      0.         4
_  GLN    40         2    0.07    0.09       0    0.      0.         0    0.      0.        16
_  GLU    41         0    0.      0.         0    0.      0.         0    0.      0.         0
_  GLY    42         0    0.      0.         0    0.      0.         0    0.      0.         0
_  LYS    43         0    0.      0.         0    0.      0.         0    0.      0.         3
_  LEU    44         5    3.01    6.10       0    0.      0.         3    3.01    5.41      21
_  GLY    45         0    0.      0.         0    0.      0.         0    0.      0.        12
_  LYS    46         1    0.64    0.64       0    0.      0.         1    0.64    0.64      22
_  LYS    47         0    0.      0.         0    0.      0.         0    0.      0.         3
_  VAL    48         0    0.      0.         0    0.      0.         0    0.      0.         4
_  GLU    49         0    0.      0.         0    0.      0.         0    0.      0.         7
_  ILE    50         3    0.97    1.67       0    0.      0.         2    0.97    1.60      17
_  VAL    51         0    0.      0.         0    0.      0.         0    0.      0.         3
_  ARG    52         2    0.21    0.26       0    0.      0.         0    0.      0.        10
_  ILE    53         0    0.      0.         0    0.      0.         0    0.      0.         2
_  PHE    54         9    1.85    7.45       0    0.      0.         6    1.85    6.90      22
_  SER    55         3    0.25    0.31       0    0.      0.         0    0.      0.        23
_  VAL    56         1    0.47    0.47       0    0.      0.         1    0.47    0.47       6
_  ASN    57         2    0.82    1.29       0    0.      0.         2    0.82    1.29      17
_  LYS    58         1    0.82    0.82       0    0.      0.         1    0.82    0.82       9
_  GLU    59         0    0.      0.         0    0.      0.         0    0.      0.         9
_  GLU    60         1    0.03    0.03       0    0.      0.         0    0.      0.        14
_  VAL    61         0    0.      0.         0    0.      0.         0    0.      0.         9
_  SER    62         2    0.61    0.76       0    0.      0.         1    0.61    0.61      14
_  ARG    63         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLU    64         0    0.      0.         0    0.      0.         0    0.      0.         3
_  ILE    65         0    0.      0.         0    0.      0.         0    0.      0.         8
_  VAL    66         1    0.21    0.21       0    0.      0.         0    0.      0.         5
_  SER    67         3    0.97    1.67       0    0.      0.         2    0.97    1.60      16
_  THR    68         0    0.      0.         0    0.      0.         0    0.      0.         2
_  SER    69         0    0.      0.         0    0.      0.         0    0.      0.         4
_  THR    70         0    0.      0.         0    0.      0.         0    0.      0.         1
_  THR    71         0    0.      0.         0    0.      0.         0    0.      0.        13
_  ALA    72         1    0.03    0.03       0    0.      0.         0    0.      0.        14
_  PRO    73         1    0.03    0.03       0    0.      0.         0    0.      0.        13
_  SER    74         1    0.03    0.03       0    0.      0.         0    0.      0.        16
_  PRO    75         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ARG    76         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ILE    77         6    1.41    2.90       0    0.      0.         2    1.41    2.14      12
_  VAL    78         1    0.29    0.29       0    0.      0.         0    0.      0.         6
_  GLU    79         0    0.      0.         0    0.      0.         0    0.      0.        12
_  LYS    80         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLY    81         3    1.78    2.08       0    0.      0.         1    1.78    1.78      21
_  THR    82         0    0.      0.         0    0.      0.         0    0.      0.         7
_  LYS    83         0    0.      0.         0    0.      0.         0    0.      0.         6
_  LYS    84         0    0.      0.         0    0.      0.         0    0.      0.         4
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_per_RESIDUE_for_STRUCTURE_Str_08
$ TABLE #RECORDS 84 #ITEMS 13
Chn Resnm Res  NumUPPv MaxUPPv TotUPPv NumLOWv MaxLOWv TotLOWv NumBIGv MaxBIGv TotBIGv  NRestr
_  GLY     1         0    0.      0.         0    0.      0.         0    0.      0.         0
_  SER     2         0    0.      0.         0    0.      0.         0    0.      0.         0
_  HIS     3         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ASN     4         0    0.      0.         0    0.      0.         0    0.      0.         2
_  LYS     5         0    0.      0.         0    0.      0.         0    0.      0.         5
_  PRO     6         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLU     7         0    0.      0.         0    0.      0.         0    0.      0.         4
_  LEU     8         0    0.      0.         0    0.      0.         0    0.      0.         3
_  LEU     9         1    1.29    1.29       0    0.      0.         1    1.29    1.29       8
_  TYR    10         7    1.43    4.61       0    0.      0.         4    1.43    4.10      26
_  ARG    11         1    0.06    0.06       0    0.      0.         0    0.      0.         6
_  GLU    12         0    0.      0.         0    0.      0.         0    0.      0.         8
_  GLU    13         0    0.      0.         0    0.      0.         0    0.      0.         3
_  THR    14         0    0.      0.         0    0.      0.         0    0.      0.         6
_  ILE    15         0    0.      0.         0    0.      0.         0    0.      0.        14
_  GLU    16         0    0.      0.         0    0.      0.         0    0.      0.         4
_  THR    17         1    0.65    0.65       0    0.      0.         1    0.65    0.65       6
_  LYS    18         0    0.      0.         0    0.      0.         0    0.      0.         2
_  ILE    19         2    0.68    0.98       0    0.      0.         1    0.68    0.68      31
_  ASP    20         2    0.68    1.00       0    0.      0.         1    0.68    0.68      18
_  PHE    21         5    2.98    5.90       0    0.      0.         3    2.98    5.34      21
_  GLN    22         1    0.03    0.03       0    0.      0.         0    0.      0.         8
_  GLU    23         0    0.      0.         0    0.      0.         0    0.      0.         9
_  GLU    24         0    0.      0.         0    0.      0.         0    0.      0.         8
_  ILE    25         0    0.      0.         0    0.      0.         0    0.      0.        12
_  GLN    26         3    1.45    2.78       0    0.      0.         3    1.45    2.78      26
_  GLU    27         0    0.      0.         0    0.      0.         0    0.      0.         6
_  ASN    28         1    0.01    0.01       0    0.      0.         0    0.      0.        29
_  PRO    29         1    1.20    1.20       0    0.      0.         1    1.20    1.20      10
_  ASP    30         0    0.      0.         0    0.      0.         0    0.      0.        18
_  LEU    31         0    0.      0.         0    0.      0.         0    0.      0.        23
_  ALA    32         1    0.01    0.01       0    0.      0.         0    0.      0.        15
_  GLU    33         0    0.      0.         0    0.      0.         0    0.      0.        12
_  GLY    34         0    0.      0.         0    0.      0.         0    0.      0.         7
_  THR    35         0    0.      0.         0    0.      0.         0    0.      0.        17
_  VAL    36         0    0.      0.         0    0.      0.         0    0.      0.         4
_  ARG    37         0    0.      0.         0    0.      0.         0    0.      0.         2
_  VAL    38         0    0.      0.         0    0.      0.         0    0.      0.         7
_  LYS    39         0    0.      0.         0    0.      0.         0    0.      0.         4
_  GLN    40         0    0.      0.         0    0.      0.         0    0.      0.        16
_  GLU    41         0    0.      0.         0    0.      0.         0    0.      0.         0
_  GLY    42         0    0.      0.         0    0.      0.         0    0.      0.         0
_  LYS    43         0    0.      0.         0    0.      0.         0    0.      0.         3
_  LEU    44         5    2.98    5.92       0    0.      0.         3    2.98    5.34      21
_  GLY    45         0    0.      0.         0    0.      0.         0    0.      0.        12
_  LYS    46         1    0.65    0.65       0    0.      0.         1    0.65    0.65      22
_  LYS    47         0    0.      0.         0    0.      0.         0    0.      0.         3
_  VAL    48         0    0.      0.         0    0.      0.         0    0.      0.         4
_  GLU    49         1    0.05    0.05       0    0.      0.         0    0.      0.         7
_  ILE    50         2    0.39    0.52       0    0.      0.         0    0.      0.        17
_  VAL    51         0    0.      0.         0    0.      0.         0    0.      0.         3
_  ARG    52         1    0.24    0.24       0    0.      0.         0    0.      0.        10
_  ILE    53         0    0.      0.         0    0.      0.         0    0.      0.         2
_  PHE    54        10    1.43    6.75       0    0.      0.         6    1.43    6.14      22
_  SER    55         3    0.08    0.17       0    0.      0.         0    0.      0.        23
_  VAL    56         1    0.60    0.60       0    0.      0.         1    0.60    0.60       6
_  ASN    57         4    0.79    1.43       0    0.      0.         2    0.79    1.38      17
_  LYS    58         3    0.79    0.90       0    0.      0.         1    0.79    0.79       9
_  GLU    59         1    0.03    0.03       0    0.      0.         0    0.      0.         9
_  GLU    60         0    0.      0.         0    0.      0.         0    0.      0.        14
_  VAL    61         0    0.      0.         0    0.      0.         0    0.      0.         9
_  SER    62         2    0.75    1.07       0    0.      0.         1    0.75    0.75      14
_  ARG    63         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLU    64         0    0.      0.         0    0.      0.         0    0.      0.         3
_  ILE    65         0    0.      0.         0    0.      0.         0    0.      0.         8
_  VAL    66         0    0.      0.         0    0.      0.         0    0.      0.         5
_  SER    67         3    0.39    0.56       0    0.      0.         0    0.      0.        16
_  THR    68         0    0.      0.         0    0.      0.         0    0.      0.         2
_  SER    69         0    0.      0.         0    0.      0.         0    0.      0.         4
_  THR    70         0    0.      0.         0    0.      0.         0    0.      0.         1
_  THR    71         0    0.      0.         0    0.      0.         0    0.      0.        13
_  ALA    72         1    0.03    0.03       0    0.      0.         0    0.      0.        14
_  PRO    73         1    0.03    0.03       0    0.      0.         0    0.      0.        13
_  SER    74         1    0.03    0.03       0    0.      0.         0    0.      0.        16
_  PRO    75         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ARG    76         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ILE    77         4    1.45    3.05       0    0.      0.         3    1.45    2.78      12
_  VAL    78         1    0.26    0.26       0    0.      0.         0    0.      0.         6
_  GLU    79         0    0.      0.         0    0.      0.         0    0.      0.        12
_  LYS    80         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLY    81         2    1.20    1.22       0    0.      0.         1    1.20    1.20      21
_  THR    82         1    0.01    0.01       0    0.      0.         0    0.      0.         7
_  LYS    83         1    0.01    0.01       0    0.      0.         0    0.      0.         6
_  LYS    84         1    0.01    0.01       0    0.      0.         0    0.      0.         4
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_per_RESIDUE_for_STRUCTURE_Str_09
$ TABLE #RECORDS 84 #ITEMS 13
Chn Resnm Res  NumUPPv MaxUPPv TotUPPv NumLOWv MaxLOWv TotLOWv NumBIGv MaxBIGv TotBIGv  NRestr
_  GLY     1         0    0.      0.         0    0.      0.         0    0.      0.         0
_  SER     2         0    0.      0.         0    0.      0.         0    0.      0.         0
_  HIS     3         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ASN     4         0    0.      0.         0    0.      0.         0    0.      0.         2
_  LYS     5         0    0.      0.         0    0.      0.         0    0.      0.         5
_  PRO     6         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLU     7         0    0.      0.         0    0.      0.         0    0.      0.         4
_  LEU     8         0    0.      0.         0    0.      0.         0    0.      0.         3
_  LEU     9         1    1.19    1.19       0    0.      0.         1    1.19    1.19       8
_  TYR    10         7    1.71    5.63       0    0.      0.         4    1.71    4.96      26
_  ARG    11         0    0.      0.         0    0.      0.         0    0.      0.         6
_  GLU    12         1    0.24    0.24       0    0.      0.         0    0.      0.         8
_  GLU    13         0    0.      0.         0    0.      0.         0    0.      0.         3
_  THR    14         1    0.24    0.24       0    0.      0.         0    0.      0.         6
_  ILE    15         0    0.      0.         0    0.      0.         0    0.      0.        14
_  GLU    16         0    0.      0.         0    0.      0.         0    0.      0.         4
_  THR    17         1    0.63    0.63       0    0.      0.         1    0.63    0.63       6
_  LYS    18         0    0.      0.         0    0.      0.         0    0.      0.         2
_  ILE    19         3    0.69    1.31       0    0.      0.         1    0.69    0.69      31
_  ASP    20         3    0.69    1.17       0    0.      0.         1    0.69    0.69      18
_  PHE    21         7    1.76    3.93       0    0.      0.         2    1.76    2.43      21
_  GLN    22         1    0.48    0.48       0    0.      0.         1    0.48    0.48       8
_  GLU    23         1    0.48    0.48       0    0.      0.         1    0.48    0.48       9
_  GLU    24         0    0.      0.         0    0.      0.         0    0.      0.         8
_  ILE    25         0    0.      0.         0    0.      0.         0    0.      0.        12
_  GLN    26         3    0.52    0.73       0    0.      0.         1    0.52    0.52      26
_  GLU    27         0    0.      0.         0    0.      0.         0    0.      0.         6
_  ASN    28         0    0.      0.         0    0.      0.         0    0.      0.        29
_  PRO    29         1    1.26    1.26       0    0.      0.         1    1.26    1.26      10
_  ASP    30         0    0.      0.         0    0.      0.         0    0.      0.        18
_  LEU    31         1    0.06    0.06       0    0.      0.         0    0.      0.        23
_  ALA    32         2    0.22    0.40       0    0.      0.         0    0.      0.        15
_  GLU    33         0    0.      0.         0    0.      0.         0    0.      0.        12
_  GLY    34         0    0.      0.         0    0.      0.         0    0.      0.         7
_  THR    35         1    0.18    0.18       0    0.      0.         0    0.      0.        17
_  VAL    36         0    0.      0.         0    0.      0.         0    0.      0.         4
_  ARG    37         0    0.      0.         0    0.      0.         0    0.      0.         2
_  VAL    38         0    0.      0.         0    0.      0.         0    0.      0.         7
_  LYS    39         0    0.      0.         0    0.      0.         0    0.      0.         4
_  GLN    40         0    0.      0.         0    0.      0.         0    0.      0.        16
_  GLU    41         0    0.      0.         0    0.      0.         0    0.      0.         0
_  GLY    42         0    0.      0.         0    0.      0.         0    0.      0.         0
_  LYS    43         0    0.      0.         0    0.      0.         0    0.      0.         3
_  LEU    44         7    1.76    3.54       0    0.      0.         2    1.76    2.43      21
_  GLY    45         2    0.37    0.49       0    0.      0.         0    0.      0.        12
_  LYS    46         1    0.63    0.63       0    0.      0.         1    0.63    0.63      22
_  LYS    47         0    0.      0.         0    0.      0.         0    0.      0.         3
_  VAL    48         0    0.      0.         0    0.      0.         0    0.      0.         4
_  GLU    49         0    0.      0.         0    0.      0.         0    0.      0.         7
_  ILE    50         3    0.99    1.73       0    0.      0.         2    0.99    1.64      17
_  VAL    51         0    0.      0.         0    0.      0.         0    0.      0.         3
_  ARG    52         1    0.21    0.21       0    0.      0.         0    0.      0.        10
_  ILE    53         0    0.      0.         0    0.      0.         0    0.      0.         2
_  PHE    54         8    1.71    7.16       0    0.      0.         6    1.71    6.65      22
_  SER    55         2    0.16    0.27       0    0.      0.         0    0.      0.        23
_  VAL    56         1    0.48    0.48       0    0.      0.         1    0.48    0.48       6
_  ASN    57         2    0.86    1.33       0    0.      0.         2    0.86    1.33      17
_  LYS    58         1    0.86    0.86       0    0.      0.         1    0.86    0.86       9
_  GLU    59         0    0.      0.         0    0.      0.         0    0.      0.         9
_  GLU    60         1    0.11    0.11       0    0.      0.         0    0.      0.        14
_  VAL    61         0    0.      0.         0    0.      0.         0    0.      0.         9
_  SER    62         1    0.50    0.50       0    0.      0.         1    0.50    0.50      14
_  ARG    63         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLU    64         0    0.      0.         0    0.      0.         0    0.      0.         3
_  ILE    65         0    0.      0.         0    0.      0.         0    0.      0.         8
_  VAL    66         1    0.21    0.21       0    0.      0.         0    0.      0.         5
_  SER    67         3    0.99    1.73       0    0.      0.         2    0.99    1.64      16
_  THR    68         0    0.      0.         0    0.      0.         0    0.      0.         2
_  SER    69         0    0.      0.         0    0.      0.         0    0.      0.         4
_  THR    70         0    0.      0.         0    0.      0.         0    0.      0.         1
_  THR    71         0    0.      0.         0    0.      0.         0    0.      0.        13
_  ALA    72         1    0.04    0.04       0    0.      0.         0    0.      0.        14
_  PRO    73         1    0.04    0.04       0    0.      0.         0    0.      0.        13
_  SER    74         0    0.      0.         0    0.      0.         0    0.      0.        16
_  PRO    75         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ARG    76         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ILE    77         3    0.52    1.11       0    0.      0.         1    0.52    0.52      12
_  VAL    78         1    0.38    0.38       0    0.      0.         0    0.      0.         6
_  GLU    79         0    0.      0.         0    0.      0.         0    0.      0.        12
_  LYS    80         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLY    81         2    1.26    1.33       0    0.      0.         1    1.26    1.26      21
_  THR    82         1    0.22    0.22       0    0.      0.         0    0.      0.         7
_  LYS    83         0    0.      0.         0    0.      0.         0    0.      0.         6
_  LYS    84         0    0.      0.         0    0.      0.         0    0.      0.         4
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_per_RESIDUE_for_STRUCTURE_Str_10
$ TABLE #RECORDS 84 #ITEMS 13
Chn Resnm Res  NumUPPv MaxUPPv TotUPPv NumLOWv MaxLOWv TotLOWv NumBIGv MaxBIGv TotBIGv  NRestr
_  GLY     1         0    0.      0.         0    0.      0.         0    0.      0.         0
_  SER     2         0    0.      0.         0    0.      0.         0    0.      0.         0
_  HIS     3         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ASN     4         0    0.      0.         0    0.      0.         0    0.      0.         2
_  LYS     5         0    0.      0.         0    0.      0.         0    0.      0.         5
_  PRO     6         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLU     7         0    0.      0.         0    0.      0.         0    0.      0.         4
_  LEU     8         0    0.      0.         0    0.      0.         0    0.      0.         3
_  LEU     9         1    1.42    1.42       0    0.      0.         1    1.42    1.42       8
_  TYR    10         8    1.54    5.15       0    0.      0.         5    1.54    4.84      26
_  ARG    11         1    0.08    0.08       0    0.      0.         0    0.      0.         6
_  GLU    12         0    0.      0.         0    0.      0.         0    0.      0.         8
_  GLU    13         0    0.      0.         0    0.      0.         0    0.      0.         3
_  THR    14         0    0.      0.         0    0.      0.         0    0.      0.         6
_  ILE    15         0    0.      0.         0    0.      0.         0    0.      0.        14
_  GLU    16         0    0.      0.         0    0.      0.         0    0.      0.         4
_  THR    17         1    0.66    0.66       0    0.      0.         1    0.66    0.66       6
_  LYS    18         0    0.      0.         0    0.      0.         0    0.      0.         2
_  ILE    19         2    0.68    0.96       0    0.      0.         1    0.68    0.68      31
_  ASP    20         2    0.68    1.00       0    0.      0.         1    0.68    0.68      18
_  PHE    21         6    2.88    5.54       0    0.      0.         3    2.88    5.04      21
_  GLN    22         0    0.      0.         0    0.      0.         0    0.      0.         8
_  GLU    23         0    0.      0.         0    0.      0.         0    0.      0.         9
_  GLU    24         0    0.      0.         0    0.      0.         0    0.      0.         8
_  ILE    25         0    0.      0.         0    0.      0.         0    0.      0.        12
_  GLN    26         1    0.05    0.05       0    0.      0.         0    0.      0.        26
_  GLU    27         0    0.      0.         0    0.      0.         0    0.      0.         6
_  ASN    28         1    0.08    0.08       0    0.      0.         0    0.      0.        29
_  PRO    29         1    1.30    1.30       0    0.      0.         1    1.30    1.30      10
_  ASP    30         0    0.      0.         0    0.      0.         0    0.      0.        18
_  LEU    31         0    0.      0.         0    0.      0.         0    0.      0.        23
_  ALA    32         1    0.11    0.11       0    0.      0.         0    0.      0.        15
_  GLU    33         0    0.      0.         0    0.      0.         0    0.      0.        12
_  GLY    34         0    0.      0.         0    0.      0.         0    0.      0.         7
_  THR    35         0    0.      0.         0    0.      0.         0    0.      0.        17
_  VAL    36         0    0.      0.         0    0.      0.         0    0.      0.         4
_  ARG    37         0    0.      0.         0    0.      0.         0    0.      0.         2
_  VAL    38         0    0.      0.         0    0.      0.         0    0.      0.         7
_  LYS    39         0    0.      0.         0    0.      0.         0    0.      0.         4
_  GLN    40         1    0.06    0.06       0    0.      0.         0    0.      0.        16
_  GLU    41         0    0.      0.         0    0.      0.         0    0.      0.         0
_  GLY    42         0    0.      0.         0    0.      0.         0    0.      0.         0
_  LYS    43         0    0.      0.         0    0.      0.         0    0.      0.         3
_  LEU    44         5    2.88    5.55       0    0.      0.         3    2.88    5.04      21
_  GLY    45         1    0.03    0.03       0    0.      0.         0    0.      0.        12
_  LYS    46         1    0.66    0.66       0    0.      0.         1    0.66    0.66      22
_  LYS    47         0    0.      0.         0    0.      0.         0    0.      0.         3
_  VAL    48         0    0.      0.         0    0.      0.         0    0.      0.         4
_  GLU    49         1    0.10    0.10       0    0.      0.         0    0.      0.         7
_  ILE    50         2    0.48    0.69       0    0.      0.         1    0.48    0.48      17
_  VAL    51         0    0.      0.         0    0.      0.         0    0.      0.         3
_  ARG    52         1    0.18    0.18       0    0.      0.         0    0.      0.        10
_  ILE    53         0    0.      0.         0    0.      0.         0    0.      0.         2
_  PHE    54         9    1.54    7.09       0    0.      0.         7    1.54    6.86      22
_  SER    55         3    0.13    0.24       0    0.      0.         0    0.      0.        23
_  VAL    56         1    0.50    0.50       0    0.      0.         1    0.50    0.50       6
_  ASN    57         2    0.87    1.37       0    0.      0.         2    0.87    1.37      17
_  LYS    58         1    0.87    0.87       0    0.      0.         1    0.87    0.87       9
_  GLU    59         0    0.      0.         0    0.      0.         0    0.      0.         9
_  GLU    60         1    0.13    0.13       0    0.      0.         0    0.      0.        14
_  VAL    61         0    0.      0.         0    0.      0.         0    0.      0.         9
_  SER    62         2    0.60    0.74       0    0.      0.         1    0.60    0.60      14
_  ARG    63         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLU    64         0    0.      0.         0    0.      0.         0    0.      0.         3
_  ILE    65         0    0.      0.         0    0.      0.         0    0.      0.         8
_  VAL    66         0    0.      0.         0    0.      0.         0    0.      0.         5
_  SER    67         3    0.48    0.79       0    0.      0.         1    0.48    0.48      16
_  THR    68         0    0.      0.         0    0.      0.         0    0.      0.         2
_  SER    69         0    0.      0.         0    0.      0.         0    0.      0.         4
_  THR    70         0    0.      0.         0    0.      0.         0    0.      0.         1
_  THR    71         0    0.      0.         0    0.      0.         0    0.      0.        13
_  ALA    72         1    0.04    0.04       0    0.      0.         0    0.      0.        14
_  PRO    73         1    0.04    0.04       0    0.      0.         0    0.      0.        13
_  SER    74         0    0.      0.         0    0.      0.         0    0.      0.        16
_  PRO    75         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ARG    76         0    0.      0.         0    0.      0.         0    0.      0.         0
_  ILE    77         3    0.13    0.24       0    0.      0.         0    0.      0.        12
_  VAL    78         1    0.13    0.13       0    0.      0.         0    0.      0.         6
_  GLU    79         0    0.      0.         0    0.      0.         0    0.      0.        12
_  LYS    80         0    0.      0.         0    0.      0.         0    0.      0.         7
_  GLY    81         2    1.30    1.38       0    0.      0.         1    1.30    1.30      21
_  THR    82         1    0.11    0.11       0    0.      0.         0    0.      0.         7
_  LYS    83         0    0.      0.         0    0.      0.         0    0.      0.         6
_  LYS    84         0    0.      0.         0    0.      0.         0    0.      0.         4
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_per_RANGE_TYPE_for_ALL_STRUCTURES
$ TABLE #RECORDS 5 #ITEMS 19
Type        NumUPPv MaxUPPv TotUPPv Av1UPPv sd1UPPv Av2UPPv sd2UPPv NumLOWv MaxLOWv TotLOWv Av1LOWv sd1LOWv Av2LOWv sd2LOWv NumBIGv MaxBIGv TotBIGv  NRestr
     intra        2    0.01    0.01    0.      0.      0.      0.         0    0.      0.      0.      0.      0.      0.         0    0.      0.      1330
sequential       66    1.59   27.50    0.42    0.42    0.02    0.11       0    0.      0.      0.      0.      0.      0.        27    1.59   22.36    1730
    medium       26    0.41    6.20    0.24    0.11    0.02    0.07       0    0.      0.      0.      0.      0.      0.         1    0.41    0.41     330
      long      272    3.32  182.77    0.67    0.67    0.14    0.41       0    0.      0.      0.      0.      0.      0.       141    3.32  161.86    1330
     inter        0    0.      0.      0.      0.      0.      0.         0    0.      0.      0.      0.      0.      0.         0    0.      0.         0
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_per_RANGE_TYPE_for_STRUCTURE_Str_01
$ TABLE #RECORDS 5 #ITEMS 19
Type        NumUPPv MaxUPPv TotUPPv Av1UPPv sd1UPPv Av2UPPv sd2UPPv NumLOWv MaxLOWv TotLOWv Av1LOWv sd1LOWv Av2LOWv sd2LOWv NumBIGv MaxBIGv TotBIGv  NRestr
     intra        0    0.      0.      0.      0.      0.      0.         0    0.      0.      0.      0.      0.      0.         0    0.      0.       133
sequential        6    1.55    2.82    0.47    0.53    0.02    0.13       0    0.      0.      0.      0.      0.      0.         2    1.55    2.23     173
    medium        3    0.36    0.75    0.25    0.07    0.02    0.08       0    0.      0.      0.      0.      0.      0.         0    0.      0.        33
      long       30    3.18   19.68    0.66    0.68    0.15    0.42       0    0.      0.      0.      0.      0.      0.        17    3.18   18.14     133
     inter        0    0.      0.      0.      0.      0.      0.         0    0.      0.      0.      0.      0.      0.         0    0.      0.         0
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_per_RANGE_TYPE_for_STRUCTURE_Str_02
$ TABLE #RECORDS 5 #ITEMS 19
Type        NumUPPv MaxUPPv TotUPPv Av1UPPv sd1UPPv Av2UPPv sd2UPPv NumLOWv MaxLOWv TotLOWv Av1LOWv sd1LOWv Av2LOWv sd2LOWv NumBIGv MaxBIGv TotBIGv  NRestr
     intra        0    0.      0.      0.      0.      0.      0.         0    0.      0.      0.      0.      0.      0.         0    0.      0.       133
sequential        6    1.57    2.64    0.44    0.55    0.02    0.13       0    0.      0.      0.      0.      0.      0.         2    1.57    2.25     173
    medium        3    0.32    0.66    0.22    0.08    0.02    0.07       0    0.      0.      0.      0.      0.      0.         0    0.      0.        33
      long       22    3.02   15.03    0.68    0.68    0.11    0.38       0    0.      0.      0.      0.      0.      0.        12    3.02   13.20     133
     inter        0    0.      0.      0.      0.      0.      0.         0    0.      0.      0.      0.      0.      0.         0    0.      0.         0
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_per_RANGE_TYPE_for_STRUCTURE_Str_03
$ TABLE #RECORDS 5 #ITEMS 19
Type        NumUPPv MaxUPPv TotUPPv Av1UPPv sd1UPPv Av2UPPv sd2UPPv NumLOWv MaxLOWv TotLOWv Av1LOWv sd1LOWv Av2LOWv sd2LOWv NumBIGv MaxBIGv TotBIGv  NRestr
     intra        0    0.      0.      0.      0.      0.      0.         0    0.      0.      0.      0.      0.      0.         0    0.      0.       133
sequential        6    1.57    2.61    0.44    0.55    0.02    0.13       0    0.      0.      0.      0.      0.      0.         2    1.57    2.23     173
    medium        1    0.41    0.41    0.41    0.      0.01    0.07       0    0.      0.      0.      0.      0.      0.         1    0.41    0.41      33
      long       25    3.32   17.32    0.69    0.76    0.13    0.43       0    0.      0.      0.      0.      0.      0.        12    3.32   15.04     133
     inter        0    0.      0.      0.      0.      0.      0.         0    0.      0.      0.      0.      0.      0.         0    0.      0.         0
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_per_RANGE_TYPE_for_STRUCTURE_Str_04
$ TABLE #RECORDS 5 #ITEMS 19
Type        NumUPPv MaxUPPv TotUPPv Av1UPPv sd1UPPv Av2UPPv sd2UPPv NumLOWv MaxLOWv TotLOWv Av1LOWv sd1LOWv Av2LOWv sd2LOWv NumBIGv MaxBIGv TotBIGv  NRestr
     intra        0    0.      0.      0.      0.      0.      0.         0    0.      0.      0.      0.      0.      0.         0    0.      0.       133
sequential        8    1.59    3.63    0.45    0.47    0.02    0.14       0    0.      0.      0.      0.      0.      0.         3    1.59    2.76     173
    medium        3    0.35    0.83    0.28    0.10    0.03    0.08       0    0.      0.      0.      0.      0.      0.         0    0.      0.        33
      long       26    3.00   19.37    0.75    0.69    0.15    0.42       0    0.      0.      0.      0.      0.      0.        15    3.00   17.48     133
     inter        0    0.      0.      0.      0.      0.      0.         0    0.      0.      0.      0.      0.      0.         0    0.      0.         0
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_per_RANGE_TYPE_for_STRUCTURE_Str_05
$ TABLE #RECORDS 5 #ITEMS 19
Type        NumUPPv MaxUPPv TotUPPv Av1UPPv sd1UPPv Av2UPPv sd2UPPv NumLOWv MaxLOWv TotLOWv Av1LOWv sd1LOWv Av2LOWv sd2LOWv NumBIGv MaxBIGv TotBIGv  NRestr
     intra        0    0.      0.      0.      0.      0.      0.         0    0.      0.      0.      0.      0.      0.         0    0.      0.       133
sequential        6    1.53    2.76    0.46    0.53    0.02    0.13       0    0.      0.      0.      0.      0.      0.         2    1.53    2.21     173
    medium        3    0.32    0.94    0.31    0.01    0.03    0.09       0    0.      0.      0.      0.      0.      0.         0    0.      0.        33
      long       29    3.02   20.58    0.71    0.68    0.15    0.43       0    0.      0.      0.      0.      0.      0.        16    3.02   18.75     133
     inter        0    0.      0.      0.      0.      0.      0.         0    0.      0.      0.      0.      0.      0.         0    0.      0.         0
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_per_RANGE_TYPE_for_STRUCTURE_Str_06
$ TABLE #RECORDS 5 #ITEMS 19
Type        NumUPPv MaxUPPv TotUPPv Av1UPPv sd1UPPv Av2UPPv sd2UPPv NumLOWv MaxLOWv TotLOWv Av1LOWv sd1LOWv Av2LOWv sd2LOWv NumBIGv MaxBIGv TotBIGv  NRestr
     intra        1    0.01    0.01    0.01    0.      0.      0.         0    0.      0.      0.      0.      0.      0.         0    0.      0.       133
sequential        7    0.89    2.53    0.36    0.32    0.01    0.10       0    0.      0.      0.      0.      0.      0.         3    0.89    2.09     173
    medium        3    0.31    0.65    0.22    0.07    0.02    0.07       0    0.      0.      0.      0.      0.      0.         0    0.      0.        33
      long       26    2.96   19.23    0.74    0.70    0.14    0.43       0    0.      0.      0.      0.      0.      0.        14    2.96   17.19     133
     inter        0    0.      0.      0.      0.      0.      0.         0    0.      0.      0.      0.      0.      0.         0    0.      0.         0
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_per_RANGE_TYPE_for_STRUCTURE_Str_07
$ TABLE #RECORDS 5 #ITEMS 19
Type        NumUPPv MaxUPPv TotUPPv Av1UPPv sd1UPPv Av2UPPv sd2UPPv NumLOWv MaxLOWv TotLOWv Av1LOWv sd1LOWv Av2LOWv sd2LOWv NumBIGv MaxBIGv TotBIGv  NRestr
     intra        0    0.      0.      0.      0.      0.      0.         0    0.      0.      0.      0.      0.      0.         0    0.      0.       133
sequential        6    0.82    2.54    0.42    0.27    0.01    0.09       0    0.      0.      0.      0.      0.      0.         3    0.82    1.97     173
    medium        3    0.37    0.52    0.17    0.15    0.02    0.07       0    0.      0.      0.      0.      0.      0.         0    0.      0.        33
      long       32    3.01   21.15    0.66    0.69    0.16    0.44       0    0.      0.      0.      0.      0.      0.        15    3.01   18.47     133
     inter        0    0.      0.      0.      0.      0.      0.         0    0.      0.      0.      0.      0.      0.         0    0.      0.         0
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_per_RANGE_TYPE_for_STRUCTURE_Str_08
$ TABLE #RECORDS 5 #ITEMS 19
Type        NumUPPv MaxUPPv TotUPPv Av1UPPv sd1UPPv Av2UPPv sd2UPPv NumLOWv MaxLOWv TotLOWv Av1LOWv sd1LOWv Av2LOWv sd2LOWv NumBIGv MaxBIGv TotBIGv  NRestr
     intra        0    0.      0.      0.      0.      0.      0.         0    0.      0.      0.      0.      0.      0.         0    0.      0.       133
sequential        8    0.79    2.42    0.30    0.31    0.01    0.09       0    0.      0.      0.      0.      0.      0.         3    0.79    2.07     173
    medium        3    0.30    0.41    0.14    0.12    0.01    0.05       0    0.      0.      0.      0.      0.      0.         0    0.      0.        33
      long       27    2.98   18.19    0.67    0.66    0.14    0.40       0    0.      0.      0.      0.      0.      0.        14    2.98   16.11     133
     inter        0    0.      0.      0.      0.      0.      0.         0    0.      0.      0.      0.      0.      0.         0    0.      0.         0
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_per_RANGE_TYPE_for_STRUCTURE_Str_09
$ TABLE #RECORDS 5 #ITEMS 19
Type        NumUPPv MaxUPPv TotUPPv Av1UPPv sd1UPPv Av2UPPv sd2UPPv NumLOWv MaxLOWv TotLOWv Av1LOWv sd1LOWv Av2LOWv sd2LOWv NumBIGv MaxBIGv TotBIGv  NRestr
     intra        1    0.      0.      0.      0.      0.      0.         0    0.      0.      0.      0.      0.      0.         0    0.      0.       133
sequential        8    0.86    3.33    0.42    0.26    0.02    0.10       0    0.      0.      0.      0.      0.      0.         4    0.86    2.50     173
    medium        3    0.34    0.76    0.25    0.07    0.02    0.08       0    0.      0.      0.      0.      0.      0.         0    0.      0.        33
      long       27    1.76   16.07    0.60    0.50    0.12    0.33       0    0.      0.      0.      0.      0.      0.        13    1.76   13.14     133
     inter        0    0.      0.      0.      0.      0.      0.         0    0.      0.      0.      0.      0.      0.         0    0.      0.         0
$ END

$ DATA  RESTRAINT_VIOLATION_SUMMARY_per_RANGE_TYPE_for_STRUCTURE_Str_10
$ TABLE #RECORDS 5 #ITEMS 19
Type        NumUPPv MaxUPPv TotUPPv Av1UPPv sd1UPPv Av2UPPv sd2UPPv NumLOWv MaxLOWv TotLOWv Av1LOWv sd1LOWv Av2LOWv sd2LOWv NumBIGv MaxBIGv TotBIGv  NRestr
     intra        0    0.      0.      0.      0.      0.      0.         0    0.      0.      0.      0.      0.      0.         0    0.      0.       133
sequential        5    0.87    2.21    0.44    0.32    0.01    0.09       0    0.      0.      0.      0.      0.      0.         3    0.87    2.05     173
    medium        1    0.28    0.28    0.28    0.      0.01    0.05       0    0.      0.      0.      0.      0.      0.         0    0.      0.        33
      long       28    2.88   16.15    0.58    0.66    0.12    0.38       0    0.      0.      0.      0.      0.      0.        13    2.88   14.34     133
     inter        0    0.      0.      0.      0.      0.      0.         0    0.      0.      0.      0.      0.      0.         0    0.      0.         0
$ END
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1          1HN       GLY   1  -0.334  -0.943  -0.000
    2    H2   GLY   1          2HN       GLY   1  -0.334   0.471   0.816
    3    H3   GLY   1          3HN       GLY   1  -0.334   0.471  -0.816
    4    HA2  GLY   1           HA1      GLY   1   1.822  -0.535   0.877
    5    HA3  GLY   1           HA2      GLY   1   1.822  -0.535  -0.876
    6    H    SER   2           HN       SER   2   1.870   1.487   2.017
    7    HA   SER   2           HA       SER   2   2.118   4.013   0.684
    8    HB2  SER   2           HB1      SER   2   1.492   3.893   3.022
    9    HB3  SER   2           HB2      SER   2   2.992   3.077   3.434
   10    HG   SER   2           HG       SER   2   3.298   5.149   3.897
   11    H    HIS   3           HN       HIS   3   3.765   4.996  -0.271
   12    HA   HIS   3           HA       HIS   3   6.279   3.446  -0.536
   13    HB2  HIS   3           HB1      HIS   3   5.271   5.899  -2.025
   14    HB3  HIS   3           HB2      HIS   3   6.770   5.049  -2.370
   15    HD2  HIS   3           HD2      HIS   3   3.155   4.984  -3.478
   16    HE1  HIS   3           HE1      HIS   3   4.784   1.194  -4.549
   17    HE2  HIS   3           HE2      HIS   3   2.820   2.794  -4.844
   18    H    ASN   4           HN       ASN   4   6.789   3.979   1.760
   19    HA   ASN   4           HA       ASN   4   8.709   6.167   1.752
   20    HB2  ASN   4           HB1      ASN   4   6.233   6.989   2.461
   21    HB3  ASN   4           HB2      ASN   4   6.792   6.401   4.021
   22   HD21  ASN   4          HD21      ASN   4   7.704  10.032   3.251
   23   HD22  ASN   4          HD22      ASN   4   6.260   9.135   2.917
   24    H    LYS   5           HN       LYS   5   9.529   6.426   4.186
   25    HA   LYS   5           HA       LYS   5  10.668   3.883   4.864
   26    HB2  LYS   5           HB1      LYS   5  11.771   6.063   5.332
   27    HB3  LYS   5           HB2      LYS   5  10.524   6.440   6.513
   28    HG2  LYS   5           HG1      LYS   5  11.230   4.548   7.903
   29    HG3  LYS   5           HG2      LYS   5  12.448   4.103   6.699
   30    HD2  LYS   5           HD1      LYS   5  13.562   6.289   7.011
   31    HD3  LYS   5           HD2      LYS   5  12.341   6.741   8.210
   32    HE2  LYS   5           HE1      LYS   5  13.030   4.834   9.629
   33    HE3  LYS   5           HE2      LYS   5  14.248   4.382   8.434
   34    HZ1  LYS   5           HZ1      LYS   5  15.189   5.664  10.212
   35    HZ2  LYS   5           HZ2      LYS   5  15.308   6.505   8.797
   36    HZ3  LYS   5           HZ3      LYS   5  14.170   6.926   9.914
   37    HA   PRO   6           HA       PRO   6   7.317   2.089   7.050
   38    HB2  PRO   6           HB1      PRO   6   9.648   0.559   8.269
   39    HB3  PRO   6           HB2      PRO   6   8.118  -0.065   7.639
   40    HG2  PRO   6           HG1      PRO   6  10.287  -0.295   6.119
   41    HG3  PRO   6           HG2      PRO   6   8.775   0.221   5.366
   42    HD2  PRO   6           HD1      PRO   6  11.158   1.904   6.235
   43    HD3  PRO   6           HD2      PRO   6  10.167   2.023   4.725
   44    H    GLU   7           HN       GLU   7   6.375   2.697   8.923
   45    HA   GLU   7           HA       GLU   7   8.010   3.135  11.333
   46    HB2  GLU   7           HB1      GLU   7   8.012   5.352  10.206
   47    HB3  GLU   7           HB2      GLU   7   6.254   5.339  10.176
   48    HG2  GLU   7           HG1      GLU   7   6.200   5.336  12.631
   49    HG3  GLU   7           HG2      GLU   7   7.962   5.322  12.674
   50    H    LEU   8           HN       LEU   8   7.020   2.376  13.063
   51    HA   LEU   8           HA       LEU   8   4.226   1.474  12.735
   52    HB2  LEU   8           HB1      LEU   8   6.480   0.827  14.627
   53    HB3  LEU   8           HB2      LEU   8   4.816   0.442  15.081
   54    HG   LEU   8           HG       LEU   8   4.621  -0.940  12.999
   55   HD11  LEU   8          HD11      LEU   8   6.682  -1.522  11.799
   56   HD12  LEU   8          HD12      LEU   8   6.314   0.214  11.671
   57   HD13  LEU   8          HD13      LEU   8   7.586  -0.347  12.783
   58   HD21  LEU   8          HD21      LEU   8   6.021  -2.783  13.866
   59   HD22  LEU   8          HD22      LEU   8   6.917  -1.627  14.880
   60   HD23  LEU   8          HD23      LEU   8   5.191  -1.932  15.191
   61    H    LEU   9           HN       LEU   9   2.613   2.700  13.374
   62    HA   LEU   9           HA       LEU   9   3.082   4.540  15.682
   63    HB2  LEU   9           HB1      LEU   9   1.084   4.810  13.408
   64    HB3  LEU   9           HB2      LEU   9   1.304   5.952  14.736
   65    HG   LEU   9           HG       LEU   9   3.383   5.317  12.613
   66   HD11  LEU   9          HD11      LEU   9   2.852   7.560  11.770
   67   HD12  LEU   9          HD12      LEU   9   1.440   6.480  11.700
   68   HD13  LEU   9          HD13      LEU   9   1.557   7.708  12.982
   69   HD21  LEU   9          HD21      LEU   9   4.556   7.261  13.589
   70   HD22  LEU   9          HD22      LEU   9   3.285   7.406  14.827
   71   HD23  LEU   9          HD23      LEU   9   4.338   5.972  14.797
   72    H    TYR  10           HN       TYR  10   1.560   4.704  17.297
   73    HA   TYR  10           HA       TYR  10  -0.650   2.698  17.205
   74    HB2  TYR  10           HB1      TYR  10   1.149   3.287  19.593
   75    HB3  TYR  10           HB2      TYR  10  -0.239   2.208  19.598
   76    HD1  TYR  10           HD1      TYR  10   3.261   2.608  18.723
   77    HD2  TYR  10           HD2      TYR  10  -0.187   0.090  18.297
   78    HE1  TYR  10           HE1      TYR  10   4.715   0.732  18.033
   79    HE2  TYR  10           HE2      TYR  10   1.268  -1.785  17.607
   80    HH   TYR  10           HH       TYR  10   3.342  -2.459  17.221
   81    H    ARG  11           HN       ARG  11  -2.019   4.429  16.586
   82    HA   ARG  11           HA       ARG  11  -2.241   6.730  18.398
   83    HB2  ARG  11           HB1      ARG  11  -2.447   7.102  15.996
   84    HB3  ARG  11           HB2      ARG  11  -3.773   5.955  15.893
   85    HG2  ARG  11           HG1      ARG  11  -5.158   7.433  17.303
   86    HG3  ARG  11           HG2      ARG  11  -3.816   8.602  17.365
   87    HD2  ARG  11           HD1      ARG  11  -3.915   8.923  15.006
   88    HD3  ARG  11           HD2      ARG  11  -5.121   7.627  14.836
   89    HE   ARG  11           HE       ARG  11  -6.183   9.483  16.631
   90   HH11  ARG  11          HH11      ARG  11  -5.161   9.402  13.271
   91   HH12  ARG  11          HH12      ARG  11  -6.301  10.628  12.764
   92   HH21  ARG  11          HH21      ARG  11  -7.659  11.073  15.961
   93   HH22  ARG  11          HH22      ARG  11  -7.715  11.575  14.285
   94    H    GLU  12           HN       GLU  12  -3.263   6.467  20.261
   95    HA   GLU  12           HA       GLU  12  -5.557   4.602  20.412
   96    HB2  GLU  12           HB1      GLU  12  -4.036   6.148  22.549
   97    HB3  GLU  12           HB2      GLU  12  -5.419   5.114  22.881
   98    HG2  GLU  12           HG1      GLU  12  -4.183   3.179  21.977
   99    HG3  GLU  12           HG2      GLU  12  -2.794   4.220  21.670
  100    H    GLU  13           HN       GLU  13  -7.625   5.168  20.792
  101    HA   GLU  13           HA       GLU  13  -8.212   8.074  21.098
  102    HB2  GLU  13           HB1      GLU  13  -9.457   6.165  19.081
  103    HB3  GLU  13           HB2      GLU  13 -10.137   7.735  19.484
  104    HG2  GLU  13           HG1      GLU  13  -7.335   7.369  18.414
  105    HG3  GLU  13           HG2      GLU  13  -8.746   7.624  17.390
  106    H    THR  14           HN       THR  14 -10.106   8.599  22.167
  107    HA   THR  14           HA       THR  14 -11.374   6.301  23.597
  108    HB   THR  14           HB       THR  14 -11.030   9.184  24.530
  109    HG1  THR  14           HG1      THR  14  -9.678   8.112  26.101
  110   HG21  THR  14          HG21      THR  14 -11.979   8.366  26.651
  111   HG22  THR  14          HG22      THR  14 -13.143   8.175  25.318
  112   HG23  THR  14          HG23      THR  14 -12.242   6.765  25.921
  113    H    ILE  15           HN       ILE  15 -13.395   5.878  23.125
  114    HA   ILE  15           HA       ILE  15 -15.019   8.020  21.841
  115    HB   ILE  15           HB       ILE  15 -15.405   4.996  21.876
  116   HG12  ILE  15          HG11      ILE  15 -14.695   6.804  19.559
  117   HG13  ILE  15          HG12      ILE  15 -13.507   5.914  20.499
  118   HG21  ILE  15          HG21      ILE  15 -17.220   5.428  20.270
  119   HG22  ILE  15          HG22      ILE  15 -17.555   6.202  21.836
  120   HG23  ILE  15          HG23      ILE  15 -16.982   7.181  20.466
  121   HD11  ILE  15          HD11      ILE  15 -14.070   4.732  18.451
  122   HD12  ILE  15          HD12      ILE  15 -14.582   3.795  19.875
  123   HD13  ILE  15          HD13      ILE  15 -15.785   4.697  18.922
  124    H    GLU  16           HN       GLU  16 -16.552   8.995  22.941
  125    HA   GLU  16           HA       GLU  16 -17.682   7.578  25.319
  126    HB2  GLU  16           HB1      GLU  16 -17.058  10.545  25.028
  127    HB3  GLU  16           HB2      GLU  16 -17.901   9.824  26.391
  128    HG2  GLU  16           HG1      GLU  16 -15.894   8.467  26.896
  129    HG3  GLU  16           HG2      GLU  16 -15.053   9.241  25.554
  130    H    THR  17           HN       THR  17 -19.709   7.056  24.965
  131    HA   THR  17           HA       THR  17 -21.395   8.976  23.412
  132    HB   THR  17           HB       THR  17 -21.699   5.955  23.699
  133    HG1  THR  17           HG1      THR  17 -20.998   7.639  21.498
  134   HG21  THR  17          HG21      THR  17 -23.556   6.218  22.101
  135   HG22  THR  17          HG22      THR  17 -23.879   7.114  23.605
  136   HG23  THR  17          HG23      THR  17 -23.351   7.984  22.146
  137    H    LYS  18           HN       LYS  18 -22.881  10.021  24.499
  138    HA   LYS  18           HA       LYS  18 -23.424   9.449  27.267
  139    HB2  LYS  18           HB1      LYS  18 -24.808  11.275  25.265
  140    HB3  LYS  18           HB2      LYS  18 -25.225  11.205  26.972
  141    HG2  LYS  18           HG1      LYS  18 -22.928  11.911  27.560
  142    HG3  LYS  18           HG2      LYS  18 -22.526  12.000  25.839
  143    HD2  LYS  18           HD1      LYS  18 -24.309  13.695  25.518
  144    HD3  LYS  18           HD2      LYS  18 -24.686  13.615  27.245
  145    HE2  LYS  18           HE1      LYS  18 -22.409  14.379  27.793
  146    HE3  LYS  18           HE2      LYS  18 -21.997  14.424  26.077
  147    HZ1  LYS  18           HZ1      LYS  18 -22.586  16.584  26.899
  148    HZ2  LYS  18           HZ2      LYS  18 -23.690  16.097  25.774
  149    HZ3  LYS  18           HZ3      LYS  18 -24.074  16.057  27.377
  150    H    ILE  19           HN       ILE  19 -25.087   8.472  28.273
  151    HA   ILE  19           HA       ILE  19 -26.823   6.822  26.497
  152    HB   ILE  19           HB       ILE  19 -26.072   6.360  29.416
  153   HG12  ILE  19          HG11      ILE  19 -24.119   6.135  28.000
  154   HG13  ILE  19          HG12      ILE  19 -24.646   4.563  28.579
  155   HG21  ILE  19          HG21      ILE  19 -27.048   4.131  29.044
  156   HG22  ILE  19          HG22      ILE  19 -28.257   5.410  28.786
  157   HG23  ILE  19          HG23      ILE  19 -27.505   4.603  27.390
  158   HD11  ILE  19          HD11      ILE  19 -23.981   4.460  26.242
  159   HD12  ILE  19          HD12      ILE  19 -25.718   4.111  26.415
  160   HD13  ILE  19          HD13      ILE  19 -25.184   5.703  25.828
  161    H    ASP  20           HN       ASP  20 -28.889   7.284  26.356
  162    HA   ASP  20           HA       ASP  20 -30.072   9.379  27.939
  163    HB2  ASP  20           HB1      ASP  20 -31.253   7.357  25.999
  164    HB3  ASP  20           HB2      ASP  20 -32.212   8.604  26.784
  165    H    PHE  21           HN       PHE  21 -31.977   9.220  29.266
  166    HA   PHE  21           HA       PHE  21 -32.179   6.598  30.684
  167    HB2  PHE  21           HB1      PHE  21 -32.417   7.791  32.805
  168    HB3  PHE  21           HB2      PHE  21 -30.888   8.209  32.049
  169    HD1  PHE  21           HD1      PHE  21 -34.256   9.411  32.900
  170    HD2  PHE  21           HD2      PHE  21 -30.449  10.437  31.254
  171    HE1  PHE  21           HE1      PHE  21 -34.828  11.810  33.075
  172    HE2  PHE  21           HE2      PHE  21 -31.017  12.837  31.430
  173    HZ   PHE  21           HZ       PHE  21 -33.209  13.523  32.340
  174    H    GLN  22           HN       GLN  22 -34.193   6.332  31.921
  175    HA   GLN  22           HA       GLN  22 -36.433   7.360  30.265
  176    HB2  GLN  22           HB1      GLN  22 -36.337   5.056  32.255
  177    HB3  GLN  22           HB2      GLN  22 -37.730   5.498  31.279
  178    HG2  GLN  22           HG1      GLN  22 -35.057   4.601  30.182
  179    HG3  GLN  22           HG2      GLN  22 -36.509   3.578  30.371
  180   HE21  GLN  22          HE21      GLN  22 -35.970   5.522  26.977
  181   HE22  GLN  22          HE22      GLN  22 -34.742   5.083  28.118
  182    H    GLU  23           HN       GLU  23 -38.495   7.836  31.328
  183    HA   GLU  23           HA       GLU  23 -38.084   9.026  34.038
  184    HB2  GLU  23           HB1      GLU  23 -38.095  10.797  32.298
  185    HB3  GLU  23           HB2      GLU  23 -39.657  10.230  31.724
  186    HG2  GLU  23           HG1      GLU  23 -40.688  10.814  33.858
  187    HG3  GLU  23           HG2      GLU  23 -39.123  11.312  34.499
  188    H    GLU  24           HN       GLU  24 -39.653   8.738  35.514
  189    HA   GLU  24           HA       GLU  24 -42.260   7.645  34.631
  190    HB2  GLU  24           HB1      GLU  24 -40.840   5.662  35.068
  191    HB3  GLU  24           HB2      GLU  24 -40.473   6.268  36.677
  192    HG2  GLU  24           HG1      GLU  24 -42.815   6.060  37.326
  193    HG3  GLU  24           HG2      GLU  24 -43.241   5.537  35.698
  194    H    ILE  25           HN       ILE  25 -43.919   8.417  35.751
  195    HA   ILE  25           HA       ILE  25 -43.299   9.835  38.307
  196    HB   ILE  25           HB       ILE  25 -45.540  10.337  36.302
  197   HG12  ILE  25          HG11      ILE  25 -43.218  12.109  37.091
  198   HG13  ILE  25          HG12      ILE  25 -43.243  11.097  35.655
  199   HG21  ILE  25          HG21      ILE  25 -46.128  12.233  37.758
  200   HG22  ILE  25          HG22      ILE  25 -46.291  10.688  38.624
  201   HG23  ILE  25          HG23      ILE  25 -44.881  11.731  38.924
  202   HD11  ILE  25          HD11      ILE  25 -43.833  13.394  35.119
  203   HD12  ILE  25          HD12      ILE  25 -45.211  12.308  34.820
  204   HD13  ILE  25          HD13      ILE  25 -45.186  13.334  36.273
  205    H    GLN  26           HN       GLN  26 -44.138   9.095  40.122
  206    HA   GLN  26           HA       GLN  26 -46.371   7.119  39.901
  207    HB2  GLN  26           HB1      GLN  26 -44.004   7.080  41.818
  208    HB3  GLN  26           HB2      GLN  26 -45.366   5.971  41.879
  209    HG2  GLN  26           HG1      GLN  26 -44.790   5.131  39.641
  210    HG3  GLN  26           HG2      GLN  26 -43.391   6.241  39.605
  211   HE21  GLN  26          HE21      GLN  26 -42.270   2.840  40.658
  212   HE22  GLN  26          HE22      GLN  26 -43.103   3.484  39.282
  213    H    GLU  27           HN       GLU  27 -47.834   6.987  41.647
  214    HA   GLU  27           HA       GLU  27 -48.270   9.623  42.890
  215    HB2  GLU  27           HB1      GLU  27 -49.958   7.090  42.822
  216    HB3  GLU  27           HB2      GLU  27 -50.445   8.578  43.622
  217    HG2  GLU  27           HG1      GLU  27 -50.427   9.770  41.499
  218    HG3  GLU  27           HG2      GLU  27 -49.830   8.335  40.669
  219    H    ASN  28           HN       ASN  28 -48.473  10.021  45.074
  220    HA   ASN  28           HA       ASN  28 -47.669   7.824  46.913
  221    HB2  ASN  28           HB1      ASN  28 -45.653   9.191  46.292
  222    HB3  ASN  28           HB2      ASN  28 -46.449  10.602  46.977
  223   HD21  ASN  28          HD21      ASN  28 -44.228   9.245  49.561
  224   HD22  ASN  28          HD22      ASN  28 -44.071   9.937  47.981
  225    HA   PRO  29           HA       PRO  29 -51.423   9.622  48.493
  226    HB2  PRO  29           HB1      PRO  29 -51.033   7.244  50.345
  227    HB3  PRO  29           HB2      PRO  29 -52.503   7.785  49.525
  228    HG2  PRO  29           HG1      PRO  29 -51.192   5.697  48.520
  229    HG3  PRO  29           HG2      PRO  29 -51.812   6.927  47.415
  230    HD2  PRO  29           HD1      PRO  29 -48.980   6.545  48.465
  231    HD3  PRO  29           HD2      PRO  29 -49.530   6.944  46.788
  232    H    ASP  30           HN       ASP  30 -48.433   8.771  50.097
  233    HA   ASP  30           HA       ASP  30 -49.126   9.766  52.718
  234    HB2  ASP  30           HB1      ASP  30 -46.454   9.183  51.386
  235    HB3  ASP  30           HB2      ASP  30 -46.603   9.711  53.056
  236    H    LEU  31           HN       LEU  31 -48.152  11.254  49.762
  237    HA   LEU  31           HA       LEU  31 -47.435  13.769  51.161
  238    HB2  LEU  31           HB1      LEU  31 -47.412  13.045  48.209
  239    HB3  LEU  31           HB2      LEU  31 -46.875  14.586  48.885
  240    HG   LEU  31           HG       LEU  31 -45.595  11.886  49.441
  241   HD11  LEU  31          HD11      LEU  31 -43.771  12.739  48.038
  242   HD12  LEU  31          HD12      LEU  31 -45.294  12.608  47.128
  243   HD13  LEU  31          HD13      LEU  31 -44.724  14.199  47.687
  244   HD21  LEU  31          HD21      LEU  31 -43.830  13.259  50.493
  245   HD22  LEU  31          HD22      LEU  31 -44.784  14.729  50.177
  246   HD23  LEU  31          HD23      LEU  31 -45.396  13.497  51.306
  247    H    ALA  32           HN       ALA  32 -48.495  15.729  50.783
  248    HA   ALA  32           HA       ALA  32 -51.335  15.566  50.619
  249    HB1  ALA  32           HB1      ALA  32 -51.260  18.037  50.543
  250    HB2  ALA  32           HB2      ALA  32 -50.180  17.383  51.796
  251    HB3  ALA  32           HB3      ALA  32 -49.506  17.967  50.257
  252    H    GLU  33           HN       GLU  33 -52.806  16.084  49.050
  253    HA   GLU  33           HA       GLU  33 -52.222  15.135  46.480
  254    HB2  GLU  33           HB1      GLU  33 -54.512  15.361  47.459
  255    HB3  GLU  33           HB2      GLU  33 -54.416  17.104  47.247
  256    HG2  GLU  33           HG1      GLU  33 -54.238  16.809  44.815
  257    HG3  GLU  33           HG2      GLU  33 -54.308  15.059  45.018
  258    H    GLY  34           HN       GLY  34 -51.047  15.891  44.884
  259    HA2  GLY  34           HA1      GLY  34 -50.767  17.553  43.144
  260    HA3  GLY  34           HA2      GLY  34 -51.155  18.814  44.300
  261    H    THR  35           HN       THR  35 -49.307  16.975  46.156
  262    HA   THR  35           HA       THR  35 -47.032  18.706  45.994
  263    HB   THR  35           HB       THR  35 -47.346  16.013  47.389
  264    HG1  THR  35           HG1      THR  35 -48.772  17.646  48.137
  265   HG21  THR  35          HG21      THR  35 -45.433  16.749  48.755
  266   HG22  THR  35          HG22      THR  35 -44.975  16.614  47.040
  267   HG23  THR  35          HG23      THR  35 -45.278  18.213  47.758
  268    H    VAL  36           HN       VAL  36 -45.219  18.637  44.869
  269    HA   VAL  36           HA       VAL  36 -44.662  16.149  43.310
  270    HB   VAL  36           HB       VAL  36 -43.794  19.021  42.765
  271   HG11  VAL  36          HG11      VAL  36 -42.940  18.149  40.644
  272   HG12  VAL  36          HG12      VAL  36 -42.112  17.427  42.044
  273   HG13  VAL  36          HG13      VAL  36 -43.346  16.496  41.162
  274   HG21  VAL  36          HG21      VAL  36 -45.317  18.837  40.823
  275   HG22  VAL  36          HG22      VAL  36 -45.795  17.207  41.355
  276   HG23  VAL  36          HG23      VAL  36 -46.198  18.624  42.354
  277    H    ARG  37           HN       ARG  37 -43.009  14.968  43.949
  278    HA   ARG  37           HA       ARG  37 -40.640  16.338  45.110
  279    HB2  ARG  37           HB1      ARG  37 -42.046  15.525  46.993
  280    HB3  ARG  37           HB2      ARG  37 -41.972  13.897  46.337
  281    HG2  ARG  37           HG1      ARG  37 -39.594  13.775  46.733
  282    HG3  ARG  37           HG2      ARG  37 -39.552  15.485  47.228
  283    HD2  ARG  37           HD1      ARG  37 -39.539  14.194  49.190
  284    HD3  ARG  37           HD2      ARG  37 -41.173  14.879  49.037
  285    HE   ARG  37           HE       ARG  37 -41.271  12.389  47.810
  286   HH11  ARG  37          HH11      ARG  37 -40.541  13.645  51.009
  287   HH12  ARG  37          HH12      ARG  37 -41.103  12.211  51.837
  288   HH21  ARG  37          HH21      ARG  37 -41.998  10.533  48.897
  289   HH22  ARG  37          HH22      ARG  37 -41.929  10.448  50.643
  290    H    VAL  38           HN       VAL  38 -38.908  15.778  44.010
  291    HA   VAL  38           HA       VAL  38 -38.961  13.550  42.158
  292    HB   VAL  38           HB       VAL  38 -36.669  15.353  43.050
  293   HG11  VAL  38          HG11      VAL  38 -35.535  14.599  41.017
  294   HG12  VAL  38          HG12      VAL  38 -35.835  13.259  42.149
  295   HG13  VAL  38          HG13      VAL  38 -36.859  13.451  40.705
  296   HG21  VAL  38          HG21      VAL  38 -37.109  16.514  40.910
  297   HG22  VAL  38          HG22      VAL  38 -38.483  15.425  40.603
  298   HG23  VAL  38          HG23      VAL  38 -38.536  16.560  41.972
  299    H    LYS  39           HN       LYS  39 -38.519  11.504  42.560
  300    HA   LYS  39           HA       LYS  39 -37.287  10.768  45.131
  301    HB2  LYS  39           HB1      LYS  39 -39.277   9.540  44.316
  302    HB3  LYS  39           HB2      LYS  39 -38.396   9.046  42.877
  303    HG2  LYS  39           HG1      LYS  39 -36.860   7.714  44.208
  304    HG3  LYS  39           HG2      LYS  39 -37.602   8.297  45.705
  305    HD2  LYS  39           HD1      LYS  39 -39.754   7.266  45.036
  306    HD3  LYS  39           HD2      LYS  39 -39.002   6.672  43.548
  307    HE2  LYS  39           HE1      LYS  39 -37.401   5.344  44.882
  308    HE3  LYS  39           HE2      LYS  39 -38.136   5.944  46.371
  309    HZ1  LYS  39           HZ1      LYS  39 -38.970   3.789  45.781
  310    HZ2  LYS  39           HZ2      LYS  39 -40.191   4.896  45.710
  311    HZ3  LYS  39           HZ3      LYS  39 -39.504   4.335  44.319
  312    H    GLN  40           HN       GLN  40 -36.598  10.470  41.654
  313    HA   GLN  40           HA       GLN  40 -33.745  10.046  42.388
  314    HB2  GLN  40           HB1      GLN  40 -34.738   7.836  41.807
  315    HB3  GLN  40           HB2      GLN  40 -35.243   8.477  40.250
  316    HG2  GLN  40           HG1      GLN  40 -32.957   8.780  39.556
  317    HG3  GLN  40           HG2      GLN  40 -32.369   8.321  41.179
  318   HE21  GLN  40          HE21      GLN  40 -32.096   5.422  38.822
  319   HE22  GLN  40          HE22      GLN  40 -31.529   7.060  38.800
  320    H    GLU  41           HN       GLU  41 -32.428  11.402  41.419
  321    HA   GLU  41           HA       GLU  41 -33.489  13.338  39.545
  322    HB2  GLU  41           HB1      GLU  41 -31.738  13.860  41.260
  323    HB3  GLU  41           HB2      GLU  41 -30.604  12.840  40.386
  324    HG2  GLU  41           HG1      GLU  41 -30.731  14.309  38.442
  325    HG3  GLU  41           HG2      GLU  41 -31.938  15.307  39.251
  326    H    GLY  42           HN       GLY  42 -33.384  13.437  37.403
  327    HA2  GLY  42           HA1      GLY  42 -32.545  11.107  35.893
  328    HA3  GLY  42           HA2      GLY  42 -33.149  12.615  35.233
  329    H    LYS  43           HN       LYS  43 -30.542  10.640  35.272
  330    HA   LYS  43           HA       LYS  43 -28.758  12.873  34.452
  331    HB2  LYS  43           HB1      LYS  43 -27.945  10.588  36.293
  332    HB3  LYS  43           HB2      LYS  43 -26.836  11.748  35.576
  333    HG2  LYS  43           HG1      LYS  43 -27.999  13.580  36.788
  334    HG3  LYS  43           HG2      LYS  43 -29.052  12.378  37.547
  335    HD2  LYS  43           HD1      LYS  43 -27.060  11.267  38.528
  336    HD3  LYS  43           HD2      LYS  43 -26.022  12.494  37.788
  337    HE2  LYS  43           HE1      LYS  43 -27.191  14.256  39.077
  338    HE3  LYS  43           HE2      LYS  43 -28.221  13.029  39.820
  339    HZ1  LYS  43           HZ1      LYS  43 -26.392  13.619  41.232
  340    HZ2  LYS  43           HZ2      LYS  43 -26.254  12.040  40.775
  341    HZ3  LYS  43           HZ3      LYS  43 -25.292  13.187  40.082
  342    H    LEU  44           HN       LEU  44 -27.423  12.463  32.764
  343    HA   LEU  44           HA       LEU  44 -28.021  10.100  31.167
  344    HB2  LEU  44           HB1      LEU  44 -26.030  12.363  30.789
  345    HB3  LEU  44           HB2      LEU  44 -26.329  11.088  29.603
  346    HG   LEU  44           HG       LEU  44 -28.439  13.051  30.566
  347   HD11  LEU  44          HD11      LEU  44 -28.097  14.158  28.402
  348   HD12  LEU  44          HD12      LEU  44 -26.629  14.209  29.406
  349   HD13  LEU  44          HD13      LEU  44 -26.742  13.058  28.053
  350   HD21  LEU  44          HD21      LEU  44 -29.666  12.208  28.592
  351   HD22  LEU  44          HD22      LEU  44 -28.334  11.079  28.245
  352   HD23  LEU  44          HD23      LEU  44 -29.298  10.888  29.729
  353    H    GLY  45           HN       GLY  45 -26.694   8.402  30.642
  354    HA2  GLY  45           HA1      GLY  45 -24.379   7.931  32.431
  355    HA3  GLY  45           HA2      GLY  45 -25.132   6.754  31.371
  356    H    LYS  46           HN       LYS  46 -22.847   6.296  30.813
  357    HA   LYS  46           HA       LYS  46 -22.194   7.588  28.298
  358    HB2  LYS  46           HB1      LYS  46 -21.191   9.224  29.862
  359    HB3  LYS  46           HB2      LYS  46 -20.274   7.939  30.636
  360    HG2  LYS  46           HG1      LYS  46 -19.057   7.534  28.524
  361    HG3  LYS  46           HG2      LYS  46 -19.974   8.837  27.755
  362    HD2  LYS  46           HD1      LYS  46 -18.343   9.276  30.273
  363    HD3  LYS  46           HD2      LYS  46 -17.645   9.428  28.654
  364    HE2  LYS  46           HE1      LYS  46 -19.500  11.083  28.123
  365    HE3  LYS  46           HE2      LYS  46 -19.930  11.042  29.835
  366    HZ1  LYS  46           HZ1      LYS  46 -18.464  12.857  29.336
  367    HZ2  LYS  46           HZ2      LYS  46 -17.711  11.796  30.351
  368    HZ3  LYS  46           HZ3      LYS  46 -17.309  11.836  28.751
  369    H    LYS  47           HN       LYS  47 -21.513   6.059  26.995
  370    HA   LYS  47           HA       LYS  47 -20.162   3.683  28.161
  371    HB2  LYS  47           HB1      LYS  47 -22.074   3.297  26.622
  372    HB3  LYS  47           HB2      LYS  47 -21.228   4.166  25.350
  373    HG2  LYS  47           HG1      LYS  47 -19.449   2.464  25.351
  374    HG3  LYS  47           HG2      LYS  47 -20.282   1.594  26.647
  375    HD2  LYS  47           HD1      LYS  47 -22.248   1.281  25.184
  376    HD3  LYS  47           HD2      LYS  47 -21.428   2.165  23.888
  377    HE2  LYS  47           HE1      LYS  47 -19.628   0.457  23.875
  378    HE3  LYS  47           HE2      LYS  47 -20.469  -0.432  25.147
  379    HZ1  LYS  47           HZ1      LYS  47 -20.941  -1.326  22.987
  380    HZ2  LYS  47           HZ2      LYS  47 -22.322  -0.710  23.648
  381    HZ3  LYS  47           HZ3      LYS  47 -21.535   0.119  22.459
  382    H    VAL  48           HN       VAL  48 -18.051   3.625  28.243
  383    HA   VAL  48           HA       VAL  48 -16.529   5.401  26.397
  384    HB   VAL  48           HB       VAL  48 -15.685   4.089  29.017
  385   HG11  VAL  48          HG11      VAL  48 -13.704   5.516  28.858
  386   HG12  VAL  48          HG12      VAL  48 -13.806   4.365  27.505
  387   HG13  VAL  48          HG13      VAL  48 -14.235   6.075  27.255
  388   HG21  VAL  48          HG21      VAL  48 -15.775   6.398  29.902
  389   HG22  VAL  48          HG22      VAL  48 -16.374   6.976  28.329
  390   HG23  VAL  48          HG23      VAL  48 -17.368   5.873  29.311
  391    H    GLU  49           HN       GLU  49 -15.448   4.542  24.771
  392    HA   GLU  49           HA       GLU  49 -14.369   1.778  25.116
  393    HB2  GLU  49           HB1      GLU  49 -16.293   1.736  23.558
  394    HB3  GLU  49           HB2      GLU  49 -15.541   2.984  22.576
  395    HG2  GLU  49           HG1      GLU  49 -13.705   1.487  22.011
  396    HG3  GLU  49           HG2      GLU  49 -14.362   0.242  23.071
  397    H    ILE  50           HN       ILE  50 -12.254   1.899  25.268
  398    HA   ILE  50           HA       ILE  50 -10.834   4.005  23.714
  399    HB   ILE  50           HB       ILE  50  -9.881   2.303  26.057
  400   HG12  ILE  50          HG11      ILE  50 -10.478   5.266  25.972
  401   HG13  ILE  50          HG12      ILE  50 -11.616   4.058  26.547
  402   HG21  ILE  50          HG21      ILE  50  -7.911   3.778  26.035
  403   HG22  ILE  50          HG22      ILE  50  -8.051   2.876  24.509
  404   HG23  ILE  50          HG23      ILE  50  -8.529   4.588  24.576
  405   HD11  ILE  50          HD11      ILE  50 -10.432   5.099  28.398
  406   HD12  ILE  50          HD12      ILE  50 -10.025   3.370  28.288
  407   HD13  ILE  50          HD13      ILE  50  -8.873   4.595  27.707
  408    H    VAL  51           HN       VAL  51  -9.713   3.510  21.972
  409    HA   VAL  51           HA       VAL  51  -9.015   0.636  21.544
  410    HB   VAL  51           HB       VAL  51  -9.582   0.917  19.161
  411   HG11  VAL  51          HG11      VAL  51 -12.016   1.041  19.380
  412   HG12  VAL  51          HG12      VAL  51 -11.281   0.054  20.665
  413   HG13  VAL  51          HG13      VAL  51 -11.834   1.708  21.019
  414   HG21  VAL  51          HG21      VAL  51 -10.769   2.956  18.413
  415   HG22  VAL  51          HG22      VAL  51 -10.541   3.678  20.024
  416   HG23  VAL  51          HG23      VAL  51  -9.131   3.340  18.991
  417    H    ARG  52           HN       ARG  52  -7.248   0.237  20.092
  418    HA   ARG  52           HA       ARG  52  -5.417   2.584  19.811
  419    HB2  ARG  52           HB1      ARG  52  -4.567   0.938  21.429
  420    HB3  ARG  52           HB2      ARG  52  -4.713  -0.341  20.234
  421    HG2  ARG  52           HG1      ARG  52  -3.013   0.756  18.837
  422    HG3  ARG  52           HG2      ARG  52  -2.865   2.052  20.049
  423    HD2  ARG  52           HD1      ARG  52  -2.417  -0.862  20.635
  424    HD3  ARG  52           HD2      ARG  52  -1.132   0.281  20.180
  425    HE   ARG  52           HE       ARG  52  -2.438   1.482  22.294
  426   HH11  ARG  52          HH11      ARG  52  -0.796  -1.578  21.760
  427   HH12  ARG  52          HH12      ARG  52  -0.274  -1.731  23.423
  428   HH21  ARG  52          HH21      ARG  52  -1.754   1.272  24.449
  429   HH22  ARG  52          HH22      ARG  52  -0.816  -0.118  24.946
  430    H    ILE  53           HN       ILE  53  -4.799   3.120  17.833
  431    HA   ILE  53           HA       ILE  53  -5.619   1.312  15.619
  432    HB   ILE  53           HB       ILE  53  -4.906   4.276  15.593
  433   HG12  ILE  53          HG11      ILE  53  -7.604   2.960  15.227
  434   HG13  ILE  53          HG12      ILE  53  -7.042   3.631  16.750
  435   HG21  ILE  53          HG21      ILE  53  -5.749   4.224  13.280
  436   HG22  ILE  53          HG22      ILE  53  -4.342   3.153  13.472
  437   HG23  ILE  53          HG23      ILE  53  -5.980   2.464  13.400
  438   HD11  ILE  53          HD11      ILE  53  -8.477   5.204  15.575
  439   HD12  ILE  53          HD12      ILE  53  -6.822   5.846  15.708
  440   HD13  ILE  53          HD13      ILE  53  -7.392   5.167  14.165
  441    H    PHE  54           HN       PHE  54  -4.128   0.050  14.789
  442    HA   PHE  54           HA       PHE  54  -1.280   0.789  15.066
  443    HB2  PHE  54           HB1      PHE  54  -2.033  -1.515  15.639
  444    HB3  PHE  54           HB2      PHE  54  -2.570  -1.747  13.983
  445    HD1  PHE  54           HD1      PHE  54   0.546  -0.132  15.257
  446    HD2  PHE  54           HD2      PHE  54  -1.194  -3.396  13.119
  447    HE1  PHE  54           HE1      PHE  54   2.803  -0.927  14.636
  448    HE2  PHE  54           HE2      PHE  54   1.061  -4.196  12.499
  449    HZ   PHE  54           HZ       PHE  54   3.061  -2.959  13.257
  450    H    SER  55           HN       SER  55  -0.281   1.894  13.554
  451    HA   SER  55           HA       SER  55  -1.052   1.385  10.713
  452    HB2  SER  55           HB1      SER  55  -1.894   3.572  11.341
  453    HB3  SER  55           HB2      SER  55  -0.344   4.022  12.035
  454    HG   SER  55           HG       SER  55  -0.904   4.700   9.822
  455    H    VAL  56           HN       VAL  56   0.557   1.129   9.260
  456    HA   VAL  56           HA       VAL  56   3.347   1.410  10.297
  457    HB   VAL  56           HB       VAL  56   2.241  -0.787   8.495
  458   HG11  VAL  56          HG11      VAL  56   4.486  -1.752   8.622
  459   HG12  VAL  56          HG12      VAL  56   4.491  -0.154   7.838
  460   HG13  VAL  56          HG13      VAL  56   5.049  -0.323   9.520
  461   HG21  VAL  56          HG21      VAL  56   2.824  -2.267  10.391
  462   HG22  VAL  56          HG22      VAL  56   3.330  -0.849  11.340
  463   HG23  VAL  56          HG23      VAL  56   1.623  -1.045  10.873
  464    H    ASN  57           HN       ASN  57   4.522   2.790   9.177
  465    HA   ASN  57           HA       ASN  57   5.364   4.015   7.419
  466    HB2  ASN  57           HB1      ASN  57   5.281   1.654   6.340
  467    HB3  ASN  57           HB2      ASN  57   3.862   2.246   5.488
  468   HD21  ASN  57          HD21      ASN  57   6.625   2.875   3.226
  469   HD22  ASN  57          HD22      ASN  57   5.722   1.540   3.861
  470    H    LYS  58           HN       LYS  58   3.113   4.957   8.700
  471    HA   LYS  58           HA       LYS  58   1.309   6.371   8.485
  472    HB2  LYS  58           HB1      LYS  58   2.433   6.968   5.722
  473    HB3  LYS  58           HB2      LYS  58   1.361   7.991   6.668
  474    HG2  LYS  58           HG1      LYS  58   4.208   7.264   7.424
  475    HG3  LYS  58           HG2      LYS  58   3.682   8.791   6.700
  476    HD2  LYS  58           HD1      LYS  58   2.081   8.995   8.715
  477    HD3  LYS  58           HD2      LYS  58   3.032   7.694   9.447
  478    HE2  LYS  58           HE1      LYS  58   4.120  10.364   8.481
  479    HE3  LYS  58           HE2      LYS  58   3.837   9.910  10.163
  480    HZ1  LYS  58           HZ1      LYS  58   6.125   9.634   9.548
  481    HZ2  LYS  58           HZ2      LYS  58   5.465   8.166   9.905
  482    HZ3  LYS  58           HZ3      LYS  58   5.729   8.591   8.334
  483    H    GLU  59           HN       GLU  59   0.771   3.709   7.932
  484    HA   GLU  59           HA       GLU  59  -1.504   4.020   6.068
  485    HB2  GLU  59           HB1      GLU  59   0.410   3.124   4.715
  486    HB3  GLU  59           HB2      GLU  59   0.509   1.750   5.807
  487    HG2  GLU  59           HG1      GLU  59  -1.693   0.997   5.157
  488    HG3  GLU  59           HG2      GLU  59  -1.949   2.447   4.189
  489    H    GLU  60           HN       GLU  60  -3.236   3.419   7.136
  490    HA   GLU  60           HA       GLU  60  -3.119   2.157   9.672
  491    HB2  GLU  60           HB1      GLU  60  -4.992   3.607   8.846
  492    HB3  GLU  60           HB2      GLU  60  -5.498   2.307   7.777
  493    HG2  GLU  60           HG1      GLU  60  -5.974   0.871   9.682
  494    HG3  GLU  60           HG2      GLU  60  -5.365   2.096  10.792
  495    H    VAL  61           HN       VAL  61  -3.050   0.129  10.340
  496    HA   VAL  61           HA       VAL  61  -3.236  -1.994   8.254
  497    HB   VAL  61           HB       VAL  61  -1.865  -2.005  10.977
  498   HG11  VAL  61          HG11      VAL  61  -0.965  -4.179  10.307
  499   HG12  VAL  61          HG12      VAL  61  -2.740  -4.203  10.433
  500   HG13  VAL  61          HG13      VAL  61  -1.961  -4.137   8.833
  501   HG21  VAL  61          HG21      VAL  61   0.208  -2.100   9.629
  502   HG22  VAL  61          HG22      VAL  61  -0.759  -1.989   8.139
  503   HG23  VAL  61          HG23      VAL  61  -0.720  -0.623   9.279
  504    H    SER  62           HN       SER  62  -3.926  -1.490  11.741
  505    HA   SER  62           HA       SER  62  -6.539  -2.737  11.503
  506    HB2  SER  62           HB1      SER  62  -6.130  -4.718  12.787
  507    HB3  SER  62           HB2      SER  62  -4.994  -4.712  11.447
  508    HG   SER  62           HG       SER  62  -4.493  -3.857  14.082
  509    H    ARG  63           HN       ARG  63  -7.428  -3.198  13.804
  510    HA   ARG  63           HA       ARG  63  -6.346  -1.179  15.711
  511    HB2  ARG  63           HB1      ARG  63  -9.277  -1.495  14.975
  512    HB3  ARG  63           HB2      ARG  63  -8.635  -0.420  16.208
  513    HG2  ARG  63           HG1      ARG  63  -7.396   0.819  14.447
  514    HG3  ARG  63           HG2      ARG  63  -8.152  -0.232  13.225
  515    HD2  ARG  63           HD1      ARG  63 -10.362   0.495  14.077
  516    HD3  ARG  63           HD2      ARG  63  -9.516   1.659  15.122
  517    HE   ARG  63           HE       ARG  63  -8.681   1.924  12.397
  518   HH11  ARG  63          HH11      ARG  63 -11.324   2.661  14.591
  519   HH12  ARG  63          HH12      ARG  63 -11.862   4.051  13.676
  520   HH21  ARG  63          HH21      ARG  63  -9.389   3.732  11.219
  521   HH22  ARG  63          HH22      ARG  63 -10.767   4.659  11.767
  522    H    GLU  64           HN       GLU  64  -6.912  -1.508  17.908
  523    HA   GLU  64           HA       GLU  64  -8.280  -4.048  18.569
  524    HB2  GLU  64           HB1      GLU  64  -5.864  -4.621  18.381
  525    HB3  GLU  64           HB2      GLU  64  -5.480  -3.376  19.561
  526    HG2  GLU  64           HG1      GLU  64  -6.749  -4.565  21.274
  527    HG3  GLU  64           HG2      GLU  64  -7.228  -5.787  20.097
  528    H    ILE  65           HN       ILE  65  -9.436  -3.973  20.397
  529    HA   ILE  65           HA       ILE  65  -9.834  -1.371  21.604
  530    HB   ILE  65           HB       ILE  65 -10.955  -4.118  22.298
  531   HG12  ILE  65          HG11      ILE  65 -12.269  -1.775  20.906
  532   HG13  ILE  65          HG12      ILE  65 -11.538  -3.134  20.065
  533   HG21  ILE  65          HG21      ILE  65 -12.607  -2.891  23.649
  534   HG22  ILE  65          HG22      ILE  65 -10.960  -2.640  24.272
  535   HG23  ILE  65          HG23      ILE  65 -11.753  -1.366  23.317
  536   HD11  ILE  65          HD11      ILE  65 -13.946  -3.410  20.251
  537   HD12  ILE  65          HD12      ILE  65 -13.098  -4.675  21.172
  538   HD13  ILE  65          HD13      ILE  65 -13.840  -3.299  22.023
  539    H    VAL  66           HN       VAL  66  -8.863  -0.492  23.279
  540    HA   VAL  66           HA       VAL  66  -6.859  -2.042  24.746
  541    HB   VAL  66           HB       VAL  66  -7.758   0.862  24.975
  542   HG11  VAL  66          HG11      VAL  66  -5.741   1.203  26.318
  543   HG12  VAL  66          HG12      VAL  66  -6.879   0.080  27.099
  544   HG13  VAL  66          HG13      VAL  66  -5.425  -0.548  26.287
  545   HG21  VAL  66          HG21      VAL  66  -5.605   1.317  23.843
  546   HG22  VAL  66          HG22      VAL  66  -5.294  -0.432  23.736
  547   HG23  VAL  66          HG23      VAL  66  -6.654   0.287  22.841
  548    H    SER  67           HN       SER  67  -9.825  -0.208  25.565
  549    HA   SER  67           HA       SER  67 -10.520  -2.019  27.700
  550    HB2  SER  67           HB1      SER  67  -8.650  -0.880  28.813
  551    HB3  SER  67           HB2      SER  67  -9.371   0.684  28.469
  552    HG   SER  67           HG       SER  67 -11.166   0.038  29.682
  553    H    THR  68           HN       THR  68 -12.582  -1.726  28.419
  554    HA   THR  68           HA       THR  68 -13.999   0.699  27.398
  555    HB   THR  68           HB       THR  68 -15.990  -0.688  26.967
  556    HG1  THR  68           HG1      THR  68 -16.074  -2.594  27.860
  557   HG21  THR  68          HG21      THR  68 -15.140  -1.957  25.033
  558   HG22  THR  68          HG22      THR  68 -14.361  -0.360  25.138
  559   HG23  THR  68          HG23      THR  68 -13.483  -1.815  25.662
  560    H    SER  69           HN       SER  69 -15.876   1.348  28.576
  561    HA   SER  69           HA       SER  69 -16.499   0.080  31.116
  562    HB2  SER  69           HB1      SER  69 -14.459   1.265  31.771
  563    HB3  SER  69           HB2      SER  69 -15.085   2.767  31.107
  564    HG   SER  69           HG       SER  69 -15.689   1.445  33.423
  565    H    THR  70           HN       THR  70 -18.579   0.361  31.486
  566    HA   THR  70           HA       THR  70 -19.922   2.620  30.065
  567    HB   THR  70           HB       THR  70 -21.038  -0.114  30.825
  568    HG1  THR  70           HG1      THR  70 -21.050  -0.371  28.533
  569   HG21  THR  70          HG21      THR  70 -23.019   0.598  29.544
  570   HG22  THR  70          HG22      THR  70 -22.740   1.674  30.934
  571   HG23  THR  70          HG23      THR  70 -22.288   2.201  29.297
  572    H    THR  71           HN       THR  71 -20.710   4.171  31.278
  573    HA   THR  71           HA       THR  71 -21.389   3.602  34.106
  574    HB   THR  71           HB       THR  71 -21.295   6.227  32.558
  575    HG1  THR  71           HG1      THR  71 -19.247   5.265  33.030
  576   HG21  THR  71          HG21      THR  71 -21.555   7.285  34.768
  577   HG22  THR  71          HG22      THR  71 -22.969   6.279  34.374
  578   HG23  THR  71          HG23      THR  71 -21.744   5.684  35.518
  579    H    ALA  72           HN       ALA  72 -23.355   3.098  34.709
  580    HA   ALA  72           HA       ALA  72 -25.511   3.015  32.814
  581    HB1  ALA  72           HB1      ALA  72 -26.875   2.278  34.741
  582    HB2  ALA  72           HB2      ALA  72 -25.328   1.401  34.653
  583    HB3  ALA  72           HB3      ALA  72 -25.543   2.710  35.838
  584    HA   PRO  73           HA       PRO  73 -27.139   7.031  33.364
  585    HB2  PRO  73           HB1      PRO  73 -29.588   6.706  32.200
  586    HB3  PRO  73           HB2      PRO  73 -28.099   6.688  31.246
  587    HG2  PRO  73           HG1      PRO  73 -29.710   4.331  32.318
  588    HG3  PRO  73           HG2      PRO  73 -29.090   4.578  30.683
  589    HD2  PRO  73           HD1      PRO  73 -27.751   3.047  32.511
  590    HD3  PRO  73           HD2      PRO  73 -26.878   4.036  31.273
  591    H    SER  74           HN       SER  74 -29.073   8.119  34.364
  592    HA   SER  74           HA       SER  74 -30.266   6.413  36.511
  593    HB2  SER  74           HB1      SER  74 -28.629   7.965  37.442
  594    HB3  SER  74           HB2      SER  74 -29.394   9.318  36.623
  595    HG   SER  74           HG       SER  74 -30.772   9.420  38.124
  596    HA   PRO  75           HA       PRO  75 -33.898   7.700  34.137
  597    HB2  PRO  75           HB1      PRO  75 -34.987   5.720  36.169
  598    HB3  PRO  75           HB2      PRO  75 -35.367   5.871  34.449
  599    HG2  PRO  75           HG1      PRO  75 -33.727   3.919  35.209
  600    HG3  PRO  75           HG2      PRO  75 -33.328   4.851  33.763
  601    HD2  PRO  75           HD1      PRO  75 -32.219   5.125  36.586
  602    HD3  PRO  75           HD2      PRO  75 -31.336   5.162  35.007
  603    H    ARG  76           HN       ARG  76 -35.452   9.184  34.716
  604    HA   ARG  76           HA       ARG  76 -35.137  10.349  37.409
  605    HB2  ARG  76           HB1      ARG  76 -35.060  11.771  35.350
  606    HB3  ARG  76           HB2      ARG  76 -36.737  11.356  35.031
  607    HG2  ARG  76           HG1      ARG  76 -37.533  12.613  36.822
  608    HG3  ARG  76           HG2      ARG  76 -35.957  12.616  37.650
  609    HD2  ARG  76           HD1      ARG  76 -36.288  14.769  36.764
  610    HD3  ARG  76           HD2      ARG  76 -35.079  13.964  35.736
  611    HE   ARG  76           HE       ARG  76 -37.785  13.670  34.760
  612   HH11  ARG  76          HH11      ARG  76 -34.970  15.770  34.830
  613   HH12  ARG  76          HH12      ARG  76 -35.386  16.585  33.338
  614   HH21  ARG  76          HH21      ARG  76 -38.313  14.734  32.825
  615   HH22  ARG  76          HH22      ARG  76 -37.278  15.999  32.203
  616    H    ILE  77           HN       ILE  77 -36.499  10.032  39.017
  617    HA   ILE  77           HA       ILE  77 -39.239   9.042  38.351
  618    HB   ILE  77           HB       ILE  77 -37.499   8.297  40.741
  619   HG12  ILE  77          HG11      ILE  77 -38.484   6.573  38.458
  620   HG13  ILE  77          HG12      ILE  77 -36.871   7.262  38.555
  621   HG21  ILE  77          HG21      ILE  77 -39.344   6.776  41.324
  622   HG22  ILE  77          HG22      ILE  77 -39.884   8.470  41.337
  623   HG23  ILE  77          HG23      ILE  77 -40.304   7.414  39.968
  624   HD11  ILE  77          HD11      ILE  77 -36.882   4.946  39.296
  625   HD12  ILE  77          HD12      ILE  77 -36.458   6.032  40.642
  626   HD13  ILE  77          HD13      ILE  77 -38.092   5.333  40.542
  627    H    VAL  78           HN       VAL  78 -40.860  10.259  38.997
  628    HA   VAL  78           HA       VAL  78 -40.323  12.245  41.168
  629    HB   VAL  78           HB       VAL  78 -42.064  12.593  38.688
  630   HG11  VAL  78          HG11      VAL  78 -42.365  14.892  39.468
  631   HG12  VAL  78          HG12      VAL  78 -43.025  13.706  40.619
  632   HG13  VAL  78          HG13      VAL  78 -41.470  14.504  40.956
  633   HG21  VAL  78          HG21      VAL  78 -40.394  14.314  38.077
  634   HG22  VAL  78          HG22      VAL  78 -39.440  13.899  39.521
  635   HG23  VAL  78          HG23      VAL  78 -39.641  12.707  38.215
  636    H    GLU  79           HN       GLU  79 -41.701  12.299  42.822
  637    HA   GLU  79           HA       GLU  79 -44.002  10.440  42.758
  638    HB2  GLU  79           HB1      GLU  79 -42.770  12.050  45.032
  639    HB3  GLU  79           HB2      GLU  79 -44.124  10.943  45.209
  640    HG2  GLU  79           HG1      GLU  79 -42.700   9.075  44.484
  641    HG3  GLU  79           HG2      GLU  79 -41.343  10.182  44.292
  642    H    LYS  80           HN       LYS  80 -46.110  11.005  43.032
  643    HA   LYS  80           HA       LYS  80 -46.692  13.935  43.106
  644    HB2  LYS  80           HB1      LYS  80 -47.060  13.040  40.826
  645    HB3  LYS  80           HB2      LYS  80 -48.138  11.810  41.472
  646    HG2  LYS  80           HG1      LYS  80 -49.699  13.561  42.229
  647    HG3  LYS  80           HG2      LYS  80 -48.612  14.803  41.591
  648    HD2  LYS  80           HD1      LYS  80 -48.863  13.880  39.320
  649    HD3  LYS  80           HD2      LYS  80 -49.916  12.602  39.946
  650    HE2  LYS  80           HE1      LYS  80 -51.530  14.318  40.717
  651    HE3  LYS  80           HE2      LYS  80 -50.484  15.587  40.074
  652    HZ1  LYS  80           HZ1      LYS  80 -52.238  15.036  38.555
  653    HZ2  LYS  80           HZ2      LYS  80 -50.782  14.644  37.888
  654    HZ3  LYS  80           HZ3      LYS  80 -51.759  13.459  38.488
  655    H    GLY  81           HN       GLY  81 -47.722  14.482  44.869
  656    HA2  GLY  81           HA1      GLY  81 -48.742  12.596  46.749
  657    HA3  GLY  81           HA2      GLY  81 -49.010  14.328  46.791
  658    H    THR  82           HN       THR  82 -50.781  11.896  47.233
  659    HA   THR  82           HA       THR  82 -53.094  12.964  45.764
  660    HB   THR  82           HB       THR  82 -52.119  11.215  44.230
  661    HG1  THR  82           HG1      THR  82 -54.124  10.709  43.711
  662   HG21  THR  82          HG21      THR  82 -52.355   8.853  44.889
  663   HG22  THR  82          HG22      THR  82 -51.229   9.706  45.972
  664   HG23  THR  82          HG23      THR  82 -52.887   9.354  46.511
  665    H    LYS  83           HN       LYS  83 -54.946  11.042  46.280
  666    HA   LYS  83           HA       LYS  83 -54.817  10.672  49.235
  667    HB2  LYS  83           HB1      LYS  83 -57.124  11.892  47.668
  668    HB3  LYS  83           HB2      LYS  83 -57.223  11.390  49.350
  669    HG2  LYS  83           HG1      LYS  83 -55.496  13.036  49.958
  670    HG3  LYS  83           HG2      LYS  83 -55.371  13.532  48.264
  671    HD2  LYS  83           HD1      LYS  83 -57.737  14.227  48.277
  672    HD3  LYS  83           HD2      LYS  83 -57.891  13.698  49.959
  673    HE2  LYS  83           HE1      LYS  83 -56.234  15.356  50.668
  674    HE3  LYS  83           HE2      LYS  83 -55.964  15.843  48.993
  675    HZ1  LYS  83           HZ1      LYS  83 -57.447  17.335  50.117
  676    HZ2  LYS  83           HZ2      LYS  83 -58.250  16.568  48.896
  677    HZ3  LYS  83           HZ3      LYS  83 -58.502  16.114  50.462
  678    H    LYS  84           HN       LYS  84 -54.259   8.488  48.491
  679    HA   LYS  84           HA       LYS  84 -56.753   6.956  47.901
  680    HB2  LYS  84           HB1      LYS  84 -53.975   6.477  46.753
  681    HB3  LYS  84           HB2      LYS  84 -55.313   5.345  46.609
  682    HG2  LYS  84           HG1      LYS  84 -56.614   7.075  45.382
  683    HG3  LYS  84           HG2      LYS  84 -55.216   8.155  45.475
  684    HD2  LYS  84           HD1      LYS  84 -53.853   6.534  44.225
  685    HD3  LYS  84           HD2      LYS  84 -55.215   5.406  44.174
  686    HE2  LYS  84           HE1      LYS  84 -56.536   7.054  42.889
  687    HE3  LYS  84           HE2      LYS  84 -55.182   8.186  42.943
  688    HZ1  LYS  84           HZ1      LYS  84 -55.243   6.979  40.886
  689    HZ2  LYS  84           HZ2      LYS  84 -53.874   6.588  41.720
  690    HZ3  LYS  84           HZ3      LYS  84 -55.139   5.532  41.670
  Start of MODEL    2
    1    H1   GLY   1          1HN       GLY   1  -0.334  -0.943  -0.000
    2    H2   GLY   1          2HN       GLY   1  -0.334   0.471   0.816
    3    H3   GLY   1          3HN       GLY   1  -0.334   0.471  -0.816
    4    HA2  GLY   1           HA1      GLY   1   1.822  -0.535   0.877
    5    HA3  GLY   1           HA2      GLY   1   1.822  -0.535  -0.876
    6    H    SER   2           HN       SER   2   3.849   0.720   0.467
    7    HA   SER   2           HA       SER   2   3.275   3.570   0.757
    8    HB2  SER   2           HB1      SER   2   5.608   3.790   1.289
    9    HB3  SER   2           HB2      SER   2   4.998   2.358   2.104
   10    HG   SER   2           HG       SER   2   5.842   1.114   0.448
   11    H    HIS   3           HN       HIS   3   4.823   5.140  -0.380
   12    HA   HIS   3           HA       HIS   3   4.316   4.782  -3.263
   13    HB2  HIS   3           HB1      HIS   3   5.425   7.135  -1.688
   14    HB3  HIS   3           HB2      HIS   3   5.090   7.146  -3.413
   15    HD2  HIS   3           HD2      HIS   3   3.317   7.964  -0.174
   16    HE1  HIS   3           HE1      HIS   3   0.255   7.388  -3.082
   17    HE2  HIS   3           HE2      HIS   3   0.793   8.250  -0.744
   18    H    ASN   4           HN       ASN   4   5.934   2.925  -3.174
   19    HA   ASN   4           HA       ASN   4   8.406   3.899  -4.361
   20    HB2  ASN   4           HB1      ASN   4   8.575   3.759  -1.673
   21    HB3  ASN   4           HB2      ASN   4   8.929   2.079  -2.057
   22   HD21  ASN   4          HD21      ASN   4  11.978   4.363  -2.045
   23   HD22  ASN   4          HD22      ASN   4  10.607   4.288  -0.990
   24    H    LYS   5           HN       LYS   5   9.946   1.886  -4.674
   25    HA   LYS   5           HA       LYS   5   8.496   0.019  -6.288
   26    HB2  LYS   5           HB1      LYS   5  10.879   0.621  -6.664
   27    HB3  LYS   5           HB2      LYS   5  11.319  -0.188  -5.166
   28    HG2  LYS   5           HG1      LYS   5  10.588  -2.341  -6.081
   29    HG3  LYS   5           HG2      LYS   5  10.072  -1.544  -7.574
   30    HD2  LYS   5           HD1      LYS   5  12.394  -0.804  -7.989
   31    HD3  LYS   5           HD2      LYS   5  12.913  -1.591  -6.491
   32    HE2  LYS   5           HE1      LYS   5  12.179  -3.778  -7.385
   33    HE3  LYS   5           HE2      LYS   5  11.660  -2.995  -8.880
   34    HZ1  LYS   5           HZ1      LYS   5  13.827  -3.966  -9.099
   35    HZ2  LYS   5           HZ2      LYS   5  13.935  -2.327  -9.251
   36    HZ3  LYS   5           HZ3      LYS   5  14.419  -3.060  -7.855
   37    HA   PRO   6           HA       PRO   6   6.907  -2.687  -3.220
   38    HB2  PRO   6           HB1      PRO   6   7.008  -4.566  -5.612
   39    HB3  PRO   6           HB2      PRO   6   5.687  -4.295  -4.467
   40    HG2  PRO   6           HG1      PRO   6   5.524  -3.151  -6.861
   41    HG3  PRO   6           HG2      PRO   6   5.087  -2.203  -5.436
   42    HD2  PRO   6           HD1      PRO   6   7.673  -2.170  -7.041
   43    HD3  PRO   6           HD2      PRO   6   6.734  -0.780  -6.363
   44    H    GLU   7           HN       GLU   7   7.893  -4.079  -1.839
   45    HA   GLU   7           HA       GLU   7  10.108  -5.785  -2.802
   46    HB2  GLU   7           HB1      GLU   7  11.188  -3.659  -2.102
   47    HB3  GLU   7           HB2      GLU   7  10.435  -3.795  -0.519
   48    HG2  GLU   7           HG1      GLU   7  11.687  -5.838  -0.062
   49    HG3  GLU   7           HG2      GLU   7  12.392  -5.792  -1.677
   50    H    LEU   8           HN       LEU   8  10.203  -7.700  -1.818
   51    HA   LEU   8           HA       LEU   8   8.081  -8.264   0.143
   52    HB2  LEU   8           HB1      LEU   8   9.938  -9.935  -1.548
   53    HB3  LEU   8           HB2      LEU   8   9.081 -10.661  -0.185
   54    HG   LEU   8           HG       LEU   8   6.917  -9.955  -1.229
   55   HD11  LEU   8          HD11      LEU   8   6.943  -9.225  -3.572
   56   HD12  LEU   8          HD12      LEU   8   7.766  -8.058  -2.511
   57   HD13  LEU   8          HD13      LEU   8   8.721  -9.160  -3.532
   58   HD21  LEU   8          HD21      LEU   8   6.994 -11.670  -3.007
   59   HD22  LEU   8          HD22      LEU   8   8.773 -11.641  -2.960
   60   HD23  LEU   8          HD23      LEU   8   7.855 -12.221  -1.550
   61    H    LEU   9           HN       LEU   9   8.426  -8.088   2.233
   62    HA   LEU   9           HA       LEU   9  11.208  -8.505   3.234
   63    HB2  LEU   9           HB1      LEU   9   8.926  -6.954   4.508
   64    HB3  LEU   9           HB2      LEU   9  10.570  -7.093   5.137
   65    HG   LEU   9           HG       LEU   9   9.787  -5.715   2.544
   66   HD11  LEU   9          HD11      LEU   9  10.345  -3.659   3.764
   67   HD12  LEU   9          HD12      LEU   9   8.993  -4.530   4.526
   68   HD13  LEU   9          HD13      LEU   9  10.621  -4.612   5.242
   69   HD21  LEU   9          HD21      LEU   9  12.137  -4.947   2.568
   70   HD22  LEU   9          HD22      LEU   9  12.439  -5.918   4.029
   71   HD23  LEU   9          HD23      LEU   9  12.044  -6.723   2.492
   72    H    TYR  10           HN       TYR  10  11.604  -9.794   4.990
   73    HA   TYR  10           HA       TYR  10   9.282 -11.373   6.004
   74    HB2  TYR  10           HB1      TYR  10  12.020 -12.478   5.256
   75    HB3  TYR  10           HB2      TYR  10  10.710 -13.395   5.987
   76    HD1  TYR  10           HD1      TYR  10  12.057 -11.986   2.922
   77    HD2  TYR  10           HD2      TYR  10   8.630 -13.850   4.709
   78    HE1  TYR  10           HE1      TYR  10  11.177 -12.522   0.676
   79    HE2  TYR  10           HE2      TYR  10   7.750 -14.386   2.462
   80    HH   TYR  10           HH       TYR  10   8.080 -14.249   0.276
   81    H    ARG  11           HN       ARG  11   9.257 -10.003   7.828
   82    HA   ARG  11           HA       ARG  11  11.723  -9.760   9.409
   83    HB2  ARG  11           HB1      ARG  11  10.212  -7.824   9.137
   84    HB3  ARG  11           HB2      ARG  11   8.917  -8.714   9.922
   85    HG2  ARG  11           HG1      ARG  11  10.209  -8.787  12.007
   86    HG3  ARG  11           HG2      ARG  11  11.534  -7.901  11.213
   87    HD2  ARG  11           HD1      ARG  11  10.122  -6.005  10.867
   88    HD3  ARG  11           HD2      ARG  11   8.715  -6.890  11.501
   89    HE   ARG  11           HE       ARG  11   9.509  -6.615  13.664
   90   HH11  ARG  11          HH11      ARG  11  11.859  -5.447  11.329
   91   HH12  ARG  11          HH12      ARG  11  12.821  -4.611  12.527
   92   HH21  ARG  11          HH21      ARG  11  10.765  -5.525  15.210
   93   HH22  ARG  11          HH22      ARG  11  12.202  -4.654  14.724
   94    H    GLU  12           HN       GLU  12  12.287 -11.524  10.513
   95    HA   GLU  12           HA       GLU  12  10.219 -13.127  11.878
   96    HB2  GLU  12           HB1      GLU  12  13.238 -13.449  11.655
   97    HB3  GLU  12           HB2      GLU  12  12.193 -14.553  12.537
   98    HG2  GLU  12           HG1      GLU  12  10.995 -15.098  10.468
   99    HG3  GLU  12           HG2      GLU  12  12.008 -13.966   9.574
  100    H    GLU  13           HN       GLU  13   9.636 -12.887  13.908
  101    HA   GLU  13           HA       GLU  13  11.474 -11.370  15.714
  102    HB2  GLU  13           HB1      GLU  13   8.432 -11.299  15.599
  103    HB3  GLU  13           HB2      GLU  13   9.392 -10.562  16.874
  104    HG2  GLU  13           HG1      GLU  13  10.491  -9.122  15.175
  105    HG3  GLU  13           HG2      GLU  13   9.450  -9.827  13.940
  106    H    THR  14           HN       THR  14  11.715 -12.057  17.799
  107    HA   THR  14           HA       THR  14  10.582 -14.765  18.354
  108    HB   THR  14           HB       THR  14  13.134 -13.478  19.417
  109    HG1  THR  14           HG1      THR  14  14.085 -15.170  18.142
  110   HG21  THR  14          HG21      THR  14  13.556 -15.689  20.418
  111   HG22  THR  14          HG22      THR  14  12.064 -14.971  21.069
  112   HG23  THR  14          HG23      THR  14  11.971 -16.257  19.844
  113    H    ILE  15           HN       ILE  15   9.117 -14.937  19.873
  114    HA   ILE  15           HA       ILE  15   9.010 -12.798  21.957
  115    HB   ILE  15           HB       ILE  15   6.746 -14.491  20.817
  116   HG12  ILE  15          HG11      ILE  15   7.211 -11.509  20.618
  117   HG13  ILE  15          HG12      ILE  15   7.629 -12.658  19.357
  118   HG21  ILE  15          HG21      ILE  15   5.290 -13.115  22.248
  119   HG22  ILE  15          HG22      ILE  15   6.449 -14.047  23.224
  120   HG23  ILE  15          HG23      ILE  15   6.721 -12.312  22.938
  121   HD11  ILE  15          HD11      ILE  15   5.492 -11.592  18.898
  122   HD12  ILE  15          HD12      ILE  15   5.274 -13.337  19.177
  123   HD13  ILE  15          HD13      ILE  15   4.850 -12.171  20.453
  124    H    GLU  16           HN       GLU  16   9.750 -13.446  23.840
  125    HA   GLU  16           HA       GLU  16   9.310 -16.292  24.623
  126    HB2  GLU  16           HB1      GLU  16  11.674 -15.595  24.576
  127    HB3  GLU  16           HB2      GLU  16  11.323 -14.252  25.654
  128    HG2  GLU  16           HG1      GLU  16  10.672 -15.854  27.420
  129    HG3  GLU  16           HG2      GLU  16  11.065 -17.189  26.338
  130    H    THR  17           HN       THR  17   7.794 -16.710  26.046
  131    HA   THR  17           HA       THR  17   6.958 -14.525  27.898
  132    HB   THR  17           HB       THR  17   5.468 -17.039  27.029
  133    HG1  THR  17           HG1      THR  17   5.060 -15.685  25.432
  134   HG21  THR  17          HG21      THR  17   3.580 -16.093  28.298
  135   HG22  THR  17          HG22      THR  17   4.965 -16.422  29.367
  136   HG23  THR  17          HG23      THR  17   4.615 -14.756  28.850
  137    H    LYS  18           HN       LYS  18   7.427 -14.642  29.966
  138    HA   LYS  18           HA       LYS  18   8.831 -16.940  31.039
  139    HB2  LYS  18           HB1      LYS  18   7.708 -14.454  32.391
  140    HB3  LYS  18           HB2      LYS  18   8.709 -15.655  33.194
  141    HG2  LYS  18           HG1      LYS  18   9.578 -14.008  30.801
  142    HG3  LYS  18           HG2      LYS  18   9.963 -13.643  32.489
  143    HD2  LYS  18           HD1      LYS  18  11.003 -15.972  32.626
  144    HD3  LYS  18           HD2      LYS  18  10.833 -16.054  30.866
  145    HE2  LYS  18           HE1      LYS  18  12.313 -13.839  32.328
  146    HE3  LYS  18           HE2      LYS  18  13.092 -15.276  31.659
  147    HZ1  LYS  18           HZ1      LYS  18  13.204 -13.429  30.153
  148    HZ2  LYS  18           HZ2      LYS  18  12.288 -14.631  29.492
  149    HZ3  LYS  18           HZ3      LYS  18  11.561 -13.289  30.117
  150    H    ILE  19           HN       ILE  19   8.138 -18.610  32.191
  151    HA   ILE  19           HA       ILE  19   5.196 -18.788  32.615
  152    HB   ILE  19           HB       ILE  19   7.269 -21.022  32.538
  153   HG12  ILE  19          HG11      ILE  19   7.117 -19.967  30.368
  154   HG13  ILE  19          HG12      ILE  19   6.354 -21.549  30.331
  155   HG21  ILE  19          HG21      ILE  19   5.297 -22.486  32.368
  156   HG22  ILE  19          HG22      ILE  19   5.271 -21.552  33.881
  157   HG23  ILE  19          HG23      ILE  19   4.228 -21.072  32.522
  158   HD11  ILE  19          HD11      ILE  19   5.049 -19.917  29.089
  159   HD12  ILE  19          HD12      ILE  19   4.139 -20.499  30.504
  160   HD13  ILE  19          HD13      ILE  19   4.912 -18.897  30.539
  161    H    ASP  20           HN       ASP  20   4.366 -18.746  34.574
  162    HA   ASP  20           HA       ASP  20   6.053 -18.302  36.857
  163    HB2  ASP  20           HB1      ASP  20   3.074 -18.846  36.590
  164    HB3  ASP  20           HB2      ASP  20   3.851 -18.509  38.130
  165    H    PHE  21           HN       PHE  21   5.970 -19.530  38.879
  166    HA   PHE  21           HA       PHE  21   5.612 -22.453  38.455
  167    HB2  PHE  21           HB1      PHE  21   7.789 -22.929  39.472
  168    HB3  PHE  21           HB2      PHE  21   7.993 -21.961  38.020
  169    HD1  PHE  21           HD1      PHE  21   8.175 -21.965  41.689
  170    HD2  PHE  21           HD2      PHE  21   8.809 -19.695  38.126
  171    HE1  PHE  21           HE1      PHE  21   9.482 -20.310  42.978
  172    HE2  PHE  21           HE2      PHE  21  10.119 -18.039  39.411
  173    HZ   PHE  21           HZ       PHE  21  10.454 -18.346  41.839
  174    H    GLN  22           HN       GLN  22   5.672 -23.693  40.481
  175    HA   GLN  22           HA       GLN  22   4.197 -22.145  42.533
  176    HB2  GLN  22           HB1      GLN  22   4.506 -25.151  42.157
  177    HB3  GLN  22           HB2      GLN  22   3.502 -24.377  43.374
  178    HG2  GLN  22           HG1      GLN  22   3.139 -24.094  40.384
  179    HG3  GLN  22           HG2      GLN  22   2.208 -25.177  41.456
  180   HE21  GLN  22          HE21      GLN  22   0.876 -21.517  40.814
  181   HE22  GLN  22          HE22      GLN  22   1.945 -22.417  39.790
  182    H    GLU  23           HN       GLU  23   4.532 -22.639  44.816
  183    HA   GLU  23           HA       GLU  23   7.388 -23.310  45.388
  184    HB2  GLU  23           HB1      GLU  23   5.691 -21.151  46.706
  185    HB3  GLU  23           HB2      GLU  23   7.307 -21.617  47.216
  186    HG2  GLU  23           HG1      GLU  23   8.222 -20.883  45.070
  187    HG3  GLU  23           HG2      GLU  23   6.605 -20.467  44.506
  188    H    GLU  24           HN       GLU  24   7.830 -24.509  47.180
  189    HA   GLU  24           HA       GLU  24   5.626 -25.244  48.995
  190    HB2  GLU  24           HB1      GLU  24   5.409 -26.852  47.117
  191    HB3  GLU  24           HB2      GLU  24   7.092 -27.318  47.313
  192    HG2  GLU  24           HG1      GLU  24   6.623 -28.209  49.533
  193    HG3  GLU  24           HG2      GLU  24   4.950 -27.667  49.421
  194    H    ILE  25           HN       ILE  25   6.303 -25.596  51.007
  195    HA   ILE  25           HA       ILE  25   9.225 -26.080  51.403
  196    HB   ILE  25           HB       ILE  25   7.220 -24.721  53.253
  197   HG12  ILE  25          HG11      ILE  25   9.669 -23.589  51.884
  198   HG13  ILE  25          HG12      ILE  25   8.028 -23.405  51.283
  199   HG21  ILE  25          HG21      ILE  25   9.153 -24.346  54.730
  200   HG22  ILE  25          HG22      ILE  25   8.843 -26.084  54.513
  201   HG23  ILE  25          HG23      ILE  25  10.180 -25.304  53.636
  202   HD11  ILE  25          HD11      ILE  25   8.737 -21.433  52.514
  203   HD12  ILE  25          HD12      ILE  25   7.388 -22.240  53.349
  204   HD13  ILE  25          HD13      ILE  25   9.050 -22.425  53.957
  205    H    GLN  26           HN       GLN  26   9.844 -27.921  52.285
  206    HA   GLN  26           HA       GLN  26   7.726 -29.608  53.554
  207    HB2  GLN  26           HB1      GLN  26  10.072 -30.494  51.825
  208    HB3  GLN  26           HB2      GLN  26   8.969 -31.579  52.659
  209    HG2  GLN  26           HG1      GLN  26   7.094 -30.703  51.332
  210    HG3  GLN  26           HG2      GLN  26   8.228 -29.622  50.474
  211   HE21  GLN  26          HE21      GLN  26   7.599 -32.737  48.480
  212   HE22  GLN  26          HE22      GLN  26   6.576 -31.537  49.196
  213    H    GLU  27           HN       GLU  27   8.371 -31.057  55.201
  214    HA   GLU  27           HA       GLU  27  10.549 -29.924  56.836
  215    HB2  GLU  27           HB1      GLU  27   8.439 -32.038  57.427
  216    HB3  GLU  27           HB2      GLU  27   9.648 -31.501  58.584
  217    HG2  GLU  27           HG1      GLU  27   8.745 -29.234  58.522
  218    HG3  GLU  27           HG2      GLU  27   7.575 -29.713  57.295
  219    H    ASN  28           HN       ASN  28  12.292 -31.057  57.643
  220    HA   ASN  28           HA       ASN  28  12.735 -33.796  56.587
  221    HB2  ASN  28           HB1      ASN  28  13.784 -32.143  55.011
  222    HB3  ASN  28           HB2      ASN  28  14.791 -31.578  56.337
  223   HD21  ASN  28          HD21      ASN  28  16.737 -34.037  54.415
  224   HD22  ASN  28          HD22      ASN  28  15.997 -32.500  54.119
  225    HA   PRO  29           HA       PRO  29  13.719 -33.801  60.884
  226    HB2  PRO  29           HB1      PRO  29  13.510 -36.522  61.257
  227    HB3  PRO  29           HB2      PRO  29  12.096 -35.470  61.110
  228    HG2  PRO  29           HG1      PRO  29  13.458 -37.149  58.960
  229    HG3  PRO  29           HG2      PRO  29  11.737 -37.054  59.345
  230    HD2  PRO  29           HD1      PRO  29  12.787 -35.606  57.303
  231    HD3  PRO  29           HD2      PRO  29  11.474 -34.927  58.347
  232    H    ASP  30           HN       ASP  30  15.382 -35.180  58.222
  233    HA   ASP  30           HA       ASP  30  17.603 -36.316  59.729
  234    HB2  ASP  30           HB1      ASP  30  17.260 -35.613  56.788
  235    HB3  ASP  30           HB2      ASP  30  18.713 -36.354  57.447
  236    H    LEU  31           HN       LEU  31  16.630 -33.170  58.841
  237    HA   LEU  31           HA       LEU  31  19.396 -32.134  59.204
  238    HB2  LEU  31           HB1      LEU  31  16.849 -30.709  58.356
  239    HB3  LEU  31           HB2      LEU  31  18.449 -29.971  58.470
  240    HG   LEU  31           HG       LEU  31  17.681 -32.200  56.552
  241   HD11  LEU  31          HD11      LEU  31  17.831 -30.444  54.842
  242   HD12  LEU  31          HD12      LEU  31  16.560 -30.092  56.037
  243   HD13  LEU  31          HD13      LEU  31  18.117 -29.232  56.112
  244   HD21  LEU  31          HD21      LEU  31  19.884 -31.705  55.547
  245   HD22  LEU  31          HD22      LEU  31  20.200 -30.509  56.827
  246   HD23  LEU  31          HD23      LEU  31  20.056 -32.235  57.237
  247    H    ALA  32           HN       ALA  32  19.845 -30.481  60.710
  248    HA   ALA  32           HA       ALA  32  18.597 -30.822  63.257
  249    HB1  ALA  32           HB1      ALA  32  19.988 -28.898  63.952
  250    HB2  ALA  32           HB2      ALA  32  20.927 -30.087  63.018
  251    HB3  ALA  32           HB3      ALA  32  20.383 -28.579  62.248
  252    H    GLU  33           HN       GLU  33  17.202 -29.580  64.437
  253    HA   GLU  33           HA       GLU  33  15.001 -28.549  63.042
  254    HB2  GLU  33           HB1      GLU  33  14.990 -29.279  65.434
  255    HB3  GLU  33           HB2      GLU  33  15.880 -27.826  65.867
  256    HG2  GLU  33           HG1      GLU  33  14.011 -26.435  65.092
  257    HG3  GLU  33           HG2      GLU  33  13.120 -27.883  64.628
  258    H    GLY  34           HN       GLY  34  14.699 -26.801  61.879
  259    HA2  GLY  34           HA1      GLY  34  14.507 -24.389  61.792
  260    HA3  GLY  34           HA2      GLY  34  15.938 -24.249  62.797
  261    H    THR  35           HN       THR  35  16.881 -26.633  60.874
  262    HA   THR  35           HA       THR  35  18.615 -24.986  59.303
  263    HB   THR  35           HB       THR  35  17.911 -27.936  58.992
  264    HG1  THR  35           HG1      THR  35  18.893 -27.379  60.996
  265   HG21  THR  35          HG21      THR  35  20.029 -28.080  57.742
  266   HG22  THR  35          HG22      THR  35  18.885 -26.985  56.931
  267   HG23  THR  35          HG23      THR  35  20.235 -26.318  57.879
  268    H    VAL  36           HN       VAL  36  18.426 -24.075  57.382
  269    HA   VAL  36           HA       VAL  36  16.044 -24.814  55.737
  270    HB   VAL  36           HB       VAL  36  17.666 -22.232  55.760
  271   HG11  VAL  36          HG11      VAL  36  15.939 -21.369  54.256
  272   HG12  VAL  36          HG12      VAL  36  16.822 -22.739  53.541
  273   HG13  VAL  36          HG13      VAL  36  15.186 -22.980  54.199
  274   HG21  VAL  36          HG21      VAL  36  15.603 -21.250  56.712
  275   HG22  VAL  36          HG22      VAL  36  14.847 -22.862  56.731
  276   HG23  VAL  36          HG23      VAL  36  16.255 -22.526  57.767
  277    H    ARG  37           HN       ARG  37  16.420 -25.934  53.965
  278    HA   ARG  37           HA       ARG  37  18.929 -25.417  52.457
  279    HB2  ARG  37           HB1      ARG  37  19.289 -27.428  53.877
  280    HB3  ARG  37           HB2      ARG  37  17.887 -28.188  53.140
  281    HG2  ARG  37           HG1      ARG  37  18.975 -28.276  50.992
  282    HG3  ARG  37           HG2      ARG  37  20.348 -27.321  51.604
  283    HD2  ARG  37           HD1      ARG  37  21.025 -29.569  51.583
  284    HD3  ARG  37           HD2      ARG  37  20.714 -29.145  53.282
  285    HE   ARG  37           HE       ARG  37  18.338 -30.209  52.304
  286   HH11  ARG  37          HH11      ARG  37  21.655 -31.283  52.734
  287   HH12  ARG  37          HH12      ARG  37  21.214 -32.959  52.970
  288   HH21  ARG  37          HH21      ARG  37  17.778 -32.388  52.612
  289   HH22  ARG  37          HH22      ARG  37  19.019 -33.586  52.902
  290    H    VAL  38           HN       VAL  38  18.442 -24.905  50.451
  291    HA   VAL  38           HA       VAL  38  15.773 -25.317  49.403
  292    HB   VAL  38           HB       VAL  38  18.320 -24.332  48.047
  293   HG11  VAL  38          HG11      VAL  38  16.829 -23.401  46.345
  294   HG12  VAL  38          HG12      VAL  38  16.731 -25.177  46.418
  295   HG13  VAL  38          HG13      VAL  38  15.440 -24.184  47.136
  296   HG21  VAL  38          HG21      VAL  38  17.320 -22.096  48.397
  297   HG22  VAL  38          HG22      VAL  38  15.951 -22.845  49.254
  298   HG23  VAL  38          HG23      VAL  38  17.589 -22.931  49.946
  299    H    LYS  39           HN       LYS  39  15.006 -27.045  48.422
  300    HA   LYS  39           HA       LYS  39  16.860 -29.161  47.553
  301    HB2  LYS  39           HB1      LYS  39  14.828 -29.748  48.843
  302    HB3  LYS  39           HB2      LYS  39  13.817 -29.057  47.581
  303    HG2  LYS  39           HG1      LYS  39  14.527 -30.756  46.001
  304    HG3  LYS  39           HG2      LYS  39  15.699 -31.397  47.162
  305    HD2  LYS  39           HD1      LYS  39  13.849 -31.966  48.710
  306    HD3  LYS  39           HD2      LYS  39  12.681 -31.336  47.539
  307    HE2  LYS  39           HE1      LYS  39  13.414 -33.019  45.889
  308    HE3  LYS  39           HE2      LYS  39  14.601 -33.641  47.039
  309    HZ1  LYS  39           HZ1      LYS  39  12.607 -34.949  47.035
  310    HZ2  LYS  39           HZ2      LYS  39  12.791 -34.221  48.504
  311    HZ3  LYS  39           HZ3      LYS  39  11.683 -33.642  47.429
  312    H    GLN  40           HN       GLN  40  14.460 -26.958  46.138
  313    HA   GLN  40           HA       GLN  40  15.780 -27.395  43.514
  314    HB2  GLN  40           HB1      GLN  40  13.747 -28.841  43.574
  315    HB3  GLN  40           HB2      GLN  40  12.762 -27.428  43.920
  316    HG2  GLN  40           HG1      GLN  40  13.275 -26.460  41.774
  317    HG3  GLN  40           HG2      GLN  40  14.436 -27.772  41.425
  318   HE21  GLN  40          HE21      GLN  40  11.189 -28.443  39.698
  319   HE22  GLN  40          HE22      GLN  40  12.314 -27.126  39.709
  320    H    GLU  41           HN       GLU  41  16.313 -25.564  42.581
  321    HA   GLU  41           HA       GLU  41  15.584 -23.052  43.828
  322    HB2  GLU  41           HB1      GLU  41  17.815 -23.500  42.779
  323    HB3  GLU  41           HB2      GLU  41  17.041 -23.559  41.202
  324    HG2  GLU  41           HG1      GLU  41  16.360 -21.226  41.413
  325    HG3  GLU  41           HG2      GLU  41  17.042 -21.152  43.036
  326    H    GLY  42           HN       GLY  42  14.095 -21.595  43.304
  327    HA2  GLY  42           HA1      GLY  42  12.010 -22.275  41.411
  328    HA3  GLY  42           HA2      GLY  42  12.140 -20.785  42.328
  329    H    LYS  43           HN       LYS  43  12.046 -21.968  39.285
  330    HA   LYS  43           HA       LYS  43  13.395 -19.544  38.222
  331    HB2  LYS  43           HB1      LYS  43  13.782 -22.359  37.127
  332    HB3  LYS  43           HB2      LYS  43  14.335 -20.886  36.341
  333    HG2  LYS  43           HG1      LYS  43  15.796 -20.415  38.296
  334    HG3  LYS  43           HG2      LYS  43  15.273 -21.940  39.024
  335    HD2  LYS  43           HD1      LYS  43  16.145 -23.171  37.053
  336    HD3  LYS  43           HD2      LYS  43  16.688 -21.641  36.349
  337    HE2  LYS  43           HE1      LYS  43  18.165 -21.270  38.301
  338    HE3  LYS  43           HE2      LYS  43  17.628 -22.799  39.000
  339    HZ1  LYS  43           HZ1      LYS  43  19.701 -23.037  37.846
  340    HZ2  LYS  43           HZ2      LYS  43  18.537 -23.926  37.086
  341    HZ3  LYS  43           HZ3      LYS  43  19.041 -22.497  36.434
  342    H    LEU  44           HN       LEU  44  12.430 -18.595  36.506
  343    HA   LEU  44           HA       LEU  44   9.729 -19.464  35.842
  344    HB2  LEU  44           HB1      LEU  44  11.484 -17.247  34.730
  345    HB3  LEU  44           HB2      LEU  44   9.795 -17.503  34.282
  346    HG   LEU  44           HG       LEU  44  10.729 -16.892  37.107
  347   HD11  LEU  44          HD11      LEU  44   9.899 -14.623  36.671
  348   HD12  LEU  44          HD12      LEU  44  11.255 -15.044  35.599
  349   HD13  LEU  44          HD13      LEU  44   9.588 -15.062  34.976
  350   HD21  LEU  44          HD21      LEU  44   8.328 -16.418  37.453
  351   HD22  LEU  44          HD22      LEU  44   7.993 -16.882  35.767
  352   HD23  LEU  44          HD23      LEU  44   8.579 -18.099  36.926
  353    H    GLY  45           HN       GLY  45   8.949 -20.251  33.924
  354    HA2  GLY  45           HA1      GLY  45  10.835 -21.720  32.238
  355    HA3  GLY  45           HA2      GLY  45   9.089 -21.691  32.077
  356    H    LYS  46           HN       LYS  46  10.210 -21.602  29.752
  357    HA   LYS  46           HA       LYS  46  10.140 -18.759  28.902
  358    HB2  LYS  46           HB1      LYS  46  12.390 -20.701  28.240
  359    HB3  LYS  46           HB2      LYS  46  12.160 -19.139  27.467
  360    HG2  LYS  46           HG1      LYS  46  12.459 -18.022  29.661
  361    HG3  LYS  46           HG2      LYS  46  12.735 -19.602  30.408
  362    HD2  LYS  46           HD1      LYS  46  14.678 -19.967  28.916
  363    HD3  LYS  46           HD2      LYS  46  14.404 -18.383  28.176
  364    HE2  LYS  46           HE1      LYS  46  14.769 -17.290  30.359
  365    HE3  LYS  46           HE2      LYS  46  15.022 -18.866  31.114
  366    HZ1  LYS  46           HZ1      LYS  46  17.089 -17.803  30.577
  367    HZ2  LYS  46           HZ2      LYS  46  16.924 -19.181  29.685
  368    HZ3  LYS  46           HZ3      LYS  46  16.688 -17.708  28.980
  369    H    LYS  47           HN       LYS  47   8.190 -19.070  27.902
  370    HA   LYS  47           HA       LYS  47   7.966 -21.159  25.838
  371    HB2  LYS  47           HB1      LYS  47   6.020 -20.567  27.280
  372    HB3  LYS  47           HB2      LYS  47   6.035 -18.938  26.621
  373    HG2  LYS  47           HG1      LYS  47   5.516 -19.804  24.388
  374    HG3  LYS  47           HG2      LYS  47   5.567 -21.461  25.005
  375    HD2  LYS  47           HD1      LYS  47   3.708 -20.920  26.566
  376    HD3  LYS  47           HD2      LYS  47   3.642 -19.282  25.898
  377    HE2  LYS  47           HE1      LYS  47   3.132 -20.218  23.663
  378    HE3  LYS  47           HE2      LYS  47   3.191 -21.851  24.332
  379    HZ1  LYS  47           HZ1      LYS  47   0.953 -21.040  24.180
  380    HZ2  LYS  47           HZ2      LYS  47   1.356 -21.268  25.764
  381    HZ3  LYS  47           HZ3      LYS  47   1.300 -19.743  25.137
  382    H    VAL  48           HN       VAL  48   9.236 -20.781  24.128
  383    HA   VAL  48           HA       VAL  48   9.435 -17.998  23.114
  384    HB   VAL  48           HB       VAL  48  11.054 -20.492  22.437
  385   HG11  VAL  48          HG11      VAL  48  12.578 -18.953  21.298
  386   HG12  VAL  48          HG12      VAL  48  10.959 -18.957  20.558
  387   HG13  VAL  48          HG13      VAL  48  11.454 -17.610  21.611
  388   HG21  VAL  48          HG21      VAL  48  12.836 -19.364  23.731
  389   HG22  VAL  48          HG22      VAL  48  11.714 -18.039  24.119
  390   HG23  VAL  48          HG23      VAL  48  11.406 -19.677  24.743
  391    H    GLU  49           HN       GLU  49   8.345 -17.356  21.396
  392    HA   GLU  49           HA       GLU  49   7.637 -19.409  19.343
  393    HB2  GLU  49           HB1      GLU  49   5.615 -18.715  20.596
  394    HB3  GLU  49           HB2      GLU  49   5.952 -17.030  20.226
  395    HG2  GLU  49           HG1      GLU  49   5.643 -17.469  17.839
  396    HG3  GLU  49           HG2      GLU  49   5.362 -19.175  18.176
  397    H    ILE  50           HN       ILE  50   8.683 -19.068  17.532
  398    HA   ILE  50           HA       ILE  50   9.502 -16.282  16.869
  399    HB   ILE  50           HB       ILE  50  10.522 -18.941  15.778
  400   HG12  ILE  50          HG11      ILE  50  11.916 -16.970  17.599
  401   HG13  ILE  50          HG12      ILE  50  11.088 -18.410  18.169
  402   HG21  ILE  50          HG21      ILE  50  12.263 -17.568  14.708
  403   HG22  ILE  50          HG22      ILE  50  10.645 -17.123  14.117
  404   HG23  ILE  50          HG23      ILE  50  11.471 -16.091  15.307
  405   HD11  ILE  50          HD11      ILE  50  13.481 -18.793  17.976
  406   HD12  ILE  50          HD12      ILE  50  12.589 -19.820  16.828
  407   HD13  ILE  50          HD13      ILE  50  13.429 -18.361  16.251
  408    H    VAL  51           HN       VAL  51   8.469 -15.204  15.355
  409    HA   VAL  51           HA       VAL  51   6.832 -16.774  13.407
  410    HB   VAL  51           HB       VAL  51   6.087 -14.164  14.796
  411   HG11  VAL  51          HG11      VAL  51   3.942 -14.393  13.642
  412   HG12  VAL  51          HG12      VAL  51   5.296 -14.210  12.502
  413   HG13  VAL  51          HG13      VAL  51   4.565 -15.811  12.767
  414   HG21  VAL  51          HG21      VAL  51   4.294 -15.526  15.821
  415   HG22  VAL  51          HG22      VAL  51   4.936 -16.976  15.013
  416   HG23  VAL  51          HG23      VAL  51   5.903 -16.148  16.257
  417    H    ARG  52           HN       ARG  52   7.043 -16.261  11.325
  418    HA   ARG  52           HA       ARG  52   8.770 -13.963  10.622
  419    HB2  ARG  52           HB1      ARG  52   9.229 -16.146   9.574
  420    HB3  ARG  52           HB2      ARG  52   7.604 -16.184   8.907
  421    HG2  ARG  52           HG1      ARG  52   8.105 -14.216   7.530
  422    HG3  ARG  52           HG2      ARG  52   9.748 -14.160   8.214
  423    HD2  ARG  52           HD1      ARG  52   8.599 -16.521   6.748
  424    HD3  ARG  52           HD2      ARG  52   9.583 -15.244   5.996
  425    HE   ARG  52           HE       ARG  52  11.072 -16.124   8.150
  426   HH11  ARG  52          HH11      ARG  52   9.664 -17.597   5.288
  427   HH12  ARG  52          HH12      ARG  52  10.901 -18.827   5.159
  428   HH21  ARG  52          HH21      ARG  52  12.672 -17.726   7.972
  429   HH22  ARG  52          HH22      ARG  52  12.604 -18.901   6.678
  430    H    ILE  53           HN       ILE  53   8.013 -12.088   9.945
  431    HA   ILE  53           HA       ILE  53   5.113 -11.917   9.301
  432    HB   ILE  53           HB       ILE  53   7.096  -9.740  10.091
  433   HG12  ILE  53          HG11      ILE  53   4.780 -10.882  11.665
  434   HG13  ILE  53          HG12      ILE  53   6.449 -11.390  11.870
  435   HG21  ILE  53          HG21      ILE  53   5.108  -8.295  10.233
  436   HG22  ILE  53          HG22      ILE  53   5.340  -8.901   8.577
  437   HG23  ILE  53          HG23      ILE  53   4.094  -9.623   9.622
  438   HD11  ILE  53          HD11      ILE  53   5.817  -9.752  13.553
  439   HD12  ILE  53          HD12      ILE  53   7.085  -9.098  12.487
  440   HD13  ILE  53          HD13      ILE  53   5.393  -8.583  12.281
  441    H    PHE  54           HN       PHE  54   4.551 -11.852   7.256
  442    HA   PHE  54           HA       PHE  54   6.564 -11.066   5.236
  443    HB2  PHE  54           HB1      PHE  54   5.289 -13.161   4.903
  444    HB3  PHE  54           HB2      PHE  54   3.781 -12.262   4.928
  445    HD1  PHE  54           HD1      PHE  54   7.033 -11.543   3.225
  446    HD2  PHE  54           HD2      PHE  54   2.864 -12.385   2.818
  447    HE1  PHE  54           HE1      PHE  54   7.202 -11.191   0.784
  448    HE2  PHE  54           HE2      PHE  54   3.030 -12.037   0.376
  449    HZ   PHE  54           HZ       PHE  54   5.200 -11.438  -0.640
  450    H    SER  55           HN       SER  55   6.621  -9.156   4.300
  451    HA   SER  55           HA       SER  55   4.117  -7.564   4.131
  452    HB2  SER  55           HB1      SER  55   5.215  -6.757   6.140
  453    HB3  SER  55           HB2      SER  55   6.749  -6.606   5.296
  454    HG   SER  55           HG       SER  55   5.365  -4.698   5.573
  455    H    VAL  56           HN       VAL  56   3.951  -6.240   2.379
  456    HA   VAL  56           HA       VAL  56   6.257  -6.305   0.478
  457    HB   VAL  56           HB       VAL  56   3.290  -6.527  -0.187
  458   HG11  VAL  56          HG11      VAL  56   4.034  -6.817  -2.500
  459   HG12  VAL  56          HG12      VAL  56   4.482  -5.222  -1.851
  460   HG13  VAL  56          HG13      VAL  56   5.711  -6.500  -1.999
  461   HG21  VAL  56          HG21      VAL  56   3.907  -8.784  -0.992
  462   HG22  VAL  56          HG22      VAL  56   5.578  -8.522  -0.439
  463   HG23  VAL  56          HG23      VAL  56   4.251  -8.604   0.744
  464    H    ASN  57           HN       ASN  57   6.996  -4.368  -0.012
  465    HA   ASN  57           HA       ASN  57   7.115  -2.089  -0.308
  466    HB2  ASN  57           HB1      ASN  57   5.280  -2.790  -2.005
  467    HB3  ASN  57           HB2      ASN  57   4.146  -2.084  -0.862
  468   HD21  ASN  57          HD21      ASN  57   4.682   0.740  -2.933
  469   HD22  ASN  57          HD22      ASN  57   3.704  -0.674  -2.720
  470    H    LYS  58           HN       LYS  58   6.927  -2.881   2.300
  471    HA   LYS  58           HA       LYS  58   6.400  -2.148   4.416
  472    HB2  LYS  58           HB1      LYS  58   5.747   0.442   2.952
  473    HB3  LYS  58           HB2      LYS  58   5.938   0.283   4.693
  474    HG2  LYS  58           HG1      LYS  58   8.298  -0.451   4.330
  475    HG3  LYS  58           HG2      LYS  58   8.083  -0.158   2.598
  476    HD2  LYS  58           HD1      LYS  58   7.540   2.212   3.066
  477    HD3  LYS  58           HD2      LYS  58   7.760   1.918   4.797
  478    HE2  LYS  58           HE1      LYS  58  10.116   1.287   4.392
  479    HE3  LYS  58           HE2      LYS  58   9.900   1.572   2.664
  480    HZ1  LYS  58           HZ1      LYS  58  10.899   3.447   3.748
  481    HZ2  LYS  58           HZ2      LYS  58   9.416   3.869   3.162
  482    HZ3  LYS  58           HZ3      LYS  58   9.619   3.603   4.777
  483    H    GLU  59           HN       GLU  59   4.448  -3.667   3.240
  484    HA   GLU  59           HA       GLU  59   2.136  -2.624   4.766
  485    HB2  GLU  59           HB1      GLU  59   1.698  -1.989   2.406
  486    HB3  GLU  59           HB2      GLU  59   1.911  -3.662   1.911
  487    HG2  GLU  59           HG1      GLU  59  -0.038  -4.332   3.214
  488    HG3  GLU  59           HG2      GLU  59  -0.229  -2.686   3.814
  489    H    GLU  60           HN       GLU  60   1.672  -4.091   6.225
  490    HA   GLU  60           HA       GLU  60   2.769  -6.712   6.206
  491    HB2  GLU  60           HB1      GLU  60   2.022  -5.450   8.246
  492    HB3  GLU  60           HB2      GLU  60   0.352  -5.716   7.768
  493    HG2  GLU  60           HG1      GLU  60   0.622  -8.119   8.000
  494    HG3  GLU  60           HG2      GLU  60   2.336  -7.922   8.354
  495    H    VAL  61           HN       VAL  61   2.181  -8.560   5.320
  496    HA   VAL  61           HA       VAL  61  -0.452  -8.619   3.920
  497    HB   VAL  61           HB       VAL  61   2.081 -10.248   3.444
  498   HG11  VAL  61          HG11      VAL  61   0.934 -11.097   1.456
  499   HG12  VAL  61          HG12      VAL  61   0.094 -11.556   2.956
  500   HG13  VAL  61          HG13      VAL  61  -0.546 -10.238   1.944
  501   HG21  VAL  61          HG21      VAL  61   2.188  -8.959   1.334
  502   HG22  VAL  61          HG22      VAL  61   0.749  -8.036   1.827
  503   HG23  VAL  61          HG23      VAL  61   2.263  -7.884   2.750
  504    H    SER  62           HN       SER  62   1.817 -10.799   5.646
  505    HA   SER  62           HA       SER  62  -0.346 -12.023   7.145
  506    HB2  SER  62           HB1      SER  62  -0.292 -14.213   6.175
  507    HB3  SER  62           HB2      SER  62  -0.611 -13.069   4.880
  508    HG   SER  62           HG       SER  62   1.881 -14.183   5.571
  509    H    ARG  63           HN       ARG  63   0.514 -14.094   8.267
  510    HA   ARG  63           HA       ARG  63   3.422 -13.790   8.838
  511    HB2  ARG  63           HB1      ARG  63   1.239 -14.038  10.936
  512    HB3  ARG  63           HB2      ARG  63   2.967 -14.050  11.251
  513    HG2  ARG  63           HG1      ARG  63   3.114 -11.735  10.348
  514    HG3  ARG  63           HG2      ARG  63   1.343 -11.737  10.170
  515    HD2  ARG  63           HD1      ARG  63   1.183 -12.249  12.594
  516    HD3  ARG  63           HD2      ARG  63   2.942 -12.002  12.700
  517    HE   ARG  63           HE       ARG  63   1.682  -9.772  11.437
  518   HH11  ARG  63          HH11      ARG  63   2.153 -11.285  14.572
  519   HH12  ARG  63          HH12      ARG  63   1.991  -9.787  15.460
  520   HH21  ARG  63          HH21      ARG  63   1.474  -7.833  12.601
  521   HH22  ARG  63          HH22      ARG  63   1.606  -7.832  14.345
  522    H    GLU  64           HN       GLU  64   4.460 -15.642   9.659
  523    HA   GLU  64           HA       GLU  64   2.863 -18.123   9.850
  524    HB2  GLU  64           HB1      GLU  64   3.558 -17.979   7.465
  525    HB3  GLU  64           HB2      GLU  64   5.238 -17.840   7.964
  526    HG2  GLU  64           HG1      GLU  64   5.157 -20.078   8.947
  527    HG3  GLU  64           HG2      GLU  64   3.453 -20.220   8.521
  528    H    ILE  65           HN       ILE  65   3.560 -19.454  11.387
  529    HA   ILE  65           HA       ILE  65   5.649 -18.520  13.147
  530    HB   ILE  65           HB       ILE  65   4.056 -21.117  13.104
  531   HG12  ILE  65          HG11      ILE  65   3.783 -18.697  14.897
  532   HG13  ILE  65          HG12      ILE  65   2.808 -18.971  13.462
  533   HG21  ILE  65          HG21      ILE  65   4.864 -21.427  15.409
  534   HG22  ILE  65          HG22      ILE  65   6.216 -21.428  14.253
  535   HG23  ILE  65          HG23      ILE  65   5.895 -19.987  15.246
  536   HD11  ILE  65          HD11      ILE  65   1.625 -19.660  15.471
  537   HD12  ILE  65          HD12      ILE  65   1.954 -21.064  14.426
  538   HD13  ILE  65          HD13      ILE  65   2.941 -20.785  15.881
  539    H    VAL  66           HN       VAL  66   7.743 -18.856  13.055
  540    HA   VAL  66           HA       VAL  66   8.849 -20.672  11.058
  541    HB   VAL  66           HB       VAL  66  10.170 -18.938  13.189
  542   HG11  VAL  66          HG11      VAL  66  12.256 -19.320  11.969
  543   HG12  VAL  66          HG12      VAL  66  11.594 -20.827  12.644
  544   HG13  VAL  66          HG13      VAL  66  11.423 -20.478  10.907
  545   HG21  VAL  66          HG21      VAL  66  10.730 -17.498  11.256
  546   HG22  VAL  66          HG22      VAL  66   9.844 -18.603  10.178
  547   HG23  VAL  66          HG23      VAL  66   8.969 -17.687  11.429
  548    H    SER  67           HN       SER  67   8.931 -20.440  14.631
  549    HA   SER  67           HA       SER  67   9.034 -23.299  14.964
  550    HB2  SER  67           HB1      SER  67  11.326 -22.984  14.143
  551    HB3  SER  67           HB2      SER  67  11.620 -21.759  15.367
  552    HG   SER  67           HG       SER  67  11.207 -23.332  16.934
  553    H    THR  68           HN       THR  68   8.694 -23.919  17.055
  554    HA   THR  68           HA       THR  68   8.690 -21.733  19.092
  555    HB   THR  68           HB       THR  68   6.678 -22.739  20.108
  556    HG1  THR  68           HG1      THR  68   6.173 -24.706  19.547
  557   HG21  THR  68          HG21      THR  68   5.054 -22.138  18.356
  558   HG22  THR  68          HG22      THR  68   6.391 -20.965  18.413
  559   HG23  THR  68          HG23      THR  68   6.344 -22.199  17.133
  560    H    SER  69           HN       SER  69   9.070 -22.340  21.254
  561    HA   SER  69           HA       SER  69   9.680 -25.100  21.924
  562    HB2  SER  69           HB1      SER  69  11.749 -24.530  20.747
  563    HB3  SER  69           HB2      SER  69  11.946 -23.088  21.732
  564    HG   SER  69           HG       SER  69  12.123 -25.781  22.447
  565    H    THR  70           HN       THR  70   9.128 -25.393  23.960
  566    HA   THR  70           HA       THR  70   9.000 -22.967  25.702
  567    HB   THR  70           HB       THR  70   7.232 -25.452  25.751
  568    HG1  THR  70           HG1      THR  70   5.724 -24.147  24.830
  569   HG21  THR  70          HG21      THR  70   5.940 -24.207  27.440
  570   HG22  THR  70          HG22      THR  70   7.606 -24.493  27.997
  571   HG23  THR  70          HG23      THR  70   7.134 -22.890  27.389
  572    H    THR  71           HN       THR  71  10.405 -22.924  27.291
  573    HA   THR  71           HA       THR  71  11.487 -25.446  28.379
  574    HB   THR  71           HB       THR  71  12.094 -22.539  29.067
  575    HG1  THR  71           HG1      THR  71  12.827 -23.251  26.995
  576   HG21  THR  71          HG21      THR  71  14.011 -23.464  30.308
  577   HG22  THR  71          HG22      THR  71  12.473 -24.048  30.986
  578   HG23  THR  71          HG23      THR  71  13.452 -25.114  29.952
  579    H    ALA  72           HN       ALA  72  10.760 -26.446  30.108
  580    HA   ALA  72           HA       ALA  72   8.368 -25.534  31.400
  581    HB1  ALA  72           HB1      ALA  72   8.678 -27.503  32.865
  582    HB2  ALA  72           HB2      ALA  72   8.892 -27.919  31.147
  583    HB3  ALA  72           HB3      ALA  72  10.313 -27.730  32.201
  584    HA   PRO  73           HA       PRO  73  10.057 -23.055  34.565
  585    HB2  PRO  73           HB1      PRO  73   7.935 -22.980  36.294
  586    HB3  PRO  73           HB2      PRO  73   7.898 -22.151  34.733
  587    HG2  PRO  73           HG1      PRO  73   6.767 -24.885  35.471
  588    HG3  PRO  73           HG2      PRO  73   5.970 -23.572  34.600
  589    HD2  PRO  73           HD1      PRO  73   7.132 -25.655  33.277
  590    HD3  PRO  73           HD2      PRO  73   7.145 -23.977  32.599
  591    H    SER  74           HN       SER  74  10.569 -23.138  36.915
  592    HA   SER  74           HA       SER  74  10.743 -25.959  37.892
  593    HB2  SER  74           HB1      SER  74  12.930 -25.180  37.139
  594    HB3  SER  74           HB2      SER  74  12.787 -23.727  38.116
  595    HG   SER  74           HG       SER  74  13.402 -24.788  39.747
  596    HA   PRO  75           HA       PRO  75   8.319 -23.952  41.138
  597    HB2  PRO  75           HB1      PRO  75   8.356 -26.885  41.929
  598    HB3  PRO  75           HB2      PRO  75   7.004 -25.745  41.948
  599    HG2  PRO  75           HG1      PRO  75   7.130 -27.515  39.966
  600    HG3  PRO  75           HG2      PRO  75   6.701 -25.844  39.589
  601    HD2  PRO  75           HD1      PRO  75   9.387 -27.249  39.285
  602    HD3  PRO  75           HD2      PRO  75   8.553 -26.127  38.137
  603    H    ARG  76           HN       ARG  76   8.941 -23.425  43.225
  604    HA   ARG  76           HA       ARG  76  11.741 -24.128  43.870
  605    HB2  ARG  76           HB1      ARG  76  11.030 -21.742  43.805
  606    HB3  ARG  76           HB2      ARG  76   9.902 -22.055  45.116
  607    HG2  ARG  76           HG1      ARG  76  11.654 -22.435  46.672
  608    HG3  ARG  76           HG2      ARG  76  12.877 -22.520  45.381
  609    HD2  ARG  76           HD1      ARG  76  13.084 -20.411  46.393
  610    HD3  ARG  76           HD2      ARG  76  12.285 -20.153  44.825
  611    HE   ARG  76           HE       ARG  76  10.319 -19.564  45.916
  612   HH11  ARG  76          HH11      ARG  76  12.740 -20.657  48.215
  613   HH12  ARG  76          HH12      ARG  76  11.875 -20.045  49.607
  614   HH21  ARG  76          HH21      ARG  76   9.205 -18.775  47.730
  615   HH22  ARG  76          HH22      ARG  76   9.874 -18.980  49.334
  616    H    ILE  77           HN       ILE  77  12.257 -25.580  45.338
  617    HA   ILE  77           HA       ILE  77  10.228 -26.229  47.436
  618    HB   ILE  77           HB       ILE  77  12.145 -28.142  46.033
  619   HG12  ILE  77          HG11      ILE  77   9.122 -28.043  45.953
  620   HG13  ILE  77          HG12      ILE  77  10.167 -27.392  44.700
  621   HG21  ILE  77          HG21      ILE  77  11.021 -29.881  47.365
  622   HG22  ILE  77          HG22      ILE  77  11.834 -28.697  48.415
  623   HG23  ILE  77          HG23      ILE  77  10.069 -28.631  48.201
  624   HD11  ILE  77          HD11      ILE  77   9.349 -29.602  44.100
  625   HD12  ILE  77          HD12      ILE  77  11.117 -29.625  44.314
  626   HD13  ILE  77          HD13      ILE  77  10.057 -30.285  45.582
  627    H    VAL  78           HN       VAL  78  10.853 -25.929  49.445
  628    HA   VAL  78           HA       VAL  78  13.792 -25.875  49.996
  629    HB   VAL  78           HB       VAL  78  11.618 -24.133  51.235
  630   HG11  VAL  78          HG11      VAL  78  13.455 -23.017  52.404
  631   HG12  VAL  78          HG12      VAL  78  13.316 -24.731  52.863
  632   HG13  VAL  78          HG13      VAL  78  14.598 -24.210  51.744
  633   HG21  VAL  78          HG21      VAL  78  12.827 -22.285  50.118
  634   HG22  VAL  78          HG22      VAL  78  13.945 -23.462  49.387
  635   HG23  VAL  78          HG23      VAL  78  12.224 -23.468  48.934
  636    H    GLU  79           HN       GLU  79  14.515 -27.081  51.630
  637    HA   GLU  79           HA       GLU  79  12.533 -28.666  53.147
  638    HB2  GLU  79           HB1      GLU  79  15.570 -28.836  53.001
  639    HB3  GLU  79           HB2      GLU  79  14.552 -29.923  53.934
  640    HG2  GLU  79           HG1      GLU  79  13.457 -30.685  51.872
  641    HG3  GLU  79           HG2      GLU  79  14.452 -29.578  50.929
  642    H    LYS  80           HN       LYS  80  12.308 -28.681  55.341
  643    HA   LYS  80           HA       LYS  80  13.839 -26.590  56.829
  644    HB2  LYS  80           HB1      LYS  80  11.515 -25.837  56.423
  645    HB3  LYS  80           HB2      LYS  80  10.899 -27.309  57.160
  646    HG2  LYS  80           HG1      LYS  80  11.891 -26.662  59.317
  647    HG3  LYS  80           HG2      LYS  80  12.539 -25.190  58.579
  648    HD2  LYS  80           HD1      LYS  80  10.253 -24.435  58.045
  649    HD3  LYS  80           HD2      LYS  80   9.591 -25.919  58.745
  650    HE2  LYS  80           HE1      LYS  80  10.558 -25.312  60.942
  651    HE3  LYS  80           HE2      LYS  80  11.212 -23.828  60.244
  652    HZ1  LYS  80           HZ1      LYS  80   9.148 -23.436  61.373
  653    HZ2  LYS  80           HZ2      LYS  80   8.967 -23.133  59.762
  654    HZ3  LYS  80           HZ3      LYS  80   8.355 -24.519  60.415
  655    H    GLY  81           HN       GLY  81  15.057 -27.410  58.349
  656    HA2  GLY  81           HA1      GLY  81  15.019 -30.169  59.071
  657    HA3  GLY  81           HA2      GLY  81  15.920 -28.910  59.894
  658    H    THR  82           HN       THR  82  14.200 -31.266  60.798
  659    HA   THR  82           HA       THR  82  12.885 -29.805  62.986
  660    HB   THR  82           HB       THR  82  11.117 -29.999  61.198
  661    HG1  THR  82           HG1      THR  82   9.706 -30.308  62.769
  662   HG21  THR  82          HG21      THR  82  10.164 -32.229  60.764
  663   HG22  THR  82          HG22      THR  82  11.859 -32.147  60.229
  664   HG23  THR  82          HG23      THR  82  11.445 -32.973  61.749
  665    H    LYS  83           HN       LYS  83  11.486 -31.816  64.163
  666    HA   LYS  83           HA       LYS  83  13.502 -33.981  64.536
  667    HB2  LYS  83           HB1      LYS  83  12.180 -32.339  66.732
  668    HB3  LYS  83           HB2      LYS  83  13.093 -33.815  67.012
  669    HG2  LYS  83           HG1      LYS  83  15.117 -32.752  66.097
  670    HG3  LYS  83           HG2      LYS  83  14.201 -31.270  65.790
  671    HD2  LYS  83           HD1      LYS  83  13.726 -31.044  68.197
  672    HD3  LYS  83           HD2      LYS  83  14.597 -32.551  68.520
  673    HE2  LYS  83           HE1      LYS  83  16.681 -31.563  67.697
  674    HE3  LYS  83           HE2      LYS  83  15.834 -30.078  67.256
  675    HZ1  LYS  83           HZ1      LYS  83  16.951 -29.866  69.352
  676    HZ2  LYS  83           HZ2      LYS  83  15.321 -29.749  69.577
  677    HZ3  LYS  83           HZ3      LYS  83  16.114 -31.136  69.989
  678    H    LYS  84           HN       LYS  84  11.940 -35.099  63.151
  679    HA   LYS  84           HA       LYS  84   9.718 -36.195  64.817
  680    HB2  LYS  84           HB1      LYS  84   9.632 -35.491  61.857
  681    HB3  LYS  84           HB2      LYS  84   8.397 -36.428  62.687
  682    HG2  LYS  84           HG1      LYS  84   7.976 -34.486  64.191
  683    HG3  LYS  84           HG2      LYS  84   9.156 -33.550  63.262
  684    HD2  LYS  84           HD1      LYS  84   7.812 -33.846  61.221
  685    HD3  LYS  84           HD2      LYS  84   6.647 -34.833  62.116
  686    HE2  LYS  84           HE1      LYS  84   6.149 -32.903  63.587
  687    HE3  LYS  84           HE2      LYS  84   7.304 -31.918  62.685
  688    HZ1  LYS  84           HZ1      LYS  84   5.066 -31.557  61.943
  689    HZ2  LYS  84           HZ2      LYS  84   5.953 -32.232  60.727
  690    HZ3  LYS  84           HZ3      LYS  84   4.874 -33.151  61.570
  Start of MODEL    3
    1    H1   GLY   1          1HN       GLY   1  -0.334  -0.943  -0.000
    2    H2   GLY   1          2HN       GLY   1  -0.334   0.471   0.816
    3    H3   GLY   1          3HN       GLY   1  -0.334   0.471  -0.816
    4    HA2  GLY   1           HA1      GLY   1   1.822  -0.535   0.877
    5    HA3  GLY   1           HA2      GLY   1   1.822  -0.535  -0.876
    6    H    SER   2           HN       SER   2   3.895   0.703   0.142
    7    HA   SER   2           HA       SER   2   3.216   3.600   0.351
    8    HB2  SER   2           HB1      SER   2   5.263   3.901   1.518
    9    HB3  SER   2           HB2      SER   2   4.512   2.472   2.211
   10    HG   SER   2           HG       SER   2   6.514   1.876   1.838
   11    H    HIS   3           HN       HIS   3   5.377   4.897  -0.347
   12    HA   HIS   3           HA       HIS   3   5.363   4.640  -3.245
   13    HB2  HIS   3           HB1      HIS   3   6.769   6.615  -3.235
   14    HB3  HIS   3           HB2      HIS   3   5.446   6.839  -2.100
   15    HD2  HIS   3           HD2      HIS   3   9.229   7.123  -2.167
   16    HE1  HIS   3           HE1      HIS   3   8.117   6.918   1.943
   17    HE2  HIS   3           HE2      HIS   3  10.001   7.426   0.301
   18    H    ASN   4           HN       ASN   4   7.100   3.080  -0.839
   19    HA   ASN   4           HA       ASN   4   9.569   2.837  -2.445
   20    HB2  ASN   4           HB1      ASN   4   8.762   1.766   0.275
   21    HB3  ASN   4           HB2      ASN   4  10.284   1.365  -0.509
   22   HD21  ASN   4          HD21      ASN   4  10.400   4.411   1.808
   23   HD22  ASN   4          HD22      ASN   4   9.545   2.913   1.965
   24    H    LYS   5           HN       LYS   5   6.606   1.520  -2.646
   25    HA   LYS   5           HA       LYS   5   7.525  -1.227  -3.230
   26    HB2  LYS   5           HB1      LYS   5   4.763   0.022  -3.519
   27    HB3  LYS   5           HB2      LYS   5   5.146  -1.685  -3.690
   28    HG2  LYS   5           HG1      LYS   5   5.473  -0.069  -1.144
   29    HG3  LYS   5           HG2      LYS   5   4.130  -1.160  -1.513
   30    HD2  LYS   5           HD1      LYS   5   5.770  -3.039  -1.735
   31    HD3  LYS   5           HD2      LYS   5   7.059  -1.930  -1.245
   32    HE2  LYS   5           HE1      LYS   5   5.866  -1.520   0.899
   33    HE3  LYS   5           HE2      LYS   5   4.618  -2.670   0.412
   34    HZ1  LYS   5           HZ1      LYS   5   6.245  -3.683   1.832
   35    HZ2  LYS   5           HZ2      LYS   5   6.303  -4.378   0.336
   36    HZ3  LYS   5           HZ3      LYS   5   7.468  -3.304   0.793
   37    HA   PRO   6           HA       PRO   6   8.122  -0.528  -7.430
   38    HB2  PRO   6           HB1      PRO   6   7.793  -3.029  -8.487
   39    HB3  PRO   6           HB2      PRO   6   9.132  -2.647  -7.397
   40    HG2  PRO   6           HG1      PRO   6   6.454  -3.953  -6.747
   41    HG3  PRO   6           HG2      PRO   6   8.071  -4.486  -6.279
   42    HD2  PRO   6           HD1      PRO   6   6.503  -3.030  -4.584
   43    HD3  PRO   6           HD2      PRO   6   8.302  -2.836  -4.615
   44    H    GLU   7           HN       GLU   7   5.947   0.737  -7.214
   45    HA   GLU   7           HA       GLU   7   4.319  -0.172  -9.498
   46    HB2  GLU   7           HB1      GLU   7   3.125  -1.058  -7.501
   47    HB3  GLU   7           HB2      GLU   7   3.064   0.562  -6.821
   48    HG2  GLU   7           HG1      GLU   7   1.654   1.323  -8.651
   49    HG3  GLU   7           HG2      GLU   7   1.785  -0.247  -9.441
   50    H    LEU   8           HN       LEU   8   3.724   1.441 -10.794
   51    HA   LEU   8           HA       LEU   8   3.987   4.219  -9.724
   52    HB2  LEU   8           HB1      LEU   8   4.746   3.182 -12.478
   53    HB3  LEU   8           HB2      LEU   8   4.735   4.885 -12.008
   54    HG   LEU   8           HG       LEU   8   6.500   2.768 -10.730
   55   HD11  LEU   8          HD11      LEU   8   8.305   3.783 -12.048
   56   HD12  LEU   8          HD12      LEU   8   7.051   3.072 -13.089
   57   HD13  LEU   8          HD13      LEU   8   7.121   4.835 -12.859
   58   HD21  LEU   8          HD21      LEU   8   7.671   4.745  -9.817
   59   HD22  LEU   8          HD22      LEU   8   6.478   5.812 -10.597
   60   HD23  LEU   8          HD23      LEU   8   5.969   4.710  -9.295
   61    H    LEU   9           HN       LEU   9   1.625   3.639  -9.304
   62    HA   LEU   9           HA       LEU   9  -0.017   3.992 -11.757
   63    HB2  LEU   9           HB1      LEU   9  -0.668   2.148 -10.302
   64    HB3  LEU   9           HB2      LEU   9  -0.754   3.230  -8.909
   65    HG   LEU   9           HG       LEU   9  -2.657   4.424 -10.000
   66   HD11  LEU   9          HD11      LEU   9  -3.733   3.381 -11.944
   67   HD12  LEU   9          HD12      LEU   9  -2.082   3.927 -12.320
   68   HD13  LEU   9          HD13      LEU   9  -2.407   2.199 -12.044
   69   HD21  LEU   9          HD21      LEU   9  -4.287   2.604  -9.622
   70   HD22  LEU   9          HD22      LEU   9  -2.968   1.409  -9.689
   71   HD23  LEU   9          HD23      LEU   9  -3.022   2.602  -8.369
   72    H    TYR  10           HN       TYR  10  -0.379   6.016 -12.323
   73    HA   TYR  10           HA       TYR  10  -0.934   7.987 -10.143
   74    HB2  TYR  10           HB1      TYR  10   0.409   8.429 -12.840
   75    HB3  TYR  10           HB2      TYR  10  -0.085   9.724 -11.758
   76    HD1  TYR  10           HD1      TYR  10   2.259   6.926 -12.249
   77    HD2  TYR  10           HD2      TYR  10   1.138  10.225  -9.745
   78    HE1  TYR  10           HE1      TYR  10   4.423   6.763 -11.066
   79    HE2  TYR  10           HE2      TYR  10   3.302  10.062  -8.562
   80    HH   TYR  10           HH       TYR  10   5.223   8.973  -8.382
   81    H    ARG  11           HN       ARG  11  -3.063   8.158 -10.027
   82    HA   ARG  11           HA       ARG  11  -4.687   8.079 -12.482
   83    HB2  ARG  11           HB1      ARG  11  -5.475   6.912 -10.464
   84    HB3  ARG  11           HB2      ARG  11  -5.473   8.423  -9.567
   85    HG2  ARG  11           HG1      ARG  11  -7.237   9.312 -11.006
   86    HG3  ARG  11           HG2      ARG  11  -7.220   7.812 -11.965
   87    HD2  ARG  11           HD1      ARG  11  -7.884   6.540 -10.033
   88    HD3  ARG  11           HD2      ARG  11  -7.828   8.003  -9.024
   89    HE   ARG  11           HE       ARG  11  -9.551   8.490 -11.203
   90   HH11  ARG  11          HH11      ARG  11  -9.380   6.494  -8.317
   91   HH12  ARG  11          HH12      ARG  11 -11.116   6.420  -8.114
   92   HH21  ARG  11          HH21      ARG  11 -11.802   8.387 -10.929
   93   HH22  ARG  11          HH22      ARG  11 -12.488   7.491  -9.592
   94    H    GLU  12           HN       GLU  12  -4.592   9.882 -13.669
   95    HA   GLU  12           HA       GLU  12  -4.851  12.491 -12.238
   96    HB2  GLU  12           HB1      GLU  12  -2.762  12.225 -13.548
   97    HB3  GLU  12           HB2      GLU  12  -3.704  11.895 -14.996
   98    HG2  GLU  12           HG1      GLU  12  -4.631  14.140 -14.960
   99    HG3  GLU  12           HG2      GLU  12  -3.819  14.483 -13.434
  100    H    GLU  13           HN       GLU  13  -6.704  13.511 -12.385
  101    HA   GLU  13           HA       GLU  13  -8.393  13.025 -14.799
  102    HB2  GLU  13           HB1      GLU  13  -9.306  13.100 -11.895
  103    HB3  GLU  13           HB2      GLU  13 -10.394  13.127 -13.275
  104    HG2  GLU  13           HG1      GLU  13  -9.488  10.922 -13.988
  105    HG3  GLU  13           HG2      GLU  13  -8.490  10.895 -12.535
  106    H    THR  14           HN       THR  14  -9.626  14.723 -15.532
  107    HA   THR  14           HA       THR  14  -8.864  17.373 -14.430
  108    HB   THR  14           HB       THR  14 -10.249  16.630 -17.043
  109    HG1  THR  14           HG1      THR  14  -8.112  17.567 -17.767
  110   HG21  THR  14          HG21      THR  14  -9.889  18.992 -17.642
  111   HG22  THR  14          HG22      THR  14 -10.938  18.852 -16.211
  112   HG23  THR  14          HG23      THR  14  -9.229  19.307 -16.020
  113    H    ILE  15           HN       ILE  15 -10.142  18.359 -13.061
  114    HA   ILE  15           HA       ILE  15 -13.016  17.625 -12.992
  115    HB   ILE  15           HB       ILE  15 -11.319  19.253 -11.052
  116   HG12  ILE  15          HG11      ILE  15 -12.517  16.500 -10.694
  117   HG13  ILE  15          HG12      ILE  15 -10.863  16.780 -11.216
  118   HG21  ILE  15          HG21      ILE  15 -13.282  19.130  -9.571
  119   HG22  ILE  15          HG22      ILE  15 -13.668  20.001 -11.073
  120   HG23  ILE  15          HG23      ILE  15 -14.206  18.319 -10.857
  121   HD11  ILE  15          HD11      ILE  15 -10.966  16.335  -8.828
  122   HD12  ILE  15          HD12      ILE  15 -10.397  17.995  -9.132
  123   HD13  ILE  15          HD13      ILE  15 -12.072  17.710  -8.602
  124    H    GLU  16           HN       GLU  16 -14.505  18.830 -13.907
  125    HA   GLU  16           HA       GLU  16 -13.911  21.733 -14.301
  126    HB2  GLU  16           HB1      GLU  16 -15.350  19.851 -16.216
  127    HB3  GLU  16           HB2      GLU  16 -15.240  21.594 -16.417
  128    HG2  GLU  16           HG1      GLU  16 -12.777  21.410 -16.552
  129    HG3  GLU  16           HG2      GLU  16 -12.913  19.660 -16.393
  130    H    THR  17           HN       THR  17 -15.183  22.894 -13.061
  131    HA   THR  17           HA       THR  17 -17.988  21.941 -12.655
  132    HB   THR  17           HB       THR  17 -16.263  23.657 -10.817
  133    HG1  THR  17           HG1      THR  17 -17.275  20.993 -10.597
  134   HG21  THR  17          HG21      THR  17 -18.167  23.502  -9.261
  135   HG22  THR  17          HG22      THR  17 -18.642  24.322 -10.768
  136   HG23  THR  17          HG23      THR  17 -19.107  22.627 -10.492
  137    H    LYS  18           HN       LYS  18 -19.497  23.066 -13.624
  138    HA   LYS  18           HA       LYS  18 -18.913  25.537 -14.982
  139    HB2  LYS  18           HB1      LYS  18 -21.539  24.123 -14.382
  140    HB3  LYS  18           HB2      LYS  18 -21.415  25.568 -15.377
  141    HG2  LYS  18           HG1      LYS  18 -19.951  24.350 -16.957
  142    HG3  LYS  18           HG2      LYS  18 -20.105  22.896 -15.961
  143    HD2  LYS  18           HD1      LYS  18 -22.562  22.928 -16.306
  144    HD3  LYS  18           HD2      LYS  18 -22.393  24.369 -17.320
  145    HE2  LYS  18           HE1      LYS  18 -20.991  23.108 -18.905
  146    HE3  LYS  18           HE2      LYS  18 -21.109  21.671 -17.886
  147    HZ1  LYS  18           HZ1      LYS  18 -22.667  21.604 -19.690
  148    HZ2  LYS  18           HZ2      LYS  18 -23.480  21.675 -18.257
  149    HZ3  LYS  18           HZ3      LYS  18 -23.369  23.016 -19.210
  150    H    ILE  19           HN       ILE  19 -19.533  27.620 -14.581
  151    HA   ILE  19           HA       ILE  19 -20.268  28.138 -11.731
  152    HB   ILE  19           HB       ILE  19 -18.576  29.828 -13.623
  153   HG12  ILE  19          HG11      ILE  19 -17.767  28.364 -11.102
  154   HG13  ILE  19          HG12      ILE  19 -17.512  27.746 -12.726
  155   HG21  ILE  19          HG21      ILE  19 -18.217  31.266 -11.658
  156   HG22  ILE  19          HG22      ILE  19 -19.939  31.210 -12.103
  157   HG23  ILE  19          HG23      ILE  19 -19.348  30.267 -10.715
  158   HD11  ILE  19          HD11      ILE  19 -15.496  28.792 -11.860
  159   HD12  ILE  19          HD12      ILE  19 -16.116  29.695 -13.264
  160   HD13  ILE  19          HD13      ILE  19 -16.372  30.321 -11.617
  161    H    ASP  20           HN       ASP  20 -22.162  29.029 -11.379
  162    HA   ASP  20           HA       ASP  20 -23.860  29.868 -13.545
  163    HB2  ASP  20           HB1      ASP  20 -24.102  30.132 -10.526
  164    HB3  ASP  20           HB2      ASP  20 -25.352  30.676 -11.636
  165    H    PHE  21           HN       PHE  21 -24.848  31.944 -13.838
  166    HA   PHE  21           HA       PHE  21 -23.071  34.193 -12.989
  167    HB2  PHE  21           HB1      PHE  21 -23.421  35.240 -15.171
  168    HB3  PHE  21           HB2      PHE  21 -22.711  33.647 -15.375
  169    HD1  PHE  21           HD1      PHE  21 -25.757  35.663 -15.779
  170    HD2  PHE  21           HD2      PHE  21 -23.929  31.856 -16.428
  171    HE1  PHE  21           HE1      PHE  21 -27.587  35.050 -17.324
  172    HE2  PHE  21           HE2      PHE  21 -25.756  31.240 -17.976
  173    HZ   PHE  21           HZ       PHE  21 -27.586  32.838 -18.422
  174    H    GLN  22           HN       GLN  22 -24.111  36.330 -13.073
  175    HA   GLN  22           HA       GLN  22 -26.851  36.067 -11.960
  176    HB2  GLN  22           HB1      GLN  22 -24.874  38.381 -11.830
  177    HB3  GLN  22           HB2      GLN  22 -26.447  38.342 -11.045
  178    HG2  GLN  22           HG1      GLN  22 -24.174  36.428 -10.473
  179    HG3  GLN  22           HG2      GLN  22 -24.605  37.863  -9.501
  180   HE21  GLN  22          HE21      GLN  22 -26.252  34.387  -8.612
  181   HE22  GLN  22          HE22      GLN  22 -24.765  34.632  -9.465
  182    H    GLU  23           HN       GLU  23 -28.417  37.790 -12.405
  183    HA   GLU  23           HA       GLU  23 -28.120  38.855 -15.180
  184    HB2  GLU  23           HB1      GLU  23 -29.637  36.888 -15.158
  185    HB3  GLU  23           HB2      GLU  23 -30.632  37.664 -13.935
  186    HG2  GLU  23           HG1      GLU  23 -31.204  39.454 -15.497
  187    HG3  GLU  23           HG2      GLU  23 -30.153  38.744 -16.721
  188    H    GLU  24           HN       GLU  24 -28.751  40.901 -15.542
  189    HA   GLU  24           HA       GLU  24 -30.317  42.304 -13.456
  190    HB2  GLU  24           HB1      GLU  24 -27.941  42.657 -12.837
  191    HB3  GLU  24           HB2      GLU  24 -27.605  43.275 -14.448
  192    HG2  GLU  24           HG1      GLU  24 -29.096  45.168 -14.069
  193    HG3  GLU  24           HG2      GLU  24 -29.533  44.533 -12.484
  194    H    ILE  25           HN       ILE  25 -31.741  43.692 -14.262
  195    HA   ILE  25           HA       ILE  25 -31.445  44.434 -17.141
  196    HB   ILE  25           HB       ILE  25 -33.974  44.144 -15.464
  197   HG12  ILE  25          HG11      ILE  25 -33.043  42.536 -17.851
  198   HG13  ILE  25          HG12      ILE  25 -32.840  42.030 -16.181
  199   HG21  ILE  25          HG21      ILE  25 -35.164  44.622 -17.565
  200   HG22  ILE  25          HG22      ILE  25 -34.149  45.999 -17.078
  201   HG23  ILE  25          HG23      ILE  25 -33.611  44.916 -18.383
  202   HD11  ILE  25          HD11      ILE  25 -34.787  40.977 -17.187
  203   HD12  ILE  25          HD12      ILE  25 -35.276  42.061 -15.862
  204   HD13  ILE  25          HD13      ILE  25 -35.482  42.572 -17.555
  205    H    GLN  26           HN       GLN  26 -31.164  46.485 -17.642
  206    HA   GLN  26           HA       GLN  26 -31.781  48.518 -15.538
  207    HB2  GLN  26           HB1      GLN  26 -29.433  48.473 -17.477
  208    HB3  GLN  26           HB2      GLN  26 -29.815  49.799 -16.389
  209    HG2  GLN  26           HG1      GLN  26 -29.475  48.318 -14.456
  210    HG3  GLN  26           HG2      GLN  26 -29.059  46.987 -15.572
  211   HE21  GLN  26          HE21      GLN  26 -25.932  48.576 -14.307
  212   HE22  GLN  26          HE22      GLN  26 -27.310  47.823 -13.575
  213    H    GLU  27           HN       GLU  27 -32.378  50.602 -16.233
  214    HA   GLU  27           HA       GLU  27 -33.904  50.513 -18.753
  215    HB2  GLU  27           HB1      GLU  27 -33.770  52.572 -16.514
  216    HB3  GLU  27           HB2      GLU  27 -34.787  52.732 -17.939
  217    HG2  GLU  27           HG1      GLU  27 -35.993  50.684 -17.320
  218    HG3  GLU  27           HG2      GLU  27 -34.964  50.502 -15.901
  219    H    ASN  28           HN       ASN  28 -33.715  51.956 -20.445
  220    HA   ASN  28           HA       ASN  28 -31.290  53.685 -20.436
  221    HB2  ASN  28           HB1      ASN  28 -30.792  51.487 -21.548
  222    HB3  ASN  28           HB2      ASN  28 -32.056  51.839 -22.719
  223   HD21  ASN  28          HD21      ASN  28 -28.847  52.857 -24.197
  224   HD22  ASN  28          HD22      ASN  28 -29.570  51.389 -23.629
  225    HA   PRO  29           HA       PRO  29 -34.718  56.275 -21.575
  226    HB2  PRO  29           HB1      PRO  29 -32.444  58.285 -21.410
  227    HB3  PRO  29           HB2      PRO  29 -34.080  58.400 -20.747
  228    HG2  PRO  29           HG1      PRO  29 -32.083  57.806 -19.089
  229    HG3  PRO  29           HG2      PRO  29 -33.606  56.923 -18.942
  230    HD2  PRO  29           HD1      PRO  29 -31.013  56.065 -20.288
  231    HD3  PRO  29           HD2      PRO  29 -32.117  55.104 -19.223
  232    H    ASP  30           HN       ASP  30 -31.562  55.894 -23.037
  233    HA   ASP  30           HA       ASP  30 -31.996  57.675 -25.275
  234    HB2  ASP  30           HB1      ASP  30 -29.989  55.444 -24.786
  235    HB3  ASP  30           HB2      ASP  30 -29.985  56.443 -26.232
  236    H    LEU  31           HN       LEU  31 -32.985  54.467 -24.527
  237    HA   LEU  31           HA       LEU  31 -33.583  53.894 -27.379
  238    HB2  LEU  31           HB1      LEU  31 -33.889  52.173 -24.892
  239    HB3  LEU  31           HB2      LEU  31 -34.234  51.651 -26.544
  240    HG   LEU  31           HG       LEU  31 -31.499  52.468 -25.497
  241   HD11  LEU  31          HD11      LEU  31 -30.994  50.072 -25.665
  242   HD12  LEU  31          HD12      LEU  31 -32.304  50.388 -24.502
  243   HD13  LEU  31          HD13      LEU  31 -32.684  49.747 -26.119
  244   HD21  LEU  31          HD21      LEU  31 -30.717  51.567 -27.662
  245   HD22  LEU  31          HD22      LEU  31 -32.403  51.263 -28.145
  246   HD23  LEU  31          HD23      LEU  31 -31.834  52.932 -27.902
  247    H    ALA  32           HN       ALA  32 -35.664  53.393 -28.107
  248    HA   ALA  32           HA       ALA  32 -37.755  55.000 -27.019
  249    HB1  ALA  32           HB1      ALA  32 -39.207  53.832 -28.646
  250    HB2  ALA  32           HB2      ALA  32 -37.677  54.357 -29.387
  251    HB3  ALA  32           HB3      ALA  32 -37.911  52.651 -28.942
  252    H    GLU  33           HN       GLU  33 -39.576  54.543 -25.853
  253    HA   GLU  33           HA       GLU  33 -39.212  52.841 -23.657
  254    HB2  GLU  33           HB1      GLU  33 -40.828  54.745 -23.762
  255    HB3  GLU  33           HB2      GLU  33 -41.864  53.793 -24.816
  256    HG2  GLU  33           HG1      GLU  33 -42.183  52.139 -23.035
  257    HG3  GLU  33           HG2      GLU  33 -41.112  53.057 -21.978
  258    H    GLY  34           HN       GLY  34 -39.204  50.733 -23.430
  259    HA2  GLY  34           HA1      GLY  34 -40.448  48.653 -23.455
  260    HA3  GLY  34           HA2      GLY  34 -41.189  49.127 -24.972
  261    H    THR  35           HN       THR  35 -38.214  50.126 -25.555
  262    HA   THR  35           HA       THR  35 -37.560  47.933 -27.272
  263    HB   THR  35           HB       THR  35 -35.822  50.249 -26.315
  264    HG1  THR  35           HG1      THR  35 -37.667  50.900 -27.494
  265   HG21  THR  35          HG21      THR  35 -34.457  49.752 -28.305
  266   HG22  THR  35          HG22      THR  35 -34.479  48.367 -27.187
  267   HG23  THR  35          HG23      THR  35 -35.478  48.339 -28.658
  268    H    VAL  36           HN       VAL  36 -36.441  46.136 -26.991
  269    HA   VAL  36           HA       VAL  36 -34.949  45.833 -24.421
  270    HB   VAL  36           HB       VAL  36 -36.155  43.697 -26.233
  271   HG11  VAL  36          HG11      VAL  36 -35.551  42.130 -24.453
  272   HG12  VAL  36          HG12      VAL  36 -34.121  42.916 -25.163
  273   HG13  VAL  36          HG13      VAL  36 -34.731  43.444 -23.576
  274   HG21  VAL  36          HG21      VAL  36 -37.712  43.344 -24.343
  275   HG22  VAL  36          HG22      VAL  36 -36.957  44.699 -23.470
  276   HG23  VAL  36          HG23      VAL  36 -37.844  44.998 -24.984
  277    H    ARG  37           HN       ARG  37 -32.822  45.812 -24.544
  278    HA   ARG  37           HA       ARG  37 -31.540  44.610 -26.940
  279    HB2  ARG  37           HB1      ARG  37 -31.623  47.072 -27.286
  280    HB3  ARG  37           HB2      ARG  37 -30.766  47.306 -25.769
  281    HG2  ARG  37           HG1      ARG  37 -28.790  46.233 -26.644
  282    HG3  ARG  37           HG2      ARG  37 -29.649  45.786 -28.138
  283    HD2  ARG  37           HD1      ARG  37 -28.344  47.681 -28.621
  284    HD3  ARG  37           HD2      ARG  37 -30.033  48.228 -28.515
  285    HE   ARG  37           HE       ARG  37 -28.947  48.561 -25.974
  286   HH11  ARG  37          HH11      ARG  37 -28.333  49.760 -29.219
  287   HH12  ARG  37          HH12      ARG  37 -27.703  51.296 -28.667
  288   HH21  ARG  37          HH21      ARG  37 -28.127  50.558 -25.270
  289   HH22  ARG  37          HH22      ARG  37 -27.586  51.748 -26.432
  290    H    VAL  38           HN       VAL  38 -30.187  43.096 -26.307
  291    HA   VAL  38           HA       VAL  38 -29.383  42.863 -23.533
  292    HB   VAL  38           HB       VAL  38 -28.489  41.324 -26.009
  293   HG11  VAL  38          HG11      VAL  38 -27.716  39.616 -24.436
  294   HG12  VAL  38          HG12      VAL  38 -26.844  41.154 -24.232
  295   HG13  VAL  38          HG13      VAL  38 -28.115  40.690 -23.075
  296   HG21  VAL  38          HG21      VAL  38 -30.080  39.615 -25.188
  297   HG22  VAL  38          HG22      VAL  38 -30.551  40.696 -23.855
  298   HG23  VAL  38          HG23      VAL  38 -30.908  41.151 -25.538
  299    H    LYS  39           HN       LYS  39 -27.717  43.778 -22.569
  300    HA   LYS  39           HA       LYS  39 -25.670  45.131 -24.196
  301    HB2  LYS  39           HB1      LYS  39 -26.657  46.284 -22.239
  302    HB3  LYS  39           HB2      LYS  39 -26.070  45.010 -21.180
  303    HG2  LYS  39           HG1      LYS  39 -23.763  45.610 -21.646
  304    HG3  LYS  39           HG2      LYS  39 -24.280  46.799 -22.850
  305    HD2  LYS  39           HD1      LYS  39 -25.473  48.062 -21.081
  306    HD3  LYS  39           HD2      LYS  39 -24.934  46.879 -19.881
  307    HE2  LYS  39           HE1      LYS  39 -22.580  47.440 -20.377
  308    HE3  LYS  39           HE2      LYS  39 -23.108  48.613 -21.586
  309    HZ1  LYS  39           HZ1      LYS  39 -22.606  49.660 -19.503
  310    HZ2  LYS  39           HZ2      LYS  39 -24.212  49.831 -19.838
  311    HZ3  LYS  39           HZ3      LYS  39 -23.717  48.736 -18.708
  312    H    GLN  40           HN       GLN  40 -25.886  42.491 -21.826
  313    HA   GLN  40           HA       GLN  40 -23.279  41.509 -22.870
  314    HB2  GLN  40           HB1      GLN  40 -22.852  42.682 -20.715
  315    HB3  GLN  40           HB2      GLN  40 -24.025  41.643 -19.920
  316    HG2  GLN  40           HG1      GLN  40 -22.663  39.695 -20.305
  317    HG3  GLN  40           HG2      GLN  40 -21.518  40.650 -21.288
  318   HE21  GLN  40          HE21      GLN  40 -20.183  40.188 -17.821
  319   HE22  GLN  40          HE22      GLN  40 -20.741  39.113 -19.060
  320    H    GLU  41           HN       GLU  41 -23.356  39.481 -23.494
  321    HA   GLU  41           HA       GLU  41 -25.803  37.968 -23.174
  322    HB2  GLU  41           HB1      GLU  41 -24.346  37.868 -25.210
  323    HB3  GLU  41           HB2      GLU  41 -23.102  37.070 -24.259
  324    HG2  GLU  41           HG1      GLU  41 -24.584  35.173 -23.855
  325    HG3  GLU  41           HG2      GLU  41 -25.886  35.980 -24.727
  326    H    GLY  42           HN       GLY  42 -26.341  36.426 -21.784
  327    HA2  GLY  42           HA1      GLY  42 -24.697  35.948 -19.444
  328    HA3  GLY  42           HA2      GLY  42 -26.232  35.183 -19.814
  329    H    LYS  43           HN       LYS  43 -23.068  34.556 -19.282
  330    HA   LYS  43           HA       LYS  43 -23.276  31.961 -20.715
  331    HB2  LYS  43           HB1      LYS  43 -20.807  33.743 -20.706
  332    HB3  LYS  43           HB2      LYS  43 -20.854  32.090 -21.301
  333    HG2  LYS  43           HG1      LYS  43 -22.519  32.775 -23.015
  334    HG3  LYS  43           HG2      LYS  43 -22.390  34.443 -22.439
  335    HD2  LYS  43           HD1      LYS  43 -19.962  34.425 -22.956
  336    HD3  LYS  43           HD2      LYS  43 -20.112  32.768 -23.559
  337    HE2  LYS  43           HE1      LYS  43 -21.717  33.541 -25.278
  338    HE3  LYS  43           HE2      LYS  43 -21.560  35.195 -24.681
  339    HZ1  LYS  43           HZ1      LYS  43 -20.167  34.806 -26.577
  340    HZ2  LYS  43           HZ2      LYS  43 -19.232  35.119 -25.254
  341    HZ3  LYS  43           HZ3      LYS  43 -19.379  33.575 -25.814
  342    H    LEU  44           HN       LEU  44 -22.493  30.220 -19.651
  343    HA   LEU  44           HA       LEU  44 -21.940  30.539 -16.814
  344    HB2  LEU  44           HB1      LEU  44 -21.866  28.115 -18.643
  345    HB3  LEU  44           HB2      LEU  44 -21.638  28.049 -16.893
  346    HG   LEU  44           HG       LEU  44 -24.166  29.050 -18.248
  347   HD11  LEU  44          HD11      LEU  44 -25.120  26.883 -17.600
  348   HD12  LEU  44          HD12      LEU  44 -23.775  26.692 -18.750
  349   HD13  LEU  44          HD13      LEU  44 -23.523  26.353 -17.021
  350   HD21  LEU  44          HD21      LEU  44 -25.104  28.796 -15.975
  351   HD22  LEU  44          HD22      LEU  44 -23.507  28.293 -15.371
  352   HD23  LEU  44          HD23      LEU  44 -23.747  29.947 -15.982
  353    H    GLY  45           HN       GLY  45 -20.060  30.175 -15.697
  354    HA2  GLY  45           HA1      GLY  45 -17.551  30.287 -17.267
  355    HA3  GLY  45           HA2      GLY  45 -17.707  30.508 -15.534
  356    H    LYS  46           HN       LYS  46 -15.814  29.020 -15.552
  357    HA   LYS  46           HA       LYS  46 -16.668  26.349 -14.864
  358    HB2  LYS  46           HB1      LYS  46 -16.666  26.087 -17.320
  359    HB3  LYS  46           HB2      LYS  46 -15.011  26.675 -17.398
  360    HG2  LYS  46           HG1      LYS  46 -14.270  24.721 -16.055
  361    HG3  LYS  46           HG2      LYS  46 -15.935  24.121 -16.051
  362    HD2  LYS  46           HD1      LYS  46 -14.456  24.744 -18.624
  363    HD3  LYS  46           HD2      LYS  46 -14.346  23.165 -17.831
  364    HE2  LYS  46           HE1      LYS  46 -16.885  23.075 -17.890
  365    HE3  LYS  46           HE2      LYS  46 -16.842  24.516 -18.909
  366    HZ1  LYS  46           HZ1      LYS  46 -16.957  22.520 -20.209
  367    HZ2  LYS  46           HZ2      LYS  46 -15.524  23.286 -20.493
  368    HZ3  LYS  46           HZ3      LYS  46 -15.566  21.939 -19.542
  369    H    LYS  47           HN       LYS  47 -15.462  25.778 -13.219
  370    HA   LYS  47           HA       LYS  47 -12.706  26.863 -13.012
  371    HB2  LYS  47           HB1      LYS  47 -14.203  27.079 -11.043
  372    HB3  LYS  47           HB2      LYS  47 -14.387  25.331 -10.988
  373    HG2  LYS  47           HG1      LYS  47 -11.982  25.078 -10.523
  374    HG3  LYS  47           HG2      LYS  47 -11.782  26.835 -10.599
  375    HD2  LYS  47           HD1      LYS  47 -13.342  27.107  -8.708
  376    HD3  LYS  47           HD2      LYS  47 -13.580  25.355  -8.642
  377    HE2  LYS  47           HE1      LYS  47 -11.165  25.053  -8.167
  378    HE3  LYS  47           HE2      LYS  47 -10.940  26.803  -8.212
  379    HZ1  LYS  47           HZ1      LYS  47 -11.186  26.003  -5.979
  380    HZ2  LYS  47           HZ2      LYS  47 -12.454  26.987  -6.359
  381    HZ3  LYS  47           HZ3      LYS  47 -12.663  25.351  -6.316
  382    H    VAL  48           HN       VAL  48 -11.068  25.740 -13.735
  383    HA   VAL  48           HA       VAL  48 -11.411  22.810 -14.098
  384    HB   VAL  48           HB       VAL  48  -9.311  24.727 -15.202
  385   HG11  VAL  48          HG11      VAL  48  -8.634  22.856 -16.626
  386   HG12  VAL  48          HG12      VAL  48  -8.400  22.497 -14.899
  387   HG13  VAL  48          HG13      VAL  48  -9.780  21.794 -15.776
  388   HG21  VAL  48          HG21      VAL  48 -10.480  24.347 -17.349
  389   HG22  VAL  48          HG22      VAL  48 -11.683  23.336 -16.514
  390   HG23  VAL  48          HG23      VAL  48 -11.569  25.073 -16.143
  391    H    GLU  49           HN       GLU  49 -10.416  21.387 -12.848
  392    HA   GLU  49           HA       GLU  49  -7.886  22.182 -11.510
  393    HB2  GLU  49           HB1      GLU  49  -9.716  22.534  -9.863
  394    HB3  GLU  49           HB2      GLU  49 -10.234  20.869 -10.081
  395    HG2  GLU  49           HG1      GLU  49  -8.133  20.051  -9.171
  396    HG3  GLU  49           HG2      GLU  49  -7.514  21.696  -9.047
  397    H    ILE  50           HN       ILE  50  -6.473  20.842 -12.389
  398    HA   ILE  50           HA       ILE  50  -7.288  18.025 -12.871
  399    HB   ILE  50           HB       ILE  50  -4.850  19.582 -13.836
  400   HG12  ILE  50          HG11      ILE  50  -7.247  18.608 -15.403
  401   HG13  ILE  50          HG12      ILE  50  -7.073  20.246 -14.793
  402   HG21  ILE  50          HG21      ILE  50  -4.441  17.620 -15.265
  403   HG22  ILE  50          HG22      ILE  50  -4.368  17.182 -13.543
  404   HG23  ILE  50          HG23      ILE  50  -5.809  16.774 -14.504
  405   HD11  ILE  50          HD11      ILE  50  -6.427  20.109 -17.133
  406   HD12  ILE  50          HD12      ILE  50  -5.027  20.538 -16.121
  407   HD13  ILE  50          HD13      ILE  50  -5.203  18.879 -16.740
  408    H    VAL  51           HN       VAL  51  -6.746  16.494 -11.501
  409    HA   VAL  51           HA       VAL  51  -4.475  17.047  -9.636
  410    HB   VAL  51           HB       VAL  51  -7.107  15.629  -9.037
  411   HG11  VAL  51          HG11      VAL  51  -6.294  15.511  -6.733
  412   HG12  VAL  51          HG12      VAL  51  -5.256  14.598  -7.853
  413   HG13  VAL  51          HG13      VAL  51  -4.732  16.189  -7.250
  414   HG21  VAL  51          HG21      VAL  51  -7.486  17.542  -7.514
  415   HG22  VAL  51          HG22      VAL  51  -5.961  18.279  -8.064
  416   HG23  VAL  51          HG23      VAL  51  -7.317  18.085  -9.200
  417    H    ARG  52           HN       ARG  52  -2.955  15.533  -9.454
  418    HA   ARG  52           HA       ARG  52  -3.489  12.889 -10.733
  419    HB2  ARG  52           HB1      ARG  52  -1.630  14.169 -11.726
  420    HB3  ARG  52           HB2      ARG  52  -0.850  14.281 -10.156
  421    HG2  ARG  52           HG1      ARG  52  -0.561  11.844 -10.108
  422    HG3  ARG  52           HG2      ARG  52  -1.366  11.721 -11.692
  423    HD2  ARG  52           HD1      ARG  52   1.117  13.334 -11.164
  424    HD3  ARG  52           HD2      ARG  52   1.103  11.666 -11.783
  425    HE   ARG  52           HE       ARG  52  -0.572  13.096 -13.464
  426   HH11  ARG  52          HH11      ARG  52   2.793  13.274 -12.472
  427   HH12  ARG  52          HH12      ARG  52   3.333  13.963 -13.987
  428   HH21  ARG  52          HH21      ARG  52   0.141  13.991 -15.425
  429   HH22  ARG  52          HH22      ARG  52   1.833  14.369 -15.659
  430    H    ILE  53           HN       ILE  53  -3.644  11.154  -9.499
  431    HA   ILE  53           HA       ILE  53  -2.771  11.421  -6.654
  432    HB   ILE  53           HB       ILE  53  -5.044   9.763  -7.830
  433   HG12  ILE  53          HG11      ILE  53  -5.169  12.155  -5.983
  434   HG13  ILE  53          HG12      ILE  53  -5.399  12.243  -7.722
  435   HG21  ILE  53          HG21      ILE  53  -5.577   9.242  -5.484
  436   HG22  ILE  53          HG22      ILE  53  -3.960   8.644  -5.920
  437   HG23  ILE  53          HG23      ILE  53  -4.127  10.128  -4.953
  438   HD11  ILE  53          HD11      ILE  53  -7.532  12.179  -6.557
  439   HD12  ILE  53          HD12      ILE  53  -7.321  10.721  -7.557
  440   HD13  ILE  53          HD13      ILE  53  -7.089  10.634  -5.794
  441    H    PHE  54           HN       PHE  54  -1.016  10.311  -6.198
  442    HA   PHE  54           HA       PHE  54  -0.327   7.896  -7.726
  443    HB2  PHE  54           HB1      PHE  54   1.445   9.485  -7.062
  444    HB3  PHE  54           HB2      PHE  54   1.050   9.244  -5.368
  445    HD1  PHE  54           HD1      PHE  54   1.503   6.847  -8.210
  446    HD2  PHE  54           HD2      PHE  54   2.774   8.130  -4.338
  447    HE1  PHE  54           HE1      PHE  54   3.094   4.958  -8.109
  448    HE2  PHE  54           HE2      PHE  54   4.368   6.243  -4.234
  449    HZ   PHE  54           HZ       PHE  54   4.527   4.656  -6.120
  450    H    SER  55           HN       SER  55  -0.989   5.939  -7.233
  451    HA   SER  55           HA       SER  55  -1.698   5.366  -4.389
  452    HB2  SER  55           HB1      SER  55  -3.762   5.695  -5.636
  453    HB3  SER  55           HB2      SER  55  -3.228   4.587  -6.891
  454    HG   SER  55           HG       SER  55  -4.600   3.983  -4.862
  455    H    VAL  56           HN       VAL  56  -1.145   3.403  -3.589
  456    HA   VAL  56           HA       VAL  56   0.149   1.496  -5.488
  457    HB   VAL  56           HB       VAL  56   1.134   2.284  -2.712
  458   HG11  VAL  56          HG11      VAL  56   2.980   0.734  -3.128
  459   HG12  VAL  56          HG12      VAL  56   1.408  -0.099  -3.085
  460   HG13  VAL  56          HG13      VAL  56   2.206   0.218  -4.644
  461   HG21  VAL  56          HG21      VAL  56   3.129   3.072  -3.945
  462   HG22  VAL  56          HG22      VAL  56   2.351   2.630  -5.484
  463   HG23  VAL  56          HG23      VAL  56   1.663   3.928  -4.479
  464    H    ASN  57           HN       ASN  57  -0.652  -0.484  -5.409
  465    HA   ASN  57           HA       ASN  57  -2.035  -2.221  -4.794
  466    HB2  ASN  57           HB1      ASN  57  -0.182  -2.277  -3.001
  467    HB3  ASN  57           HB2      ASN  57  -1.364  -1.545  -1.924
  468   HD21  ASN  57          HD21      ASN  57  -2.250  -4.786  -1.025
  469   HD22  ASN  57          HD22      ASN  57  -1.526  -3.283  -0.562
  470    H    LYS  58           HN       LYS  58  -3.379   0.100  -5.328
  471    HA   LYS  58           HA       LYS  58  -5.410   1.140  -5.025
  472    HB2  LYS  58           HB1      LYS  58  -6.037  -1.368  -3.415
  473    HB3  LYS  58           HB2      LYS  58  -7.224  -0.207  -3.991
  474    HG2  LYS  58           HG1      LYS  58  -6.581  -0.737  -6.332
  475    HG3  LYS  58           HG2      LYS  58  -5.444  -1.948  -5.721
  476    HD2  LYS  58           HD1      LYS  58  -7.325  -3.135  -4.613
  477    HD3  LYS  58           HD2      LYS  58  -8.452  -1.938  -5.267
  478    HE2  LYS  58           HE1      LYS  58  -7.818  -2.577  -7.563
  479    HE3  LYS  58           HE2      LYS  58  -6.663  -3.752  -6.928
  480    HZ1  LYS  58           HZ1      LYS  58  -8.725  -4.784  -7.538
  481    HZ2  LYS  58           HZ2      LYS  58  -8.497  -4.918  -5.910
  482    HZ3  LYS  58           HZ3      LYS  58  -9.576  -3.821  -6.504
  483    H    GLU  59           HN       GLU  59  -3.474   2.135  -3.417
  484    HA   GLU  59           HA       GLU  59  -5.104   3.034  -1.123
  485    HB2  GLU  59           HB1      GLU  59  -3.736   1.140  -0.250
  486    HB3  GLU  59           HB2      GLU  59  -2.274   1.957  -0.785
  487    HG2  GLU  59           HG1      GLU  59  -2.730   3.812   0.753
  488    HG3  GLU  59           HG2      GLU  59  -4.219   3.026   1.273
  489    H    GLU  60           HN       GLU  60  -4.998   5.149  -0.878
  490    HA   GLU  60           HA       GLU  60  -3.484   6.780  -2.652
  491    HB2  GLU  60           HB1      GLU  60  -5.591   7.501  -1.548
  492    HB3  GLU  60           HB2      GLU  60  -4.772   7.523   0.007
  493    HG2  GLU  60           HG1      GLU  60  -3.279   9.298  -0.784
  494    HG3  GLU  60           HG2      GLU  60  -4.057   9.260  -2.365
  495    H    VAL  61           HN       VAL  61  -1.444   7.367  -2.663
  496    HA   VAL  61           HA       VAL  61   0.083   7.188  -0.104
  497    HB   VAL  61           HB       VAL  61   1.064   7.165  -2.991
  498   HG11  VAL  61          HG11      VAL  61   3.269   6.695  -2.040
  499   HG12  VAL  61          HG12      VAL  61   2.653   8.287  -1.538
  500   HG13  VAL  61          HG13      VAL  61   2.610   6.917  -0.403
  501   HG21  VAL  61          HG21      VAL  61   1.693   4.829  -2.472
  502   HG22  VAL  61          HG22      VAL  61   0.979   4.998  -0.851
  503   HG23  VAL  61          HG23      VAL  61  -0.060   5.078  -2.294
  504    H    SER  62           HN       SER  62  -0.120   9.138  -3.108
  505    HA   SER  62           HA       SER  62  -0.016  11.606  -1.557
  506    HB2  SER  62           HB1      SER  62   2.366  11.035  -1.610
  507    HB3  SER  62           HB2      SER  62   2.307  10.841  -3.355
  508    HG   SER  62           HG       SER  62   2.346  13.093  -1.807
  509    H    ARG  63           HN       ARG  63  -0.760  13.356  -2.666
  510    HA   ARG  63           HA       ARG  63  -1.187  13.103  -5.583
  511    HB2  ARG  63           HB1      ARG  63  -3.571  13.639  -5.406
  512    HB3  ARG  63           HB2      ARG  63  -3.210  12.115  -4.611
  513    HG2  ARG  63           HG1      ARG  63  -3.269  13.239  -2.420
  514    HG3  ARG  63           HG2      ARG  63  -3.651  14.776  -3.233
  515    HD2  ARG  63           HD1      ARG  63  -5.710  13.922  -4.033
  516    HD3  ARG  63           HD2      ARG  63  -5.304  12.278  -3.486
  517    HE   ARG  63           HE       ARG  63  -5.830  12.867  -1.309
  518   HH11  ARG  63          HH11      ARG  63  -5.888  15.700  -3.386
  519   HH12  ARG  63          HH12      ARG  63  -6.687  16.707  -2.200
  520   HH21  ARG  63          HH21      ARG  63  -6.867  14.184   0.222
  521   HH22  ARG  63          HH22      ARG  63  -7.241  15.851  -0.157
  522    H    GLU  64           HN       GLU  64  -1.667  15.072  -6.635
  523    HA   GLU  64           HA       GLU  64  -1.732  17.547  -5.076
  524    HB2  GLU  64           HB1      GLU  64   0.325  18.495  -5.985
  525    HB3  GLU  64           HB2      GLU  64   0.696  17.027  -5.092
  526    HG2  GLU  64           HG1      GLU  64   0.826  15.779  -7.223
  527    HG3  GLU  64           HG2      GLU  64   0.496  17.271  -8.102
  528    H    ILE  65           HN       ILE  65  -1.916  19.470  -6.446
  529    HA   ILE  65           HA       ILE  65  -3.583  18.888  -8.776
  530    HB   ILE  65           HB       ILE  65  -2.684  21.522  -7.533
  531   HG12  ILE  65          HG11      ILE  65  -5.387  20.168  -7.446
  532   HG13  ILE  65          HG12      ILE  65  -4.183  20.033  -6.174
  533   HG21  ILE  65          HG21      ILE  65  -4.421  22.547  -8.945
  534   HG22  ILE  65          HG22      ILE  65  -3.161  21.779  -9.938
  535   HG23  ILE  65          HG23      ILE  65  -4.731  20.973  -9.714
  536   HD11  ILE  65          HD11      ILE  65  -5.842  21.726  -5.635
  537   HD12  ILE  65          HD12      ILE  65  -4.237  22.467  -5.846
  538   HD13  ILE  65          HD13      ILE  65  -5.458  22.604  -7.133
  539    H    VAL  66           HN       VAL  66  -2.870  18.599 -10.752
  540    HA   VAL  66           HA       VAL  66  -0.133  19.238 -11.486
  541    HB   VAL  66           HB       VAL  66  -2.504  18.264 -13.135
  542   HG11  VAL  66          HG11      VAL  66  -0.861  17.693 -14.856
  543   HG12  VAL  66          HG12      VAL  66  -0.927  19.445 -14.553
  544   HG13  VAL  66          HG13      VAL  66   0.416  18.478 -13.896
  545   HG21  VAL  66          HG21      VAL  66  -1.323  16.093 -13.016
  546   HG22  VAL  66          HG22      VAL  66  -0.066  16.834 -11.997
  547   HG23  VAL  66          HG23      VAL  66  -1.734  16.692 -11.392
  548    H    SER  67           HN       SER  67  -3.360  20.473 -12.399
  549    HA   SER  67           HA       SER  67  -2.218  23.103 -12.967
  550    HB2  SER  67           HB1      SER  67  -1.739  21.937 -15.072
  551    HB3  SER  67           HB2      SER  67  -3.417  21.434 -15.202
  552    HG   SER  67           HG       SER  67  -2.236  23.844 -15.683
  553    H    THR  68           HN       THR  68  -3.748  24.738 -13.107
  554    HA   THR  68           HA       THR  68  -6.597  24.000 -12.905
  555    HB   THR  68           HB       THR  68  -5.792  23.900 -10.551
  556    HG1  THR  68           HG1      THR  68  -7.905  24.919 -11.331
  557   HG21  THR  68          HG21      THR  68  -5.045  25.973  -9.450
  558   HG22  THR  68          HG22      THR  68  -3.929  25.509 -10.756
  559   HG23  THR  68          HG23      THR  68  -5.097  26.826 -11.010
  560    H    SER  69           HN       SER  69  -8.029  25.673 -13.332
  561    HA   SER  69           HA       SER  69  -7.087  28.389 -13.740
  562    HB2  SER  69           HB1      SER  69  -6.186  27.370 -15.775
  563    HB3  SER  69           HB2      SER  69  -7.755  26.679 -16.158
  564    HG   SER  69           HG       SER  69  -8.035  29.266 -15.679
  565    H    THR  70           HN       THR  70  -8.707  29.665 -13.229
  566    HA   THR  70           HA       THR  70 -11.457  28.540 -13.339
  567    HB   THR  70           HB       THR  70 -10.367  30.963 -11.843
  568    HG1  THR  70           HG1      THR  70  -9.935  29.524 -10.367
  569   HG21  THR  70          HG21      THR  70 -12.568  30.982 -10.735
  570   HG22  THR  70          HG22      THR  70 -12.736  31.238 -12.489
  571   HG23  THR  70          HG23      THR  70 -13.110  29.650 -11.781
  572    H    THR  71           HN       THR  71 -12.695  29.039 -14.985
  573    HA   THR  71           HA       THR  71 -12.227  31.573 -16.447
  574    HB   THR  71           HB       THR  71 -14.090  29.233 -17.041
  575    HG1  THR  71           HG1      THR  71 -11.994  28.642 -17.458
  576   HG21  THR  71          HG21      THR  71 -14.405  30.326 -19.226
  577   HG22  THR  71          HG22      THR  71 -14.976  31.372 -17.904
  578   HG23  THR  71          HG23      THR  71 -13.413  31.701 -18.687
  579    H    ALA  72           HN       ALA  72 -13.259  33.348 -15.933
  580    HA   ALA  72           HA       ALA  72 -15.334  33.346 -13.944
  581    HB1  ALA  72           HB1      ALA  72 -15.436  35.779 -14.378
  582    HB2  ALA  72           HB2      ALA  72 -13.760  35.214 -14.182
  583    HB3  ALA  72           HB3      ALA  72 -14.398  35.560 -15.806
  584    HA   PRO  73           HA       PRO  73 -18.831  32.881 -16.517
  585    HB2  PRO  73           HB1      PRO  73 -20.792  33.706 -14.804
  586    HB3  PRO  73           HB2      PRO  73 -19.912  32.194 -14.546
  587    HG2  PRO  73           HG1      PRO  73 -19.426  34.926 -13.283
  588    HG3  PRO  73           HG2      PRO  73 -19.541  33.357 -12.482
  589    HD2  PRO  73           HD1      PRO  73 -17.127  34.471 -13.119
  590    HD3  PRO  73           HD2      PRO  73 -17.392  32.681 -13.157
  591    H    SER  74           HN       SER  74 -20.672  34.202 -17.398
  592    HA   SER  74           HA       SER  74 -19.996  37.116 -17.411
  593    HB2  SER  74           HB1      SER  74 -19.444  36.082 -19.552
  594    HB3  SER  74           HB2      SER  74 -21.048  35.372 -19.662
  595    HG   SER  74           HG       SER  74 -21.763  37.146 -20.372
  596    HA   PRO  75           HA       PRO  75 -24.135  37.061 -15.578
  597    HB2  PRO  75           HB1      PRO  75 -23.247  39.958 -15.347
  598    HB3  PRO  75           HB2      PRO  75 -24.072  38.948 -14.152
  599    HG2  PRO  75           HG1      PRO  75 -21.462  39.375 -13.853
  600    HG3  PRO  75           HG2      PRO  75 -22.094  37.746 -13.592
  601    HD2  PRO  75           HD1      PRO  75 -20.685  38.887 -16.040
  602    HD3  PRO  75           HD2      PRO  75 -20.448  37.285 -15.233
  603    H    ARG  76           HN       ARG  76 -26.051  37.698 -16.514
  604    HA   ARG  76           HA       ARG  76 -25.813  38.819 -19.233
  605    HB2  ARG  76           HB1      ARG  76 -27.143  36.745 -18.778
  606    HB3  ARG  76           HB2      ARG  76 -28.248  37.701 -17.803
  607    HG2  ARG  76           HG1      ARG  76 -29.131  38.813 -19.647
  608    HG3  ARG  76           HG2      ARG  76 -27.722  38.443 -20.671
  609    HD2  ARG  76           HD1      ARG  76 -29.490  37.076 -21.397
  610    HD3  ARG  76           HD2      ARG  76 -28.369  36.033 -20.491
  611    HE   ARG  76           HE       ARG  76 -30.497  37.103 -18.856
  612   HH11  ARG  76          HH11      ARG  76 -29.616  34.556 -21.109
  613   HH12  ARG  76          HH12      ARG  76 -30.816  33.435 -20.506
  614   HH21  ARG  76          HH21      ARG  76 -32.052  35.639 -18.082
  615   HH22  ARG  76          HH22      ARG  76 -32.196  34.048 -18.794
  616    H    ILE  77           HN       ILE  77 -26.237  40.845 -19.738
  617    HA   ILE  77           HA       ILE  77 -27.893  42.440 -17.827
  618    HB   ILE  77           HB       ILE  77 -25.502  43.373 -19.474
  619   HG12  ILE  77          HG11      ILE  77 -25.815  43.166 -16.472
  620   HG13  ILE  77          HG12      ILE  77 -24.980  41.983 -17.465
  621   HG21  ILE  77          HG21      ILE  77 -25.838  45.524 -18.325
  622   HG22  ILE  77          HG22      ILE  77 -27.257  45.097 -19.308
  623   HG23  ILE  77          HG23      ILE  77 -27.301  44.883 -17.542
  624   HD11  ILE  77          HD11      ILE  77 -23.409  43.520 -16.426
  625   HD12  ILE  77          HD12      ILE  77 -23.385  43.703 -18.197
  626   HD13  ILE  77          HD13      ILE  77 -24.230  44.902 -17.189
  627    H    VAL  78           HN       VAL  78 -29.680  43.281 -18.616
  628    HA   VAL  78           HA       VAL  78 -29.889  43.558 -21.586
  629    HB   VAL  78           HB       VAL  78 -32.067  42.741 -19.615
  630   HG11  VAL  78          HG11      VAL  78 -33.464  42.425 -21.598
  631   HG12  VAL  78          HG12      VAL  78 -32.953  44.119 -21.407
  632   HG13  VAL  78          HG13      VAL  78 -32.163  43.082 -22.619
  633   HG21  VAL  78          HG21      VAL  78 -31.991  40.585 -20.825
  634   HG22  VAL  78          HG22      VAL  78 -30.641  41.190 -21.815
  635   HG23  VAL  78          HG23      VAL  78 -30.425  40.951 -20.065
  636    H    GLU  79           HN       GLU  79 -30.537  45.461 -22.363
  637    HA   GLU  79           HA       GLU  79 -31.184  47.591 -20.415
  638    HB2  GLU  79           HB1      GLU  79 -30.619  47.696 -23.406
  639    HB3  GLU  79           HB2      GLU  79 -30.934  49.101 -22.396
  640    HG2  GLU  79           HG1      GLU  79 -28.927  48.598 -21.064
  641    HG3  GLU  79           HG2      GLU  79 -28.613  47.186 -22.071
  642    H    LYS  80           HN       LYS  80 -33.049  48.750 -20.362
  643    HA   LYS  80           HA       LYS  80 -35.220  47.847 -22.207
  644    HB2  LYS  80           HB1      LYS  80 -35.564  46.902 -19.943
  645    HB3  LYS  80           HB2      LYS  80 -35.477  48.514 -19.246
  646    HG2  LYS  80           HG1      LYS  80 -37.507  49.168 -20.479
  647    HG3  LYS  80           HG2      LYS  80 -37.592  47.553 -21.196
  648    HD2  LYS  80           HD1      LYS  80 -37.826  46.554 -18.955
  649    HD3  LYS  80           HD2      LYS  80 -37.700  48.158 -18.217
  650    HE2  LYS  80           HE1      LYS  80 -39.745  48.867 -19.424
  651    HE3  LYS  80           HE2      LYS  80 -39.876  47.260 -20.142
  652    HZ1  LYS  80           HZ1      LYS  80 -41.277  47.487 -18.225
  653    HZ2  LYS  80           HZ2      LYS  80 -40.113  46.355 -17.932
  654    HZ3  LYS  80           HZ3      LYS  80 -39.991  47.857 -17.261
  655    H    GLY  81           HN       GLY  81 -35.873  49.409 -23.474
  656    HA2  GLY  81           HA1      GLY  81 -35.004  52.107 -23.225
  657    HA3  GLY  81           HA2      GLY  81 -36.260  51.537 -24.307
  658    H    THR  82           HN       THR  82 -35.957  53.948 -22.468
  659    HA   THR  82           HA       THR  82 -38.712  53.867 -21.439
  660    HB   THR  82           HB       THR  82 -37.298  53.002 -19.540
  661    HG1  THR  82           HG1      THR  82 -38.378  54.272 -18.089
  662   HG21  THR  82          HG21      THR  82 -35.831  54.604 -18.377
  663   HG22  THR  82          HG22      THR  82 -35.252  54.297 -20.032
  664   HG23  THR  82          HG23      THR  82 -36.120  55.804 -19.657
  665    H    LYS  83           HN       LYS  83 -38.717  56.153 -19.935
  666    HA   LYS  83           HA       LYS  83 -37.551  58.261 -21.666
  667    HB2  LYS  83           HB1      LYS  83 -39.814  57.761 -22.582
  668    HB3  LYS  83           HB2      LYS  83 -40.519  58.085 -21.004
  669    HG2  LYS  83           HG1      LYS  83 -39.786  60.420 -21.124
  670    HG3  LYS  83           HG2      LYS  83 -39.003  60.108 -22.679
  671    HD2  LYS  83           HD1      LYS  83 -41.183  59.508 -23.668
  672    HD3  LYS  83           HD2      LYS  83 -41.974  59.790 -22.110
  673    HE2  LYS  83           HE1      LYS  83 -41.252  62.156 -22.173
  674    HE3  LYS  83           HE2      LYS  83 -40.464  61.876 -23.728
  675    HZ1  LYS  83           HZ1      LYS  83 -42.630  62.837 -23.998
  676    HZ2  LYS  83           HZ2      LYS  83 -42.609  61.322 -24.650
  677    HZ3  LYS  83           HZ3      LYS  83 -43.345  61.585 -23.198
  678    H    LYS  84           HN       LYS  84 -36.260  59.108 -20.146
  679    HA   LYS  84           HA       LYS  84 -37.493  60.683 -18.047
  680    HB2  LYS  84           HB1      LYS  84 -36.480  59.580 -16.126
  681    HB3  LYS  84           HB2      LYS  84 -37.527  58.445 -16.968
  682    HG2  LYS  84           HG1      LYS  84 -35.529  57.445 -18.060
  683    HG3  LYS  84           HG2      LYS  84 -34.502  58.549 -17.135
  684    HD2  LYS  84           HD1      LYS  84 -35.486  57.610 -15.023
  685    HD3  LYS  84           HD2      LYS  84 -36.370  56.434 -16.006
  686    HE2  LYS  84           HE1      LYS  84 -34.215  55.587 -16.906
  687    HE3  LYS  84           HE2      LYS  84 -33.347  56.740 -15.889
  688    HZ1  LYS  84           HZ1      LYS  84 -33.452  54.580 -14.883
  689    HZ2  LYS  84           HZ2      LYS  84 -34.290  55.663 -13.963
  690    HZ3  LYS  84           HZ3      LYS  84 -35.100  54.585 -14.913
  Start of MODEL    4
    1    H1   GLY   1          1HN       GLY   1  -0.334  -0.943  -0.000
    2    H2   GLY   1          2HN       GLY   1  -0.334   0.471   0.816
    3    H3   GLY   1          3HN       GLY   1  -0.334   0.471  -0.816
    4    HA2  GLY   1           HA1      GLY   1   1.822  -0.535   0.877
    5    HA3  GLY   1           HA2      GLY   1   1.822  -0.535  -0.876
    6    H    SER   2           HN       SER   2   3.697   0.779   0.912
    7    HA   SER   2           HA       SER   2   3.171   3.598   1.042
    8    HB2  SER   2           HB1      SER   2   4.856   2.531   2.449
    9    HB3  SER   2           HB2      SER   2   5.778   2.042   1.035
   10    HG   SER   2           HG       SER   2   5.882   4.304   0.521
   11    H    HIS   3           HN       HIS   3   3.583   5.247  -0.319
   12    HA   HIS   3           HA       HIS   3   3.898   4.464  -3.149
   13    HB2  HIS   3           HB1      HIS   3   3.238   7.139  -1.862
   14    HB3  HIS   3           HB2      HIS   3   3.285   6.836  -3.593
   15    HD2  HIS   3           HD2      HIS   3   0.785   6.714  -0.742
   16    HE1  HIS   3           HE1      HIS   3  -0.886   4.387  -3.897
   17    HE2  HIS   3           HE2      HIS   3  -1.338   5.519  -1.658
   18    H    ASN   4           HN       ASN   4   6.210   3.841  -2.541
   19    HA   ASN   4           HA       ASN   4   7.890   5.981  -3.621
   20    HB2  ASN   4           HB1      ASN   4   9.555   5.891  -1.817
   21    HB3  ASN   4           HB2      ASN   4   8.012   6.506  -1.241
   22   HD21  ASN   4          HD21      ASN   4   8.427   4.321   1.443
   23   HD22  ASN   4          HD22      ASN   4   8.422   5.961   0.884
   24    H    LYS   5           HN       LYS   5  10.293   5.125  -3.618
   25    HA   LYS   5           HA       LYS   5  10.271   2.745  -5.218
   26    HB2  LYS   5           HB1      LYS   5  11.962   4.552  -5.453
   27    HB3  LYS   5           HB2      LYS   5  12.613   4.150  -3.870
   28    HG2  LYS   5           HG1      LYS   5  13.189   1.877  -4.719
   29    HG3  LYS   5           HG2      LYS   5  12.619   2.367  -6.321
   30    HD2  LYS   5           HD1      LYS   5  14.286   4.201  -6.348
   31    HD3  LYS   5           HD2      LYS   5  14.860   3.697  -4.752
   32    HE2  LYS   5           HE1      LYS   5  15.359   1.422  -5.755
   33    HE3  LYS   5           HE2      LYS   5  14.992   2.110  -7.339
   34    HZ1  LYS   5           HZ1      LYS   5  17.330   2.169  -6.870
   35    HZ2  LYS   5           HZ2      LYS   5  16.748   3.708  -6.985
   36    HZ3  LYS   5           HZ3      LYS   5  17.091   3.064  -5.506
   37    HA   PRO   6           HA       PRO   6  10.394  -0.156  -1.942
   38    HB2  PRO   6           HB1      PRO   6  10.465  -2.440  -3.428
   39    HB3  PRO   6           HB2      PRO   6   9.013  -1.434  -3.354
   40    HG2  PRO   6           HG1      PRO   6  11.191  -1.490  -5.488
   41    HG3  PRO   6           HG2      PRO   6   9.440  -1.543  -5.713
   42    HD2  PRO   6           HD1      PRO   6  10.853   0.792  -5.928
   43    HD3  PRO   6           HD2      PRO   6   9.161   0.752  -5.288
   44    H    GLU   7           HN       GLU   7  12.695   1.026  -1.864
   45    HA   GLU   7           HA       GLU   7  14.787  -1.032  -2.424
   46    HB2  GLU   7           HB1      GLU   7  15.151   1.149  -3.547
   47    HB3  GLU   7           HB2      GLU   7  15.085   1.969  -1.993
   48    HG2  GLU   7           HG1      GLU   7  17.099   0.827  -1.255
   49    HG3  GLU   7           HG2      GLU   7  17.141  -0.121  -2.740
   50    H    LEU   8           HN       LEU   8  14.851  -2.286  -0.655
   51    HA   LEU   8           HA       LEU   8  14.501  -1.091   2.004
   52    HB2  LEU   8           HB1      LEU   8  14.794  -3.902   0.941
   53    HB3  LEU   8           HB2      LEU   8  14.941  -3.574   2.670
   54    HG   LEU   8           HG       LEU   8  12.632  -2.559   2.595
   55   HD11  LEU   8          HD11      LEU   8  11.233  -3.079   0.646
   56   HD12  LEU   8          HD12      LEU   8  12.592  -2.013   0.215
   57   HD13  LEU   8          HD13      LEU   8  12.653  -3.744  -0.195
   58   HD21  LEU   8          HD21      LEU   8  11.507  -4.758   2.492
   59   HD22  LEU   8          HD22      LEU   8  12.931  -5.448   1.676
   60   HD23  LEU   8          HD23      LEU   8  13.060  -4.872   3.356
   61    H    LEU   9           HN       LEU   9  16.111  -0.213   3.078
   62    HA   LEU   9           HA       LEU   9  18.858  -1.296   2.611
   63    HB2  LEU   9           HB1      LEU   9  18.048   1.521   3.414
   64    HB3  LEU   9           HB2      LEU   9  19.699   0.949   3.152
   65    HG   LEU   9           HG       LEU   9  17.551   1.114   1.008
   66   HD11  LEU   9          HD11      LEU   9  18.857   3.022   0.184
   67   HD12  LEU   9          HD12      LEU   9  18.220   3.319   1.819
   68   HD13  LEU   9          HD13      LEU   9  19.933   2.894   1.595
   69   HD21  LEU   9          HD21      LEU   9  19.450   0.685  -0.514
   70   HD22  LEU   9          HD22      LEU   9  20.537   0.524   0.887
   71   HD23  LEU   9          HD23      LEU   9  19.232  -0.659   0.633
   72    H    TYR  10           HN       TYR  10  20.230  -1.587   4.342
   73    HA   TYR  10           HA       TYR  10  19.026  -1.194   7.045
   74    HB2  TYR  10           HB1      TYR  10  20.531  -3.652   6.058
   75    HB3  TYR  10           HB2      TYR  10  20.085  -3.357   7.733
   76    HD1  TYR  10           HD1      TYR  10  18.842  -4.190   4.376
   77    HD2  TYR  10           HD2      TYR  10  17.800  -3.577   8.492
   78    HE1  TYR  10           HE1      TYR  10  16.648  -5.258   3.980
   79    HE2  TYR  10           HE2      TYR  10  15.607  -4.645   8.097
   80    HH   TYR  10           HH       TYR  10  14.272  -5.613   6.617
   81    H    ARG  11           HN       ARG  11  20.288  -0.322   8.544
   82    HA   ARG  11           HA       ARG  11  23.213  -0.177   7.980
   83    HB2  ARG  11           HB1      ARG  11  22.176   1.973   7.347
   84    HB3  ARG  11           HB2      ARG  11  21.463   2.112   8.946
   85    HG2  ARG  11           HG1      ARG  11  23.676   2.283   9.957
   86    HG3  ARG  11           HG2      ARG  11  24.434   2.066   8.361
   87    HD2  ARG  11           HD1      ARG  11  23.358   4.095   7.576
   88    HD3  ARG  11           HD2      ARG  11  22.602   4.312   9.171
   89    HE   ARG  11           HE       ARG  11  25.395   4.771   8.444
   90   HH11  ARG  11          HH11      ARG  11  23.036   4.400  11.020
   91   HH12  ARG  11          HH12      ARG  11  24.021   5.219  12.211
   92   HH21  ARG  11          HH21      ARG  11  26.665   5.833   9.998
   93   HH22  ARG  11          HH22      ARG  11  26.075   6.031  11.633
   94    H    GLU  12           HN       GLU  12  23.946  -1.535   9.506
   95    HA   GLU  12           HA       GLU  12  22.827  -1.471  12.220
   96    HB2  GLU  12           HB1      GLU  12  25.104  -3.067  10.982
   97    HB3  GLU  12           HB2      GLU  12  24.579  -3.237  12.651
   98    HG2  GLU  12           HG1      GLU  12  22.353  -3.943  11.890
   99    HG3  GLU  12           HG2      GLU  12  22.861  -3.753  10.213
  100    H    GLU  13           HN       GLU  13  23.349   0.175  13.479
  101    HA   GLU  13           HA       GLU  13  26.073   1.336  13.255
  102    HB2  GLU  13           HB1      GLU  13  24.153   2.889  13.108
  103    HB3  GLU  13           HB2      GLU  13  23.581   2.353  14.681
  104    HG2  GLU  13           HG1      GLU  13  25.619   3.232  15.734
  105    HG3  GLU  13           HG2      GLU  13  26.212   3.753  14.158
  106    H    THR  14           HN       THR  14  27.601   0.830  14.636
  107    HA   THR  14           HA       THR  14  26.888  -0.546  17.149
  108    HB   THR  14           HB       THR  14  29.604   0.051  15.899
  109    HG1  THR  14           HG1      THR  14  29.196  -1.710  14.817
  110   HG21  THR  14          HG21      THR  14  30.466  -1.547  17.564
  111   HG22  THR  14          HG22      THR  14  29.719  -0.141  18.359
  112   HG23  THR  14          HG23      THR  14  28.843  -1.687  18.277
  113    H    ILE  15           HN       ILE  15  26.564   0.498  18.960
  114    HA   ILE  15           HA       ILE  15  27.784   3.205  19.255
  115    HB   ILE  15           HB       ILE  15  25.325   2.009  20.603
  116   HG12  ILE  15          HG11      ILE  15  25.498   4.277  18.611
  117   HG13  ILE  15          HG12      ILE  15  25.128   2.617  18.169
  118   HG21  ILE  15          HG21      ILE  15  25.013   4.265  21.537
  119   HG22  ILE  15          HG22      ILE  15  26.544   3.551  22.092
  120   HG23  ILE  15          HG23      ILE  15  26.552   4.784  20.810
  121   HD11  ILE  15          HD11      ILE  15  23.099   3.939  18.386
  122   HD12  ILE  15          HD12      ILE  15  23.147   2.658  19.622
  123   HD13  ILE  15          HD13      ILE  15  23.520   4.340  20.068
  124    H    GLU  16           HN       GLU  16  29.417   3.409  20.593
  125    HA   GLU  16           HA       GLU  16  29.517   1.596  22.966
  126    HB2  GLU  16           HB1      GLU  16  31.847   2.534  21.245
  127    HB3  GLU  16           HB2      GLU  16  32.014   1.673  22.768
  128    HG2  GLU  16           HG1      GLU  16  30.741  -0.233  21.769
  129    HG3  GLU  16           HG2      GLU  16  30.744   0.627  20.231
  130    H    THR  17           HN       THR  17  29.256   2.697  24.758
  131    HA   THR  17           HA       THR  17  30.393   5.460  24.879
  132    HB   THR  17           HB       THR  17  27.909   4.379  26.280
  133    HG1  THR  17           HG1      THR  17  28.348   6.143  24.092
  134   HG21  THR  17          HG21      THR  17  27.641   6.690  27.089
  135   HG22  THR  17          HG22      THR  17  29.163   5.983  27.680
  136   HG23  THR  17          HG23      THR  17  29.185   7.140  26.329
  137    H    LYS  18           HN       LYS  18  32.084   5.611  26.143
  138    HA   LYS  18           HA       LYS  18  32.830   3.503  27.961
  139    HB2  LYS  18           HB1      LYS  18  33.914   6.317  27.563
  140    HB3  LYS  18           HB2      LYS  18  34.639   5.137  28.646
  141    HG2  LYS  18           HG1      LYS  18  35.026   3.622  26.725
  142    HG3  LYS  18           HG2      LYS  18  34.329   4.838  25.645
  143    HD2  LYS  18           HD1      LYS  18  36.079   6.450  26.334
  144    HD3  LYS  18           HD2      LYS  18  36.779   5.227  27.405
  145    HE2  LYS  18           HE1      LYS  18  37.208   3.762  25.465
  146    HE3  LYS  18           HE2      LYS  18  36.490   4.964  24.389
  147    HZ1  LYS  18           HZ1      LYS  18  38.870   5.115  24.417
  148    HZ2  LYS  18           HZ2      LYS  18  38.218   6.495  25.042
  149    HZ3  LYS  18           HZ3      LYS  18  38.889   5.372  26.046
  150    H    ILE  19           HN       ILE  19  32.916   3.441  30.179
  151    HA   ILE  19           HA       ILE  19  31.066   5.376  31.509
  152    HB   ILE  19           HB       ILE  19  31.482   2.418  32.122
  153   HG12  ILE  19          HG11      ILE  19  29.025   3.817  31.048
  154   HG13  ILE  19          HG12      ILE  19  30.188   2.970  30.040
  155   HG21  ILE  19          HG21      ILE  19  29.658   2.735  33.745
  156   HG22  ILE  19          HG22      ILE  19  31.059   3.753  34.151
  157   HG23  ILE  19          HG23      ILE  19  29.628   4.476  33.378
  158   HD11  ILE  19          HD11      ILE  19  28.264   1.567  30.529
  159   HD12  ILE  19          HD12      ILE  19  29.738   0.882  31.254
  160   HD13  ILE  19          HD13      ILE  19  28.559   1.740  32.274
  161    H    ASP  20           HN       ASP  20  31.802   6.486  33.179
  162    HA   ASP  20           HA       ASP  20  34.596   6.044  33.983
  163    HB2  ASP  20           HB1      ASP  20  34.421   8.192  35.095
  164    HB3  ASP  20           HB2      ASP  20  33.732   8.334  33.484
  165    H    PHE  21           HN       PHE  21  34.836   6.803  36.499
  166    HA   PHE  21           HA       PHE  21  32.986   5.258  38.188
  167    HB2  PHE  21           HB1      PHE  21  34.715   3.776  39.079
  168    HB3  PHE  21           HB2      PHE  21  34.543   3.527  37.349
  169    HD1  PHE  21           HD1      PHE  21  36.701   4.858  40.002
  170    HD2  PHE  21           HD2      PHE  21  36.305   4.129  35.811
  171    HE1  PHE  21           HE1      PHE  21  39.126   5.238  39.709
  172    HE2  PHE  21           HE2      PHE  21  38.731   4.506  35.515
  173    HZ   PHE  21           HZ       PHE  21  40.141   5.062  37.465
  174    H    GLN  22           HN       GLN  22  33.486   5.445  40.485
  175    HA   GLN  22           HA       GLN  22  34.701   8.104  41.022
  176    HB2  GLN  22           HB1      GLN  22  32.881   6.379  42.751
  177    HB3  GLN  22           HB2      GLN  22  33.475   7.977  43.179
  178    HG2  GLN  22           HG1      GLN  22  31.715   7.360  40.797
  179    HG3  GLN  22           HG2      GLN  22  31.165   8.014  42.365
  180   HE21  GLN  22          HE21      GLN  22  32.214  10.526  39.504
  181   HE22  GLN  22          HE22      GLN  22  31.701   8.885  39.293
  182    H    GLU  23           HN       GLU  23  35.922   8.406  43.014
  183    HA   GLU  23           HA       GLU  23  37.493   5.957  43.705
  184    HB2  GLU  23           HB1      GLU  23  38.840   7.559  42.402
  185    HB3  GLU  23           HB2      GLU  23  38.440   8.846  43.530
  186    HG2  GLU  23           HG1      GLU  23  39.637   7.692  45.318
  187    HG3  GLU  23           HG2      GLU  23  39.987   6.344  44.238
  188    H    GLU  24           HN       GLU  24  37.830   5.473  45.792
  189    HA   GLU  24           HA       GLU  24  36.950   7.466  47.828
  190    HB2  GLU  24           HB1      GLU  24  35.115   5.842  47.504
  191    HB3  GLU  24           HB2      GLU  24  36.225   4.508  47.784
  192    HG2  GLU  24           HG1      GLU  24  36.586   5.257  50.083
  193    HG3  GLU  24           HG2      GLU  24  35.533   6.644  49.813
  194    H    ILE  25           HN       ILE  25  38.436   7.843  49.298
  195    HA   ILE  25           HA       ILE  25  40.554   5.787  49.715
  196    HB   ILE  25           HB       ILE  25  40.548   8.772  50.338
  197   HG12  ILE  25          HG11      ILE  25  42.183   7.231  48.313
  198   HG13  ILE  25          HG12      ILE  25  40.707   8.101  47.924
  199   HG21  ILE  25          HG21      ILE  25  42.911   8.433  50.939
  200   HG22  ILE  25          HG22      ILE  25  41.840   7.489  52.000
  201   HG23  ILE  25          HG23      ILE  25  42.728   6.681  50.688
  202   HD11  ILE  25          HD11      ILE  25  42.674   9.427  47.392
  203   HD12  ILE  25          HD12      ILE  25  41.730  10.201  48.687
  204   HD13  ILE  25          HD13      ILE  25  43.225   9.320  49.079
  205    H    GLN  26           HN       GLN  26  40.673   4.699  51.548
  206    HA   GLN  26           HA       GLN  26  38.911   5.620  53.782
  207    HB2  GLN  26           HB1      GLN  26  39.516   2.774  52.881
  208    HB3  GLN  26           HB2      GLN  26  38.584   3.201  54.309
  209    HG2  GLN  26           HG1      GLN  26  36.906   4.305  52.895
  210    HG3  GLN  26           HG2      GLN  26  37.850   3.851  51.447
  211   HE21  GLN  26          HE21      GLN  26  35.062   1.403  52.096
  212   HE22  GLN  26          HE22      GLN  26  35.127   3.129  51.963
  213    H    GLU  27           HN       GLU  27  39.576   5.297  55.893
  214    HA   GLU  27           HA       GLU  27  42.481   5.267  56.242
  215    HB2  GLU  27           HB1      GLU  27  40.995   6.802  57.536
  216    HB3  GLU  27           HB2      GLU  27  40.251   5.411  58.312
  217    HG2  GLU  27           HG1      GLU  27  42.456   4.797  59.270
  218    HG3  GLU  27           HG2      GLU  27  43.152   6.242  58.539
  219    H    ASN  28           HN       ASN  28  43.730   3.643  56.854
  220    HA   ASN  28           HA       ASN  28  42.398   1.205  57.956
  221    HB2  ASN  28           HB1      ASN  28  43.122   0.918  55.573
  222    HB3  ASN  28           HB2      ASN  28  44.777   1.243  56.072
  223   HD21  ASN  28          HD21      ASN  28  44.438  -2.391  55.962
  224   HD22  ASN  28          HD22      ASN  28  44.414  -1.058  54.857
  225    HA   PRO  29           HA       PRO  29  45.080   2.483  61.261
  226    HB2  PRO  29           HB1      PRO  29  43.804  -0.044  62.380
  227    HB3  PRO  29           HB2      PRO  29  44.061   1.515  63.173
  228    HG2  PRO  29           HG1      PRO  29  41.620   0.944  62.283
  229    HG3  PRO  29           HG2      PRO  29  42.268   2.564  62.009
  230    HD2  PRO  29           HD1      PRO  29  42.094   0.216  60.082
  231    HD3  PRO  29           HD2      PRO  29  41.763   1.968  59.778
  232    H    ASP  30           HN       ASP  30  44.762  -0.645  59.680
  233    HA   ASP  30           HA       ASP  30  46.935  -1.961  61.028
  234    HB2  ASP  30           HB1      ASP  30  45.543  -2.500  58.378
  235    HB3  ASP  30           HB2      ASP  30  46.805  -3.538  59.027
  236    H    LEU  31           HN       LEU  31  46.784   0.373  58.493
  237    HA   LEU  31           HA       LEU  31  49.554  -0.259  57.628
  238    HB2  LEU  31           HB1      LEU  31  47.527   1.724  56.535
  239    HB3  LEU  31           HB2      LEU  31  49.131   1.427  55.858
  240    HG   LEU  31           HG       LEU  31  46.858  -0.587  55.988
  241   HD11  LEU  31          HD11      LEU  31  46.810  -0.291  53.552
  242   HD12  LEU  31          HD12      LEU  31  46.453   1.228  54.405
  243   HD13  LEU  31          HD13      LEU  31  48.058   0.970  53.680
  244   HD21  LEU  31          HD21      LEU  31  48.360  -1.969  54.593
  245   HD22  LEU  31          HD22      LEU  31  49.631  -0.731  54.735
  246   HD23  LEU  31          HD23      LEU  31  49.094  -1.625  56.178
  247    H    ALA  32           HN       ALA  32  51.259   1.111  57.871
  248    HA   ALA  32           HA       ALA  32  51.115   2.926  60.111
  249    HB1  ALA  32           HB1      ALA  32  53.496   3.364  59.606
  250    HB2  ALA  32           HB2      ALA  32  53.139   1.621  59.639
  251    HB3  ALA  32           HB3      ALA  32  53.331   2.461  58.083
  252    H    GLU  33           HN       GLU  33  51.460   5.151  60.183
  253    HA   GLU  33           HA       GLU  33  49.878   6.639  58.426
  254    HB2  GLU  33           HB1      GLU  33  50.634   7.391  60.687
  255    HB3  GLU  33           HB2      GLU  33  52.249   7.656  60.045
  256    HG2  GLU  33           HG1      GLU  33  51.367   9.360  58.508
  257    HG3  GLU  33           HG2      GLU  33  49.743   9.088  59.136
  258    H    GLY  34           HN       GLY  34  50.068   7.274  56.411
  259    HA2  GLY  34           HA1      GLY  34  51.282   8.525  54.718
  260    HA3  GLY  34           HA2      GLY  34  52.788   7.880  55.343
  261    H    THR  35           HN       THR  35  51.198   5.194  55.588
  262    HA   THR  35           HA       THR  35  52.234   4.096  53.129
  263    HB   THR  35           HB       THR  35  50.412   2.847  55.231
  264    HG1  THR  35           HG1      THR  35  52.429   3.394  56.080
  265   HG21  THR  35          HG21      THR  35  51.163   0.703  54.277
  266   HG22  THR  35          HG22      THR  35  50.296   1.671  53.061
  267   HG23  THR  35          HG23      THR  35  52.071   1.575  53.021
  268    H    VAL  36           HN       VAL  36  51.316   3.726  51.233
  269    HA   VAL  36           HA       VAL  36  48.351   4.075  51.052
  270    HB   VAL  36           HB       VAL  36  50.472   4.696  48.951
  271   HG11  VAL  36          HG11      VAL  36  48.616   5.573  47.621
  272   HG12  VAL  36          HG12      VAL  36  48.443   3.830  47.937
  273   HG13  VAL  36          HG13      VAL  36  47.465   5.003  48.852
  274   HG21  VAL  36          HG21      VAL  36  49.738   7.035  49.282
  275   HG22  VAL  36          HG22      VAL  36  48.627   6.504  50.566
  276   HG23  VAL  36          HG23      VAL  36  50.386   6.345  50.788
  277    H    ARG  37           HN       ARG  37  47.245   2.352  50.450
  278    HA   ARG  37           HA       ARG  37  48.544   0.373  48.653
  279    HB2  ARG  37           HB1      ARG  37  48.786  -0.445  50.991
  280    HB3  ARG  37           HB2      ARG  37  47.042  -0.359  51.191
  281    HG2  ARG  37           HG1      ARG  37  46.701  -2.093  49.549
  282    HG3  ARG  37           HG2      ARG  37  48.434  -2.102  49.143
  283    HD2  ARG  37           HD1      ARG  37  48.042  -3.931  50.565
  284    HD3  ARG  37           HD2      ARG  37  48.874  -2.693  51.534
  285    HE   ARG  37           HE       ARG  37  46.122  -2.302  51.872
  286   HH11  ARG  37          HH11      ARG  37  48.529  -4.765  52.561
  287   HH12  ARG  37          HH12      ARG  37  47.688  -5.372  53.970
  288   HH21  ARG  37          HH21      ARG  37  45.038  -3.098  53.702
  289   HH22  ARG  37          HH22      ARG  37  45.712  -4.429  54.616
  290    H    VAL  38           HN       VAL  38  47.315   0.087  46.941
  291    HA   VAL  38           HA       VAL  38  44.585   1.062  46.882
  292    HB   VAL  38           HB       VAL  38  46.182  -0.540  44.838
  293   HG11  VAL  38          HG11      VAL  38  44.515   0.223  43.217
  294   HG12  VAL  38          HG12      VAL  38  43.795  -0.802  44.481
  295   HG13  VAL  38          HG13      VAL  38  43.575   0.963  44.534
  296   HG21  VAL  38          HG21      VAL  38  46.468   1.660  43.742
  297   HG22  VAL  38          HG22      VAL  38  45.591   2.439  45.080
  298   HG23  VAL  38          HG23      VAL  38  47.164   1.662  45.379
  299    H    LYS  39           HN       LYS  39  42.792   0.021  47.383
  300    HA   LYS  39           HA       LYS  39  42.922  -2.870  47.938
  301    HB2  LYS  39           HB1      LYS  39  41.792  -1.364  49.543
  302    HB3  LYS  39           HB2      LYS  39  40.662  -0.861  48.294
  303    HG2  LYS  39           HG1      LYS  39  39.722  -3.102  48.170
  304    HG3  LYS  39           HG2      LYS  39  40.928  -3.702  49.316
  305    HD2  LYS  39           HD1      LYS  39  40.047  -2.171  51.049
  306    HD3  LYS  39           HD2      LYS  39  38.841  -1.569  49.902
  307    HE2  LYS  39           HE1      LYS  39  37.878  -3.837  49.715
  308    HE3  LYS  39           HE2      LYS  39  39.086  -4.449  50.848
  309    HZ1  LYS  39           HZ1      LYS  39  37.015  -3.984  51.934
  310    HZ2  LYS  39           HZ2      LYS  39  38.185  -2.977  52.515
  311    HZ3  LYS  39           HZ3      LYS  39  37.056  -2.406  51.457
  312    H    GLN  40           HN       GLN  40  40.995  -0.653  45.898
  313    HA   GLN  40           HA       GLN  40  40.496  -2.985  44.099
  314    HB2  GLN  40           HB1      GLN  40  38.426  -2.358  45.316
  315    HB3  GLN  40           HB2      GLN  40  38.577  -0.707  44.732
  316    HG2  GLN  40           HG1      GLN  40  38.218  -1.401  42.458
  317    HG3  GLN  40           HG2      GLN  40  38.259  -3.121  42.938
  318   HE21  GLN  40          HE21      GLN  40  34.721  -1.919  42.530
  319   HE22  GLN  40          HE22      GLN  40  36.128  -1.876  41.519
  320    H    GLU  41           HN       GLU  41  41.212  -2.762  42.113
  321    HA   GLU  41           HA       GLU  41  42.555  -0.334  41.320
  322    HB2  GLU  41           HB1      GLU  41  43.265  -2.627  40.614
  323    HB3  GLU  41           HB2      GLU  41  41.806  -2.762  39.642
  324    HG2  GLU  41           HG1      GLU  41  42.528  -0.892  38.246
  325    HG3  GLU  41           HG2      GLU  41  43.964  -0.679  39.246
  326    H    GLY  42           HN       GLY  42  41.882   1.359  40.200
  327    HA2  GLY  42           HA1      GLY  42  39.091   1.654  39.476
  328    HA3  GLY  42           HA2      GLY  42  40.377   2.803  39.158
  329    H    LYS  43           HN       LYS  43  38.127   0.993  37.672
  330    HA   LYS  43           HA       LYS  43  39.715   0.914  35.157
  331    HB2  LYS  43           HB1      LYS  43  37.886  -1.313  36.140
  332    HB3  LYS  43           HB2      LYS  43  38.613  -1.235  34.541
  333    HG2  LYS  43           HG1      LYS  43  40.867  -1.333  35.579
  334    HG3  LYS  43           HG2      LYS  43  40.105  -1.476  37.169
  335    HD2  LYS  43           HD1      LYS  43  38.963  -3.549  36.430
  336    HD3  LYS  43           HD2      LYS  43  39.745  -3.409  34.848
  337    HE2  LYS  43           HE1      LYS  43  41.964  -3.571  35.932
  338    HE3  LYS  43           HE2      LYS  43  41.185  -3.714  37.510
  339    HZ1  LYS  43           HZ1      LYS  43  41.786  -5.846  36.627
  340    HZ2  LYS  43           HZ2      LYS  43  40.145  -5.738  36.749
  341    HZ3  LYS  43           HZ3      LYS  43  40.874  -5.605  35.275
  342    H    LEU  44           HN       LEU  44  38.615   1.366  33.293
  343    HA   LEU  44           HA       LEU  44  36.033   2.719  33.673
  344    HB2  LEU  44           HB1      LEU  44  37.795   2.362  31.223
  345    HB3  LEU  44           HB2      LEU  44  36.314   3.324  31.268
  346    HG   LEU  44           HG       LEU  44  38.787   3.890  32.942
  347   HD11  LEU  44          HD11      LEU  44  39.161   5.734  31.364
  348   HD12  LEU  44          HD12      LEU  44  39.240   4.150  30.556
  349   HD13  LEU  44          HD13      LEU  44  37.791   5.169  30.379
  350   HD21  LEU  44          HD21      LEU  44  37.645   6.046  33.341
  351   HD22  LEU  44          HD22      LEU  44  36.252   5.487  32.383
  352   HD23  LEU  44          HD23      LEU  44  36.658   4.682  33.919
  353    H    GLY  45           HN       GLY  45  34.105   2.197  32.681
  354    HA2  GLY  45           HA1      GLY  45  33.913  -0.588  31.626
  355    HA3  GLY  45           HA2      GLY  45  32.579   0.359  32.257
  356    H    LYS  46           HN       LYS  46  31.661  -0.465  30.140
  357    HA   LYS  46           HA       LYS  46  31.530   1.732  28.301
  358    HB2  LYS  46           HB1      LYS  46  33.721   0.800  27.570
  359    HB3  LYS  46           HB2      LYS  46  32.957  -0.756  27.278
  360    HG2  LYS  46           HG1      LYS  46  31.664   0.108  25.464
  361    HG3  LYS  46           HG2      LYS  46  32.087   1.777  25.870
  362    HD2  LYS  46           HD1      LYS  46  33.495   1.244  24.054
  363    HD3  LYS  46           HD2      LYS  46  34.536   1.077  25.475
  364    HE2  LYS  46           HE1      LYS  46  34.341  -1.319  25.441
  365    HE3  LYS  46           HE2      LYS  46  33.053  -1.263  24.235
  366    HZ1  LYS  46           HZ1      LYS  46  35.153  -1.833  23.258
  367    HZ2  LYS  46           HZ2      LYS  46  34.641  -0.381  22.667
  368    HZ3  LYS  46           HZ3      LYS  46  35.844  -0.435  23.794
  369    H    LYS  47           HN       LYS  47  29.490   1.762  27.741
  370    HA   LYS  47           HA       LYS  47  27.941  -0.739  27.637
  371    HB2  LYS  47           HB1      LYS  47  26.945   1.291  28.642
  372    HB3  LYS  47           HB2      LYS  47  27.123   2.147  27.117
  373    HG2  LYS  47           HG1      LYS  47  25.549   0.597  26.040
  374    HG3  LYS  47           HG2      LYS  47  25.390  -0.303  27.556
  375    HD2  LYS  47           HD1      LYS  47  24.492   1.702  28.671
  376    HD3  LYS  47           HD2      LYS  47  24.689   2.633  27.178
  377    HE2  LYS  47           HE1      LYS  47  23.113   1.098  26.027
  378    HE3  LYS  47           HE2      LYS  47  22.901   0.198  27.531
  379    HZ1  LYS  47           HZ1      LYS  47  21.152   1.784  27.199
  380    HZ2  LYS  47           HZ2      LYS  47  22.027   2.194  28.535
  381    HZ3  LYS  47           HZ3      LYS  47  22.224   3.035  27.131
  382    H    VAL  48           HN       VAL  48  27.637  -1.923  25.909
  383    HA   VAL  48           HA       VAL  48  28.204  -0.671  23.254
  384    HB   VAL  48           HB       VAL  48  28.485  -3.587  24.098
  385   HG11  VAL  48          HG11      VAL  48  29.521  -3.904  21.904
  386   HG12  VAL  48          HG12      VAL  48  27.828  -3.372  21.771
  387   HG13  VAL  48          HG13      VAL  48  29.150  -2.215  21.486
  388   HG21  VAL  48          HG21      VAL  48  30.909  -3.171  23.826
  389   HG22  VAL  48          HG22      VAL  48  30.573  -1.459  23.472
  390   HG23  VAL  48          HG23      VAL  48  30.213  -2.123  25.084
  391    H    GLU  49           HN       GLU  49  26.579  -0.516  21.878
  392    HA   GLU  49           HA       GLU  49  24.451  -2.572  21.912
  393    HB2  GLU  49           HB1      GLU  49  23.629  -0.757  23.395
  394    HB3  GLU  49           HB2      GLU  49  23.877   0.413  22.107
  395    HG2  GLU  49           HG1      GLU  49  22.193  -0.692  20.733
  396    HG3  GLU  49           HG2      GLU  49  21.982  -1.940  21.958
  397    H    ILE  50           HN       ILE  50  24.091  -3.258  19.937
  398    HA   ILE  50           HA       ILE  50  24.748  -1.425  17.675
  399    HB   ILE  50           HB       ILE  50  24.586  -4.469  17.730
  400   HG12  ILE  50          HG11      ILE  50  26.998  -2.673  17.402
  401   HG13  ILE  50          HG12      ILE  50  26.540  -3.451  18.909
  402   HG21  ILE  50          HG21      ILE  50  25.459  -4.330  15.433
  403   HG22  ILE  50          HG22      ILE  50  23.877  -3.528  15.565
  404   HG23  ILE  50          HG23      ILE  50  25.364  -2.554  15.500
  405   HD11  ILE  50          HD11      ILE  50  28.277  -4.710  17.765
  406   HD12  ILE  50          HD12      ILE  50  26.774  -5.658  17.856
  407   HD13  ILE  50          HD13      ILE  50  27.240  -4.871  16.329
  408    H    VAL  51           HN       VAL  51  23.167  -0.640  16.487
  409    HA   VAL  51           HA       VAL  51  20.490  -1.952  16.723
  410    HB   VAL  51           HB       VAL  51  21.141   1.010  16.401
  411   HG11  VAL  51          HG11      VAL  51  18.733   1.362  16.658
  412   HG12  VAL  51          HG12      VAL  51  19.116   0.406  15.207
  413   HG13  VAL  51          HG13      VAL  51  18.477  -0.399  16.661
  414   HG21  VAL  51          HG21      VAL  51  20.175   1.201  18.671
  415   HG22  VAL  51          HG22      VAL  51  19.969  -0.566  18.731
  416   HG23  VAL  51          HG23      VAL  51  21.602   0.139  18.667
  417    H    ARG  52           HN       ARG  52  19.632  -2.679  14.909
  418    HA   ARG  52           HA       ARG  52  20.870  -1.950  12.336
  419    HB2  ARG  52           HB1      ARG  52  20.367  -4.306  12.769
  420    HB3  ARG  52           HB2      ARG  52  18.673  -3.927  13.039
  421    HG2  ARG  52           HG1      ARG  52  18.457  -3.216  10.688
  422    HG3  ARG  52           HG2      ARG  52  20.167  -3.632  10.422
  423    HD2  ARG  52           HD1      ARG  52  18.087  -5.565  11.409
  424    HD3  ARG  52           HD2      ARG  52  18.550  -5.362   9.703
  425    HE   ARG  52           HE       ARG  52  20.940  -5.814  10.824
  426   HH11  ARG  52          HH11      ARG  52  17.861  -7.447  11.259
  427   HH12  ARG  52          HH12      ARG  52  18.590  -8.999  11.608
  428   HH21  ARG  52          HH21      ARG  52  21.876  -7.833  11.278
  429   HH22  ARG  52          HH22      ARG  52  20.863  -9.218  11.619
  430    H    ILE  53           HN       ILE  53  20.234  -0.123  11.419
  431    HA   ILE  53           HA       ILE  53  17.495   0.868  11.845
  432    HB   ILE  53           HB       ILE  53  19.864   2.058  10.341
  433   HG12  ILE  53          HG11      ILE  53  18.657   2.894  12.984
  434   HG13  ILE  53          HG12      ILE  53  20.047   1.830  12.843
  435   HG21  ILE  53          HG21      ILE  53  18.528   4.125  10.294
  436   HG22  ILE  53          HG22      ILE  53  17.715   2.818   9.402
  437   HG23  ILE  53          HG23      ILE  53  17.158   3.262  11.032
  438   HD11  ILE  53          HD11      ILE  53  20.737   4.122  13.267
  439   HD12  ILE  53          HD12      ILE  53  21.291   3.589  11.661
  440   HD13  ILE  53          HD13      ILE  53  19.883   4.668  11.805
  441    H    PHE  54           HN       PHE  54  15.865   0.388  10.576
  442    HA   PHE  54           HA       PHE  54  16.460  -0.588   7.825
  443    HB2  PHE  54           HB1      PHE  54  15.178  -2.162   9.156
  444    HB3  PHE  54           HB2      PHE  54  14.025  -0.919   9.617
  445    HD1  PHE  54           HD1      PHE  54  15.486  -1.931   6.318
  446    HD2  PHE  54           HD2      PHE  54  11.976  -1.371   8.689
  447    HE1  PHE  54           HE1      PHE  54  14.079  -2.515   4.371
  448    HE2  PHE  54           HE2      PHE  54  10.566  -1.957   6.744
  449    HZ   PHE  54           HZ       PHE  54  11.619  -2.528   4.584
  450    H    SER  55           HN       SER  55  15.949   0.558   6.097
  451    HA   SER  55           HA       SER  55  13.829   2.623   6.314
  452    HB2  SER  55           HB1      SER  55  15.223   4.314   5.266
  453    HB3  SER  55           HB2      SER  55  15.976   3.765   6.756
  454    HG   SER  55           HG       SER  55  17.249   2.372   5.500
  455    H    VAL  56           HN       VAL  56  12.927   3.279   4.318
  456    HA   VAL  56           HA       VAL  56  13.716   1.585   1.987
  457    HB   VAL  56           HB       VAL  56  10.886   2.340   2.834
  458   HG11  VAL  56          HG11      VAL  56  10.166   0.969   0.939
  459   HG12  VAL  56          HG12      VAL  56  11.131   2.371   0.419
  460   HG13  VAL  56          HG13      VAL  56  11.864   0.749   0.454
  461   HG21  VAL  56          HG21      VAL  56  10.607  -0.100   3.134
  462   HG22  VAL  56          HG22      VAL  56  12.321  -0.345   2.720
  463   HG23  VAL  56          HG23      VAL  56  11.880   0.538   4.201
  464    H    ASN  57           HN       ASN  57  14.232   2.705   0.238
  465    HA   ASN  57           HA       ASN  57  14.683   4.535  -1.083
  466    HB2  ASN  57           HB1      ASN  57  12.129   4.354  -1.289
  467    HB3  ASN  57           HB2      ASN  57  12.047   5.686  -0.143
  468   HD21  ASN  57          HD21      ASN  57  12.064   7.823  -2.880
  469   HD22  ASN  57          HD22      ASN  57  11.208   7.186  -1.516
  470    H    LYS  58           HN       LYS  58  15.835   4.554   1.437
  471    HA   LYS  58           HA       LYS  58  16.945   5.966   2.875
  472    HB2  LYS  58           HB1      LYS  58  16.177   8.111   0.855
  473    HB3  LYS  58           HB2      LYS  58  17.389   8.281   2.118
  474    HG2  LYS  58           HG1      LYS  58  18.709   6.453   1.064
  475    HG3  LYS  58           HG2      LYS  58  17.510   6.374  -0.235
  476    HD2  LYS  58           HD1      LYS  58  17.957   8.758  -0.775
  477    HD3  LYS  58           HD2      LYS  58  19.184   8.805   0.500
  478    HE2  LYS  58           HE1      LYS  58  20.474   7.053  -0.660
  479    HE3  LYS  58           HE2      LYS  58  19.241   6.964  -1.921
  480    HZ1  LYS  58           HZ1      LYS  58  21.084   8.327  -2.582
  481    HZ2  LYS  58           HZ2      LYS  58  19.721   9.251  -2.470
  482    HZ3  LYS  58           HZ3      LYS  58  20.873   9.333  -1.292
  483    H    GLU  59           HN       GLU  59  14.097   5.438   3.234
  484    HA   GLU  59           HA       GLU  59  13.533   7.803   4.972
  485    HB2  GLU  59           HB1      GLU  59  11.926   7.692   3.084
  486    HB3  GLU  59           HB2      GLU  59  11.504   6.046   3.533
  487    HG2  GLU  59           HG1      GLU  59  10.618   6.836   5.675
  488    HG3  GLU  59           HG2      GLU  59  11.082   8.487   5.270
  489    H    GLU  60           HN       GLU  60  13.688   7.333   7.036
  490    HA   GLU  60           HA       GLU  60  14.230   4.705   7.952
  491    HB2  GLU  60           HB1      GLU  60  14.910   6.830   9.104
  492    HB3  GLU  60           HB2      GLU  60  13.238   7.073   9.589
  493    HG2  GLU  60           HG1      GLU  60  13.283   5.035  10.915
  494    HG3  GLU  60           HG2      GLU  60  14.917   4.678  10.362
  495    H    VAL  61           HN       VAL  61  13.014   3.039   8.477
  496    HA   VAL  61           HA       VAL  61  10.073   3.496   8.702
  497    HB   VAL  61           HB       VAL  61  11.631   0.977   7.979
  498   HG11  VAL  61          HG11      VAL  61   9.444  -0.018   7.514
  499   HG12  VAL  61          HG12      VAL  61   9.622   0.430   9.228
  500   HG13  VAL  61          HG13      VAL  61   8.647   1.446   8.138
  501   HG21  VAL  61          HG21      VAL  61  10.594   1.303   5.756
  502   HG22  VAL  61          HG22      VAL  61   9.839   2.808   6.331
  503   HG23  VAL  61          HG23      VAL  61  11.610   2.693   6.202
  504    H    SER  62           HN       SER  62  12.684   1.402   9.994
  505    HA   SER  62           HA       SER  62  11.634   1.659  12.701
  506    HB2  SER  62           HB1      SER  62  11.000  -0.622  13.049
  507    HB3  SER  62           HB2      SER  62  10.114  -0.040  11.648
  508    HG   SER  62           HG       SER  62  11.811  -2.055  11.852
  509    H    ARG  63           HN       ARG  63  12.804  -0.123  14.126
  510    HA   ARG  63           HA       ARG  63  15.582  -0.485  13.125
  511    HB2  ARG  63           HB1      ARG  63  14.857   0.730  15.814
  512    HB3  ARG  63           HB2      ARG  63  16.479   0.308  15.287
  513    HG2  ARG  63           HG1      ARG  63  16.315   1.974  13.469
  514    HG3  ARG  63           HG2      ARG  63  14.693   2.420  14.053
  515    HD2  ARG  63           HD1      ARG  63  15.722   2.938  16.254
  516    HD3  ARG  63           HD2      ARG  63  17.313   2.688  15.500
  517    HE   ARG  63           HE       ARG  63  15.799   4.519  13.947
  518   HH11  ARG  63          HH11      ARG  63  17.482   4.284  17.021
  519   HH12  ARG  63          HH12      ARG  63  17.846   5.993  17.095
  520   HH21  ARG  63          HH21      ARG  63  16.278   6.737  14.054
  521   HH22  ARG  63          HH22      ARG  63  17.165   7.382  15.417
  522    H    GLU  64           HN       GLU  64  16.718  -2.194  14.016
  523    HA   GLU  64           HA       GLU  64  15.112  -3.985  15.792
  524    HB2  GLU  64           HB1      GLU  64  16.975  -4.781  13.518
  525    HB3  GLU  64           HB2      GLU  64  16.199  -5.903  14.626
  526    HG2  GLU  64           HG1      GLU  64  13.996  -5.219  13.814
  527    HG3  GLU  64           HG2      GLU  64  14.742  -4.037  12.740
  528    H    ILE  65           HN       ILE  65  16.184  -5.152  17.363
  529    HA   ILE  65           HA       ILE  65  18.745  -4.002  18.214
  530    HB   ILE  65           HB       ILE  65  16.962  -6.137  19.459
  531   HG12  ILE  65          HG11      ILE  65  17.446  -3.278  20.318
  532   HG13  ILE  65          HG12      ILE  65  16.079  -3.789  19.340
  533   HG21  ILE  65          HG21      ILE  65  18.373  -5.865  21.458
  534   HG22  ILE  65          HG22      ILE  65  19.324  -6.469  20.083
  535   HG23  ILE  65          HG23      ILE  65  19.440  -4.760  20.560
  536   HD11  ILE  65          HD11      ILE  65  15.459  -3.605  21.683
  537   HD12  ILE  65          HD12      ILE  65  15.339  -5.294  21.135
  538   HD13  ILE  65          HD13      ILE  65  16.723  -4.775  22.128
  539    H    VAL  66           HN       VAL  66  20.674  -4.771  17.763
  540    HA   VAL  66           HA       VAL  66  20.847  -7.468  16.525
  541    HB   VAL  66           HB       VAL  66  22.842  -5.163  16.604
  542   HG11  VAL  66          HG11      VAL  66  24.134  -6.470  14.988
  543   HG12  VAL  66          HG12      VAL  66  23.989  -7.302  16.554
  544   HG13  VAL  66          HG13      VAL  66  22.994  -7.824  15.172
  545   HG21  VAL  66          HG21      VAL  66  22.312  -4.985  14.194
  546   HG22  VAL  66          HG22      VAL  66  21.114  -6.290  14.362
  547   HG23  VAL  66          HG23      VAL  66  20.860  -4.737  15.192
  548    H    SER  67           HN       SER  67  22.592  -5.430  18.904
  549    HA   SER  67           HA       SER  67  23.066  -7.795  20.579
  550    HB2  SER  67           HB1      SER  67  24.923  -7.935  18.986
  551    HB3  SER  67           HB2      SER  67  25.359  -6.264  19.307
  552    HG   SER  67           HG       SER  67  25.767  -8.531  20.774
  553    H    THR  68           HN       THR  68  23.264  -7.303  22.686
  554    HA   THR  68           HA       THR  68  23.955  -4.500  23.406
  555    HB   THR  68           HB       THR  68  21.613  -6.056  24.589
  556    HG1  THR  68           HG1      THR  68  21.487  -3.575  23.222
  557   HG21  THR  68          HG21      THR  68  21.199  -3.985  25.857
  558   HG22  THR  68          HG22      THR  68  22.797  -4.662  26.250
  559   HG23  THR  68          HG23      THR  68  22.667  -3.260  25.163
  560    H    SER  69           HN       SER  69  25.466  -4.367  24.898
  561    HA   SER  69           HA       SER  69  25.613  -6.269  27.096
  562    HB2  SER  69           HB1      SER  69  26.734  -7.583  25.363
  563    HB3  SER  69           HB2      SER  69  27.802  -6.238  24.992
  564    HG   SER  69           HG       SER  69  27.803  -8.001  27.086
  565    H    THR  70           HN       THR  70  26.226  -5.191  28.825
  566    HA   THR  70           HA       THR  70  27.760  -2.663  28.399
  567    HB   THR  70           HB       THR  70  25.814  -3.380  30.635
  568    HG1  THR  70           HG1      THR  70  24.385  -2.274  29.496
  569   HG21  THR  70          HG21      THR  70  26.111  -1.033  31.324
  570   HG22  THR  70          HG22      THR  70  27.653  -1.918  31.399
  571   HG23  THR  70          HG23      THR  70  27.328  -0.807  30.047
  572    H    THR  71           HN       THR  71  29.751  -2.582  29.128
  573    HA   THR  71           HA       THR  71  30.648  -4.563  31.131
  574    HB   THR  71           HB       THR  71  32.196  -2.460  29.558
  575    HG1  THR  71           HG1      THR  71  31.426  -4.239  28.317
  576   HG21  THR  71          HG21      THR  71  34.198  -3.626  30.395
  577   HG22  THR  71          HG22      THR  71  33.247  -2.950  31.739
  578   HG23  THR  71          HG23      THR  71  33.171  -4.691  31.381
  579    H    ALA  72           HN       ALA  72  30.577  -4.167  33.209
  580    HA   ALA  72           HA       ALA  72  29.910  -1.522  34.183
  581    HB1  ALA  72           HB1      ALA  72  30.001  -2.584  36.416
  582    HB2  ALA  72           HB2      ALA  72  29.035  -3.542  35.269
  583    HB3  ALA  72           HB3      ALA  72  30.688  -4.051  35.681
  584    HA   PRO  73           HA       PRO  73  33.980  -0.098  34.897
  585    HB2  PRO  73           HB1      PRO  73  33.467   2.056  36.478
  586    HB3  PRO  73           HB2      PRO  73  32.980   2.032  34.778
  587    HG2  PRO  73           HG1      PRO  73  31.307   1.418  37.253
  588    HG3  PRO  73           HG2      PRO  73  30.906   2.478  35.899
  589    HD2  PRO  73           HD1      PRO  73  30.015  -0.112  36.032
  590    HD3  PRO  73           HD2      PRO  73  30.390   0.697  34.458
  591    H    SER  74           HN       SER  74  35.373   0.587  36.877
  592    HA   SER  74           HA       SER  74  34.545  -0.900  39.327
  593    HB2  SER  74           HB1      SER  74  36.112  -2.318  38.114
  594    HB3  SER  74           HB2      SER  74  37.250  -0.989  37.954
  595    HG   SER  74           HG       SER  74  37.943  -1.409  39.823
  596    HA   PRO  75           HA       PRO  75  35.483   3.246  40.825
  597    HB2  PRO  75           HB1      PRO  75  34.491   1.780  43.292
  598    HB3  PRO  75           HB2      PRO  75  34.087   3.406  42.727
  599    HG2  PRO  75           HG1      PRO  75  32.315   1.460  42.334
  600    HG3  PRO  75           HG2      PRO  75  32.625   2.607  41.027
  601    HD2  PRO  75           HD1      PRO  75  33.712  -0.215  41.399
  602    HD3  PRO  75           HD2      PRO  75  33.069   0.569  39.900
  603    H    ARG  76           HN       ARG  76  37.307   3.933  41.878
  604    HA   ARG  76           HA       ARG  76  39.238   1.815  42.585
  605    HB2  ARG  76           HB1      ARG  76  39.869   3.669  41.038
  606    HB3  ARG  76           HB2      ARG  76  39.632   4.818  42.346
  607    HG2  ARG  76           HG1      ARG  76  41.510   4.062  43.523
  608    HG3  ARG  76           HG2      ARG  76  41.574   2.529  42.619
  609    HD2  ARG  76           HD1      ARG  76  43.323   3.948  41.861
  610    HD3  ARG  76           HD2      ARG  76  42.094   3.827  40.582
  611    HE   ARG  76           HE       ARG  76  41.655   6.099  42.288
  612   HH11  ARG  76          HH11      ARG  76  43.572   4.914  39.593
  613   HH12  ARG  76          HH12      ARG  76  43.866   6.509  38.938
  614   HH21  ARG  76          HH21      ARG  76  42.044   8.165  41.428
  615   HH22  ARG  76          HH22      ARG  76  43.002   8.350  39.976
  616    H    ILE  77           HN       ILE  77  39.690   1.238  44.585
  617    HA   ILE  77           HA       ILE  77  39.013   3.155  46.777
  618    HB   ILE  77           HB       ILE  77  38.936   0.107  46.822
  619   HG12  ILE  77          HG11      ILE  77  36.679   2.106  47.082
  620   HG13  ILE  77          HG12      ILE  77  37.074   1.240  45.605
  621   HG21  ILE  77          HG21      ILE  77  38.071   0.384  49.110
  622   HG22  ILE  77          HG22      ILE  77  39.714   1.050  48.963
  623   HG23  ILE  77          HG23      ILE  77  38.311   2.143  48.992
  624   HD11  ILE  77          HD11      ILE  77  35.235   0.172  46.785
  625   HD12  ILE  77          HD12      ILE  77  36.654  -0.902  46.735
  626   HD13  ILE  77          HD13      ILE  77  36.253  -0.024  48.230
  627    H    VAL  78           HN       VAL  78  40.637   3.871  47.948
  628    HA   VAL  78           HA       VAL  78  43.189   2.313  47.870
  629    HB   VAL  78           HB       VAL  78  42.821   5.339  47.941
  630   HG11  VAL  78          HG11      VAL  78  45.256   5.440  47.730
  631   HG12  VAL  78          HG12      VAL  78  44.751   4.642  49.239
  632   HG13  VAL  78          HG13      VAL  78  45.341   3.668  47.871
  633   HG21  VAL  78          HG21      VAL  78  43.852   5.257  45.693
  634   HG22  VAL  78          HG22      VAL  78  43.886   3.479  45.776
  635   HG23  VAL  78          HG23      VAL  78  42.328   4.339  45.737
  636    H    GLU  79           HN       GLU  79  44.051   1.756  49.753
  637    HA   GLU  79           HA       GLU  79  42.788   2.740  52.231
  638    HB2  GLU  79           HB1      GLU  79  44.938   0.633  51.765
  639    HB3  GLU  79           HB2      GLU  79  44.228   1.016  53.327
  640    HG2  GLU  79           HG1      GLU  79  42.030   0.294  52.529
  641    HG3  GLU  79           HG2      GLU  79  42.703  -0.040  50.936
  642    H    LYS  80           HN       LYS  80  43.664   4.078  53.677
  643    HA   LYS  80           HA       LYS  80  46.444   5.028  53.120
  644    HB2  LYS  80           HB1      LYS  80  44.742   6.741  52.567
  645    HB3  LYS  80           HB2      LYS  80  44.083   6.625  54.192
  646    HG2  LYS  80           HG1      LYS  80  46.192   7.464  55.131
  647    HG3  LYS  80           HG2      LYS  80  46.890   7.545  53.507
  648    HD2  LYS  80           HD1      LYS  80  45.158   9.170  52.833
  649    HD3  LYS  80           HD2      LYS  80  44.436   9.077  54.446
  650    HE2  LYS  80           HE1      LYS  80  46.538   9.925  55.436
  651    HE3  LYS  80           HE2      LYS  80  47.261  10.018  53.828
  652    HZ1  LYS  80           HZ1      LYS  80  46.419  12.133  54.540
  653    HZ2  LYS  80           HZ2      LYS  80  45.571  11.611  53.224
  654    HZ3  LYS  80           HZ3      LYS  80  44.897  11.525  54.727
  655    H    GLY  81           HN       GLY  81  47.876   4.810  54.672
  656    HA2  GLY  81           HA1      GLY  81  47.200   3.558  57.179
  657    HA3  GLY  81           HA2      GLY  81  48.771   4.195  56.729
  658    H    THR  82           HN       THR  82  47.918   4.492  59.307
  659    HA   THR  82           HA       THR  82  47.532   7.383  59.598
  660    HB   THR  82           HB       THR  82  45.190   6.521  59.299
  661    HG1  THR  82           HG1      THR  82  44.439   7.672  61.075
  662   HG21  THR  82          HG21      THR  82  44.209   5.168  61.110
  663   HG22  THR  82          HG22      THR  82  45.525   4.286  60.298
  664   HG23  THR  82          HG23      THR  82  45.805   5.040  61.884
  665    H    LYS  83           HN       LYS  83  46.823   7.558  62.209
  666    HA   LYS  83           HA       LYS  83  49.282   6.517  63.472
  667    HB2  LYS  83           HB1      LYS  83  47.204   8.539  64.397
  668    HB3  LYS  83           HB2      LYS  83  48.596   8.054  65.355
  669    HG2  LYS  83           HG1      LYS  83  50.104   8.909  63.587
  670    HG3  LYS  83           HG2      LYS  83  48.693   9.422  62.651
  671    HD2  LYS  83           HD1      LYS  83  47.991  10.859  64.581
  672    HD3  LYS  83           HD2      LYS  83  49.486  10.409  65.415
  673    HE2  LYS  83           HE1      LYS  83  49.362  11.770  62.699
  674    HE3  LYS  83           HE2      LYS  83  49.637  12.603  64.232
  675    HZ1  LYS  83           HZ1      LYS  83  51.685  12.131  63.105
  676    HZ2  LYS  83           HZ2      LYS  83  51.624  11.289  64.522
  677    HZ3  LYS  83           HZ3      LYS  83  51.368  10.512  63.090
  678    H    LYS  84           HN       LYS  84  45.826   6.048  63.534
  679    HA   LYS  84           HA       LYS  84  45.456   4.916  66.068
  680    HB2  LYS  84           HB1      LYS  84  44.186   4.135  63.415
  681    HB3  LYS  84           HB2      LYS  84  43.614   3.583  64.983
  682    HG2  LYS  84           HG1      LYS  84  43.077   5.864  65.643
  683    HG3  LYS  84           HG2      LYS  84  43.769   6.492  64.141
  684    HD2  LYS  84           HD1      LYS  84  42.083   5.225  62.839
  685    HD3  LYS  84           HD2      LYS  84  41.387   4.611  64.346
  686    HE2  LYS  84           HE1      LYS  84  40.769   6.855  65.042
  687    HE3  LYS  84           HE2      LYS  84  41.615   7.564  63.664
  688    HZ1  LYS  84           HZ1      LYS  84  39.265   7.431  63.282
  689    HZ2  LYS  84           HZ2      LYS  84  40.058   6.457  62.212
  690    HZ3  LYS  84           HZ3      LYS  84  39.267   5.796  63.500
  Start of MODEL    5
    1    H1   GLY   1          1HN       GLY   1  -0.334  -0.943  -0.000
    2    H2   GLY   1          2HN       GLY   1  -0.334   0.471   0.816
    3    H3   GLY   1          3HN       GLY   1  -0.334   0.471  -0.816
    4    HA2  GLY   1           HA1      GLY   1   1.822  -0.535   0.877
    5    HA3  GLY   1           HA2      GLY   1   1.822  -0.535  -0.876
    6    H    SER   2           HN       SER   2   3.382   0.901   1.392
    7    HA   SER   2           HA       SER   2   2.879   3.712   1.065
    8    HB2  SER   2           HB1      SER   2   4.076   2.857   3.002
    9    HB3  SER   2           HB2      SER   2   5.341   2.192   1.980
   10    HG   SER   2           HG       SER   2   6.205   4.043   1.839
   11    H    HIS   3           HN       HIS   3   3.397   5.071  -0.498
   12    HA   HIS   3           HA       HIS   3   4.792   3.965  -2.858
   13    HB2  HIS   3           HB1      HIS   3   3.345   6.605  -2.429
   14    HB3  HIS   3           HB2      HIS   3   4.043   6.072  -3.952
   15    HD2  HIS   3           HD2      HIS   3   0.738   5.870  -2.111
   16    HE1  HIS   3           HE1      HIS   3   0.647   2.794  -5.059
   17    HE2  HIS   3           HE2      HIS   3  -0.729   4.139  -3.386
   18    H    ASN   4           HN       ASN   4   6.774   3.951  -1.322
   19    HA   ASN   4           HA       ASN   4   8.493   6.057  -2.336
   20    HB2  ASN   4           HB1      ASN   4   9.267   6.857  -0.120
   21    HB3  ASN   4           HB2      ASN   4   7.601   7.303  -0.464
   22   HD21  ASN   4          HD21      ASN   4   7.089   6.229   2.847
   23   HD22  ASN   4          HD22      ASN   4   7.374   7.595   1.820
   24    H    LYS   5           HN       LYS   5  10.741   5.847  -1.100
   25    HA   LYS   5           HA       LYS   5  11.406   2.974  -1.352
   26    HB2  LYS   5           HB1      LYS   5  12.736   4.657  -2.614
   27    HB3  LYS   5           HB2      LYS   5  13.217   5.408  -1.099
   28    HG2  LYS   5           HG1      LYS   5  14.324   3.274  -0.431
   29    HG3  LYS   5           HG2      LYS   5  13.913   2.605  -2.017
   30    HD2  LYS   5           HD1      LYS   5  15.191   4.427  -3.111
   31    HD3  LYS   5           HD2      LYS   5  15.615   5.076  -1.520
   32    HE2  LYS   5           HE1      LYS   5  16.669   2.834  -0.988
   33    HE3  LYS   5           HE2      LYS   5  16.410   2.382  -2.674
   34    HZ1  LYS   5           HZ1      LYS   5  18.604   3.247  -2.320
   35    HZ2  LYS   5           HZ2      LYS   5  17.766   4.252  -3.324
   36    HZ3  LYS   5           HZ3      LYS   5  18.009   4.674  -1.748
   37    HA   PRO   6           HA       PRO   6  11.595   2.740   3.042
   38    HB2  PRO   6           HB1      PRO   6  11.994   0.058   3.261
   39    HB3  PRO   6           HB2      PRO   6  10.435   0.711   2.743
   40    HG2  PRO   6           HG1      PRO   6  12.713  -0.378   1.033
   41    HG3  PRO   6           HG2      PRO   6  10.993  -0.767   0.938
   42    HD2  PRO   6           HD1      PRO   6  12.158   1.103  -0.699
   43    HD3  PRO   6           HD2      PRO   6  10.440   1.240  -0.146
   44    H    GLU   7           HN       GLU   7  13.740   3.980   2.224
   45    HA   GLU   7           HA       GLU   7  16.153   2.313   2.507
   46    HB2  GLU   7           HB1      GLU   7  16.067   4.125   0.807
   47    HB3  GLU   7           HB2      GLU   7  15.846   5.314   2.083
   48    HG2  GLU   7           HG1      GLU   7  18.053   4.739   3.007
   49    HG3  GLU   7           HG2      GLU   7  18.275   3.543   1.732
   50    H    LEU   8           HN       LEU   8  16.571   1.674   4.517
   51    HA   LEU   8           HA       LEU   8  16.195   3.600   6.740
   52    HB2  LEU   8           HB1      LEU   8  16.546   0.617   6.538
   53    HB3  LEU   8           HB2      LEU   8  16.942   1.436   8.052
   54    HG   LEU   8           HG       LEU   8  14.604   2.335   8.122
   55   HD11  LEU   8          HD11      LEU   8  12.935   1.342   6.621
   56   HD12  LEU   8          HD12      LEU   8  14.152   2.279   5.723
   57   HD13  LEU   8          HD13      LEU   8  14.231   0.501   5.737
   58   HD21  LEU   8          HD21      LEU   8  13.587   0.170   8.743
   59   HD22  LEU   8          HD22      LEU   8  14.892  -0.689   7.889
   60   HD23  LEU   8          HD23      LEU   8  15.263   0.283   9.333
   61    H    LEU   9           HN       LEU   9  17.817   4.826   7.357
   62    HA   LEU   9           HA       LEU   9  20.590   3.853   6.825
   63    HB2  LEU   9           HB1      LEU   9  19.586   6.697   7.202
   64    HB3  LEU   9           HB2      LEU   9  21.250   6.223   6.845
   65    HG   LEU   9           HG       LEU   9  18.871   5.825   4.995
   66   HD11  LEU   9          HD11      LEU   9  19.927   7.601   3.669
   67   HD12  LEU   9          HD12      LEU   9  19.462   8.177   5.287
   68   HD13  LEU   9          HD13      LEU   9  21.165   7.806   4.931
   69   HD21  LEU   9          HD21      LEU   9  20.610   5.206   3.351
   70   HD22  LEU   9          HD22      LEU   9  21.859   5.377   4.608
   71   HD23  LEU   9          HD23      LEU   9  20.626   4.101   4.747
   72    H    TYR  10           HN       TYR  10  22.128   3.885   8.400
   73    HA   TYR  10           HA       TYR  10  21.244   4.769  11.111
   74    HB2  TYR  10           HB1      TYR  10  22.801   2.230  10.467
   75    HB3  TYR  10           HB2      TYR  10  22.414   2.814  12.080
   76    HD1  TYR  10           HD1      TYR  10  21.195   1.077   9.131
   77    HD2  TYR  10           HD2      TYR  10  20.063   2.835  12.878
   78    HE1  TYR  10           HE1      TYR  10  19.058  -0.163   9.068
   79    HE2  TYR  10           HE2      TYR  10  17.927   1.594  12.815
   80    HH   TYR  10           HH       TYR  10  16.662   0.164  11.692
   81    H    ARG  11           HN       ARG  11  22.378   6.719  10.702
   82    HA   ARG  11           HA       ARG  11  25.234   6.541  10.039
   83    HB2  ARG  11           HB1      ARG  11  23.805   8.304   9.048
   84    HB3  ARG  11           HB2      ARG  11  23.486   8.950  10.651
   85    HG2  ARG  11           HG1      ARG  11  25.856   9.510  10.921
   86    HG3  ARG  11           HG2      ARG  11  26.201   8.828   9.313
   87    HD2  ARG  11           HD1      ARG  11  24.791  10.463   8.274
   88    HD3  ARG  11           HD2      ARG  11  24.309  11.101   9.863
   89    HE   ARG  11           HE       ARG  11  26.367  12.154  10.071
   90   HH11  ARG  11          HH11      ARG  11  26.297  10.134   7.198
   91   HH12  ARG  11          HH12      ARG  11  27.750  10.833   6.519
   92   HH21  ARG  11          HH21      ARG  11  28.252  13.053   9.179
   93   HH22  ARG  11          HH22      ARG  11  28.857  12.485   7.639
   94    H    GLU  12           HN       GLU  12  26.582   5.972  11.607
   95    HA   GLU  12           HA       GLU  12  26.066   6.906  14.372
   96    HB2  GLU  12           HB1      GLU  12  28.097   4.942  13.237
   97    HB3  GLU  12           HB2      GLU  12  27.981   5.373  14.937
   98    HG2  GLU  12           HG1      GLU  12  25.716   4.459  15.040
   99    HG3  GLU  12           HG2      GLU  12  25.775   4.078  13.320
  100    H    GLU  13           HN       GLU  13  26.970   8.656  15.155
  101    HA   GLU  13           HA       GLU  13  29.537   9.573  13.925
  102    HB2  GLU  13           HB1      GLU  13  27.262  11.234  15.080
  103    HB3  GLU  13           HB2      GLU  13  28.816  11.887  14.581
  104    HG2  GLU  13           HG1      GLU  13  28.388  11.105  12.273
  105    HG3  GLU  13           HG2      GLU  13  26.813  10.501  12.786
  106    H    THR  14           HN       THR  14  31.195  10.154  15.220
  107    HA   THR  14           HA       THR  14  30.876   9.425  18.080
  108    HB   THR  14           HB       THR  14  33.392   9.866  16.414
  109    HG1  THR  14           HG1      THR  14  33.523   7.552  16.703
  110   HG21  THR  14          HG21      THR  14  34.566   8.906  18.355
  111   HG22  THR  14          HG22      THR  14  33.726  10.410  18.801
  112   HG23  THR  14          HG23      THR  14  33.033   8.836  19.254
  113    H    ILE  15           HN       ILE  15  30.541  10.943  19.517
  114    HA   ILE  15           HA       ILE  15  31.451  13.708  18.926
  115    HB   ILE  15           HB       ILE  15  29.580  12.632  21.079
  116   HG12  ILE  15          HG11      ILE  15  28.940  14.361  18.684
  117   HG13  ILE  15          HG12      ILE  15  28.773  12.612  18.690
  118   HG21  ILE  15          HG21      ILE  15  29.119  15.001  21.564
  119   HG22  ILE  15          HG22      ILE  15  30.829  14.609  21.858
  120   HG23  ILE  15          HG23      ILE  15  30.359  15.488  20.384
  121   HD11  ILE  15          HD11      ILE  15  26.643  13.698  19.130
  122   HD12  ILE  15          HD12      ILE  15  27.171  12.758  20.547
  123   HD13  ILE  15          HD13      ILE  15  27.339  14.530  20.540
  124    H    GLU  16           HN       GLU  16  33.127  14.616  19.885
  125    HA   GLU  16           HA       GLU  16  34.159  13.356  22.387
  126    HB2  GLU  16           HB1      GLU  16  35.771  14.302  19.985
  127    HB3  GLU  16           HB2      GLU  16  36.478  13.913  21.546
  128    HG2  GLU  16           HG1      GLU  16  35.595  11.601  21.338
  129    HG3  GLU  16           HG2      GLU  16  34.977  12.008  19.738
  130    H    THR  17           HN       THR  17  33.467  14.839  23.821
  131    HA   THR  17           HA       THR  17  33.920  17.706  23.254
  132    HB   THR  17           HB       THR  17  32.563  16.317  25.605
  133    HG1  THR  17           HG1      THR  17  31.356  17.939  23.613
  134   HG21  THR  17          HG21      THR  17  31.784  18.576  26.204
  135   HG22  THR  17          HG22      THR  17  33.560  18.483  26.251
  136   HG23  THR  17          HG23      THR  17  32.747  19.265  24.876
  137    H    LYS  18           HN       LYS  18  35.688  18.722  23.831
  138    HA   LYS  18           HA       LYS  18  37.802  17.360  25.190
  139    HB2  LYS  18           HB1      LYS  18  37.410  20.301  24.518
  140    HB3  LYS  18           HB2      LYS  18  38.894  19.647  25.197
  141    HG2  LYS  18           HG1      LYS  18  39.150  18.182  23.220
  142    HG3  LYS  18           HG2      LYS  18  37.669  18.867  22.535
  143    HD2  LYS  18           HD1      LYS  18  38.706  21.120  22.562
  144    HD3  LYS  18           HD2      LYS  18  40.191  20.422  23.226
  145    HE2  LYS  18           HE1      LYS  18  40.451  19.024  21.215
  146    HE3  LYS  18           HE2      LYS  18  38.948  19.672  20.553
  147    HZ1  LYS  18           HZ1      LYS  18  40.858  20.780  19.652
  148    HZ2  LYS  18           HZ2      LYS  18  39.961  21.847  20.534
  149    HZ3  LYS  18           HZ3      LYS  18  41.366  21.241  21.151
  150    H    ILE  19           HN       ILE  19  38.513  17.338  27.228
  151    HA   ILE  19           HA       ILE  19  36.766  18.703  29.225
  152    HB   ILE  19           HB       ILE  19  38.556  16.264  29.605
  153   HG12  ILE  19          HG11      ILE  19  36.717  15.743  28.110
  154   HG13  ILE  19          HG12      ILE  19  36.492  14.969  29.671
  155   HG21  ILE  19          HG21      ILE  19  37.357  16.045  31.744
  156   HG22  ILE  19          HG22      ILE  19  38.226  17.594  31.655
  157   HG23  ILE  19          HG23      ILE  19  36.466  17.547  31.403
  158   HD11  ILE  19          HD11      ILE  19  34.397  15.871  28.830
  159   HD12  ILE  19          HD12      ILE  19  34.888  16.713  30.320
  160   HD13  ILE  19          HD13      ILE  19  35.114  17.496  28.738
  161    H    ASP  20           HN       ASP  20  37.559  20.287  30.404
  162    HA   ASP  20           HA       ASP  20  40.267  21.187  30.006
  163    HB2  ASP  20           HB1      ASP  20  38.083  22.042  31.941
  164    HB3  ASP  20           HB2      ASP  20  39.653  22.830  31.859
  165    H    PHE  21           HN       PHE  21  41.815  21.631  31.736
  166    HA   PHE  21           HA       PHE  21  41.657  19.702  33.996
  167    HB2  PHE  21           HB1      PHE  21  43.932  18.948  33.636
  168    HB3  PHE  21           HB2      PHE  21  43.009  18.668  32.168
  169    HD1  PHE  21           HD1      PHE  21  45.700  20.599  33.714
  170    HD2  PHE  21           HD2      PHE  21  43.419  19.979  30.155
  171    HE1  PHE  21           HE1      PHE  21  47.387  21.856  32.416
  172    HE2  PHE  21           HE2      PHE  21  45.106  21.233  28.853
  173    HZ   PHE  21           HZ       PHE  21  47.090  22.173  29.985
  174    H    GLN  22           HN       GLN  22  43.211  20.153  35.718
  175    HA   GLN  22           HA       GLN  22  43.500  23.099  36.003
  176    HB2  GLN  22           HB1      GLN  22  43.555  20.900  38.110
  177    HB3  GLN  22           HB2      GLN  22  43.675  22.623  38.434
  178    HG2  GLN  22           HG1      GLN  22  41.299  21.259  37.149
  179    HG3  GLN  22           HG2      GLN  22  41.433  21.734  38.866
  180   HE21  GLN  22          HE21      GLN  22  39.906  24.305  36.291
  181   HE22  GLN  22          HE22      GLN  22  39.969  22.582  36.113
  182    H    GLU  23           HN       GLU  23  45.372  23.978  37.063
  183    HA   GLU  23           HA       GLU  23  47.808  22.287  36.682
  184    HB2  GLU  23           HB1      GLU  23  47.552  25.276  36.152
  185    HB3  GLU  23           HB2      GLU  23  49.020  24.324  35.990
  186    HG2  GLU  23           HG1      GLU  23  47.918  22.983  34.211
  187    HG3  GLU  23           HG2      GLU  23  46.501  24.022  34.344
  188    H    GLU  24           HN       GLU  24  49.423  22.434  38.179
  189    HA   GLU  24           HA       GLU  24  49.062  24.279  40.461
  190    HB2  GLU  24           HB1      GLU  24  47.719  22.279  41.053
  191    HB3  GLU  24           HB2      GLU  24  49.119  21.250  40.784
  192    HG2  GLU  24           HG1      GLU  24  50.304  22.330  42.627
  193    HG3  GLU  24           HG2      GLU  24  48.953  23.434  42.872
  194    H    ILE  25           HN       ILE  25  50.926  24.946  41.305
  195    HA   ILE  25           HA       ILE  25  53.389  23.441  40.535
  196    HB   ILE  25           HB       ILE  25  53.054  26.392  41.225
  197   HG12  ILE  25          HG11      ILE  25  53.843  25.099  38.606
  198   HG13  ILE  25          HG12      ILE  25  52.219  25.652  38.983
  199   HG21  ILE  25          HG21      ILE  25  55.442  26.572  40.656
  200   HG22  ILE  25          HG22      ILE  25  55.197  25.490  42.046
  201   HG23  ILE  25          HG23      ILE  25  55.527  24.809  40.436
  202   HD11  ILE  25          HD11      ILE  25  53.421  27.301  37.662
  203   HD12  ILE  25          HD12      ILE  25  53.053  27.944  39.281
  204   HD13  ILE  25          HD13      ILE  25  54.698  27.385  38.897
  205    H    GLN  26           HN       GLN  26  54.500  22.465  42.065
  206    HA   GLN  26           HA       GLN  26  53.983  23.290  44.892
  207    HB2  GLN  26           HB1      GLN  26  54.533  20.499  43.804
  208    HB3  GLN  26           HB2      GLN  26  54.390  20.907  45.508
  209    HG2  GLN  26           HG1      GLN  26  52.066  21.606  45.161
  210    HG3  GLN  26           HG2      GLN  26  52.210  21.193  43.429
  211   HE21  GLN  26          HE21      GLN  26  50.580  18.376  45.248
  212   HE22  GLN  26          HE22      GLN  26  50.243  20.063  45.040
  213    H    GLU  27           HN       GLU  27  55.692  23.046  46.396
  214    HA   GLU  27           HA       GLU  27  58.300  23.617  45.145
  215    HB2  GLU  27           HB1      GLU  27  57.348  23.730  48.034
  216    HB3  GLU  27           HB2      GLU  27  58.979  24.135  47.520
  217    HG2  GLU  27           HG1      GLU  27  58.010  25.910  46.043
  218    HG3  GLU  27           HG2      GLU  27  56.428  25.553  46.734
  219    H    ASN  28           HN       ASN  28  60.185  22.495  45.482
  220    HA   ASN  28           HA       ASN  28  59.937  19.891  46.914
  221    HB2  ASN  28           HB1      ASN  28  59.712  19.552  44.448
  222    HB3  ASN  28           HB2      ASN  28  61.297  20.281  44.228
  223   HD21  ASN  28          HD21      ASN  28  61.771  16.646  44.246
  224   HD22  ASN  28          HD22      ASN  28  60.953  17.820  43.271
  225    HA   PRO  29           HA       PRO  29  63.281  22.016  48.901
  226    HB2  PRO  29           HB1      PRO  29  63.215  19.360  50.391
  227    HB3  PRO  29           HB2      PRO  29  63.377  20.994  51.046
  228    HG2  PRO  29           HG1      PRO  29  60.999  19.811  51.192
  229    HG3  PRO  29           HG2      PRO  29  61.076  21.509  50.713
  230    HD2  PRO  29           HD1      PRO  29  60.717  19.040  48.977
  231    HD3  PRO  29           HD2      PRO  29  59.908  20.653  48.850
  232    H    ASP  30           HN       ASP  30  63.210  18.755  47.565
  233    HA   ASP  30           HA       ASP  30  65.997  18.153  47.927
  234    HB2  ASP  30           HB1      ASP  30  63.876  17.024  46.066
  235    HB3  ASP  30           HB2      ASP  30  65.521  16.405  46.120
  236    H    LEU  31           HN       LEU  31  64.210  19.966  45.547
  237    HA   LEU  31           HA       LEU  31  66.475  19.984  43.662
  238    HB2  LEU  31           HB1      LEU  31  63.795  21.416  43.625
  239    HB3  LEU  31           HB2      LEU  31  64.995  21.489  42.331
  240    HG   LEU  31           HG       LEU  31  63.544  18.979  43.244
  241   HD11  LEU  31          HD11      LEU  31  62.371  19.181  41.097
  242   HD12  LEU  31          HD12      LEU  31  62.064  20.583  42.149
  243   HD13  LEU  31          HD13      LEU  31  63.202  20.724  40.788
  244   HD21  LEU  31          HD21      LEU  31  64.576  17.989  41.228
  245   HD22  LEU  31          HD22      LEU  31  65.439  19.515  40.920
  246   HD23  LEU  31          HD23      LEU  31  65.818  18.556  42.370
  247    H    ALA  32           HN       ALA  32  67.739  21.737  43.155
  248    HA   ALA  32           HA       ALA  32  68.332  23.577  45.247
  249    HB1  ALA  32           HB1      ALA  32  69.763  24.698  43.569
  250    HB2  ALA  32           HB2      ALA  32  69.979  22.931  43.545
  251    HB3  ALA  32           HB3      ALA  32  69.006  23.726  42.286
  252    H    GLU  33           HN       GLU  33  67.876  25.706  45.587
  253    HA   GLU  33           HA       GLU  33  65.224  26.462  45.129
  254    HB2  GLU  33           HB1      GLU  33  66.722  27.421  46.884
  255    HB3  GLU  33           HB2      GLU  33  67.585  28.316  45.642
  256    HG2  GLU  33           HG1      GLU  33  65.572  29.583  45.106
  257    HG3  GLU  33           HG2      GLU  33  64.644  28.641  46.271
  258    H    GLY  34           HN       GLY  34  64.142  27.105  43.422
  259    HA2  GLY  34           HA1      GLY  34  63.792  28.775  41.695
  260    HA3  GLY  34           HA2      GLY  34  65.523  28.833  41.419
  261    H    THR  35           HN       THR  35  65.342  25.710  41.745
  262    HA   THR  35           HA       THR  35  65.436  25.160  38.936
  263    HB   THR  35           HB       THR  35  65.180  23.244  41.294
  264    HG1  THR  35           HG1      THR  35  67.092  24.421  41.391
  265   HG21  THR  35          HG21      THR  35  66.060  21.558  39.728
  266   HG22  THR  35          HG22      THR  35  64.502  22.202  39.159
  267   HG23  THR  35          HG23      THR  35  66.019  22.752  38.411
  268    H    VAL  36           HN       VAL  36  63.952  24.600  37.505
  269    HA   VAL  36           HA       VAL  36  61.215  23.991  38.536
  270    HB   VAL  36           HB       VAL  36  62.070  25.128  35.839
  271   HG11  VAL  36          HG11      VAL  36  59.676  25.421  35.426
  272   HG12  VAL  36          HG12      VAL  36  60.114  23.708  35.625
  273   HG13  VAL  36          HG13      VAL  36  59.311  24.582  36.952
  274   HG21  VAL  36          HG21      VAL  36  60.939  27.178  36.641
  275   HG22  VAL  36          HG22      VAL  36  60.620  26.388  38.204
  276   HG23  VAL  36          HG23      VAL  36  62.294  26.732  37.705
  277    H    ARG  37           HN       ARG  37  60.490  22.001  38.286
  278    HA   ARG  37           HA       ARG  37  61.393  20.433  35.931
  279    HB2  ARG  37           HB1      ARG  37  62.833  19.788  37.853
  280    HB3  ARG  37           HB2      ARG  37  61.399  19.373  38.779
  281    HG2  ARG  37           HG1      ARG  37  60.865  17.570  37.259
  282    HG3  ARG  37           HG2      ARG  37  62.199  18.042  36.179
  283    HD2  ARG  37           HD1      ARG  37  62.947  16.217  37.457
  284    HD3  ARG  37           HD2      ARG  37  63.744  17.667  38.109
  285    HE   ARG  37           HE       ARG  37  61.424  17.314  39.605
  286   HH11  ARG  37          HH11      ARG  37  64.362  15.508  38.935
  287   HH12  ARG  37          HH12      ARG  37  64.366  14.697  40.485
  288   HH21  ARG  37          HH21      ARG  37  61.439  16.254  41.613
  289   HH22  ARG  37          HH22      ARG  37  62.712  15.118  42.001
  290    H    VAL  38           HN       VAL  38  59.668  19.789  34.867
  291    HA   VAL  38           HA       VAL  38  57.034  19.883  36.076
  292    HB   VAL  38           HB       VAL  38  57.951  18.811  33.373
  293   HG11  VAL  38          HG11      VAL  38  55.607  19.025  32.707
  294   HG12  VAL  38          HG12      VAL  38  55.820  17.847  34.024
  295   HG13  VAL  38          HG13      VAL  38  55.174  19.469  34.375
  296   HG21  VAL  38          HG21      VAL  38  57.120  20.983  32.530
  297   HG22  VAL  38          HG22      VAL  38  56.741  21.483  34.196
  298   HG23  VAL  38          HG23      VAL  38  58.431  21.211  33.711
  299    H    LYS  39           HN       LYS  39  56.039  18.356  37.181
  300    HA   LYS  39           HA       LYS  39  57.211  15.653  37.265
  301    HB2  LYS  39           HB1      LYS  39  56.563  16.783  39.372
  302    HB3  LYS  39           HB2      LYS  39  54.897  16.878  38.820
  303    HG2  LYS  39           HG1      LYS  39  54.681  14.462  38.869
  304    HG3  LYS  39           HG2      LYS  39  56.398  14.281  39.255
  305    HD2  LYS  39           HD1      LYS  39  56.048  15.512  41.377
  306    HD3  LYS  39           HD2      LYS  39  54.329  15.678  40.992
  307    HE2  LYS  39           HE1      LYS  39  54.084  13.223  40.987
  308    HE3  LYS  39           HE2      LYS  39  55.803  13.041  41.343
  309    HZ1  LYS  39           HZ1      LYS  39  54.471  12.865  43.313
  310    HZ2  LYS  39           HZ2      LYS  39  55.437  14.199  43.413
  311    HZ3  LYS  39           HZ3      LYS  39  53.831  14.367  43.081
  312    H    GLN  40           HN       GLN  40  54.132  17.212  36.388
  313    HA   GLN  40           HA       GLN  40  53.546  14.831  34.708
  314    HB2  GLN  40           HB1      GLN  40  52.272  14.560  36.821
  315    HB3  GLN  40           HB2      GLN  40  51.548  16.145  36.593
  316    HG2  GLN  40           HG1      GLN  40  50.385  15.405  34.618
  317    HG3  GLN  40           HG2      GLN  40  51.225  13.830  34.674
  318   HE21  GLN  40          HE21      GLN  40  47.800  13.469  36.105
  319   HE22  GLN  40          HE22      GLN  40  48.447  14.009  34.591
  320    H    GLU  41           HN       GLU  41  53.276  15.442  32.699
  321    HA   GLU  41           HA       GLU  41  52.780  18.185  31.954
  322    HB2  GLU  41           HB1      GLU  41  54.033  16.686  30.480
  323    HB3  GLU  41           HB2      GLU  41  52.656  15.601  30.348
  324    HG2  GLU  41           HG1      GLU  41  52.825  16.905  28.348
  325    HG3  GLU  41           HG2      GLU  41  51.372  17.387  29.221
  326    H    GLY  42           HN       GLY  42  50.956  19.265  31.772
  327    HA2  GLY  42           HA1      GLY  42  48.389  18.020  32.298
  328    HA3  GLY  42           HA2      GLY  42  48.665  19.695  31.855
  329    H    LYS  43           HN       LYS  43  46.624  17.805  30.894
  330    HA   LYS  43           HA       LYS  43  46.888  18.323  28.046
  331    HB2  LYS  43           HB1      LYS  43  48.272  16.256  28.287
  332    HB3  LYS  43           HB2      LYS  43  46.887  15.424  28.980
  333    HG2  LYS  43           HG1      LYS  43  45.648  15.660  26.889
  334    HG3  LYS  43           HG2      LYS  43  46.975  16.595  26.185
  335    HD2  LYS  43           HD1      LYS  43  48.485  14.652  26.444
  336    HD3  LYS  43           HD2      LYS  43  47.159  13.716  27.150
  337    HE2  LYS  43           HE1      LYS  43  45.870  13.959  25.053
  338    HE3  LYS  43           HE2      LYS  43  47.191  14.894  24.347
  339    HZ1  LYS  43           HZ1      LYS  43  47.277  12.605  23.682
  340    HZ2  LYS  43           HZ2      LYS  43  48.605  12.971  24.589
  341    HZ3  LYS  43           HZ3      LYS  43  47.371  12.097  25.248
  342    H    LEU  44           HN       LEU  44  44.967  18.466  27.069
  343    HA   LEU  44           HA       LEU  44  42.584  18.403  28.662
  344    HB2  LEU  44           HB1      LEU  44  43.005  18.534  25.657
  345    HB3  LEU  44           HB2      LEU  44  41.431  18.708  26.438
  346    HG   LEU  44           HG       LEU  44  43.788  20.553  26.952
  347   HD11  LEU  44          HD11      LEU  44  42.613  22.135  25.488
  348   HD12  LEU  44          HD12      LEU  44  43.100  20.665  24.612
  349   HD13  LEU  44          HD13      LEU  44  41.405  20.885  25.108
  350   HD21  LEU  44          HD21      LEU  44  42.032  21.993  27.926
  351   HD22  LEU  44          HD22      LEU  44  40.813  20.741  27.580
  352   HD23  LEU  44          HD23      LEU  44  42.107  20.422  28.760
  353    H    GLY  45           HN       GLY  45  40.950  16.959  28.846
  354    HA2  GLY  45           HA1      GLY  45  41.416  14.234  27.775
  355    HA3  GLY  45           HA2      GLY  45  40.229  14.688  28.984
  356    H    LYS  46           HN       LYS  46  38.781  13.356  27.638
  357    HA   LYS  46           HA       LYS  46  37.152  15.097  25.994
  358    HB2  LYS  46           HB1      LYS  46  37.257  13.858  23.909
  359    HB3  LYS  46           HB2      LYS  46  38.872  14.412  24.325
  360    HG2  LYS  46           HG1      LYS  46  39.443  12.168  25.159
  361    HG3  LYS  46           HG2      LYS  46  37.812  11.605  24.767
  362    HD2  LYS  46           HD1      LYS  46  38.213  12.205  22.376
  363    HD3  LYS  46           HD2      LYS  46  39.868  12.672  22.796
  364    HE2  LYS  46           HE1      LYS  46  40.344  10.383  23.557
  365    HE3  LYS  46           HE2      LYS  46  38.680   9.903  23.209
  366    HZ1  LYS  46           HZ1      LYS  46  40.163   9.286  21.446
  367    HZ2  LYS  46           HZ2      LYS  46  39.081  10.404  20.897
  368    HZ3  LYS  46           HZ3      LYS  46  40.635  10.850  21.221
  369    H    LYS  47           HN       LYS  47  35.080  14.528  26.102
  370    HA   LYS  47           HA       LYS  47  34.435  11.867  27.245
  371    HB2  LYS  47           HB1      LYS  47  33.388  13.869  28.267
  372    HB3  LYS  47           HB2      LYS  47  32.663  14.287  26.721
  373    HG2  LYS  47           HG1      LYS  47  31.332  12.220  26.765
  374    HG3  LYS  47           HG2      LYS  47  32.079  11.767  28.304
  375    HD2  LYS  47           HD1      LYS  47  31.162  13.802  29.360
  376    HD3  LYS  47           HD2      LYS  47  30.430  14.276  27.820
  377    HE2  LYS  47           HE1      LYS  47  29.078  12.195  27.835
  378    HE3  LYS  47           HE2      LYS  47  29.792  11.749  29.387
  379    HZ1  LYS  47           HZ1      LYS  47  27.666  12.794  29.662
  380    HZ2  LYS  47           HZ2      LYS  47  28.841  13.739  30.331
  381    HZ3  LYS  47           HZ3      LYS  47  28.172  14.155  28.881
  382    H    VAL  48           HN       VAL  48  34.060  10.240  25.945
  383    HA   VAL  48           HA       VAL  48  33.422  10.801  23.115
  384    HB   VAL  48           HB       VAL  48  34.124   8.195  24.535
  385   HG11  VAL  48          HG11      VAL  48  34.447   7.286  22.287
  386   HG12  VAL  48          HG12      VAL  48  32.764   7.795  22.564
  387   HG13  VAL  48          HG13      VAL  48  33.851   8.810  21.586
  388   HG21  VAL  48          HG21      VAL  48  36.310   8.479  23.411
  389   HG22  VAL  48          HG22      VAL  48  35.767  10.040  22.752
  390   HG23  VAL  48          HG23      VAL  48  35.970   9.837  24.509
  391    H    GLU  49           HN       GLU  49  31.453  10.662  22.302
  392    HA   GLU  49           HA       GLU  49  29.575   8.675  23.458
  393    HB2  GLU  49           HB1      GLU  49  29.031  10.860  24.510
  394    HB3  GLU  49           HB2      GLU  49  28.852  11.585  22.919
  395    HG2  GLU  49           HG1      GLU  49  26.958  10.132  22.430
  396    HG3  GLU  49           HG2      GLU  49  27.164   9.305  23.972
  397    H    ILE  50           HN       ILE  50  29.265   7.334  21.828
  398    HA   ILE  50           HA       ILE  50  29.108   8.399  19.072
  399    HB   ILE  50           HB       ILE  50  29.118   5.535  20.118
  400   HG12  ILE  50          HG11      ILE  50  31.291   7.059  18.668
  401   HG13  ILE  50          HG12      ILE  50  31.227   6.862  20.412
  402   HG21  ILE  50          HG21      ILE  50  29.440   4.908  17.759
  403   HG22  ILE  50          HG22      ILE  50  27.886   5.742  17.992
  404   HG23  ILE  50          HG23      ILE  50  29.264   6.612  17.278
  405   HD11  ILE  50          HD11      ILE  50  32.729   5.239  19.402
  406   HD12  ILE  50          HD12      ILE  50  31.338   4.422  20.154
  407   HD13  ILE  50          HD13      ILE  50  31.405   4.620  18.387
  408    H    VAL  51           HN       VAL  51  27.272   8.843  18.097
  409    HA   VAL  51           HA       VAL  51  24.772   7.728  19.303
  410    HB   VAL  51           HB       VAL  51  25.221  10.450  18.006
  411   HG11  VAL  51          HG11      VAL  51  22.913  10.927  18.663
  412   HG12  VAL  51          HG12      VAL  51  23.011   9.584  17.500
  413   HG13  VAL  51          HG13      VAL  51  22.727   9.249  19.225
  414   HG21  VAL  51          HG21      VAL  51  24.756  11.313  20.278
  415   HG22  VAL  51          HG22      VAL  51  24.633   9.644  20.885
  416   HG23  VAL  51          HG23      VAL  51  26.188  10.256  20.271
  417    H    ARG  52           HN       ARG  52  23.438   6.647  18.017
  418    HA   ARG  52           HA       ARG  52  24.095   6.532  15.128
  419    HB2  ARG  52           HB1      ARG  52  23.881   4.408  16.367
  420    HB3  ARG  52           HB2      ARG  52  22.233   4.822  16.813
  421    HG2  ARG  52           HG1      ARG  52  21.571   4.772  14.443
  422    HG3  ARG  52           HG2      ARG  52  23.241   4.343  13.997
  423    HD2  ARG  52           HD1      ARG  52  21.499   2.743  15.856
  424    HD3  ARG  52           HD2      ARG  52  21.701   2.424  14.118
  425    HE   ARG  52           HE       ARG  52  24.226   2.332  14.814
  426   HH11  ARG  52          HH11      ARG  52  21.472   1.125  16.631
  427   HH12  ARG  52          HH12      ARG  52  22.385  -0.148  17.409
  428   HH21  ARG  52          HH21      ARG  52  25.400   0.675  15.831
  429   HH22  ARG  52          HH22      ARG  52  24.608  -0.404  16.957
  430    H    ILE  53           HN       ILE  53  22.949   7.546  13.643
  431    HA   ILE  53           HA       ILE  53  20.379   8.785  14.486
  432    HB   ILE  53           HB       ILE  53  22.203   9.426  12.129
  433   HG12  ILE  53          HG11      ILE  53  21.682  11.037  14.635
  434   HG13  ILE  53          HG12      ILE  53  23.071   9.983  14.420
  435   HG21  ILE  53          HG21      ILE  53  20.750  11.391  11.833
  436   HG22  ILE  53          HG22      ILE  53  19.831   9.881  11.633
  437   HG23  ILE  53          HG23      ILE  53  19.694  10.813  13.143
  438   HD11  ILE  53          HD11      ILE  53  23.644  12.298  13.944
  439   HD12  ILE  53          HD12      ILE  53  23.788  11.303  12.475
  440   HD13  ILE  53          HD13      ILE  53  22.381  12.372  12.693
  441    H    PHE  54           HN       PHE  54  18.585   7.793  13.939
  442    HA   PHE  54           HA       PHE  54  18.622   5.894  11.669
  443    HB2  PHE  54           HB1      PHE  54  17.656   5.170  13.837
  444    HB3  PHE  54           HB2      PHE  54  16.475   6.468  13.751
  445    HD1  PHE  54           HD1      PHE  54  17.680   4.100  11.120
  446    HD2  PHE  54           HD2      PHE  54  14.407   5.483  13.492
  447    HE1  PHE  54           HE1      PHE  54  16.147   2.622   9.864
  448    HE2  PHE  54           HE2      PHE  54  12.871   4.004  12.240
  449    HZ   PHE  54           HZ       PHE  54  13.742   2.575  10.423
  450    H    SER  55           HN       SER  55  17.958   6.430   9.726
  451    HA   SER  55           HA       SER  55  15.855   8.531   9.479
  452    HB2  SER  55           HB1      SER  55  17.969   9.608   8.969
  453    HB3  SER  55           HB2      SER  55  18.425   8.304   7.884
  454    HG   SER  55           HG       SER  55  17.476  10.287   6.997
  455    H    VAL  56           HN       VAL  56  14.353   8.240   7.904
  456    HA   VAL  56           HA       VAL  56  14.651   5.787   6.225
  457    HB   VAL  56           HB       VAL  56  12.136   6.726   7.670
  458   HG11  VAL  56          HG11      VAL  56  11.102   4.698   6.773
  459   HG12  VAL  56          HG12      VAL  56  11.616   5.810   5.482
  460   HG13  VAL  56          HG13      VAL  56  12.580   4.357   5.842
  461   HG21  VAL  56          HG21      VAL  56  12.367   4.594   8.905
  462   HG22  VAL  56          HG22      VAL  56  13.886   4.260   8.039
  463   HG23  VAL  56          HG23      VAL  56  13.784   5.641   9.156
  464    H    ASN  57           HN       ASN  57  14.473   6.176   4.136
  465    HA   ASN  57           HA       ASN  57  13.958   7.214   2.147
  466    HB2  ASN  57           HB1      ASN  57  11.630   6.651   3.065
  467    HB3  ASN  57           HB2      ASN  57  11.519   8.339   3.543
  468   HD21  ASN  57          HD21      ASN  57  10.172   9.086   0.448
  469   HD22  ASN  57          HD22      ASN  57  10.052   9.136   2.175
  470    H    LYS  58           HN       LYS  58  15.798   8.542   3.672
  471    HA   LYS  58           HA       LYS  58  16.886  10.570   3.725
  472    HB2  LYS  58           HB1      LYS  58  14.772  11.590   1.794
  473    HB3  LYS  58           HB2      LYS  58  16.400  12.212   2.026
  474    HG2  LYS  58           HG1      LYS  58  15.700   9.495   0.874
  475    HG3  LYS  58           HG2      LYS  58  16.203  10.921  -0.044
  476    HD2  LYS  58           HD1      LYS  58  18.353  10.927   1.268
  477    HD3  LYS  58           HD2      LYS  58  17.849   9.401   2.009
  478    HE2  LYS  58           HE1      LYS  58  17.637   8.444  -0.328
  479    HE3  LYS  58           HE2      LYS  58  18.375   9.928  -0.936
  480    HZ1  LYS  58           HZ1      LYS  58  19.992   8.204  -0.619
  481    HZ2  LYS  58           HZ2      LYS  58  20.302   9.453   0.413
  482    HZ3  LYS  58           HZ3      LYS  58  19.613   8.066   0.980
  483    H    GLU  59           HN       GLU  59  14.862   9.986   5.662
  484    HA   GLU  59           HA       GLU  59  14.304  12.773   6.507
  485    HB2  GLU  59           HB1      GLU  59  12.228  11.963   5.409
  486    HB3  GLU  59           HB2      GLU  59  12.202  10.569   6.478
  487    HG2  GLU  59           HG1      GLU  59  11.896  12.020   8.415
  488    HG3  GLU  59           HG2      GLU  59  12.009  13.448   7.389
  489    H    GLU  60           HN       GLU  60  15.151  13.052   8.429
  490    HA   GLU  60           HA       GLU  60  16.141  10.920  10.034
  491    HB2  GLU  60           HB1      GLU  60  16.965  13.288  10.096
  492    HB3  GLU  60           HB2      GLU  60  15.473  13.764  10.894
  493    HG2  GLU  60           HG1      GLU  60  16.005  12.364  12.811
  494    HG3  GLU  60           HG2      GLU  60  17.452  11.763  12.005
  495    H    VAL  61           HN       VAL  61  15.288   9.671  11.547
  496    HA   VAL  61           HA       VAL  61  12.427  10.163  12.229
  497    HB   VAL  61           HB       VAL  61  14.071   7.596  12.314
  498   HG11  VAL  61          HG11      VAL  61  11.949   6.477  12.798
  499   HG12  VAL  61          HG12      VAL  61  12.404   7.626  14.078
  500   HG13  VAL  61          HG13      VAL  61  11.140   8.058  12.902
  501   HG21  VAL  61          HG21      VAL  61  12.601   6.914  10.444
  502   HG22  VAL  61          HG22      VAL  61  11.818   8.512  10.478
  503   HG23  VAL  61          HG23      VAL  61  13.535   8.371  10.030
  504    H    SER  62           HN       SER  62  15.411   8.797  13.683
  505    HA   SER  62           HA       SER  62  14.976  10.233  16.169
  506    HB2  SER  62           HB1      SER  62  14.491   8.376  17.602
  507    HB3  SER  62           HB2      SER  62  13.290   8.382  16.319
  508    HG   SER  62           HG       SER  62  15.630   6.822  16.438
  509    H    ARG  63           HN       ARG  63  16.505   9.283  17.925
  510    HA   ARG  63           HA       ARG  63  18.971   8.220  16.637
  511    HB2  ARG  63           HB1      ARG  63  18.880  10.588  18.537
  512    HB3  ARG  63           HB2      ARG  63  20.337   9.830  17.911
  513    HG2  ARG  63           HG1      ARG  63  19.648  10.481  15.611
  514    HG3  ARG  63           HG2      ARG  63  18.254  11.337  16.314
  515    HD2  ARG  63           HD1      ARG  63  19.849  12.659  17.675
  516    HD3  ARG  63           HD2      ARG  63  21.173  11.893  16.767
  517    HE   ARG  63           HE       ARG  63  19.247  13.033  14.990
  518   HH11  ARG  63          HH11      ARG  63  21.866  13.883  17.171
  519   HH12  ARG  63          HH12      ARG  63  22.272  15.352  16.312
  520   HH21  ARG  63          HH21      ARG  63  19.783  14.943  13.884
  521   HH22  ARG  63          HH22      ARG  63  21.094  15.952  14.451
  522    H    GLU  64           HN       GLU  64  20.432   7.166  18.050
  523    HA   GLU  64           HA       GLU  64  19.578   6.821  20.860
  524    HB2  GLU  64           HB1      GLU  64  19.697   4.383  20.756
  525    HB3  GLU  64           HB2      GLU  64  18.478   4.968  19.633
  526    HG2  GLU  64           HG1      GLU  64  20.099   4.714  17.775
  527    HG3  GLU  64           HG2      GLU  64  21.276   4.067  18.916
  528    H    ILE  65           HN       ILE  65  21.209   6.036  22.251
  529    HA   ILE  65           HA       ILE  65  23.870   6.872  21.316
  530    HB   ILE  65           HB       ILE  65  22.847   6.068  24.072
  531   HG12  ILE  65          HG11      ILE  65  23.618   8.794  23.014
  532   HG13  ILE  65          HG12      ILE  65  21.967   8.196  23.074
  533   HG21  ILE  65          HG21      ILE  65  24.992   6.946  24.902
  534   HG22  ILE  65          HG22      ILE  65  25.246   5.557  23.820
  535   HG23  ILE  65          HG23      ILE  65  25.536   7.210  23.228
  536   HD11  ILE  65          HD11      ILE  65  22.452   9.624  24.981
  537   HD12  ILE  65          HD12      ILE  65  22.129   7.956  25.514
  538   HD13  ILE  65          HD13      ILE  65  23.801   8.564  25.454
  539    H    VAL  66           HN       VAL  66  25.378   5.555  20.612
  540    HA   VAL  66           HA       VAL  66  24.974   2.661  20.786
  541    HB   VAL  66           HB       VAL  66  27.201   4.337  19.552
  542   HG11  VAL  66          HG11      VAL  66  27.894   2.279  18.425
  543   HG12  VAL  66          HG12      VAL  66  28.045   2.154  20.194
  544   HG13  VAL  66          HG13      VAL  66  26.687   1.363  19.358
  545   HG21  VAL  66          HG21      VAL  66  26.116   3.690  17.424
  546   HG22  VAL  66          HG22      VAL  66  24.855   2.823  18.333
  547   HG23  VAL  66          HG23      VAL  66  24.995   4.592  18.470
  548    H    SER  67           HN       SER  67  27.469   4.999  21.855
  549    HA   SER  67           HA       SER  67  28.165   3.249  24.106
  550    HB2  SER  67           HB1      SER  67  29.478   2.264  22.282
  551    HB3  SER  67           HB2      SER  67  30.151   3.837  21.886
  552    HG   SER  67           HG       SER  67  30.712   2.115  23.934
  553    H    THR  68           HN       THR  68  29.129   4.309  25.768
  554    HA   THR  68           HA       THR  68  30.049   7.097  25.260
  555    HB   THR  68           HB       THR  68  28.247   6.239  27.566
  556    HG1  THR  68           HG1      THR  68  27.337   8.274  26.052
  557   HG21  THR  68          HG21      THR  68  28.281   8.630  28.160
  558   HG22  THR  68          HG22      THR  68  29.918   7.937  28.220
  559   HG23  THR  68          HG23      THR  68  29.430   8.946  26.840
  560    H    SER  69           HN       SER  69  31.882   7.666  26.233
  561    HA   SER  69           HA       SER  69  32.810   6.327  28.650
  562    HB2  SER  69           HB1      SER  69  33.457   4.658  26.980
  563    HB3  SER  69           HB2      SER  69  34.268   5.889  26.024
  564    HG   SER  69           HG       SER  69  34.930   4.840  28.523
  565    H    THR  70           HN       THR  70  33.785   7.801  29.831
  566    HA   THR  70           HA       THR  70  34.707  10.279  28.493
  567    HB   THR  70           HB       THR  70  34.275   9.658  31.447
  568    HG1  THR  70           HG1      THR  70  32.379  10.767  31.171
  569   HG21  THR  70          HG21      THR  70  34.512  12.091  31.753
  570   HG22  THR  70          HG22      THR  70  36.001  11.387  31.080
  571   HG23  THR  70          HG23      THR  70  34.881  12.277  30.023
  572    H    THR  71           HN       THR  71  36.752  10.670  28.091
  573    HA   THR  71           HA       THR  71  38.829   9.065  29.455
  574    HB   THR  71           HB       THR  71  39.027  11.068  27.166
  575    HG1  THR  71           HG1      THR  71  38.571   8.339  27.352
  576   HG21  THR  71          HG21      THR  71  41.325  10.219  26.914
  577   HG22  THR  71          HG22      THR  71  41.100  10.980  28.507
  578   HG23  THR  71          HG23      THR  71  41.115   9.207  28.361
  579    H    ALA  72           HN       ALA  72  39.756   9.735  31.238
  580    HA   ALA  72           HA       ALA  72  39.157  12.306  32.346
  581    HB1  ALA  72           HB1      ALA  72  40.728  11.651  34.141
  582    HB2  ALA  72           HB2      ALA  72  39.591  10.339  33.749
  583    HB3  ALA  72           HB3      ALA  72  41.267  10.272  33.156
  584    HA   PRO  73           HA       PRO  73  42.371  14.661  30.541
  585    HB2  PRO  73           HB1      PRO  73  42.164  16.927  32.047
  586    HB3  PRO  73           HB2      PRO  73  40.913  16.475  30.882
  587    HG2  PRO  73           HG1      PRO  73  40.977  16.006  33.894
  588    HG3  PRO  73           HG2      PRO  73  39.663  16.673  32.920
  589    HD2  PRO  73           HD1      PRO  73  39.727  14.034  33.641
  590    HD3  PRO  73           HD2      PRO  73  39.029  14.578  32.063
  591    H    SER  74           HN       SER  74  44.434  15.713  31.177
  592    HA   SER  74           HA       SER  74  45.527  14.521  33.688
  593    HB2  SER  74           HB1      SER  74  46.639  13.710  31.685
  594    HB3  SER  74           HB2      SER  74  46.893  15.350  31.108
  595    HG   SER  74           HG       SER  74  48.605  15.373  32.208
  596    HA   PRO  75           HA       PRO  75  45.805  18.772  34.977
  597    HB2  PRO  75           HB1      PRO  75  46.504  18.256  37.570
  598    HB3  PRO  75           HB2      PRO  75  44.844  18.055  36.996
  599    HG2  PRO  75           HG1      PRO  75  47.019  15.945  37.328
  600    HG3  PRO  75           HG2      PRO  75  45.342  15.882  37.879
  601    HD2  PRO  75           HD1      PRO  75  46.125  14.704  35.542
  602    HD3  PRO  75           HD2      PRO  75  44.489  15.455  35.727
  603    H    ARG  76           HN       ARG  76  47.574  20.147  35.487
  604    HA   ARG  76           HA       ARG  76  50.195  18.958  34.789
  605    HB2  ARG  76           HB1      ARG  76  49.405  20.952  33.549
  606    HB3  ARG  76           HB2      ARG  76  49.345  21.864  35.050
  607    HG2  ARG  76           HG1      ARG  76  51.762  21.678  35.304
  608    HG3  ARG  76           HG2      ARG  76  51.852  20.675  33.835
  609    HD2  ARG  76           HD1      ARG  76  50.815  23.497  33.953
  610    HD3  ARG  76           HD2      ARG  76  52.450  23.015  33.446
  611    HE   ARG  76           HE       ARG  76  50.007  22.838  31.915
  612   HH11  ARG  76          HH11      ARG  76  53.212  21.470  32.361
  613   HH12  ARG  76          HH12      ARG  76  53.323  20.874  30.721
  614   HH21  ARG  76          HH21      ARG  76  50.162  22.059  29.788
  615   HH22  ARG  76          HH22      ARG  76  51.597  21.207  29.263
  616    H    ILE  77           HN       ILE  77  51.688  18.525  36.247
  617    HA   ILE  77           HA       ILE  77  51.642  20.083  38.797
  618    HB   ILE  77           HB       ILE  77  52.467  17.174  38.404
  619   HG12  ILE  77          HG11      ILE  77  50.136  18.328  39.952
  620   HG13  ILE  77          HG12      ILE  77  50.014  17.618  38.350
  621   HG21  ILE  77          HG21      ILE  77  52.763  17.169  40.848
  622   HG22  ILE  77          HG22      ILE  77  53.860  18.336  40.074
  623   HG23  ILE  77          HG23      ILE  77  52.392  18.909  40.900
  624   HD11  ILE  77          HD11      ILE  77  49.364  16.025  40.067
  625   HD12  ILE  77          HD12      ILE  77  50.831  15.472  39.224
  626   HD13  ILE  77          HD13      ILE  77  50.954  16.190  40.847
  627    H    VAL  78           HN       VAL  78  53.301  21.389  38.993
  628    HA   VAL  78           HA       VAL  78  55.873  20.584  37.697
  629    HB   VAL  78           HB       VAL  78  54.754  23.392  38.098
  630   HG11  VAL  78          HG11      VAL  78  56.701  24.131  36.813
  631   HG12  VAL  78          HG12      VAL  78  57.169  23.344  38.339
  632   HG13  VAL  78          HG13      VAL  78  57.324  22.465  36.799
  633   HG21  VAL  78          HG21      VAL  78  54.641  23.420  35.626
  634   HG22  VAL  78          HG22      VAL  78  55.197  21.730  35.583
  635   HG23  VAL  78          HG23      VAL  78  53.619  22.130  36.302
  636    H    GLU  79           HN       GLU  79  57.643  20.522  38.924
  637    HA   GLU  79           HA       GLU  79  57.350  21.233  41.781
  638    HB2  GLU  79           HB1      GLU  79  59.560  19.756  40.293
  639    HB3  GLU  79           HB2      GLU  79  59.524  20.027  42.030
  640    HG2  GLU  79           HG1      GLU  79  57.464  18.704  42.207
  641    HG3  GLU  79           HG2      GLU  79  57.472  18.448  40.463
  642    H    LYS  80           HN       LYS  80  58.566  22.707  42.860
  643    HA   LYS  80           HA       LYS  80  60.510  24.288  41.238
  644    HB2  LYS  80           HB1      LYS  80  58.380  25.547  41.429
  645    HB3  LYS  80           HB2      LYS  80  58.452  25.413  43.181
  646    HG2  LYS  80           HG1      LYS  80  60.511  26.751  43.221
  647    HG3  LYS  80           HG2      LYS  80  60.485  26.857  41.455
  648    HD2  LYS  80           HD1      LYS  80  58.310  28.021  41.547
  649    HD3  LYS  80           HD2      LYS  80  58.313  27.897  43.312
  650    HE2  LYS  80           HE1      LYS  80  60.390  29.242  43.401
  651    HE3  LYS  80           HE2      LYS  80  60.381  29.372  41.640
  652    HZ1  LYS  80           HZ1      LYS  80  59.434  31.303  42.672
  653    HZ2  LYS  80           HZ2      LYS  80  58.278  30.519  41.794
  654    HZ3  LYS  80           HZ3      LYS  80  58.288  30.398  43.439
  655    H    GLY  81           HN       GLY  81  62.448  24.324  42.086
  656    HA2  GLY  81           HA1      GLY  81  63.120  23.068  44.537
  657    HA3  GLY  81           HA2      GLY  81  64.170  24.138  43.626
  658    H    THR  82           HN       THR  82  63.525  23.802  46.583
  659    HA   THR  82           HA       THR  82  63.070  26.671  47.170
  660    HB   THR  82           HB       THR  82  60.827  25.547  47.300
  661    HG1  THR  82           HG1      THR  82  60.354  26.551  49.216
  662   HG21  THR  82          HG21      THR  82  60.418  23.976  49.153
  663   HG22  THR  82          HG22      THR  82  61.609  23.314  48.009
  664   HG23  THR  82          HG23      THR  82  62.149  23.998  49.559
  665    H    LYS  83           HN       LYS  83  62.762  26.276  49.976
  666    HA   LYS  83           HA       LYS  83  65.602  26.003  50.606
  667    HB2  LYS  83           HB1      LYS  83  63.233  26.555  52.438
  668    HB3  LYS  83           HB2      LYS  83  64.930  26.725  52.867
  669    HG2  LYS  83           HG1      LYS  83  63.523  28.331  50.712
  670    HG3  LYS  83           HG2      LYS  83  63.829  28.880  52.366
  671    HD2  LYS  83           HD1      LYS  83  66.294  28.491  51.952
  672    HD3  LYS  83           HD2      LYS  83  65.898  28.173  50.256
  673    HE2  LYS  83           HE1      LYS  83  64.850  30.438  50.116
  674    HE3  LYS  83           HE2      LYS  83  65.358  30.750  51.777
  675    HZ1  LYS  83           HZ1      LYS  83  66.901  31.654  50.199
  676    HZ2  LYS  83           HZ2      LYS  83  67.634  30.463  51.074
  677    HZ3  LYS  83           HZ3      LYS  83  67.159  30.173  49.521
  678    H    LYS  84           HN       LYS  84  66.497  24.660  52.220
  679    HA   LYS  84           HA       LYS  84  64.901  22.458  53.291
  680    HB2  LYS  84           HB1      LYS  84  65.437  21.651  50.991
  681    HB3  LYS  84           HB2      LYS  84  67.150  21.854  51.329
  682    HG2  LYS  84           HG1      LYS  84  67.051  20.148  53.072
  683    HG3  LYS  84           HG2      LYS  84  65.303  19.987  52.844
  684    HD2  LYS  84           HD1      LYS  84  65.656  19.233  50.528
  685    HD3  LYS  84           HD2      LYS  84  67.403  19.442  50.713
  686    HE2  LYS  84           HE1      LYS  84  67.414  17.746  52.515
  687    HE3  LYS  84           HE2      LYS  84  65.671  17.534  52.328
  688    HZ1  LYS  84           HZ1      LYS  84  66.894  15.861  51.147
  689    HZ2  LYS  84           HZ2      LYS  84  66.060  16.799  50.077
  690    HZ3  LYS  84           HZ3      LYS  84  67.689  16.996  50.252
  Start of MODEL    6
    1    H1   GLY   1          1HN       GLY   1  -0.334  -0.943  -0.000
    2    H2   GLY   1          2HN       GLY   1  -0.334   0.471   0.816
    3    H3   GLY   1          3HN       GLY   1  -0.334   0.471  -0.816
    4    HA2  GLY   1           HA1      GLY   1   1.822  -0.535   0.877
    5    HA3  GLY   1           HA2      GLY   1   1.822  -0.535  -0.876
    6    H    SER   2           HN       SER   2   3.285   0.938   1.494
    7    HA   SER   2           HA       SER   2   2.839   3.747   0.748
    8    HB2  SER   2           HB1      SER   2   4.446   4.255   2.478
    9    HB3  SER   2           HB2      SER   2   3.306   3.069   3.095
   10    HG   SER   2           HG       SER   2   5.859   2.548   2.028
   11    H    HIS   3           HN       HIS   3   4.772   1.134  -0.300
   12    HA   HIS   3           HA       HIS   3   7.050   2.809  -1.144
   13    HB2  HIS   3           HB1      HIS   3   6.468  -0.147  -1.556
   14    HB3  HIS   3           HB2      HIS   3   7.951   0.667  -2.032
   15    HD2  HIS   3           HD2      HIS   3   6.576  -1.205   0.952
   16    HE1  HIS   3           HE1      HIS   3   9.844   1.107   2.414
   17    HE2  HIS   3           HE2      HIS   3   8.214  -0.785   2.931
   18    H    ASN   4           HN       ASN   4   5.449   4.143  -2.436
   19    HA   ASN   4           HA       ASN   4   5.736   3.276  -5.227
   20    HB2  ASN   4           HB1      ASN   4   3.377   3.644  -5.791
   21    HB3  ASN   4           HB2      ASN   4   3.563   2.314  -4.656
   22   HD21  ASN   4          HD21      ASN   4   0.987   3.749  -2.820
   23   HD22  ASN   4          HD22      ASN   4   1.544   2.422  -3.784
   24    H    LYS   5           HN       LYS   5   4.598   5.068  -6.666
   25    HA   LYS   5           HA       LYS   5   6.049   7.486  -6.090
   26    HB2  LYS   5           HB1      LYS   5   5.566   6.687  -8.396
   27    HB3  LYS   5           HB2      LYS   5   3.852   6.980  -8.136
   28    HG2  LYS   5           HG1      LYS   5   4.268   9.381  -7.888
   29    HG3  LYS   5           HG2      LYS   5   6.007   9.112  -8.070
   30    HD2  LYS   5           HD1      LYS   5   5.634   8.201 -10.339
   31    HD3  LYS   5           HD2      LYS   5   3.893   8.461 -10.157
   32    HE2  LYS   5           HE1      LYS   5   4.280  10.889  -9.898
   33    HE3  LYS   5           HE2      LYS   5   6.019  10.635 -10.068
   34    HZ1  LYS   5           HZ1      LYS   5   5.021  11.316 -12.125
   35    HZ2  LYS   5           HZ2      LYS   5   5.620   9.786 -12.277
   36    HZ3  LYS   5           HZ3      LYS   5   3.995  10.025 -12.118
   37    HA   PRO   6           HA       PRO   6   3.200   9.381  -3.327
   38    HB2  PRO   6           HB1      PRO   6   4.717  11.821  -4.321
   39    HB3  PRO   6           HB2      PRO   6   4.320  11.359  -2.661
   40    HG2  PRO   6           HG1      PRO   6   6.802  10.941  -3.523
   41    HG3  PRO   6           HG2      PRO   6   6.008   9.682  -2.572
   42    HD2  PRO   6           HD1      PRO   6   6.377   9.862  -5.590
   43    HD3  PRO   6           HD2      PRO   6   6.578   8.431  -4.501
   44    H    GLU   7           HN       GLU   7   1.254  10.414  -3.595
   45    HA   GLU   7           HA       GLU   7   0.340  10.917  -6.305
   46    HB2  GLU   7           HB1      GLU   7  -1.138   9.963  -4.551
   47    HB3  GLU   7           HB2      GLU   7  -1.014  11.455  -3.630
   48    HG2  GLU   7           HG1      GLU   7  -2.082  12.679  -5.497
   49    HG3  GLU   7           HG2      GLU   7  -2.240  11.163  -6.380
   50    H    LEU   8           HN       LEU   8   0.707  12.679  -7.425
   51    HA   LEU   8           HA       LEU   8   1.288  15.196  -5.946
   52    HB2  LEU   8           HB1      LEU   8   1.814  14.475  -8.851
   53    HB3  LEU   8           HB2      LEU   8   2.319  15.961  -8.040
   54    HG   LEU   8           HG       LEU   8   3.320  13.158  -7.425
   55   HD11  LEU   8          HD11      LEU   8   5.430  14.006  -8.349
   56   HD12  LEU   8          HD12      LEU   8   4.121  14.046  -9.554
   57   HD13  LEU   8          HD13      LEU   8   4.636  15.547  -8.748
   58   HD21  LEU   8          HD21      LEU   8   4.893  14.327  -5.919
   59   HD22  LEU   8          HD22      LEU   8   4.091  15.875  -6.282
   60   HD23  LEU   8          HD23      LEU   8   3.206  14.596  -5.417
   61    H    LEU   9           HN       LEU   9   0.023  16.930  -6.064
   62    HA   LEU   9           HA       LEU   9  -2.081  16.971  -8.183
   63    HB2  LEU   9           HB1      LEU   9  -3.171  16.366  -6.107
   64    HB3  LEU   9           HB2      LEU   9  -2.358  17.673  -5.241
   65    HG   LEU   9           HG       LEU   9  -3.633  19.314  -6.667
   66   HD11  LEU   9          HD11      LEU   9  -5.587  18.474  -7.892
   67   HD12  LEU   9          HD12      LEU   9  -4.067  17.836  -8.561
   68   HD13  LEU   9          HD13      LEU   9  -5.091  16.803  -7.537
   69   HD21  LEU   9          HD21      LEU   9  -5.751  18.976  -5.438
   70   HD22  LEU   9          HD22      LEU   9  -5.258  17.310  -5.047
   71   HD23  LEU   9          HD23      LEU   9  -4.346  18.687  -4.384
   72    H    TYR  10           HN       TYR  10  -2.133  18.747  -9.369
   73    HA   TYR  10           HA       TYR  10  -0.878  21.213  -8.235
   74    HB2  TYR  10           HB1      TYR  10  -0.905  20.316 -11.147
   75    HB3  TYR  10           HB2      TYR  10  -0.222  21.819 -10.542
   76    HD1  TYR  10           HD1      TYR  10   0.255  18.233 -10.937
   77    HD2  TYR  10           HD2      TYR  10   1.811  21.801  -9.132
   78    HE1  TYR  10           HE1      TYR  10   2.420  17.101 -10.564
   79    HE2  TYR  10           HE2      TYR  10   3.976  20.669  -8.760
   80    HH   TYR  10           HH       TYR  10   5.136  18.796  -8.990
   81    H    ARG  11           HN       ARG  11  -2.985  21.738  -7.400
   82    HA   ARG  11           HA       ARG  11  -5.191  21.925  -9.332
   83    HB2  ARG  11           HB1      ARG  11  -5.571  21.035  -7.052
   84    HB3  ARG  11           HB2      ARG  11  -5.091  22.580  -6.366
   85    HG2  ARG  11           HG1      ARG  11  -7.009  23.672  -7.426
   86    HG3  ARG  11           HG2      ARG  11  -7.487  22.124  -8.163
   87    HD2  ARG  11           HD1      ARG  11  -7.841  21.156  -6.005
   88    HD3  ARG  11           HD2      ARG  11  -7.227  22.623  -5.208
   89    HE   ARG  11           HE       ARG  11  -9.219  23.718  -5.674
   90   HH11  ARG  11          HH11      ARG  11  -9.158  20.559  -7.209
   91   HH12  ARG  11          HH12      ARG  11 -10.869  20.565  -7.575
   92   HH21  ARG  11          HH21      ARG  11 -11.438  23.714  -6.155
   93   HH22  ARG  11          HH22      ARG  11 -12.160  22.350  -6.979
   94    H    GLU  12           HN       GLU  12  -5.144  23.621 -10.657
   95    HA   GLU  12           HA       GLU  12  -4.281  26.256  -9.637
   96    HB2  GLU  12           HB1      GLU  12  -5.124  25.318 -12.408
   97    HB3  GLU  12           HB2      GLU  12  -4.635  26.963 -12.029
   98    HG2  GLU  12           HG1      GLU  12  -2.412  26.170 -11.371
   99    HG3  GLU  12           HG2      GLU  12  -2.897  24.508 -11.700
  100    H    GLU  13           HN       GLU  13  -5.610  27.712  -8.855
  101    HA   GLU  13           HA       GLU  13  -8.491  27.538  -9.638
  102    HB2  GLU  13           HB1      GLU  13  -7.283  28.348  -6.963
  103    HB3  GLU  13           HB2      GLU  13  -8.984  28.516  -7.375
  104    HG2  GLU  13           HG1      GLU  13  -9.126  26.063  -7.697
  105    HG3  GLU  13           HG2      GLU  13  -7.437  25.921  -7.215
  106    H    THR  14           HN       THR  14  -9.545  29.363 -10.208
  107    HA   THR  14           HA       THR  14  -7.828  31.745 -10.638
  108    HB   THR  14           HB       THR  14 -10.591  31.067 -11.737
  109    HG1  THR  14           HG1      THR  14  -9.154  31.019 -13.715
  110   HG21  THR  14          HG21      THR  14 -10.207  32.984 -13.236
  111   HG22  THR  14          HG22      THR  14 -10.216  33.501 -11.533
  112   HG23  THR  14          HG23      THR  14  -8.674  33.334 -12.404
  113    H    ILE  15           HN       ILE  15  -7.848  33.328  -9.234
  114    HA   ILE  15           HA       ILE  15 -10.260  33.682  -7.526
  115    HB   ILE  15           HB       ILE  15  -7.424  34.751  -7.196
  116   HG12  ILE  15          HG11      ILE  15  -8.880  32.670  -5.556
  117   HG13  ILE  15          HG12      ILE  15  -7.778  32.279  -6.867
  118   HG21  ILE  15          HG21      ILE  15  -8.199  35.496  -4.982
  119   HG22  ILE  15          HG22      ILE  15  -9.113  36.296  -6.281
  120   HG23  ILE  15          HG23      ILE  15  -9.849  34.955  -5.373
  121   HD11  ILE  15          HD11      ILE  15  -6.662  32.137  -4.712
  122   HD12  ILE  15          HD12      ILE  15  -5.955  33.440  -5.698
  123   HD13  ILE  15          HD13      ILE  15  -7.071  33.834  -4.369
  124    H    GLU  16           HN       GLU  16 -11.651  35.212  -7.999
  125    HA   GLU  16           HA       GLU  16 -10.632  37.650  -9.394
  126    HB2  GLU  16           HB1      GLU  16 -13.281  36.217  -9.850
  127    HB3  GLU  16           HB2      GLU  16 -12.837  37.762 -10.563
  128    HG2  GLU  16           HG1      GLU  16 -10.900  36.626 -11.671
  129    HG3  GLU  16           HG2      GLU  16 -11.507  35.091 -11.053
  130    H    THR  17           HN       THR  17 -11.275  39.587  -8.649
  131    HA   THR  17           HA       THR  17 -13.649  39.745  -6.908
  132    HB   THR  17           HB       THR  17 -11.794  39.351  -5.305
  133    HG1  THR  17           HG1      THR  17 -12.718  42.056  -5.293
  134   HG21  THR  17          HG21      THR  17 -10.025  41.048  -5.062
  135   HG22  THR  17          HG22      THR  17  -9.956  40.284  -6.667
  136   HG23  THR  17          HG23      THR  17 -10.651  41.911  -6.486
  137    H    LYS  18           HN       LYS  18 -14.628  41.739  -6.861
  138    HA   LYS  18           HA       LYS  18 -14.028  43.324  -9.237
  139    HB2  LYS  18           HB1      LYS  18 -16.185  43.573  -7.104
  140    HB3  LYS  18           HB2      LYS  18 -16.076  44.615  -8.516
  141    HG2  LYS  18           HG1      LYS  18 -16.354  42.650  -9.989
  142    HG3  LYS  18           HG2      LYS  18 -16.483  41.611  -8.563
  143    HD2  LYS  18           HD1      LYS  18 -18.466  42.898  -7.812
  144    HD3  LYS  18           HD2      LYS  18 -18.344  43.914  -9.256
  145    HE2  LYS  18           HE1      LYS  18 -18.681  41.938 -10.690
  146    HE3  LYS  18           HE2      LYS  18 -18.769  40.903  -9.263
  147    HZ1  LYS  18           HZ1      LYS  18 -20.938  41.477 -10.071
  148    HZ2  LYS  18           HZ2      LYS  18 -20.715  42.124  -8.569
  149    HZ3  LYS  18           HZ3      LYS  18 -20.633  43.089  -9.904
  150    H    ILE  19           HN       ILE  19 -13.612  45.536  -9.341
  151    HA   ILE  19           HA       ILE  19 -12.245  46.567  -6.894
  152    HB   ILE  19           HB       ILE  19 -11.693  47.262  -9.810
  153   HG12  ILE  19          HG11      ILE  19 -11.054  44.966  -9.334
  154   HG13  ILE  19          HG12      ILE  19  -9.638  45.982  -9.554
  155   HG21  ILE  19          HG21      ILE  19  -9.704  48.388  -8.895
  156   HG22  ILE  19          HG22      ILE  19 -11.198  49.096  -8.239
  157   HG23  ILE  19          HG23      ILE  19 -10.229  47.983  -7.244
  158   HD11  ILE  19          HD11      ILE  19  -9.325  44.427  -7.711
  159   HD12  ILE  19          HD12      ILE  19  -9.333  46.106  -7.119
  160   HD13  ILE  19          HD13      ILE  19 -10.767  45.075  -6.896
  161    H    ASP  20           HN       ASP  20 -13.088  48.256  -5.921
  162    HA   ASP  20           HA       ASP  20 -15.418  49.581  -6.974
  163    HB2  ASP  20           HB1      ASP  20 -13.611  50.176  -4.602
  164    HB3  ASP  20           HB2      ASP  20 -15.038  51.132  -4.980
  165    H    PHE  21           HN       PHE  21 -15.686  51.823  -7.431
  166    HA   PHE  21           HA       PHE  21 -13.191  53.107  -8.463
  167    HB2  PHE  21           HB1      PHE  21 -14.489  54.034 -10.310
  168    HB3  PHE  21           HB2      PHE  21 -14.626  52.283 -10.310
  169    HD1  PHE  21           HD1      PHE  21 -16.386  55.442  -9.641
  170    HD2  PHE  21           HD2      PHE  21 -16.722  51.189  -9.875
  171    HE1  PHE  21           HE1      PHE  21 -18.850  55.638  -9.634
  172    HE2  PHE  21           HE2      PHE  21 -19.187  51.381  -9.871
  173    HZ   PHE  21           HZ       PHE  21 -20.251  53.607  -9.749
  174    H    GLN  22           HN       GLN  22 -13.308  55.466  -8.658
  175    HA   GLN  22           HA       GLN  22 -14.680  56.547  -6.256
  176    HB2  GLN  22           HB1      GLN  22 -12.431  57.717  -7.944
  177    HB3  GLN  22           HB2      GLN  22 -13.095  58.446  -6.489
  178    HG2  GLN  22           HG1      GLN  22 -11.720  55.754  -6.608
  179    HG3  GLN  22           HG2      GLN  22 -10.973  57.289  -6.085
  180   HE21  GLN  22          HE21      GLN  22 -12.733  55.003  -3.389
  181   HE22  GLN  22          HE22      GLN  22 -12.106  54.491  -4.921
  182    H    GLU  23           HN       GLU  23 -15.540  58.748  -6.344
  183    HA   GLU  23           HA       GLU  23 -16.689  59.370  -9.032
  184    HB2  GLU  23           HB1      GLU  23 -18.398  58.338  -7.554
  185    HB3  GLU  23           HB2      GLU  23 -18.095  59.571  -6.338
  186    HG2  GLU  23           HG1      GLU  23 -18.893  61.308  -7.856
  187    HG3  GLU  23           HG2      GLU  23 -19.128  60.113  -9.130
  188    H    GLU  24           HN       GLU  24 -16.688  61.442  -9.677
  189    HA   GLU  24           HA       GLU  24 -16.059  63.555  -7.700
  190    HB2  GLU  24           HB1      GLU  24 -13.862  62.800  -8.572
  191    HB3  GLU  24           HB2      GLU  24 -14.412  63.079 -10.218
  192    HG2  GLU  24           HG1      GLU  24 -14.615  65.468  -9.784
  193    HG3  GLU  24           HG2      GLU  24 -14.170  65.223  -8.097
  194    H    ILE  25           HN       ILE  25 -17.097  65.400  -8.068
  195    HA   ILE  25           HA       ILE  25 -18.461  65.684 -10.711
  196    HB   ILE  25           HB       ILE  25 -19.298  66.744  -7.978
  197   HG12  ILE  25          HG11      ILE  25 -20.637  64.687  -9.746
  198   HG13  ILE  25          HG12      ILE  25 -19.608  64.294  -8.378
  199   HG21  ILE  25          HG21      ILE  25 -21.315  67.539  -9.145
  200   HG22  ILE  25          HG22      ILE  25 -19.853  68.321  -9.789
  201   HG23  ILE  25          HG23      ILE  25 -20.631  67.005 -10.699
  202   HD11  ILE  25          HD11      ILE  25 -21.959  64.186  -7.767
  203   HD12  ILE  25          HD12      ILE  25 -21.138  65.485  -6.869
  204   HD13  ILE  25          HD13      ILE  25 -22.182  65.882  -8.255
  205    H    GLN  26           HN       GLN  26 -17.840  67.274 -11.975
  206    HA   GLN  26           HA       GLN  26 -16.467  69.608 -10.708
  207    HB2  GLN  26           HB1      GLN  26 -15.863  68.305 -13.394
  208    HB3  GLN  26           HB2      GLN  26 -15.119  69.783 -12.801
  209    HG2  GLN  26           HG1      GLN  26 -14.147  68.547 -10.914
  210    HG3  GLN  26           HG2      GLN  26 -14.892  67.046 -11.532
  211   HE21  GLN  26          HE21      GLN  26 -11.375  67.090 -12.658
  212   HE22  GLN  26          HE22      GLN  26 -12.215  67.045 -11.144
  213    H    GLU  27           HN       GLU  27 -16.776  71.645 -11.625
  214    HA   GLU  27           HA       GLU  27 -19.436  71.893 -12.874
  215    HB2  GLU  27           HB1      GLU  27 -17.515  73.941 -11.702
  216    HB3  GLU  27           HB2      GLU  27 -19.056  74.359 -12.436
  217    HG2  GLU  27           HG1      GLU  27 -20.243  73.039 -10.753
  218    HG3  GLU  27           HG2      GLU  27 -18.710  72.552 -10.035
  219    H    ASN  28           HN       ASN  28 -19.879  72.986 -14.774
  220    HA   ASN  28           HA       ASN  28 -17.524  73.403 -16.559
  221    HB2  ASN  28           HB1      ASN  28 -18.567  71.152 -16.932
  222    HB3  ASN  28           HB2      ASN  28 -20.075  71.957 -17.343
  223   HD21  ASN  28          HD21      ASN  28 -18.403  71.238 -20.509
  224   HD22  ASN  28          HD22      ASN  28 -19.122  70.360 -19.200
  225    HA   PRO  29           HA       PRO  29 -19.729  77.249 -16.749
  226    HB2  PRO  29           HB1      PRO  29 -17.395  77.750 -18.633
  227    HB3  PRO  29           HB2      PRO  29 -18.041  78.796 -17.362
  228    HG2  PRO  29           HG1      PRO  29 -15.808  77.436 -16.863
  229    HG3  PRO  29           HG2      PRO  29 -17.053  77.518 -15.612
  230    HD2  PRO  29           HD1      PRO  29 -16.438  75.263 -17.563
  231    HD3  PRO  29           HD2      PRO  29 -16.839  75.169 -15.801
  232    H    ASP  30           HN       ASP  30 -18.636  75.133 -19.326
  233    HA   ASP  30           HA       ASP  30 -19.765  76.632 -21.518
  234    HB2  ASP  30           HB1      ASP  30 -18.860  73.740 -21.259
  235    HB3  ASP  30           HB2      ASP  30 -19.450  74.430 -22.765
  236    H    LEU  31           HN       LEU  31 -21.081  74.507 -19.152
  237    HA   LEU  31           HA       LEU  31 -23.501  74.029 -20.811
  238    HB2  LEU  31           HB1      LEU  31 -22.680  72.889 -18.116
  239    HB3  LEU  31           HB2      LEU  31 -24.147  72.461 -19.002
  240    HG   LEU  31           HG       LEU  31 -21.307  71.939 -19.952
  241   HD11  LEU  31          HD11      LEU  31 -21.841  69.593 -19.466
  242   HD12  LEU  31          HD12      LEU  31 -21.907  70.600 -18.000
  243   HD13  LEU  31          HD13      LEU  31 -23.414  70.089 -18.799
  244   HD21  LEU  31          HD21      LEU  31 -22.439  70.593 -21.689
  245   HD22  LEU  31          HD22      LEU  31 -24.022  71.103 -21.054
  246   HD23  LEU  31          HD23      LEU  31 -22.928  72.302 -21.784
  247    H    ALA  32           HN       ALA  32 -25.588  74.501 -20.040
  248    HA   ALA  32           HA       ALA  32 -25.792  77.028 -18.699
  249    HB1  ALA  32           HB1      ALA  32 -28.232  76.630 -18.802
  250    HB2  ALA  32           HB2      ALA  32 -27.442  76.290 -20.360
  251    HB3  ALA  32           HB3      ALA  32 -27.928  74.949 -19.298
  252    H    GLU  33           HN       GLU  33 -26.656  77.578 -16.699
  253    HA   GLU  33           HA       GLU  33 -25.567  76.145 -14.552
  254    HB2  GLU  33           HB1      GLU  33 -26.289  78.545 -14.500
  255    HB3  GLU  33           HB2      GLU  33 -27.966  78.019 -14.455
  256    HG2  GLU  33           HG1      GLU  33 -27.569  76.892 -12.311
  257    HG3  GLU  33           HG2      GLU  33 -25.878  77.385 -12.358
  258    H    GLY  34           HN       GLY  34 -26.041  74.279 -13.660
  259    HA2  GLY  34           HA1      GLY  34 -27.558  72.972 -12.314
  260    HA3  GLY  34           HA2      GLY  34 -28.909  73.598 -13.239
  261    H    THR  35           HN       THR  35 -26.816  73.079 -15.618
  262    HA   THR  35           HA       THR  35 -28.117  70.708 -16.554
  263    HB   THR  35           HB       THR  35 -25.538  72.024 -17.511
  264    HG1  THR  35           HG1      THR  35 -27.401  73.357 -17.661
  265   HG21  THR  35          HG21      THR  35 -25.966  70.810 -19.612
  266   HG22  THR  35          HG22      THR  35 -25.732  69.677 -18.259
  267   HG23  THR  35          HG23      THR  35 -27.370  70.010 -18.868
  268    H    VAL  36           HN       VAL  36 -27.731  68.631 -16.273
  269    HA   VAL  36           HA       VAL  36 -25.153  67.869 -14.970
  270    HB   VAL  36           HB       VAL  36 -27.828  66.406 -14.990
  271   HG11  VAL  36          HG11      VAL  36 -26.783  64.891 -13.377
  272   HG12  VAL  36          HG12      VAL  36 -25.960  64.856 -14.955
  273   HG13  VAL  36          HG13      VAL  36 -25.232  65.737 -13.589
  274   HG21  VAL  36          HG21      VAL  36 -27.864  66.979 -12.583
  275   HG22  VAL  36          HG22      VAL  36 -26.348  67.891 -12.779
  276   HG23  VAL  36          HG23      VAL  36 -27.832  68.444 -13.592
  277    H    ARG  37           HN       ARG  37 -23.724  66.916 -16.229
  278    HA   ARG  37           HA       ARG  37 -24.700  65.015 -18.297
  279    HB2  ARG  37           HB1      ARG  37 -24.233  67.189 -19.411
  280    HB3  ARG  37           HB2      ARG  37 -22.590  67.145 -18.790
  281    HG2  ARG  37           HG1      ARG  37 -22.067  65.204 -20.122
  282    HG3  ARG  37           HG2      ARG  37 -23.763  65.058 -20.643
  283    HD2  ARG  37           HD1      ARG  37 -22.572  66.078 -22.397
  284    HD3  ARG  37           HD2      ARG  37 -23.546  67.347 -21.620
  285    HE   ARG  37           HE       ARG  37 -21.068  67.412 -20.366
  286   HH11  ARG  37          HH11      ARG  37 -22.304  67.818 -23.630
  287   HH12  ARG  37          HH12      ARG  37 -21.040  68.931 -24.104
  288   HH21  ARG  37          HH21      ARG  37 -19.433  68.858 -20.994
  289   HH22  ARG  37          HH22      ARG  37 -19.415  69.520 -22.613
  290    H    VAL  38           HN       VAL  38 -23.779  63.118 -18.018
  291    HA   VAL  38           HA       VAL  38 -21.532  62.797 -16.217
  292    HB   VAL  38           HB       VAL  38 -22.908  60.806 -18.071
  293   HG11  VAL  38          HG11      VAL  38 -21.877  59.080 -16.676
  294   HG12  VAL  38          HG12      VAL  38 -20.661  60.073 -17.515
  295   HG13  VAL  38          HG13      VAL  38 -20.985  60.336 -15.784
  296   HG21  VAL  38          HG21      VAL  38 -24.046  60.077 -15.999
  297   HG22  VAL  38          HG22      VAL  38 -23.221  61.368 -15.093
  298   HG23  VAL  38          HG23      VAL  38 -24.399  61.783 -16.361
  299    H    LYS  39           HN       LYS  39 -19.460  62.974 -16.677
  300    HA   LYS  39           HA       LYS  39 -18.598  63.089 -19.489
  301    HB2  LYS  39           HB1      LYS  39 -17.731  64.734 -17.853
  302    HB3  LYS  39           HB2      LYS  39 -17.031  63.432 -16.901
  303    HG2  LYS  39           HG1      LYS  39 -15.486  62.878 -18.692
  304    HG3  LYS  39           HG2      LYS  39 -16.252  64.060 -19.763
  305    HD2  LYS  39           HD1      LYS  39 -15.615  65.879 -18.203
  306    HD3  LYS  39           HD2      LYS  39 -14.835  64.692 -17.147
  307    HE2  LYS  39           HE1      LYS  39 -13.288  64.078 -18.975
  308    HE3  LYS  39           HE2      LYS  39 -14.067  65.255 -20.035
  309    HZ1  LYS  39           HZ1      LYS  39 -12.081  66.134 -19.050
  310    HZ2  LYS  39           HZ2      LYS  39 -13.390  66.985 -18.517
  311    HZ3  LYS  39           HZ3      LYS  39 -12.661  65.885 -17.527
  312    H    GLN  40           HN       GLN  40 -18.109  61.040 -16.629
  313    HA   GLN  40           HA       GLN  40 -17.176  58.903 -18.475
  314    HB2  GLN  40           HB1      GLN  40 -15.168  59.931 -17.414
  315    HB3  GLN  40           HB2      GLN  40 -15.843  59.597 -15.826
  316    HG2  GLN  40           HG1      GLN  40 -15.702  57.221 -16.190
  317    HG3  GLN  40           HG2      GLN  40 -15.192  57.477 -17.882
  318   HE21  GLN  40          HE21      GLN  40 -12.219  56.740 -15.731
  319   HE22  GLN  40          HE22      GLN  40 -13.721  55.935 -16.044
  320    H    GLU  41           HN       GLU  41 -18.246  57.084 -18.228
  321    HA   GLU  41           HA       GLU  41 -20.284  56.886 -16.181
  322    HB2  GLU  41           HB1      GLU  41 -20.530  55.971 -18.501
  323    HB3  GLU  41           HB2      GLU  41 -19.297  54.771 -18.138
  324    HG2  GLU  41           HG1      GLU  41 -20.709  53.799 -16.403
  325    HG3  GLU  41           HG2      GLU  41 -21.931  55.040 -16.673
  326    H    GLY  42           HN       GLY  42 -20.304  55.856 -14.296
  327    HA2  GLY  42           HA1      GLY  42 -17.813  54.890 -13.165
  328    HA3  GLY  42           HA2      GLY  42 -19.386  54.876 -12.389
  329    H    LYS  43           HN       LYS  43 -16.965  52.938 -13.458
  330    HA   LYS  43           HA       LYS  43 -18.805  50.604 -13.576
  331    HB2  LYS  43           HB1      LYS  43 -16.469  51.080 -15.470
  332    HB3  LYS  43           HB2      LYS  43 -17.383  49.583 -15.353
  333    HG2  LYS  43           HG1      LYS  43 -19.434  50.803 -16.046
  334    HG3  LYS  43           HG2      LYS  43 -18.471  52.276 -16.221
  335    HD2  LYS  43           HD1      LYS  43 -17.044  51.134 -17.900
  336    HD3  LYS  43           HD2      LYS  43 -18.033  49.676 -17.737
  337    HE2  LYS  43           HE1      LYS  43 -20.021  50.944 -18.492
  338    HE3  LYS  43           HE2      LYS  43 -19.031  52.396 -18.662
  339    HZ1  LYS  43           HZ1      LYS  43 -19.317  51.274 -20.747
  340    HZ2  LYS  43           HZ2      LYS  43 -17.726  51.242 -20.312
  341    HZ3  LYS  43           HZ3      LYS  43 -18.652  49.886 -20.154
  342    H    LEU  44           HN       LEU  44 -18.049  48.720 -12.691
  343    HA   LEU  44           HA       LEU  44 -15.813  49.034 -10.827
  344    HB2  LEU  44           HB1      LEU  44 -17.656  46.692 -11.424
  345    HB3  LEU  44           HB2      LEU  44 -16.430  46.702 -10.152
  346    HG   LEU  44           HG       LEU  44 -18.775  48.629 -10.268
  347   HD11  LEU  44          HD11      LEU  44 -19.752  47.223  -8.509
  348   HD12  LEU  44          HD12      LEU  44 -19.551  46.326 -10.032
  349   HD13  LEU  44          HD13      LEU  44 -18.412  46.067  -8.689
  350   HD21  LEU  44          HD21      LEU  44 -18.132  49.048  -7.918
  351   HD22  LEU  44          HD22      LEU  44 -16.768  47.917  -8.089
  352   HD23  LEU  44          HD23      LEU  44 -16.793  49.430  -9.027
  353    H    GLY  45           HN       GLY  45 -13.885  47.937 -10.819
  354    HA2  GLY  45           HA1      GLY  45 -13.061  46.678 -13.372
  355    HA3  GLY  45           HA2      GLY  45 -12.007  47.123 -12.044
  356    H    LYS  46           HN       LYS  46 -11.100  44.958 -12.353
  357    HA   LYS  46           HA       LYS  46 -12.136  43.156 -10.362
  358    HB2  LYS  46           HB1      LYS  46 -13.701  42.590 -12.208
  359    HB3  LYS  46           HB2      LYS  46 -12.337  42.234 -13.258
  360    HG2  LYS  46           HG1      LYS  46 -11.711  40.327 -11.958
  361    HG3  LYS  46           HG2      LYS  46 -12.826  40.767 -10.657
  362    HD2  LYS  46           HD1      LYS  46 -13.960  39.070 -11.835
  363    HD3  LYS  46           HD2      LYS  46 -14.694  40.567 -12.429
  364    HE2  LYS  46           HE1      LYS  46 -13.416  40.492 -14.460
  365    HE3  LYS  46           HE2      LYS  46 -12.385  39.198 -13.843
  366    HZ1  LYS  46           HZ1      LYS  46 -14.039  38.367 -15.347
  367    HZ2  LYS  46           HZ2      LYS  46 -14.301  37.753 -13.838
  368    HZ3  LYS  46           HZ3      LYS  46 -15.264  38.961 -14.415
  369    H    LYS  47           HN       LYS  47 -10.391  42.431  -9.409
  370    HA   LYS  47           HA       LYS  47  -7.889  42.110 -10.928
  371    HB2  LYS  47           HB1      LYS  47  -7.800  43.072  -8.664
  372    HB3  LYS  47           HB2      LYS  47  -8.549  41.629  -7.995
  373    HG2  LYS  47           HG1      LYS  47  -6.592  40.289  -8.656
  374    HG3  LYS  47           HG2      LYS  47  -5.839  41.731  -9.354
  375    HD2  LYS  47           HD1      LYS  47  -5.809  42.819  -7.157
  376    HD3  LYS  47           HD2      LYS  47  -6.652  41.438  -6.438
  377    HE2  LYS  47           HE1      LYS  47  -4.743  39.971  -7.054
  378    HE3  LYS  47           HE2      LYS  47  -3.897  41.369  -7.725
  379    HZ1  LYS  47           HZ1      LYS  47  -3.184  40.891  -5.500
  380    HZ2  LYS  47           HZ2      LYS  47  -3.928  42.362  -5.541
  381    HZ3  LYS  47           HZ3      LYS  47  -4.716  41.056  -4.914
  382    H    VAL  48           HN       VAL  48  -7.166  40.310 -11.793
  383    HA   VAL  48           HA       VAL  48  -8.491  37.756 -10.981
  384    HB   VAL  48           HB       VAL  48  -7.179  38.471 -13.639
  385   HG11  VAL  48          HG11      VAL  48  -8.082  36.334 -14.417
  386   HG12  VAL  48          HG12      VAL  48  -6.914  36.121 -13.092
  387   HG13  VAL  48          HG13      VAL  48  -8.659  35.980 -12.772
  388   HG21  VAL  48          HG21      VAL  48  -9.489  38.375 -14.520
  389   HG22  VAL  48          HG22      VAL  48 -10.103  38.088 -12.875
  390   HG23  VAL  48          HG23      VAL  48  -9.326  39.638 -13.277
  391    H    GLU  49           HN       GLU  49  -7.283  36.274 -10.029
  392    HA   GLU  49           HA       GLU  49  -4.367  36.216 -10.594
  393    HB2  GLU  49           HB1      GLU  49  -4.677  37.557  -8.524
  394    HB3  GLU  49           HB2      GLU  49  -5.569  36.229  -7.795
  395    HG2  GLU  49           HG1      GLU  49  -3.589  34.813  -7.861
  396    HG3  GLU  49           HG2      GLU  49  -2.684  36.076  -8.693
  397    H    ILE  50           HN       ILE  50  -3.989  34.278 -11.379
  398    HA   ILE  50           HA       ILE  50  -5.555  31.977 -10.344
  399    HB   ILE  50           HB       ILE  50  -3.709  32.203 -12.759
  400   HG12  ILE  50          HG11      ILE  50  -6.720  31.934 -12.670
  401   HG13  ILE  50          HG12      ILE  50  -5.880  33.465 -12.857
  402   HG21  ILE  50          HG21      ILE  50  -4.585  29.982 -13.357
  403   HG22  ILE  50          HG22      ILE  50  -3.720  29.931 -11.804
  404   HG23  ILE  50          HG23      ILE  50  -5.499  29.927 -11.831
  405   HD11  ILE  50          HD11      ILE  50  -6.608  32.597 -15.008
  406   HD12  ILE  50          HD12      ILE  50  -4.831  32.653 -14.925
  407   HD13  ILE  50          HD13      ILE  50  -5.683  31.102 -14.737
  408    H    VAL  51           HN       VAL  51  -4.742  30.565  -8.969
  409    HA   VAL  51           HA       VAL  51  -1.786  30.627  -8.527
  410    HB   VAL  51           HB       VAL  51  -3.990  30.360  -6.437
  411   HG11  VAL  51          HG11      VAL  51  -2.171  30.401  -4.802
  412   HG12  VAL  51          HG12      VAL  51  -2.065  28.990  -5.881
  413   HG13  VAL  51          HG13      VAL  51  -0.982  30.381  -6.125
  414   HG21  VAL  51          HG21      VAL  51  -3.127  32.535  -5.631
  415   HG22  VAL  51          HG22      VAL  51  -1.973  32.577  -6.985
  416   HG23  VAL  51          HG23      VAL  51  -3.722  32.659  -7.303
  417    H    ARG  52           HN       ARG  52  -0.761  28.735  -8.523
  418    HA   ARG  52           HA       ARG  52  -2.376  26.274  -8.800
  419    HB2  ARG  52           HB1      ARG  52  -0.527  26.671 -10.384
  420    HB3  ARG  52           HB2      ARG  52   0.616  26.736  -9.052
  421    HG2  ARG  52           HG1      ARG  52   0.125  24.381  -8.514
  422    HG3  ARG  52           HG2      ARG  52  -1.012  24.321  -9.882
  423    HD2  ARG  52           HD1      ARG  52   1.899  25.032 -10.125
  424    HD3  ARG  52           HD2      ARG  52   1.233  23.399 -10.359
  425    HE   ARG  52           HE       ARG  52  -0.259  25.036 -12.014
  426   HH11  ARG  52          HH11      ARG  52   3.143  24.244 -11.638
  427   HH12  ARG  52          HH12      ARG  52   3.515  24.485 -13.331
  428   HH21  ARG  52          HH21      ARG  52   0.236  25.344 -14.208
  429   HH22  ARG  52          HH22      ARG  52   1.870  25.107 -14.786
  430    H    ILE  53           HN       ILE  53  -2.724  24.894  -7.211
  431    HA   ILE  53           HA       ILE  53  -1.184  25.262  -4.691
  432    HB   ILE  53           HB       ILE  53  -3.843  23.857  -5.196
  433   HG12  ILE  53          HG11      ILE  53  -3.295  26.446  -3.731
  434   HG13  ILE  53          HG12      ILE  53  -3.824  26.360  -5.404
  435   HG21  ILE  53          HG21      ILE  53  -3.981  23.725  -2.742
  436   HG22  ILE  53          HG22      ILE  53  -2.573  22.826  -3.352
  437   HG23  ILE  53          HG23      ILE  53  -2.351  24.427  -2.608
  438   HD11  ILE  53          HD11      ILE  53  -5.698  26.779  -3.913
  439   HD12  ILE  53          HD12      ILE  53  -5.874  25.198  -4.711
  440   HD13  ILE  53          HD13      ILE  53  -5.340  25.286  -3.016
  441    H    PHE  54           HN       PHE  54   0.428  23.933  -4.320
  442    HA   PHE  54           HA       PHE  54   0.488  21.325  -5.724
  443    HB2  PHE  54           HB1      PHE  54   2.484  22.783  -5.850
  444    HB3  PHE  54           HB2      PHE  54   2.619  22.770  -4.098
  445    HD1  PHE  54           HD1      PHE  54   1.934  20.001  -6.518
  446    HD2  PHE  54           HD2      PHE  54   4.553  21.636  -3.565
  447    HE1  PHE  54           HE1      PHE  54   3.339  17.971  -6.642
  448    HE2  PHE  54           HE2      PHE  54   5.962  19.608  -3.688
  449    HZ   PHE  54           HZ       PHE  54   5.353  17.774  -5.227
  450    H    SER  55           HN       SER  55  -0.145  19.535  -4.775
  451    HA   SER  55           HA       SER  55   0.227  19.300  -1.823
  452    HB2  SER  55           HB1      SER  55  -2.125  19.734  -2.187
  453    HB3  SER  55           HB2      SER  55  -2.206  18.524  -3.458
  454    HG   SER  55           HG       SER  55  -2.964  17.800  -1.451
  455    H    VAL  56           HN       VAL  56   0.834  17.326  -1.047
  456    HA   VAL  56           HA       VAL  56   1.333  15.217  -3.106
  457    HB   VAL  56           HB       VAL  56   3.141  16.008  -0.781
  458   HG11  VAL  56          HG11      VAL  56   4.686  14.332  -1.670
  459   HG12  VAL  56          HG12      VAL  56   3.150  13.607  -1.138
  460   HG13  VAL  56          HG13      VAL  56   3.468  13.848  -2.873
  461   HG21  VAL  56          HG21      VAL  56   4.725  16.643  -2.572
  462   HG22  VAL  56          HG22      VAL  56   3.502  16.233  -3.798
  463   HG23  VAL  56          HG23      VAL  56   3.222  17.588  -2.678
  464    H    ASN  57           HN       ASN  57   0.497  13.298  -2.663
  465    HA   ASN  57           HA       ASN  57  -0.708  11.678  -1.554
  466    HB2  ASN  57           HB1      ASN  57   1.113  12.544   0.716
  467    HB3  ASN  57           HB2      ASN  57   0.091  11.113   0.754
  468   HD21  ASN  57          HD21      ASN  57   3.655  10.490  -0.458
  469   HD22  ASN  57          HD22      ASN  57   3.049  11.503   0.809
  470    H    LYS  58           HN       LYS  58  -2.071  14.026  -1.808
  471    HA   LYS  58           HA       LYS  58  -3.870  15.195  -0.973
  472    HB2  LYS  58           HB1      LYS  58  -4.052  12.828   0.935
  473    HB3  LYS  58           HB2      LYS  58  -5.317  14.020   0.670
  474    HG2  LYS  58           HG1      LYS  58  -5.469  13.315  -1.703
  475    HG3  LYS  58           HG2      LYS  58  -4.230  12.089  -1.399
  476    HD2  LYS  58           HD1      LYS  58  -5.665  10.993   0.253
  477    HD3  LYS  58           HD2      LYS  58  -6.886  12.260   0.070
  478    HE2  LYS  58           HE1      LYS  58  -7.592  10.365  -1.235
  479    HE3  LYS  58           HE2      LYS  58  -7.090  11.632  -2.357
  480    HZ1  LYS  58           HZ1      LYS  58  -6.228   9.500  -2.990
  481    HZ2  LYS  58           HZ2      LYS  58  -4.983  10.507  -2.593
  482    HZ3  LYS  58           HZ3      LYS  58  -5.453   9.323  -1.545
  483    H    GLU  59           HN       GLU  59  -1.415  16.072  -0.075
  484    HA   GLU  59           HA       GLU  59  -2.322  17.351   2.432
  485    HB2  GLU  59           HB1      GLU  59  -0.885  15.458   3.159
  486    HB3  GLU  59           HB2      GLU  59   0.420  16.056   2.144
  487    HG2  GLU  59           HG1      GLU  59   0.568  18.093   3.478
  488    HG3  GLU  59           HG2      GLU  59  -0.797  17.571   4.463
  489    H    GLU  60           HN       GLU  60  -2.235  19.451   2.150
  490    HA   GLU  60           HA       GLU  60  -1.086  20.638  -0.160
  491    HB2  GLU  60           HB1      GLU  60  -2.963  21.602   1.201
  492    HB3  GLU  60           HB2      GLU  60  -1.810  21.995   2.469
  493    HG2  GLU  60           HG1      GLU  60  -0.631  23.517   0.982
  494    HG3  GLU  60           HG2      GLU  60  -1.683  23.066  -0.358
  495    H    VAL  61           HN       VAL  61   0.868  21.331  -0.662
  496    HA   VAL  61           HA       VAL  61   2.924  21.284   1.498
  497    HB   VAL  61           HB       VAL  61   3.221  21.041  -1.526
  498   HG11  VAL  61          HG11      VAL  61   5.573  20.549  -1.069
  499   HG12  VAL  61          HG12      VAL  61   5.124  22.192  -0.554
  500   HG13  VAL  61          HG13      VAL  61   5.311  20.899   0.655
  501   HG21  VAL  61          HG21      VAL  61   3.897  18.720  -0.999
  502   HG22  VAL  61          HG22      VAL  61   3.577  19.020   0.726
  503   HG23  VAL  61          HG23      VAL  61   2.238  19.048  -0.447
  504    H    SER  62           HN       SER  62   2.134  23.041  -1.530
  505    HA   SER  62           HA       SER  62   2.685  25.610  -0.287
  506    HB2  SER  62           HB1      SER  62   4.638  26.214  -1.535
  507    HB3  SER  62           HB2      SER  62   4.986  24.703  -0.708
  508    HG   SER  62           HG       SER  62   4.167  25.019  -3.383
  509    H    ARG  63           HN       ARG  63   2.803  27.363  -2.086
  510    HA   ARG  63           HA       ARG  63   1.032  26.585  -4.351
  511    HB2  ARG  63           HB1      ARG  63   0.623  29.004  -2.560
  512    HB3  ARG  63           HB2      ARG  63  -0.297  28.638  -4.011
  513    HG2  ARG  63           HG1      ARG  63  -1.109  26.549  -2.929
  514    HG3  ARG  63           HG2      ARG  63  -0.255  27.034  -1.444
  515    HD2  ARG  63           HD1      ARG  63  -1.562  29.140  -1.472
  516    HD3  ARG  63           HD2      ARG  63  -2.498  28.478  -2.832
  517    HE   ARG  63           HE       ARG  63  -2.448  26.648  -0.634
  518   HH11  ARG  63          HH11      ARG  63  -3.914  29.645  -1.733
  519   HH12  ARG  63          HH12      ARG  63  -5.364  29.432  -0.779
  520   HH21  ARG  63          HH21      ARG  63  -4.336  26.382   0.599
  521   HH22  ARG  63          HH22      ARG  63  -5.604  27.585   0.541
  522    H    GLU  64           HN       GLU  64   1.110  27.971  -6.172
  523    HA   GLU  64           HA       GLU  64   3.170  30.095  -6.150
  524    HB2  GLU  64           HB1      GLU  64   4.366  28.020  -6.823
  525    HB3  GLU  64           HB2      GLU  64   3.209  27.775  -8.124
  526    HG2  GLU  64           HG1      GLU  64   3.935  29.845  -9.197
  527    HG3  GLU  64           HG2      GLU  64   5.050  30.163  -7.870
  528    H    ILE  65           HN       ILE  65   2.655  31.796  -7.366
  529    HA   ILE  65           HA       ILE  65  -0.023  31.884  -8.455
  530    HB   ILE  65           HB       ILE  65   2.247  33.915  -8.521
  531   HG12  ILE  65          HG11      ILE  65  -0.249  33.858  -6.815
  532   HG13  ILE  65          HG12      ILE  65   1.314  33.255  -6.283
  533   HG21  ILE  65          HG21      ILE  65   0.509  35.543  -9.143
  534   HG22  ILE  65          HG22      ILE  65   0.673  34.279 -10.384
  535   HG23  ILE  65          HG23      ILE  65  -0.690  34.232  -9.241
  536   HD11  ILE  65          HD11      ILE  65   0.922  35.513  -5.471
  537   HD12  ILE  65          HD12      ILE  65   2.296  35.485  -6.602
  538   HD13  ILE  65          HD13      ILE  65   0.713  36.096  -7.139
  539    H    VAL  66           HN       VAL  66  -0.689  31.356 -10.400
  540    HA   VAL  66           HA       VAL  66   1.256  30.653 -12.464
  541    HB   VAL  66           HB       VAL  66  -1.792  30.671 -12.458
  542   HG11  VAL  66          HG11      VAL  66  -1.637  29.331 -14.499
  543   HG12  VAL  66          HG12      VAL  66  -0.954  30.959 -14.718
  544   HG13  VAL  66          HG13      VAL  66   0.128  29.560 -14.515
  545   HG21  VAL  66          HG21      VAL  66  -1.518  28.218 -12.285
  546   HG22  VAL  66          HG22      VAL  66   0.249  28.421 -12.228
  547   HG23  VAL  66          HG23      VAL  66  -0.762  29.049 -10.905
  548    H    SER  67           HN       SER  67  -1.390  33.042 -12.122
  549    HA   SER  67           HA       SER  67  -0.030  34.828 -14.019
  550    HB2  SER  67           HB1      SER  67  -1.265  33.328 -15.518
  551    HB3  SER  67           HB2      SER  67  -2.750  33.625 -14.629
  552    HG   SER  67           HG       SER  67  -1.406  35.176 -16.432
  553    H    THR  68           HN       THR  68  -0.591  36.938 -13.793
  554    HA   THR  68           HA       THR  68  -2.932  37.546 -12.052
  555    HB   THR  68           HB       THR  68  -0.176  38.826 -11.801
  556    HG1  THR  68           HG1      THR  68  -1.187  37.726  -9.554
  557   HG21  THR  68          HG21      THR  68  -1.181  40.041  -9.908
  558   HG22  THR  68          HG22      THR  68  -2.025  40.422 -11.428
  559   HG23  THR  68          HG23      THR  68  -2.758  39.296 -10.262
  560    H    SER  69           HN       SER  69  -4.203  39.135 -12.734
  561    HA   SER  69           HA       SER  69  -3.175  41.274 -14.435
  562    HB2  SER  69           HB1      SER  69  -3.515  39.528 -16.112
  563    HB3  SER  69           HB2      SER  69  -5.152  39.252 -15.537
  564    HG   SER  69           HG       SER  69  -4.070  41.466 -16.851
  565    H    THR  70           HN       THR  70  -4.153  43.066 -13.839
  566    HA   THR  70           HA       THR  70  -6.801  42.804 -12.484
  567    HB   THR  70           HB       THR  70  -4.655  44.942 -12.138
  568    HG1  THR  70           HG1      THR  70  -3.941  43.634 -10.648
  569   HG21  THR  70          HG21      THR  70  -6.078  45.734 -10.289
  570   HG22  THR  70          HG22      THR  70  -6.944  45.823 -11.842
  571   HG23  THR  70          HG23      THR  70  -7.300  44.508 -10.699
  572    H    THR  71           HN       THR  71  -8.517  43.644 -13.412
  573    HA   THR  71           HA       THR  71  -8.195  45.528 -15.656
  574    HB   THR  71           HB       THR  71 -10.690  44.283 -14.422
  575    HG1  THR  71           HG1      THR  71  -9.302  42.831 -15.569
  576   HG21  THR  71          HG21      THR  71 -11.836  45.128 -16.433
  577   HG22  THR  71          HG22      THR  71 -11.162  46.468 -15.475
  578   HG23  THR  71          HG23      THR  71 -10.337  45.929 -16.956
  579    H    ALA  72           HN       ALA  72  -8.182  47.637 -15.449
  580    HA   ALA  72           HA       ALA  72  -8.470  48.836 -12.850
  581    HB1  ALA  72           HB1      ALA  72  -8.078  50.966 -14.044
  582    HB2  ALA  72           HB2      ALA  72  -6.904  49.717 -14.522
  583    HB3  ALA  72           HB3      ALA  72  -8.262  50.121 -15.597
  584    HA   PRO  73           HA       PRO  73 -12.750  49.735 -12.959
  585    HB2  PRO  73           HB1      PRO  73 -12.907  51.483 -10.871
  586    HB3  PRO  73           HB2      PRO  73 -12.564  49.768 -10.614
  587    HG2  PRO  73           HG1      PRO  73 -10.612  52.105 -10.765
  588    HG3  PRO  73           HG2      PRO  73 -10.693  50.825  -9.550
  589    HD2  PRO  73           HD1      PRO  73  -8.959  50.702 -11.666
  590    HD3  PRO  73           HD2      PRO  73  -9.711  49.217 -10.955
  591    H    SER  74           HN       SER  74 -14.211  51.698 -13.101
  592    HA   SER  74           HA       SER  74 -12.806  53.959 -14.465
  593    HB2  SER  74           HB1      SER  74 -14.069  52.623 -16.071
  594    HB3  SER  74           HB2      SER  74 -15.513  52.729 -15.075
  595    HG   SER  74           HG       SER  74 -15.897  54.569 -15.869
  596    HA   PRO  75           HA       PRO  75 -14.647  55.956 -10.845
  597    HB2  PRO  75           HB1      PRO  75 -12.955  58.132 -12.127
  598    HB3  PRO  75           HB2      PRO  75 -13.120  57.715 -10.417
  599    HG2  PRO  75           HG1      PRO  75 -10.931  56.917 -11.700
  600    HG3  PRO  75           HG2      PRO  75 -11.734  55.788 -10.606
  601    HD2  PRO  75           HD1      PRO  75 -11.886  55.952 -13.644
  602    HD3  PRO  75           HD2      PRO  75 -11.723  54.491 -12.589
  603    H    ARG  76           HN       ARG  76 -16.405  57.318 -10.783
  604    HA   ARG  76           HA       ARG  76 -17.575  57.984 -13.409
  605    HB2  ARG  76           HB1      ARG  76 -18.894  56.783 -11.651
  606    HB3  ARG  76           HB2      ARG  76 -18.785  58.210 -10.631
  607    HG2  ARG  76           HG1      ARG  76 -20.216  59.455 -11.984
  608    HG3  ARG  76           HG2      ARG  76 -19.962  58.399 -13.395
  609    HD2  ARG  76           HD1      ARG  76 -22.108  57.938 -12.559
  610    HD3  ARG  76           HD2      ARG  76 -21.067  56.576 -12.084
  611    HE   ARG  76           HE       ARG  76 -21.236  58.632 -10.061
  612   HH11  ARG  76          HH11      ARG  76 -22.814  55.794 -11.401
  613   HH12  ARG  76          HH12      ARG  76 -23.652  55.404  -9.916
  614   HH21  ARG  76          HH21      ARG  76 -22.329  58.116  -8.139
  615   HH22  ARG  76          HH22      ARG  76 -23.378  56.718  -8.069
  616    H    ILE  77           HN       ILE  77 -17.600  59.939 -14.261
  617    HA   ILE  77           HA       ILE  77 -17.078  62.256 -12.445
  618    HB   ILE  77           HB       ILE  77 -16.131  61.869 -15.317
  619   HG12  ILE  77          HG11      ILE  77 -14.523  62.075 -12.762
  620   HG13  ILE  77          HG12      ILE  77 -14.912  60.565 -13.571
  621   HG21  ILE  77          HG21      ILE  77 -14.989  64.026 -14.995
  622   HG22  ILE  77          HG22      ILE  77 -16.753  64.207 -14.845
  623   HG23  ILE  77          HG23      ILE  77 -15.735  64.185 -13.387
  624   HD11  ILE  77          HD11      ILE  77 -12.668  61.309 -14.136
  625   HD12  ILE  77          HD12      ILE  77 -13.711  61.315 -15.579
  626   HD13  ILE  77          HD13      ILE  77 -13.315  62.845 -14.759
  627    H    VAL  78           HN       VAL  78 -18.566  63.778 -12.400
  628    HA   VAL  78           HA       VAL  78 -20.527  63.862 -14.656
  629    HB   VAL  78           HB       VAL  78 -21.039  64.349 -11.690
  630   HG11  VAL  78          HG11      VAL  78 -23.388  64.579 -12.334
  631   HG12  VAL  78          HG12      VAL  78 -22.368  65.834 -13.076
  632   HG13  VAL  78          HG13      VAL  78 -22.929  64.453 -14.049
  633   HG21  VAL  78          HG21      VAL  78 -22.453  62.327 -11.872
  634   HG22  VAL  78          HG22      VAL  78 -21.958  62.136 -13.571
  635   HG23  VAL  78          HG23      VAL  78 -20.757  61.964 -12.269
  636    H    GLU  79           HN       GLU  79 -20.947  65.781 -15.564
  637    HA   GLU  79           HA       GLU  79 -19.387  68.095 -14.579
  638    HB2  GLU  79           HB1      GLU  79 -20.957  67.669 -17.153
  639    HB3  GLU  79           HB2      GLU  79 -20.047  69.122 -16.766
  640    HG2  GLU  79           HG1      GLU  79 -17.971  67.795 -16.676
  641    HG3  GLU  79           HG2      GLU  79 -18.888  66.344 -17.077
  642    H    LYS  80           HN       LYS  80 -20.221  69.969 -13.853
  643    HA   LYS  80           HA       LYS  80 -23.198  70.070 -13.591
  644    HB2  LYS  80           HB1      LYS  80 -22.104  69.670 -11.415
  645    HB3  LYS  80           HB2      LYS  80 -21.084  71.082 -11.648
  646    HG2  LYS  80           HG1      LYS  80 -23.104  72.525 -11.637
  647    HG3  LYS  80           HG2      LYS  80 -24.100  71.093 -11.342
  648    HD2  LYS  80           HD1      LYS  80 -22.928  70.669  -9.233
  649    HD3  LYS  80           HD2      LYS  80 -21.838  72.030  -9.539
  650    HE2  LYS  80           HE1      LYS  80 -23.794  73.571  -9.521
  651    HE3  LYS  80           HE2      LYS  80 -24.849  72.205  -9.151
  652    HZ1  LYS  80           HZ1      LYS  80 -24.234  73.403  -7.183
  653    HZ2  LYS  80           HZ2      LYS  80 -23.614  71.876  -7.120
  654    HZ3  LYS  80           HZ3      LYS  80 -22.629  73.153  -7.466
  655    H    GLY  81           HN       GLY  81 -23.954  71.480 -14.995
  656    HA2  GLY  81           HA1      GLY  81 -22.451  73.515 -16.268
  657    HA3  GLY  81           HA2      GLY  81 -24.202  73.432 -16.221
  658    H    THR  82           HN       THR  82 -22.088  75.641 -15.868
  659    HA   THR  82           HA       THR  82 -23.474  76.976 -13.635
  660    HB   THR  82           HB       THR  82 -21.522  75.825 -12.562
  661    HG1  THR  82           HG1      THR  82 -21.557  77.534 -11.330
  662   HG21  THR  82          HG21      THR  82 -19.254  76.642 -13.073
  663   HG22  THR  82          HG22      THR  82 -19.991  75.876 -14.500
  664   HG23  THR  82          HG23      THR  82 -19.908  77.649 -14.385
  665    H    LYS  83           HN       LYS  83 -22.873  79.278 -13.456
  666    HA   LYS  83           HA       LYS  83 -22.374  80.355 -16.184
  667    HB2  LYS  83           HB1      LYS  83 -23.632  81.612 -13.714
  668    HB3  LYS  83           HB2      LYS  83 -23.334  82.476 -15.216
  669    HG2  LYS  83           HG1      LYS  83 -24.854  80.968 -16.414
  670    HG3  LYS  83           HG2      LYS  83 -25.125  80.046 -14.929
  671    HD2  LYS  83           HD1      LYS  83 -26.069  82.048 -13.842
  672    HD3  LYS  83           HD2      LYS  83 -25.768  82.995 -15.307
  673    HE2  LYS  83           HE1      LYS  83 -27.317  81.603 -16.579
  674    HE3  LYS  83           HE2      LYS  83 -27.547  80.532 -15.194
  675    HZ1  LYS  83           HZ1      LYS  83 -29.331  82.101 -15.401
  676    HZ2  LYS  83           HZ2      LYS  83 -28.507  82.378 -13.999
  677    HZ3  LYS  83           HZ3      LYS  83 -28.294  83.378 -15.294
  678    H    LYS  84           HN       LYS  84 -20.589  79.610 -13.577
  679    HA   LYS  84           HA       LYS  84 -19.108  81.947 -12.980
  680    HB2  LYS  84           HB1      LYS  84 -18.270  79.023 -13.028
  681    HB3  LYS  84           HB2      LYS  84 -17.253  80.313 -12.402
  682    HG2  LYS  84           HG1      LYS  84 -18.956  80.845 -10.702
  683    HG3  LYS  84           HG2      LYS  84 -19.990  79.557 -11.336
  684    HD2  LYS  84           HD1      LYS  84 -18.196  77.902 -10.840
  685    HD3  LYS  84           HD2      LYS  84 -17.211  79.202 -10.152
  686    HE2  LYS  84           HE1      LYS  84 -18.923  79.633  -8.447
  687    HE3  LYS  84           HE2      LYS  84 -19.971  78.403  -9.157
  688    HZ1  LYS  84           HZ1      LYS  84 -18.772  77.561  -7.275
  689    HZ2  LYS  84           HZ2      LYS  84 -18.299  76.762  -8.638
  690    HZ3  LYS  84           HZ3      LYS  84 -17.320  77.912  -7.974
  Start of MODEL    7
    1    H1   GLY   1          1HN       GLY   1  -0.334  -0.943  -0.000
    2    H2   GLY   1          2HN       GLY   1  -0.334   0.471   0.816
    3    H3   GLY   1          3HN       GLY   1  -0.334   0.471  -0.816
    4    HA2  GLY   1           HA1      GLY   1   1.822  -0.535   0.877
    5    HA3  GLY   1           HA2      GLY   1   1.822  -0.535  -0.876
    6    H    SER   2           HN       SER   2   3.707   0.775  -0.891
    7    HA   SER   2           HA       SER   2   3.431   3.531   0.157
    8    HB2  SER   2           HB1      SER   2   5.778   3.768  -0.362
    9    HB3  SER   2           HB2      SER   2   5.540   2.261   0.509
   10    HG   SER   2           HG       SER   2   5.995   2.691  -2.216
   11    H    HIS   3           HN       HIS   3   3.443   1.732  -2.853
   12    HA   HIS   3           HA       HIS   3   2.650   4.230  -4.267
   13    HB2  HIS   3           HB1      HIS   3   4.782   2.309  -5.274
   14    HB3  HIS   3           HB2      HIS   3   4.090   3.639  -6.192
   15    HD2  HIS   3           HD2      HIS   3   5.109   6.174  -5.585
   16    HE1  HIS   3           HE1      HIS   3   7.908   4.829  -2.666
   17    HE2  HIS   3           HE2      HIS   3   7.130   6.809  -4.072
   18    H    ASN   4           HN       ASN   4   1.123   1.995  -3.267
   19    HA   ASN   4           HA       ASN   4  -0.435   1.493  -5.622
   20    HB2  ASN   4           HB1      ASN   4   1.695  -0.188  -5.567
   21    HB3  ASN   4           HB2      ASN   4   0.562  -1.112  -4.589
   22   HD21  ASN   4          HD21      ASN   4   0.286  -1.678  -8.365
   23   HD22  ASN   4          HD22      ASN   4   1.679  -1.436  -7.365
   24    H    LYS   5           HN       LYS   5  -2.129  -0.300  -5.143
   25    HA   LYS   5           HA       LYS   5  -3.450   0.677  -2.751
   26    HB2  LYS   5           HB1      LYS   5  -4.712   0.206  -4.814
   27    HB3  LYS   5           HB2      LYS   5  -4.248  -1.488  -4.737
   28    HG2  LYS   5           HG1      LYS   5  -5.520  -1.780  -2.670
   29    HG3  LYS   5           HG2      LYS   5  -5.932  -0.059  -2.660
   30    HD2  LYS   5           HD1      LYS   5  -7.115  -0.323  -4.814
   31    HD3  LYS   5           HD2      LYS   5  -6.695  -2.043  -4.836
   32    HE2  LYS   5           HE1      LYS   5  -7.955  -2.377  -2.733
   33    HE3  LYS   5           HE2      LYS   5  -8.376  -0.662  -2.710
   34    HZ1  LYS   5           HZ1      LYS   5 -10.132  -1.989  -3.629
   35    HZ2  LYS   5           HZ2      LYS   5  -9.535  -0.978  -4.787
   36    HZ3  LYS   5           HZ3      LYS   5  -9.143  -2.580  -4.808
   37    HA   PRO   6           HA       PRO   6  -2.857  -3.735  -1.217
   38    HB2  PRO   6           HB1      PRO   6  -1.331  -5.541  -2.539
   39    HB3  PRO   6           HB2      PRO   6  -2.978  -5.186  -3.076
   40    HG2  PRO   6           HG1      PRO   6  -0.344  -4.058  -4.130
   41    HG3  PRO   6           HG2      PRO   6  -1.670  -4.773  -5.053
   42    HD2  PRO   6           HD1      PRO   6  -1.427  -2.063  -4.727
   43    HD3  PRO   6           HD2      PRO   6  -3.040  -2.875  -4.847
   44    H    GLU   7           HN       GLU   7  -0.815  -5.222  -0.449
   45    HA   GLU   7           HA       GLU   7   0.852  -3.227   0.857
   46    HB2  GLU   7           HB1      GLU   7   0.779  -6.265   1.041
   47    HB3  GLU   7           HB2      GLU   7   1.816  -5.247   2.030
   48    HG2  GLU   7           HG1      GLU   7  -1.193  -4.972   1.977
   49    HG3  GLU   7           HG2      GLU   7  -0.336  -6.042   3.084
   50    H    LEU   8           HN       LEU   8   1.735  -2.571  -1.349
   51    HA   LEU   8           HA       LEU   8   4.241  -4.136  -1.802
   52    HB2  LEU   8           HB1      LEU   8   2.807  -2.275  -3.729
   53    HB3  LEU   8           HB2      LEU   8   4.295  -3.167  -4.060
   54    HG   LEU   8           HG       LEU   8   1.580  -4.425  -3.529
   55   HD11  LEU   8          HD11      LEU   8   1.628  -4.951  -5.926
   56   HD12  LEU   8          HD12      LEU   8   1.645  -3.195  -5.637
   57   HD13  LEU   8          HD13      LEU   8   3.145  -4.036  -6.096
   58   HD21  LEU   8          HD21      LEU   8   2.713  -6.493  -4.269
   59   HD22  LEU   8          HD22      LEU   8   4.247  -5.601  -4.416
   60   HD23  LEU   8          HD23      LEU   8   3.494  -5.820  -2.818
   61    H    LEU   9           HN       LEU   9   5.838  -3.221  -0.712
   62    HA   LEU   9           HA       LEU   9   5.835  -0.259  -0.422
   63    HB2  LEU   9           HB1      LEU   9   7.432  -2.363   1.080
   64    HB3  LEU   9           HB2      LEU   9   7.411  -0.631   1.425
   65    HG   LEU   9           HG       LEU   9   5.026  -2.497   1.695
   66   HD11  LEU   9          HD11      LEU   9   5.388  -2.215   4.106
   67   HD12  LEU   9          HD12      LEU   9   6.783  -2.989   3.318
   68   HD13  LEU   9          HD13      LEU   9   6.859  -1.271   3.775
   69   HD21  LEU   9          HD21      LEU   9   4.003  -0.554   2.831
   70   HD22  LEU   9          HD22      LEU   9   5.455   0.415   2.482
   71   HD23  LEU   9          HD23      LEU   9   4.428  -0.161   1.148
   72    H    TYR  10           HN       TYR  10   7.396   1.006  -1.219
   73    HA   TYR  10           HA       TYR  10   9.761  -0.342  -2.449
   74    HB2  TYR  10           HB1      TYR  10   8.238   2.023  -3.618
   75    HB3  TYR  10           HB2      TYR  10   9.674   1.274  -4.304
   76    HD1  TYR  10           HD1      TYR  10   6.068   1.062  -3.894
   77    HD2  TYR  10           HD2      TYR  10   9.569  -1.015  -5.250
   78    HE1  TYR  10           HE1      TYR  10   4.645  -0.508  -5.165
   79    HE2  TYR  10           HE2      TYR  10   8.146  -2.584  -6.522
   80    HH   TYR  10           HH       TYR  10   6.078  -3.172  -7.057
   81    H    ARG  11           HN       ARG  11  10.864   0.134  -0.483
   82    HA   ARG  11           HA       ARG  11  11.040   2.956   0.329
   83    HB2  ARG  11           HB1      ARG  11  10.835   1.169   2.028
   84    HB3  ARG  11           HB2      ARG  11  12.352   0.470   1.483
   85    HG2  ARG  11           HG1      ARG  11  13.555   2.489   2.182
   86    HG3  ARG  11           HG2      ARG  11  12.021   3.218   2.714
   87    HD2  ARG  11           HD1      ARG  11  11.720   1.495   4.347
   88    HD3  ARG  11           HD2      ARG  11  13.168   0.643   3.764
   89    HE   ARG  11           HE       ARG  11  14.520   2.206   4.818
   90   HH11  ARG  11          HH11      ARG  11  11.142   3.145   5.038
   91   HH12  ARG  11          HH12      ARG  11  11.431   4.364   6.259
   92   HH21  ARG  11          HH21      ARG  11  14.882   3.791   6.404
   93   HH22  ARG  11          HH22      ARG  11  13.547   4.731   7.033
   94    H    GLU  12           HN       GLU  12  12.304   4.194  -0.900
   95    HA   GLU  12           HA       GLU  12  14.862   3.124  -1.918
   96    HB2  GLU  12           HB1      GLU  12  13.469   5.803  -2.309
   97    HB3  GLU  12           HB2      GLU  12  15.018   5.384  -3.026
   98    HG2  GLU  12           HG1      GLU  12  13.968   3.548  -4.266
   99    HG3  GLU  12           HG2      GLU  12  12.414   3.925  -3.523
  100    H    GLU  13           HN       GLU  13  16.730   3.358  -0.937
  101    HA   GLU  13           HA       GLU  13  16.987   5.562   1.068
  102    HB2  GLU  13           HB1      GLU  13  18.165   2.756   1.165
  103    HB3  GLU  13           HB2      GLU  13  18.584   4.048   2.281
  104    HG2  GLU  13           HG1      GLU  13  16.219   4.155   3.014
  105    HG3  GLU  13           HG2      GLU  13  15.843   2.815   1.932
  106    H    THR  14           HN       THR  14  18.790   6.791   1.050
  107    HA   THR  14           HA       THR  14  20.581   6.394  -1.289
  108    HB   THR  14           HB       THR  14  20.173   8.830   0.499
  109    HG1  THR  14           HG1      THR  14  19.338   9.571  -1.671
  110   HG21  THR  14          HG21      THR  14  21.528  10.006  -1.190
  111   HG22  THR  14          HG22      THR  14  22.462   8.700  -0.423
  112   HG23  THR  14          HG23      THR  14  21.789   8.474  -2.054
  113    H    ILE  15           HN       ILE  15  22.441   5.426  -0.997
  114    HA   ILE  15           HA       ILE  15  23.695   5.497   1.692
  115    HB   ILE  15           HB       ILE  15  24.346   3.832  -0.778
  116   HG12  ILE  15          HG11      ILE  15  23.149   2.955   1.856
  117   HG13  ILE  15          HG12      ILE  15  22.192   3.341   0.435
  118   HG21  ILE  15          HG21      ILE  15  25.859   2.595   0.719
  119   HG22  ILE  15          HG22      ILE  15  26.355   4.297   0.573
  120   HG23  ILE  15          HG23      ILE  15  25.503   3.742   2.033
  121   HD11  ILE  15          HD11      ILE  15  22.543   0.944   0.631
  122   HD12  ILE  15          HD12      ILE  15  23.337   1.575  -0.832
  123   HD13  ILE  15          HD13      ILE  15  24.306   1.182   0.608
  124    H    GLU  16           HN       GLU  16  25.294   6.816   2.158
  125    HA   GLU  16           HA       GLU  16  26.929   7.888  -0.103
  126    HB2  GLU  16           HB1      GLU  16  25.963   9.385   2.368
  127    HB3  GLU  16           HB2      GLU  16  27.097  10.023   1.187
  128    HG2  GLU  16           HG1      GLU  16  25.360   9.840  -0.563
  129    HG3  GLU  16           HG2      GLU  16  24.225   9.240   0.645
  130    H    THR  17           HN       THR  17  28.911   7.142   0.028
  131    HA   THR  17           HA       THR  17  30.097   6.793   2.749
  132    HB   THR  17           HB       THR  17  30.768   5.331   0.159
  133    HG1  THR  17           HG1      THR  17  29.500   4.528   2.589
  134   HG21  THR  17          HG21      THR  17  32.293   4.004   1.567
  135   HG22  THR  17          HG22      THR  17  32.765   5.720   1.561
  136   HG23  THR  17          HG23      THR  17  31.909   5.036   2.963
  137    H    LYS  18           HN       LYS  18  31.608   8.168   3.302
  138    HA   LYS  18           HA       LYS  18  32.676  10.087   1.440
  139    HB2  LYS  18           HB1      LYS  18  33.478   9.361   4.284
  140    HB3  LYS  18           HB2      LYS  18  34.179  10.698   3.383
  141    HG2  LYS  18           HG1      LYS  18  31.952  11.752   3.208
  142    HG3  LYS  18           HG2      LYS  18  31.253  10.409   4.123
  143    HD2  LYS  18           HD1      LYS  18  32.739  10.949   6.036
  144    HD3  LYS  18           HD2      LYS  18  33.410  12.307   5.121
  145    HE2  LYS  18           HE1      LYS  18  31.182  13.354   5.015
  146    HE3  LYS  18           HE2      LYS  18  30.484  11.988   5.889
  147    HZ1  LYS  18           HZ1      LYS  18  30.938  13.825   7.341
  148    HZ2  LYS  18           HZ2      LYS  18  31.887  12.541   7.756
  149    HZ3  LYS  18           HZ3      LYS  18  32.537  13.818   6.940
  150    H    ILE  19           HN       ILE  19  34.582  10.234   0.406
  151    HA   ILE  19           HA       ILE  19  36.158   7.703   0.341
  152    HB   ILE  19           HB       ILE  19  35.963   9.896  -1.768
  153   HG12  ILE  19          HG11      ILE  19  33.831   8.771  -1.528
  154   HG13  ILE  19          HG12      ILE  19  34.605   8.312  -3.036
  155   HG21  ILE  19          HG21      ILE  19  37.083   8.245  -3.211
  156   HG22  ILE  19          HG22      ILE  19  38.094   8.658  -1.807
  157   HG23  ILE  19          HG23      ILE  19  37.201   7.119  -1.838
  158   HD11  ILE  19          HD11      ILE  19  33.567   6.392  -1.964
  159   HD12  ILE  19          HD12      ILE  19  35.335   6.191  -2.032
  160   HD13  ILE  19          HD13      ILE  19  34.549   6.655  -0.504
  161    H    ASP  20           HN       ASP  20  38.160   7.670   1.061
  162    HA   ASP  20           HA       ASP  20  39.322  10.031   2.235
  163    HB2  ASP  20           HB1      ASP  20  40.420   7.244   1.714
  164    HB3  ASP  20           HB2      ASP  20  41.341   8.498   2.533
  165    H    PHE  21           HN       PHE  21  41.538  10.789   1.777
  166    HA   PHE  21           HA       PHE  21  42.206  10.655  -1.122
  167    HB2  PHE  21           HB1      PHE  21  42.498  13.070  -1.233
  168    HB3  PHE  21           HB2      PHE  21  40.854  12.704  -0.733
  169    HD1  PHE  21           HD1      PHE  21  44.117  13.996   0.361
  170    HD2  PHE  21           HD2      PHE  21  40.053  13.274   1.462
  171    HE1  PHE  21           HE1      PHE  21  44.398  15.446   2.343
  172    HE2  PHE  21           HE2      PHE  21  40.329  14.726   3.444
  173    HZ   PHE  21           HZ       PHE  21  42.504  15.811   3.885
  174    H    GLN  22           HN       GLN  22  44.370  11.506  -1.614
  175    HA   GLN  22           HA       GLN  22  46.226  10.659   0.541
  176    HB2  GLN  22           HB1      GLN  22  46.719  11.122  -2.429
  177    HB3  GLN  22           HB2      GLN  22  47.908  10.523  -1.281
  178    HG2  GLN  22           HG1      GLN  22  45.316   9.130  -1.982
  179    HG3  GLN  22           HG2      GLN  22  46.928   8.740  -2.645
  180   HE21  GLN  22          HE21      GLN  22  45.712   6.897   0.627
  181   HE22  GLN  22          HE22      GLN  22  44.705   7.635  -0.574
  182    H    GLU  23           HN       GLU  23  48.144  11.829   1.007
  183    HA   GLU  23           HA       GLU  23  47.916  14.744   0.386
  184    HB2  GLU  23           HB1      GLU  23  47.262  14.273   2.730
  185    HB3  GLU  23           HB2      GLU  23  48.796  13.461   3.005
  186    HG2  GLU  23           HG1      GLU  23  50.006  15.545   2.644
  187    HG3  GLU  23           HG2      GLU  23  48.501  16.378   2.259
  188    H    GLU  24           HN       GLU  24  49.686  15.772  -0.293
  189    HA   GLU  24           HA       GLU  24  52.317  14.440  -0.018
  190    HB2  GLU  24           HB1      GLU  24  51.399  13.610  -2.160
  191    HB3  GLU  24           HB2      GLU  24  51.117  15.260  -2.695
  192    HG2  GLU  24           HG1      GLU  24  53.527  15.704  -2.654
  193    HG3  GLU  24           HG2      GLU  24  53.828  14.069  -2.072
  194    H    ILE  25           HN       ILE  25  53.882  15.825   0.433
  195    HA   ILE  25           HA       ILE  25  53.408  18.705  -0.201
  196    HB   ILE  25           HB       ILE  25  55.222  17.456   1.909
  197   HG12  ILE  25          HG11      ILE  25  52.700  19.091   2.263
  198   HG13  ILE  25          HG12      ILE  25  52.762  17.338   2.353
  199   HG21  ILE  25          HG21      ILE  25  55.589  19.779   2.639
  200   HG22  ILE  25          HG22      ILE  25  56.160  19.535   0.972
  201   HG23  ILE  25          HG23      ILE  25  54.616  20.367   1.270
  202   HD11  ILE  25          HD11      ILE  25  52.809  18.333   4.571
  203   HD12  ILE  25          HD12      ILE  25  54.335  17.478   4.236
  204   HD13  ILE  25          HD13      ILE  25  54.270  19.254   4.146
  205    H    GLN  26           HN       GLN  26  54.516  19.529  -1.815
  206    HA   GLN  26           HA       GLN  26  56.923  18.026  -2.737
  207    HB2  GLN  26           HB1      GLN  26  55.026  19.843  -4.278
  208    HB3  GLN  26           HB2      GLN  26  56.462  19.087  -4.955
  209    HG2  GLN  26           HG1      GLN  26  55.501  16.862  -4.485
  210    HG3  GLN  26           HG2      GLN  26  54.028  17.660  -3.867
  211   HE21  GLN  26          HE21      GLN  26  53.679  16.621  -7.487
  212   HE22  GLN  26          HE22      GLN  26  54.220  15.786  -6.068
  213    H    GLU  27           HN       GLU  27  58.790  19.083  -3.339
  214    HA   GLU  27           HA       GLU  27  59.209  21.630  -1.932
  215    HB2  GLU  27           HB1      GLU  27  60.867  19.762  -1.796
  216    HB3  GLU  27           HB2      GLU  27  61.162  19.917  -3.522
  217    HG2  GLU  27           HG1      GLU  27  61.984  22.209  -3.184
  218    HG3  GLU  27           HG2      GLU  27  61.677  22.066  -1.455
  219    H    ASN  28           HN       ASN  28  58.571  23.420  -2.911
  220    HA   ASN  28           HA       ASN  28  58.819  23.604  -5.863
  221    HB2  ASN  28           HB1      ASN  28  56.648  24.162  -4.748
  222    HB3  ASN  28           HB2      ASN  28  57.449  25.489  -3.918
  223   HD21  ASN  28          HD21      ASN  28  55.821  26.940  -6.848
  224   HD22  ASN  28          HD22      ASN  28  55.361  26.167  -5.369
  225    HA   PRO  29           HA       PRO  29  62.522  25.823  -5.088
  226    HB2  PRO  29           HB1      PRO  29  63.347  26.013  -7.706
  227    HB3  PRO  29           HB2      PRO  29  63.467  24.512  -6.779
  228    HG2  PRO  29           HG1      PRO  29  61.291  25.383  -8.729
  229    HG3  PRO  29           HG2      PRO  29  62.150  23.841  -8.668
  230    HD2  PRO  29           HD1      PRO  29  59.694  24.112  -7.543
  231    HD3  PRO  29           HD2      PRO  29  60.964  23.081  -6.770
  232    H    ASP  30           HN       ASP  30  59.730  26.790  -6.834
  233    HA   ASP  30           HA       ASP  30  60.688  29.449  -7.570
  234    HB2  ASP  30           HB1      ASP  30  57.911  28.206  -7.518
  235    HB3  ASP  30           HB2      ASP  30  58.232  29.849  -8.055
  236    H    LEU  31           HN       LEU  31  59.630  27.968  -4.708
  237    HA   LEU  31           HA       LEU  31  58.881  30.617  -3.551
  238    HB2  LEU  31           HB1      LEU  31  58.316  27.819  -2.506
  239    HB3  LEU  31           HB2      LEU  31  57.810  29.328  -1.740
  240    HG   LEU  31           HG       LEU  31  56.865  28.317  -4.446
  241   HD11  LEU  31          HD11      LEU  31  54.736  27.955  -3.280
  242   HD12  LEU  31          HD12      LEU  31  56.043  26.969  -2.583
  243   HD13  LEU  31          HD13      LEU  31  55.494  28.440  -1.745
  244   HD21  LEU  31          HD21      LEU  31  55.266  30.195  -4.281
  245   HD22  LEU  31          HD22      LEU  31  56.032  30.713  -2.759
  246   HD23  LEU  31          HD23      LEU  31  56.946  30.783  -4.285
  247    H    ALA  32           HN       ALA  32  59.797  31.320  -1.634
  248    HA   ALA  32           HA       ALA  32  62.512  30.323  -1.187
  249    HB1  ALA  32           HB1      ALA  32  62.690  32.229   0.379
  250    HB2  ALA  32           HB2      ALA  32  62.083  32.739  -1.214
  251    HB3  ALA  32           HB3      ALA  32  60.959  32.567   0.153
  252    H    GLU  33           HN       GLU  33  63.368  29.554   0.743
  253    HA   GLU  33           HA       GLU  33  61.860  27.586   2.047
  254    HB2  GLU  33           HB1      GLU  33  64.359  27.748   2.046
  255    HB3  GLU  33           HB2      GLU  33  64.256  29.092   3.175
  256    HG2  GLU  33           HG1      GLU  33  63.192  27.621   4.836
  257    HG3  GLU  33           HG2      GLU  33  63.289  26.274   3.704
  258    H    GLY  34           HN       GLY  34  60.361  27.558   3.558
  259    HA2  GLY  34           HA1      GLY  34  59.514  28.320   5.723
  260    HA3  GLY  34           HA2      GLY  34  60.090  29.934   5.352
  261    H    THR  35           HN       THR  35  59.065  29.385   2.467
  262    HA   THR  35           HA       THR  35  56.380  30.475   2.955
  263    HB   THR  35           HB       THR  35  57.888  29.946   0.359
  264    HG1  THR  35           HG1      THR  35  58.830  31.629   1.479
  265   HG21  THR  35          HG21      THR  35  56.151  31.354  -0.676
  266   HG22  THR  35          HG22      THR  35  55.438  29.891   0.045
  267   HG23  THR  35          HG23      THR  35  55.298  31.455   0.882
  268    H    VAL  36           HN       VAL  36  54.542  29.403   2.910
  269    HA   VAL  36           HA       VAL  36  54.542  26.703   1.623
  270    HB   VAL  36           HB       VAL  36  52.988  27.618   4.082
  271   HG11  VAL  36          HG11      VAL  36  52.215  25.300   4.212
  272   HG12  VAL  36          HG12      VAL  36  51.677  26.099   2.716
  273   HG13  VAL  36          HG13      VAL  36  53.030  24.943   2.671
  274   HG21  VAL  36          HG21      VAL  36  54.373  25.938   5.258
  275   HG22  VAL  36          HG22      VAL  36  55.253  25.608   3.747
  276   HG23  VAL  36          HG23      VAL  36  55.384  27.205   4.523
  277    H    ARG  37           HN       ARG  37  53.170  26.450   0.006
  278    HA   ARG  37           HA       ARG  37  50.720  28.144  -0.057
  279    HB2  ARG  37           HB1      ARG  37  52.429  29.147  -1.556
  280    HB3  ARG  37           HB2      ARG  37  52.549  27.626  -2.427
  281    HG2  ARG  37           HG1      ARG  37  50.276  27.826  -3.218
  282    HG3  ARG  37           HG2      ARG  37  50.017  29.273  -2.213
  283    HD2  ARG  37           HD1      ARG  37  50.422  29.974  -4.436
  284    HD3  ARG  37           HD2      ARG  37  51.859  30.369  -3.466
  285    HE   ARG  37           HE       ARG  37  52.212  27.820  -4.643
  286   HH11  ARG  37          HH11      ARG  37  52.035  31.213  -5.537
  287   HH12  ARG  37          HH12      ARG  37  53.066  31.026  -6.938
  288   HH21  ARG  37          HH21      ARG  37  53.549  27.591  -6.464
  289   HH22  ARG  37          HH22      ARG  37  53.923  28.977  -7.463
  290    H    VAL  38           HN       VAL  38  48.991  26.909  -0.142
  291    HA   VAL  38           HA       VAL  38  49.205  24.085  -0.811
  292    HB   VAL  38           HB       VAL  38  46.776  25.825  -0.206
  293   HG11  VAL  38          HG11      VAL  38  45.603  23.717   0.202
  294   HG12  VAL  38          HG12      VAL  38  46.148  23.860  -1.486
  295   HG13  VAL  38          HG13      VAL  38  47.034  22.815  -0.350
  296   HG21  VAL  38          HG21      VAL  38  46.915  24.769   2.027
  297   HG22  VAL  38          HG22      VAL  38  48.388  23.906   1.526
  298   HG23  VAL  38          HG23      VAL  38  48.396  25.681   1.654
  299    H    LYS  39           HN       LYS  39  49.043  23.208  -2.746
  300    HA   LYS  39           HA       LYS  39  48.102  24.850  -5.003
  301    HB2  LYS  39           HB1      LYS  39  50.163  23.494  -5.231
  302    HB3  LYS  39           HB2      LYS  39  49.243  22.028  -4.922
  303    HG2  LYS  39           HG1      LYS  39  47.989  22.313  -6.982
  304    HG3  LYS  39           HG2      LYS  39  48.757  23.880  -7.272
  305    HD2  LYS  39           HD1      LYS  39  50.969  22.765  -7.403
  306    HD3  LYS  39           HD2      LYS  39  50.187  21.200  -7.136
  307    HE2  LYS  39           HE1      LYS  39  48.871  21.498  -9.204
  308    HE3  LYS  39           HE2      LYS  39  49.629  23.070  -9.469
  309    HZ1  LYS  39           HZ1      LYS  39  50.685  21.355 -10.747
  310    HZ2  LYS  39           HZ2      LYS  39  51.747  21.954  -9.637
  311    HZ3  LYS  39           HZ3      LYS  39  51.038  20.486  -9.391
  312    H    GLN  40           HN       GLN  40  47.181  21.884  -3.281
  313    HA   GLN  40           HA       GLN  40  44.458  22.209  -4.418
  314    HB2  GLN  40           HB1      GLN  40  45.650  20.505  -5.804
  315    HB3  GLN  40           HB2      GLN  40  45.952  19.557  -4.355
  316    HG2  GLN  40           HG1      GLN  40  43.603  19.157  -4.037
  317    HG3  GLN  40           HG2      GLN  40  43.196  20.273  -5.371
  318   HE21  GLN  40          HE21      GLN  40  42.990  16.778  -6.622
  319   HE22  GLN  40          HE22      GLN  40  42.222  17.692  -5.366
  320    H    GLU  41           HN       GLU  41  42.910  22.042  -2.956
  321    HA   GLU  41           HA       GLU  41  43.695  21.662  -0.183
  322    HB2  GLU  41           HB1      GLU  41  40.995  22.165  -1.494
  323    HB3  GLU  41           HB2      GLU  41  41.234  22.071   0.245
  324    HG2  GLU  41           HG1      GLU  41  42.771  23.990   0.140
  325    HG3  GLU  41           HG2      GLU  41  42.537  24.082  -1.604
  326    H    GLY  42           HN       GLY  42  43.232  20.041   1.207
  327    HA2  GLY  42           HA1      GLY  42  42.740  17.424  -0.004
  328    HA3  GLY  42           HA2      GLY  42  43.131  17.744   1.675
  329    H    LYS  43           HN       LYS  43  40.623  17.222  -0.645
  330    HA   LYS  43           HA       LYS  43  38.572  17.535   1.508
  331    HB2  LYS  43           HB1      LYS  43  38.249  17.955  -1.491
  332    HB3  LYS  43           HB2      LYS  43  36.936  17.995  -0.322
  333    HG2  LYS  43           HG1      LYS  43  38.000  19.931   0.798
  334    HG3  LYS  43           HG2      LYS  43  39.295  19.898  -0.407
  335    HD2  LYS  43           HD1      LYS  43  37.608  20.239  -2.204
  336    HD3  LYS  43           HD2      LYS  43  36.338  20.324  -0.975
  337    HE2  LYS  43           HE1      LYS  43  37.437  22.288   0.038
  338    HE3  LYS  43           HE2      LYS  43  38.727  22.197  -1.164
  339    HZ1  LYS  43           HZ1      LYS  43  37.076  23.811  -1.761
  340    HZ2  LYS  43           HZ2      LYS  43  37.085  22.590  -2.870
  341    HZ3  LYS  43           HZ3      LYS  43  35.881  22.675  -1.747
  342    H    LEU  44           HN       LEU  44  37.023  15.979   1.753
  343    HA   LEU  44           HA       LEU  44  37.713  13.336   0.737
  344    HB2  LEU  44           HB1      LEU  44  35.391  14.334   2.422
  345    HB3  LEU  44           HB2      LEU  44  35.675  12.636   2.028
  346    HG   LEU  44           HG       LEU  44  37.642  14.363   3.569
  347   HD11  LEU  44          HD11      LEU  44  36.803  13.198   5.560
  348   HD12  LEU  44          HD12      LEU  44  35.533  14.173   4.785
  349   HD13  LEU  44          HD13      LEU  44  35.554  12.406   4.571
  350   HD21  LEU  44          HD21      LEU  44  38.608  12.165   4.155
  351   HD22  LEU  44          HD22      LEU  44  37.384  11.357   3.145
  352   HD23  LEU  44          HD23      LEU  44  38.603  12.413   2.392
  353    H    GLY  45           HN       GLY  45  36.528  12.019  -0.624
  354    HA2  GLY  45           HA1      GLY  45  34.622  13.385  -2.433
  355    HA3  GLY  45           HA2      GLY  45  35.315  11.790  -2.662
  356    H    LYS  46           HN       LYS  46  33.041  11.241  -3.175
  357    HA   LYS  46           HA       LYS  46  31.799   9.984  -0.875
  358    HB2  LYS  46           HB1      LYS  46  30.912  12.278  -0.599
  359    HB3  LYS  46           HB2      LYS  46  30.307  12.255  -2.250
  360    HG2  LYS  46           HG1      LYS  46  28.774  10.412  -1.673
  361    HG3  LYS  46           HG2      LYS  46  29.386  10.427  -0.013
  362    HD2  LYS  46           HD1      LYS  46  28.193  12.886  -1.331
  363    HD3  LYS  46           HD2      LYS  46  27.213  11.708  -0.445
  364    HE2  LYS  46           HE1      LYS  46  28.772  12.058   1.533
  365    HE3  LYS  46           HE2      LYS  46  29.488  13.401   0.639
  366    HZ1  LYS  46           HZ1      LYS  46  27.781  14.145   2.129
  367    HZ2  LYS  46           HZ2      LYS  46  27.323  14.434   0.570
  368    HZ3  LYS  46           HZ3      LYS  46  26.654  13.180   1.407
  369    H    LYS  47           HN       LYS  47  31.089   8.100  -1.540
  370    HA   LYS  47           HA       LYS  47  30.236   7.811  -4.373
  371    HB2  LYS  47           HB1      LYS  47  31.885   6.180  -3.483
  372    HB3  LYS  47           HB2      LYS  47  30.742   5.700  -2.238
  373    HG2  LYS  47           HG1      LYS  47  29.189   4.877  -3.965
  374    HG3  LYS  47           HG2      LYS  47  30.329   5.372  -5.224
  375    HD2  LYS  47           HD1      LYS  47  32.028   3.835  -4.304
  376    HD3  LYS  47           HD2      LYS  47  30.906   3.353  -3.023
  377    HE2  LYS  47           HE1      LYS  47  29.325   2.508  -4.737
  378    HE3  LYS  47           HE2      LYS  47  30.461   2.970  -6.007
  379    HZ1  LYS  47           HZ1      LYS  47  30.649   0.657  -5.454
  380    HZ2  LYS  47           HZ2      LYS  47  32.049   1.438  -5.064
  381    HZ3  LYS  47           HZ3      LYS  47  30.988   1.006  -3.878
  382    H    VAL  48           HN       VAL  48  28.191   8.029  -4.860
  383    HA   VAL  48           HA       VAL  48  26.178   7.657  -2.703
  384    HB   VAL  48           HB       VAL  48  25.954   9.005  -5.429
  385   HG11  VAL  48          HG11      VAL  48  23.787   9.816  -4.633
  386   HG12  VAL  48          HG12      VAL  48  23.834   8.040  -4.743
  387   HG13  VAL  48          HG13      VAL  48  23.964   8.838  -3.157
  388   HG21  VAL  48          HG21      VAL  48  25.849  11.086  -4.094
  389   HG22  VAL  48          HG22      VAL  48  26.094  10.142  -2.606
  390   HG23  VAL  48          HG23      VAL  48  27.385  10.228  -3.828
  391    H    GLU  49           HN       GLU  49  24.829   5.994  -2.684
  392    HA   GLU  49           HA       GLU  49  24.181   4.658  -5.259
  393    HB2  GLU  49           HB1      GLU  49  25.980   3.324  -4.196
  394    HB3  GLU  49           HB2      GLU  49  25.029   3.201  -2.722
  395    HG2  GLU  49           HG1      GLU  49  23.326   1.909  -3.873
  396    HG3  GLU  49           HG2      GLU  49  24.160   2.120  -5.411
  397    H    ILE  50           HN       ILE  50  22.092   5.079  -5.453
  398    HA   ILE  50           HA       ILE  50  20.365   4.947  -3.047
  399    HB   ILE  50           HB       ILE  50  19.758   5.875  -5.887
  400   HG12  ILE  50          HG11      ILE  50  20.080   7.521  -3.372
  401   HG13  ILE  50          HG12      ILE  50  21.363   7.271  -4.545
  402   HG21  ILE  50          HG21      ILE  50  17.669   6.741  -4.916
  403   HG22  ILE  50          HG22      ILE  50  17.766   4.973  -4.749
  404   HG23  ILE  50          HG23      ILE  50  18.093   6.017  -3.347
  405   HD11  ILE  50          HD11      ILE  50  20.243   9.398  -4.911
  406   HD12  ILE  50          HD12      ILE  50  19.984   8.308  -6.294
  407   HD13  ILE  50          HD13      ILE  50  18.684   8.563  -5.106
  408    H    VAL  51           HN       VAL  51  19.207   3.229  -2.564
  409    HA   VAL  51           HA       VAL  51  18.769   1.209  -4.724
  410    HB   VAL  51           HB       VAL  51  19.431   0.706  -1.790
  411   HG11  VAL  51          HG11      VAL  51  19.484  -1.659  -2.415
  412   HG12  VAL  51          HG12      VAL  51  17.872  -0.944  -2.651
  413   HG13  VAL  51          HG13      VAL  51  18.929  -1.238  -4.053
  414   HG21  VAL  51          HG21      VAL  51  21.518  -0.266  -2.698
  415   HG22  VAL  51          HG22      VAL  51  21.021   0.205  -4.341
  416   HG23  VAL  51          HG23      VAL  51  21.371   1.455  -3.124
  417    H    ARG  52           HN       ARG  52  16.759   0.495  -4.996
  418    HA   ARG  52           HA       ARG  52  14.682   1.402  -3.095
  419    HB2  ARG  52           HB1      ARG  52  14.311   1.743  -5.509
  420    HB3  ARG  52           HB2      ARG  52  14.454   0.014  -5.788
  421    HG2  ARG  52           HG1      ARG  52  12.441  -0.380  -4.430
  422    HG3  ARG  52           HG2      ARG  52  12.295   1.373  -4.156
  423    HD2  ARG  52           HD1      ARG  52  12.318   0.074  -6.867
  424    HD3  ARG  52           HD2      ARG  52  10.848   0.482  -5.952
  425    HE   ARG  52           HE       ARG  52  12.306   2.822  -6.030
  426   HH11  ARG  52          HH11      ARG  52  11.004   0.593  -8.413
  427   HH12  ARG  52          HH12      ARG  52  10.774   1.830  -9.628
  428   HH21  ARG  52          HH21      ARG  52  12.002   4.419  -7.615
  429   HH22  ARG  52          HH22      ARG  52  11.339   3.996  -9.178
  430    H    ILE  53           HN       ILE  53  13.835   0.150  -1.591
  431    HA   ILE  53           HA       ILE  53  14.474  -2.752  -1.671
  432    HB   ILE  53           HB       ILE  53  13.499  -1.000   0.625
  433   HG12  ILE  53          HG11      ILE  53  16.216  -2.258   0.200
  434   HG13  ILE  53          HG12      ILE  53  15.835  -0.591  -0.203
  435   HG21  ILE  53          HG21      ILE  53  13.979  -2.964   2.029
  436   HG22  ILE  53          HG22      ILE  53  12.720  -3.330   0.827
  437   HG23  ILE  53          HG23      ILE  53  14.383  -3.909   0.576
  438   HD11  ILE  53          HD11      ILE  53  16.929  -0.741   1.963
  439   HD12  ILE  53          HD12      ILE  53  15.263  -0.141   2.144
  440   HD13  ILE  53          HD13      ILE  53  15.651  -1.829   2.553
  441    H    PHE  54           HN       PHE  54  12.998  -4.078  -2.425
  442    HA   PHE  54           HA       PHE  54  10.168  -3.197  -2.454
  443    HB2  PHE  54           HB1      PHE  54  11.149  -4.004  -4.570
  444    HB3  PHE  54           HB2      PHE  54  11.555  -5.539  -3.819
  445    HD1  PHE  54           HD1      PHE  54   8.440  -3.470  -3.690
  446    HD2  PHE  54           HD2      PHE  54  10.260  -7.176  -4.785
  447    HE1  PHE  54           HE1      PHE  54   6.226  -4.367  -4.326
  448    HE2  PHE  54           HE2      PHE  54   8.048  -8.076  -5.426
  449    HZ   PHE  54           HZ       PHE  54   6.030  -6.671  -5.194
  450    H    SER  55           HN       SER  55   8.821  -3.817  -0.936
  451    HA   SER  55           HA       SER  55   9.237  -6.513   0.286
  452    HB2  SER  55           HB1      SER  55   8.291  -3.975   1.660
  453    HB3  SER  55           HB2      SER  55   8.320  -5.570   2.396
  454    HG   SER  55           HG       SER  55  10.196  -3.887   2.433
  455    H    VAL  56           HN       VAL  56   7.449  -7.752   0.678
  456    HA   VAL  56           HA       VAL  56   4.850  -6.619  -0.272
  457    HB   VAL  56           HB       VAL  56   5.914  -9.450  -0.659
  458   HG11  VAL  56          HG11      VAL  56   3.857  -9.843  -1.926
  459   HG12  VAL  56          HG12      VAL  56   3.526  -9.459  -0.220
  460   HG13  VAL  56          HG13      VAL  56   3.272  -8.224  -1.477
  461   HG21  VAL  56          HG21      VAL  56   5.834  -8.864  -3.062
  462   HG22  VAL  56          HG22      VAL  56   5.314  -7.215  -2.641
  463   HG23  VAL  56          HG23      VAL  56   6.934  -7.785  -2.173
  464    H    ASN  57           HN       ASN  57   3.164  -6.815   1.058
  465    HA   ASN  57           HA       ASN  57   2.074  -7.122   3.063
  466    HB2  ASN  57           HB1      ASN  57   3.469  -9.816   2.928
  467    HB3  ASN  57           HB2      ASN  57   2.190  -9.406   4.063
  468   HD21  ASN  57          HD21      ASN  57   1.030 -11.063   0.805
  469   HD22  ASN  57          HD22      ASN  57   2.446 -11.349   1.761
  470    H    LYS  58           HN       LYS  58   4.425  -5.652   3.190
  471    HA   LYS  58           HA       LYS  58   6.027  -4.882   4.654
  472    HB2  LYS  58           HB1      LYS  58   4.296  -6.330   6.699
  473    HB3  LYS  58           HB2      LYS  58   5.548  -5.156   7.082
  474    HG2  LYS  58           HG1      LYS  58   4.280  -3.422   5.834
  475    HG3  LYS  58           HG2      LYS  58   3.006  -4.610   5.523
  476    HD2  LYS  58           HD1      LYS  58   2.599  -4.868   7.918
  477    HD3  LYS  58           HD2      LYS  58   3.955  -3.793   8.293
  478    HE2  LYS  58           HE1      LYS  58   1.929  -2.510   8.486
  479    HE3  LYS  58           HE2      LYS  58   2.771  -1.963   7.034
  480    HZ1  LYS  58           HZ1      LYS  58   0.440  -2.270   6.639
  481    HZ2  LYS  58           HZ2      LYS  58   1.303  -3.344   5.732
  482    HZ3  LYS  58           HZ3      LYS  58   0.515  -3.854   7.089
  483    H    GLU  59           HN       GLU  59   6.759  -7.152   3.271
  484    HA   GLU  59           HA       GLU  59   8.751  -8.197   5.198
  485    HB2  GLU  59           HB1      GLU  59   6.943  -9.899   5.120
  486    HB3  GLU  59           HB2      GLU  59   7.096  -9.987   3.371
  487    HG2  GLU  59           HG1      GLU  59   9.372 -10.843   3.582
  488    HG3  GLU  59           HG2      GLU  59   9.288 -10.688   5.335
  489    H    GLU  60           HN       GLU  60  10.729  -8.102   4.407
  490    HA   GLU  60           HA       GLU  60  11.198  -6.859   1.896
  491    HB2  GLU  60           HB1      GLU  60  12.749  -6.800   3.870
  492    HB3  GLU  60           HB2      GLU  60  13.158  -8.483   3.568
  493    HG2  GLU  60           HG1      GLU  60  14.105  -7.907   1.403
  494    HG3  GLU  60           HG2      GLU  60  13.608  -6.228   1.603
  495    H    VAL  61           HN       VAL  61  11.344  -7.580  -0.101
  496    HA   VAL  61           HA       VAL  61  11.497 -10.535  -0.495
  497    HB   VAL  61           HB       VAL  61  10.413  -8.352  -2.326
  498   HG11  VAL  61          HG11      VAL  61   9.682 -10.184  -3.773
  499   HG12  VAL  61          HG12      VAL  61  11.453 -10.127  -3.615
  500   HG13  VAL  61          HG13      VAL  61  10.518 -11.349  -2.720
  501   HG21  VAL  61          HG21      VAL  61   8.239  -9.451  -1.893
  502   HG22  VAL  61          HG22      VAL  61   9.037 -10.587  -0.779
  503   HG23  VAL  61          HG23      VAL  61   8.970  -8.853  -0.385
  504    H    SER  62           HN       SER  62  12.502  -7.463  -2.054
  505    HA   SER  62           HA       SER  62  15.170  -8.518  -2.567
  506    HB2  SER  62           HB1      SER  62  15.075  -8.553  -4.961
  507    HB3  SER  62           HB2      SER  62  13.783  -9.583  -4.364
  508    HG   SER  62           HG       SER  62  13.562  -6.904  -5.202
  509    H    ARG  63           HN       ARG  63  16.373  -6.940  -4.106
  510    HA   ARG  63           HA       ARG  63  15.399  -4.163  -3.640
  511    HB2  ARG  63           HB1      ARG  63  18.220  -5.146  -3.085
  512    HB3  ARG  63           HB2      ARG  63  17.676  -3.478  -2.985
  513    HG2  ARG  63           HG1      ARG  63  16.111  -4.129  -1.165
  514    HG3  ARG  63           HG2      ARG  63  16.783  -5.777  -1.230
  515    HD2  ARG  63           HD1      ARG  63  19.021  -4.795  -0.807
  516    HD3  ARG  63           HD2      ARG  63  18.222  -3.226  -0.552
  517    HE   ARG  63           HE       ARG  63  17.028  -5.261   1.065
  518   HH11  ARG  63          HH11      ARG  63  19.865  -3.205   0.814
  519   HH12  ARG  63          HH12      ARG  63  20.168  -3.200   2.537
  520   HH21  ARG  63          HH21      ARG  63  17.432  -5.247   3.300
  521   HH22  ARG  63          HH22      ARG  63  18.792  -4.355   3.945
  522    H    GLU  64           HN       GLU  64  16.258  -2.577  -5.051
  523    HA   GLU  64           HA       GLU  64  17.912  -3.540  -7.305
  524    HB2  GLU  64           HB1      GLU  64  15.556  -3.897  -8.021
  525    HB3  GLU  64           HB2      GLU  64  15.204  -2.204  -7.704
  526    HG2  GLU  64           HG1      GLU  64  16.785  -1.524  -9.441
  527    HG3  GLU  64           HG2      GLU  64  17.208  -3.209  -9.736
  528    H    ILE  65           HN       ILE  65  19.321  -2.074  -8.011
  529    HA   ILE  65           HA       ILE  65  19.603   0.365  -6.487
  530    HB   ILE  65           HB       ILE  65  21.092  -0.671  -8.936
  531   HG12  ILE  65          HG11      ILE  65  21.941  -0.588  -6.034
  532   HG13  ILE  65          HG12      ILE  65  21.243  -1.999  -6.813
  533   HG21  ILE  65          HG21      ILE  65  22.784   1.032  -8.390
  534   HG22  ILE  65          HG22      ILE  65  21.226   1.787  -8.798
  535   HG23  ILE  65          HG23      ILE  65  21.737   1.665  -7.098
  536   HD11  ILE  65          HD11      ILE  65  23.668  -2.147  -6.740
  537   HD12  ILE  65          HD12      ILE  65  23.098  -2.044  -8.423
  538   HD13  ILE  65          HD13      ILE  65  23.806  -0.615  -7.633
  539    H    VAL  66           HN       VAL  66  18.741   2.276  -6.827
  540    HA   VAL  66           HA       VAL  66  17.156   2.755  -9.229
  541    HB   VAL  66           HB       VAL  66  17.820   4.527  -6.840
  542   HG11  VAL  66          HG11      VAL  66  16.007   5.973  -7.621
  543   HG12  VAL  66          HG12      VAL  66  17.345   5.891  -8.791
  544   HG13  VAL  66          HG13      VAL  66  15.846   4.978  -9.087
  545   HG21  VAL  66          HG21      VAL  66  15.489   4.019  -6.183
  546   HG22  VAL  66          HG22      VAL  66  15.321   2.961  -7.604
  547   HG23  VAL  66          HG23      VAL  66  16.462   2.534  -6.307
  548    H    SER  67           HN       SER  67  20.050   4.240  -7.730
  549    HA   SER  67           HA       SER  67  21.195   4.940 -10.279
  550    HB2  SER  67           HB1      SER  67  19.402   6.616 -10.252
  551    HB3  SER  67           HB2      SER  67  19.915   7.171  -8.666
  552    HG   SER  67           HG       SER  67  21.918   7.689  -9.582
  553    H    THR  68           HN       THR  68  23.300   5.578 -10.114
  554    HA   THR  68           HA       THR  68  24.329   5.994  -7.339
  555    HB   THR  68           HB       THR  68  26.361   4.752  -7.936
  556    HG1  THR  68           HG1      THR  68  26.782   4.474  -9.981
  557   HG21  THR  68          HG21      THR  68  25.394   2.495  -8.128
  558   HG22  THR  68          HG22      THR  68  24.464   3.489  -6.982
  559   HG23  THR  68          HG23      THR  68  23.837   3.199  -8.621
  560    H    SER  69           HN       SER  69  26.362   7.155  -7.197
  561    HA   SER  69           HA       SER  69  27.334   8.578  -9.542
  562    HB2  SER  69           HB1      SER  69  25.370   9.947  -9.033
  563    HB3  SER  69           HB2      SER  69  25.879  10.104  -7.358
  564    HG   SER  69           HG       SER  69  27.880  10.757  -8.981
  565    H    THR  70           HN       THR  70  29.444   8.640  -9.312
  566    HA   THR  70           HA       THR  70  30.551   8.488  -6.554
  567    HB   THR  70           HB       THR  70  31.838   7.829  -9.239
  568    HG1  THR  70           HG1      THR  70  31.682   5.681  -8.376
  569   HG21  THR  70          HG21      THR  70  33.676   6.916  -7.875
  570   HG22  THR  70          HG22      THR  70  33.476   8.661  -7.586
  571   HG23  THR  70          HG23      THR  70  32.868   7.486  -6.396
  572    H    THR  71           HN       THR  71  31.206  10.309  -5.681
  573    HA   THR  71           HA       THR  71  32.344  12.423  -7.427
  574    HB   THR  71           HB       THR  71  31.631  12.451  -4.463
  575    HG1  THR  71           HG1      THR  71  29.764  12.574  -5.606
  576   HG21  THR  71          HG21      THR  71  32.053  14.874  -4.610
  577   HG22  THR  71          HG22      THR  71  33.528  13.948  -4.976
  578   HG23  THR  71          HG23      THR  71  32.588  14.683  -6.295
  579    H    ALA  72           HN       ALA  72  34.428  12.504  -7.787
  580    HA   ALA  72           HA       ALA  72  36.254  10.761  -6.410
  581    HB1  ALA  72           HB1      ALA  72  37.987  11.867  -7.786
  582    HB2  ALA  72           HB2      ALA  72  36.577  11.388  -8.761
  583    HB3  ALA  72           HB3      ALA  72  36.796  13.089  -8.288
  584    HA   PRO  73           HA       PRO  73  37.433  13.368  -3.108
  585    HB2  PRO  73           HB1      PRO  73  39.742  12.133  -2.329
  586    HB3  PRO  73           HB2      PRO  73  38.160  11.380  -2.086
  587    HG2  PRO  73           HG1      PRO  73  40.172  10.918  -4.330
  588    HG3  PRO  73           HG2      PRO  73  39.328   9.713  -3.354
  589    HD2  PRO  73           HD1      PRO  73  38.429  10.441  -5.832
  590    HD3  PRO  73           HD2      PRO  73  37.292   9.986  -4.500
  591    H    SER  74           HN       SER  74  39.335  14.726  -2.409
  592    HA   SER  74           HA       SER  74  40.969  15.554  -4.773
  593    HB2  SER  74           HB1      SER  74  39.246  17.218  -4.256
  594    HB3  SER  74           HB2      SER  74  39.769  17.277  -2.580
  595    HG   SER  74           HG       SER  74  41.369  18.460  -3.100
  596    HA   PRO  75           HA       PRO  75  44.069  14.160  -1.783
  597    HB2  PRO  75           HB1      PRO  75  45.661  14.678  -4.320
  598    HB3  PRO  75           HB2      PRO  75  45.783  13.325  -3.187
  599    HG2  PRO  75           HG1      PRO  75  44.512  12.928  -5.491
  600    HG3  PRO  75           HG2      PRO  75  43.811  12.274  -4.008
  601    HD2  PRO  75           HD1      PRO  75  43.065  14.806  -5.527
  602    HD3  PRO  75           HD2      PRO  75  41.982  13.562  -4.783
  603    H    ARG  76           HN       ARG  76  45.577  15.375  -0.651
  604    HA   ARG  76           HA       ARG  76  45.422  18.276  -1.135
  605    HB2  ARG  76           HB1      ARG  76  45.071  17.337   1.140
  606    HB3  ARG  76           HB2      ARG  76  46.717  16.722   1.133
  607    HG2  ARG  76           HG1      ARG  76  47.572  19.035   0.970
  608    HG3  ARG  76           HG2      ARG  76  45.897  19.636   1.033
  609    HD2  ARG  76           HD1      ARG  76  45.624  18.520   3.204
  610    HD3  ARG  76           HD2      ARG  76  47.339  18.050   3.144
  611    HE   ARG  76           HE       ARG  76  46.901  20.892   2.793
  612   HH11  ARG  76          HH11      ARG  76  47.301  18.303   5.134
  613   HH12  ARG  76          HH12      ARG  76  47.873  19.366   6.400
  614   HH21  ARG  76          HH21      ARG  76  47.644  22.262   4.444
  615   HH22  ARG  76          HH22      ARG  76  48.068  21.607   6.011
  616    H    ILE  77           HN       ILE  77  46.918  19.416  -2.134
  617    HA   ILE  77           HA       ILE  77  49.692  18.305  -2.229
  618    HB   ILE  77           HB       ILE  77  48.249  19.929  -4.368
  619   HG12  ILE  77          HG11      ILE  77  49.212  17.061  -4.440
  620   HG13  ILE  77          HG12      ILE  77  47.547  17.545  -4.160
  621   HG21  ILE  77          HG21      ILE  77  50.295  19.572  -5.692
  622   HG22  ILE  77          HG22      ILE  77  50.644  20.493  -4.210
  623   HG23  ILE  77          HG23      ILE  77  51.058  18.765  -4.302
  624   HD11  ILE  77          HD11      ILE  77  47.897  16.906  -6.480
  625   HD12  ILE  77          HD12      ILE  77  47.480  18.633  -6.362
  626   HD13  ILE  77          HD13      ILE  77  49.167  18.141  -6.646
  627    H    VAL  78           HN       VAL  78  51.111  19.463  -1.159
  628    HA   VAL  78           HA       VAL  78  50.564  22.384  -0.826
  629    HB   VAL  78           HB       VAL  78  51.988  20.471   1.074
  630   HG11  VAL  78          HG11      VAL  78  52.097  22.378   2.603
  631   HG12  VAL  78          HG12      VAL  78  53.012  22.672   1.106
  632   HG13  VAL  78          HG13      VAL  78  51.418  23.430   1.338
  633   HG21  VAL  78          HG21      VAL  78  50.070  20.947   2.563
  634   HG22  VAL  78          HG22      VAL  78  49.333  21.950   1.291
  635   HG23  VAL  78          HG23      VAL  78  49.532  20.199   1.041
  636    H    GLU  79           HN       GLU  79  52.072  23.787  -1.454
  637    HA   GLU  79           HA       GLU  79  54.625  22.685  -2.494
  638    HB2  GLU  79           HB1      GLU  79  53.357  25.436  -2.822
  639    HB3  GLU  79           HB2      GLU  79  54.870  24.927  -3.559
  640    HG2  GLU  79           HG1      GLU  79  53.691  23.211  -4.845
  641    HG3  GLU  79           HG2      GLU  79  52.170  23.663  -4.078
  642    H    LYS  80           HN       LYS  80  56.333  22.682  -1.240
  643    HA   LYS  80           HA       LYS  80  56.520  24.735   0.911
  644    HB2  LYS  80           HB1      LYS  80  56.656  22.356   1.616
  645    HB3  LYS  80           HB2      LYS  80  58.040  22.120   0.559
  646    HG2  LYS  80           HG1      LYS  80  59.352  23.719   1.879
  647    HG3  LYS  80           HG2      LYS  80  57.955  24.018   2.922
  648    HD2  LYS  80           HD1      LYS  80  57.945  21.647   3.607
  649    HD3  LYS  80           HD2      LYS  80  59.325  21.329   2.545
  650    HE2  LYS  80           HE1      LYS  80  60.693  22.931   3.841
  651    HE3  LYS  80           HE2      LYS  80  59.318  23.252   4.901
  652    HZ1  LYS  80           HZ1      LYS  80  60.814  21.658   5.854
  653    HZ2  LYS  80           HZ2      LYS  80  59.358  20.943   5.554
  654    HZ3  LYS  80           HZ3      LYS  80  60.643  20.644   4.565
  655    H    GLY  81           HN       GLY  81  58.018  26.262   0.923
  656    HA2  GLY  81           HA1      GLY  81  59.578  26.717  -1.478
  657    HA3  GLY  81           HA2      GLY  81  59.580  27.707  -0.031
  658    H    THR  82           HN       THR  82  61.940  27.285  -1.326
  659    HA   THR  82           HA       THR  82  63.501  25.738   0.609
  660    HB   THR  82           HB       THR  82  62.764  23.987  -1.031
  661    HG1  THR  82           HG1      THR  82  64.760  23.117  -1.046
  662   HG21  THR  82          HG21      THR  82  63.703  24.050  -3.308
  663   HG22  THR  82          HG22      THR  82  62.621  25.435  -3.028
  664   HG23  THR  82          HG23      THR  82  64.384  25.662  -2.988
  665    H    LYS  83           HN       LYS  83  65.883  25.535  -0.640
  666    HA   LYS  83           HA       LYS  83  66.474  28.353  -1.444
  667    HB2  LYS  83           HB1      LYS  83  68.249  26.296  -0.069
  668    HB3  LYS  83           HB2      LYS  83  68.806  27.862  -0.643
  669    HG2  LYS  83           HG1      LYS  83  66.629  27.482   1.433
  670    HG3  LYS  83           HG2      LYS  83  68.334  27.785   1.796
  671    HD2  LYS  83           HD1      LYS  83  68.163  29.904   0.423
  672    HD3  LYS  83           HD2      LYS  83  66.419  29.619   0.314
  673    HE2  LYS  83           HE1      LYS  83  66.244  29.677   2.773
  674    HE3  LYS  83           HE2      LYS  83  67.987  29.928   2.901
  675    HZ1  LYS  83           HZ1      LYS  83  66.785  31.981   3.073
  676    HZ2  LYS  83           HZ2      LYS  83  67.718  31.995   1.713
  677    HZ3  LYS  83           HZ3      LYS  83  66.090  31.762   1.594
  678    H    LYS  84           HN       LYS  84  66.326  25.145  -2.513
  679    HA   LYS  84           HA       LYS  84  68.485  25.027  -4.347
  680    HB2  LYS  84           HB1      LYS  84  65.702  23.803  -4.494
  681    HB3  LYS  84           HB2      LYS  84  67.011  23.401  -5.597
  682    HG2  LYS  84           HG1      LYS  84  68.357  22.560  -3.714
  683    HG3  LYS  84           HG2      LYS  84  67.054  22.982  -2.593
  684    HD2  LYS  84           HD1      LYS  84  65.527  21.450  -3.843
  685    HD3  LYS  84           HD2      LYS  84  66.883  20.986  -4.882
  686    HE2  LYS  84           HE1      LYS  84  68.097  20.070  -2.988
  687    HE3  LYS  84           HE2      LYS  84  66.882  20.676  -1.859
  688    HZ1  LYS  84           HZ1      LYS  84  66.579  18.356  -2.319
  689    HZ2  LYS  84           HZ2      LYS  84  65.283  19.208  -2.881
  690    HZ3  LYS  84           HZ3      LYS  84  66.418  18.641  -3.935
  Start of MODEL    8
    1    H1   GLY   1          1HN       GLY   1  -0.334  -0.943  -0.000
    2    H2   GLY   1          2HN       GLY   1  -0.334   0.471   0.816
    3    H3   GLY   1          3HN       GLY   1  -0.334   0.471  -0.816
    4    HA2  GLY   1           HA1      GLY   1   1.822  -0.535   0.877
    5    HA3  GLY   1           HA2      GLY   1   1.822  -0.535  -0.876
    6    H    SER   2           HN       SER   2   2.129   1.387   2.019
    7    HA   SER   2           HA       SER   2   2.470   3.899   0.523
    8    HB2  SER   2           HB1      SER   2   1.370   3.964   2.700
    9    HB3  SER   2           HB2      SER   2   2.763   3.216   3.465
   10    HG   SER   2           HG       SER   2   2.930   5.351   3.765
   11    H    HIS   3           HN       HIS   3   4.259   3.775  -0.736
   12    HA   HIS   3           HA       HIS   3   6.779   2.718   0.379
   13    HB2  HIS   3           HB1      HIS   3   6.126   3.900  -2.346
   14    HB3  HIS   3           HB2      HIS   3   7.674   3.203  -1.891
   15    HD2  HIS   3           HD2      HIS   3   4.418   2.095  -3.466
   16    HE1  HIS   3           HE1      HIS   3   6.297  -1.448  -2.024
   17    HE2  HIS   3           HE2      HIS   3   4.437  -0.508  -3.493
   18    H    ASN   4           HN       ASN   4   6.646   4.468   2.086
   19    HA   ASN   4           HA       ASN   4   7.995   6.920   1.041
   20    HB2  ASN   4           HB1      ASN   4   5.804   6.729   3.129
   21    HB3  ASN   4           HB2      ASN   4   6.810   8.154   2.910
   22   HD21  ASN   4          HD21      ASN   4   3.656   7.466   0.522
   23   HD22  ASN   4          HD22      ASN   4   4.057   6.474   1.883
   24    H    LYS   5           HN       LYS   5   8.591   8.204   3.325
   25    HA   LYS   5           HA       LYS   5  10.893   6.864   4.270
   26    HB2  LYS   5           HB1      LYS   5  10.532   9.317   4.431
   27    HB3  LYS   5           HB2      LYS   5   9.287   9.056   5.645
   28    HG2  LYS   5           HG1      LYS   5  10.944   8.104   7.180
   29    HG3  LYS   5           HG2      LYS   5  12.206   8.294   5.954
   30    HD2  LYS   5           HD1      LYS   5  11.848  10.740   5.957
   31    HD3  LYS   5           HD2      LYS   5  10.579  10.554   7.177
   32    HE2  LYS   5           HE1      LYS   5  12.230   9.586   8.745
   33    HE3  LYS   5           HE2      LYS   5  13.497   9.771   7.530
   34    HZ1  LYS   5           HZ1      LYS   5  13.506  11.571   9.094
   35    HZ2  LYS   5           HZ2      LYS   5  13.130  12.142   7.593
   36    HZ3  LYS   5           HZ3      LYS   5  11.948  11.969   8.730
   37    HA   PRO   6           HA       PRO   6   9.387   3.739   6.928
   38    HB2  PRO   6           HB1      PRO   6  11.974   4.463   8.373
   39    HB3  PRO   6           HB2      PRO   6  11.331   2.861   7.992
   40    HG2  PRO   6           HG1      PRO   6  13.261   3.831   6.447
   41    HG3  PRO   6           HG2      PRO   6  11.884   3.034   5.679
   42    HD2  PRO   6           HD1      PRO   6  12.458   6.004   5.986
   43    HD3  PRO   6           HD2      PRO   6  11.775   5.112   4.567
   44    H    GLU   7           HN       GLU   7   7.787   4.210   8.311
   45    HA   GLU   7           HA       GLU   7   8.395   5.879  10.684
   46    HB2  GLU   7           HB1      GLU   7   7.391   7.412   8.999
   47    HB3  GLU   7           HB2      GLU   7   5.993   6.354   8.871
   48    HG2  GLU   7           HG1      GLU   7   5.449   6.770  11.230
   49    HG3  GLU   7           HG2      GLU   7   6.861   7.816  11.374
   50    H    LEU   8           HN       LEU   8   8.056   4.533  12.300
   51    HA   LEU   8           HA       LEU   8   5.826   2.581  12.094
   52    HB2  LEU   8           HB1      LEU   8   8.322   2.773  13.778
   53    HB3  LEU   8           HB2      LEU   8   6.975   1.755  14.296
   54    HG   LEU   8           HG       LEU   8   7.159   0.574  12.044
   55   HD11  LEU   8          HD11      LEU   8   9.303   0.806  10.871
   56   HD12  LEU   8          HD12      LEU   8   8.385   2.330  10.870
   57   HD13  LEU   8          HD13      LEU   8   9.765   2.122  11.975
   58   HD21  LEU   8          HD21      LEU   8   9.084  -0.777  12.807
   59   HD22  LEU   8          HD22      LEU   8   9.543   0.517  13.940
   60   HD23  LEU   8          HD23      LEU   8   8.013  -0.362  14.167
   61    H    LEU   9           HN       LEU   9   3.942   3.195  12.874
   62    HA   LEU   9           HA       LEU   9   3.937   4.981  15.270
   63    HB2  LEU   9           HB1      LEU   9   1.835   4.703  13.092
   64    HB3  LEU   9           HB2      LEU   9   1.740   5.780  14.489
   65    HG   LEU   9           HG       LEU   9   3.804   5.979  12.267
   66   HD11  LEU   9          HD11      LEU   9   2.525   7.960  11.586
   67   HD12  LEU   9          HD12      LEU   9   1.545   6.479  11.485
   68   HD13  LEU   9          HD13      LEU   9   1.313   7.609  12.840
   69   HD21  LEU   9          HD21      LEU   9   4.317   8.149  13.333
   70   HD22  LEU   9          HD22      LEU   9   3.130   7.801  14.613
   71   HD23  LEU   9          HD23      LEU   9   4.594   6.800  14.461
   72    H    TYR  10           HN       TYR  10   2.556   4.562  16.959
   73    HA   TYR  10           HA       TYR  10   0.961   2.046  16.769
   74    HB2  TYR  10           HB1      TYR  10   2.690   2.941  19.111
   75    HB3  TYR  10           HB2      TYR  10   1.555   1.599  19.163
   76    HD1  TYR  10           HD1      TYR  10   4.765   2.795  17.837
   77    HD2  TYR  10           HD2      TYR  10   2.020  -0.496  18.040
   78    HE1  TYR  10           HE1      TYR  10   6.523   1.276  16.992
   79    HE2  TYR  10           HE2      TYR  10   3.778  -2.015  17.196
   80    HH   TYR  10           HH       TYR  10   5.875  -2.199  16.508
   81    H    ARG  11           HN       ARG  11  -1.022   2.048  17.662
   82    HA   ARG  11           HA       ARG  11  -1.848   4.488  19.155
   83    HB2  ARG  11           HB1      ARG  11  -3.310   3.301  16.771
   84    HB3  ARG  11           HB2      ARG  11  -3.952   4.555  17.821
   85    HG2  ARG  11           HG1      ARG  11  -1.409   4.863  16.210
   86    HG3  ARG  11           HG2      ARG  11  -3.023   5.373  15.657
   87    HD2  ARG  11           HD1      ARG  11  -3.204   6.815  17.632
   88    HD3  ARG  11           HD2      ARG  11  -1.547   6.355  18.088
   89    HE   ARG  11           HE       ARG  11  -2.372   8.125  15.910
   90   HH11  ARG  11          HH11      ARG  11   0.215   6.277  17.406
   91   HH12  ARG  11          HH12      ARG  11   1.487   7.199  16.637
   92   HH21  ARG  11          HH21      ARG  11  -0.711   9.314  14.918
   93   HH22  ARG  11          HH22      ARG  11   0.964   8.918  15.229
   94    H    GLU  12           HN       GLU  12  -3.534   4.222  20.597
   95    HA   GLU  12           HA       GLU  12  -4.034   1.426  21.386
   96    HB2  GLU  12           HB1      GLU  12  -3.446   3.120  23.104
   97    HB3  GLU  12           HB2      GLU  12  -4.880   4.047  22.687
   98    HG2  GLU  12           HG1      GLU  12  -6.304   2.170  23.400
   99    HG3  GLU  12           HG2      GLU  12  -4.867   1.241  23.818
  100    H    GLU  13           HN       GLU  13  -5.833   0.318  21.053
  101    HA   GLU  13           HA       GLU  13  -8.258   1.818  20.175
  102    HB2  GLU  13           HB1      GLU  13  -7.194   0.868  18.173
  103    HB3  GLU  13           HB2      GLU  13  -7.130  -0.720  18.925
  104    HG2  GLU  13           HG1      GLU  13  -8.937  -0.646  17.347
  105    HG3  GLU  13           HG2      GLU  13  -9.592  -0.794  18.976
  106    H    THR  14           HN       THR  14  -9.364   1.622  22.059
  107    HA   THR  14           HA       THR  14  -9.758  -1.095  23.174
  108    HB   THR  14           HB       THR  14 -10.685   1.635  24.165
  109    HG1  THR  14           HG1      THR  14  -8.790   1.631  25.084
  110   HG21  THR  14          HG21      THR  14 -11.335   0.431  26.213
  111   HG22  THR  14          HG22      THR  14 -12.254  -0.162  24.809
  112   HG23  THR  14          HG23      THR  14 -10.895  -1.114  25.450
  113    H    ILE  15           HN       ILE  15 -11.332  -2.333  22.491
  114    HA   ILE  15           HA       ILE  15 -13.750  -1.015  21.333
  115    HB   ILE  15           HB       ILE  15 -12.576  -3.772  20.774
  116   HG12  ILE  15          HG11      ILE  15 -12.869  -1.400  18.922
  117   HG13  ILE  15          HG12      ILE  15 -11.393  -1.779  19.795
  118   HG21  ILE  15          HG21      ILE  15 -14.364  -3.959  19.092
  119   HG22  ILE  15          HG22      ILE  15 -15.040  -3.801  20.730
  120   HG23  ILE  15          HG23      ILE  15 -15.038  -2.402  19.630
  121   HD11  ILE  15          HD11      ILE  15 -11.300  -2.613  17.514
  122   HD12  ILE  15          HD12      ILE  15 -11.275  -3.963  18.675
  123   HD13  ILE  15          HD13      ILE  15 -12.769  -3.578  17.788
  124    H    GLU  16           HN       GLU  16 -15.620  -1.229  22.330
  125    HA   GLU  16           HA       GLU  16 -15.949  -3.535  24.201
  126    HB2  GLU  16           HB1      GLU  16 -16.864  -0.658  24.588
  127    HB3  GLU  16           HB2      GLU  16 -17.395  -2.000  25.591
  128    HG2  GLU  16           HG1      GLU  16 -15.045  -2.410  26.256
  129    HG3  GLU  16           HG2      GLU  16 -14.547  -1.025  25.287
  130    H    THR  17           HN       THR  17 -17.369  -4.879  23.367
  131    HA   THR  17           HA       THR  17 -19.646  -3.769  21.806
  132    HB   THR  17           HB       THR  17 -18.617  -6.629  22.060
  133    HG1  THR  17           HG1      THR  17 -18.530  -4.721  19.933
  134   HG21  THR  17          HG21      THR  17 -20.224  -7.131  20.262
  135   HG22  THR  17          HG22      THR  17 -21.062  -6.545  21.718
  136   HG23  THR  17          HG23      THR  17 -20.828  -5.460  20.328
  137    H    LYS  18           HN       LYS  18 -21.507  -3.456  22.772
  138    HA   LYS  18           HA       LYS  18 -21.876  -4.215  25.517
  139    HB2  LYS  18           HB1      LYS  18 -23.801  -3.064  23.461
  140    HB3  LYS  18           HB2      LYS  18 -24.208  -3.294  25.156
  141    HG2  LYS  18           HG1      LYS  18 -22.382  -1.756  25.802
  142    HG3  LYS  18           HG2      LYS  18 -21.997  -1.513  24.092
  143    HD2  LYS  18           HD1      LYS  18 -24.285  -0.639  23.706
  144    HD3  LYS  18           HD2      LYS  18 -24.655  -0.866  25.422
  145    HE2  LYS  18           HE1      LYS  18 -22.872   0.719  26.032
  146    HE3  LYS  18           HE2      LYS  18 -22.454   0.926  24.329
  147    HZ1  LYS  18           HZ1      LYS  18 -23.860   2.686  25.113
  148    HZ2  LYS  18           HZ2      LYS  18 -24.652   1.814  23.958
  149    HZ3  LYS  18           HZ3      LYS  18 -25.042   1.622  25.549
  150    H    ILE  19           HN       ILE  19 -23.221  -5.672  26.491
  151    HA   ILE  19           HA       ILE  19 -24.216  -7.837  24.688
  152    HB   ILE  19           HB       ILE  19 -23.286  -8.017  27.586
  153   HG12  ILE  19          HG11      ILE  19 -22.027  -9.166  25.087
  154   HG13  ILE  19          HG12      ILE  19 -21.499  -7.683  25.867
  155   HG21  ILE  19          HG21      ILE  19 -23.592 -10.442  27.295
  156   HG22  ILE  19          HG22      ILE  19 -25.132  -9.575  27.092
  157   HG23  ILE  19          HG23      ILE  19 -24.250 -10.167  25.665
  158   HD11  ILE  19          HD11      ILE  19 -20.101  -9.563  26.520
  159   HD12  ILE  19          HD12      ILE  19 -20.994  -8.929  27.924
  160   HD13  ILE  19          HD13      ILE  19 -21.527 -10.432  27.133
  161    H    ASP  20           HN       ASP  20 -26.321  -8.025  24.515
  162    HA   ASP  20           HA       ASP  20 -28.139  -6.535  26.177
  163    HB2  ASP  20           HB1      ASP  20 -28.566  -8.746  24.134
  164    HB3  ASP  20           HB2      ASP  20 -29.892  -7.946  24.967
  165    H    PHE  21           HN       PHE  21 -29.810  -7.341  27.536
  166    HA   PHE  21           HA       PHE  21 -29.165  -9.982  28.777
  167    HB2  PHE  21           HB1      PHE  21 -29.682  -9.061  30.972
  168    HB3  PHE  21           HB2      PHE  21 -28.401  -8.117  30.228
  169    HD1  PHE  21           HD1      PHE  21 -31.946  -8.141  31.204
  170    HD2  PHE  21           HD2      PHE  21 -28.738  -5.821  29.598
  171    HE1  PHE  21           HE1      PHE  21 -33.260  -6.078  31.562
  172    HE2  PHE  21           HE2      PHE  21 -30.048  -3.756  29.957
  173    HZ   PHE  21           HZ       PHE  21 -32.311  -3.885  30.938
  174    H    GLN  22           HN       GLN  22 -30.970 -10.925  30.009
  175    HA   GLN  22           HA       GLN  22 -33.476 -10.504  28.467
  176    HB2  GLN  22           HB1      GLN  22 -32.613 -12.828  30.238
  177    HB3  GLN  22           HB2      GLN  22 -34.112 -12.748  29.322
  178    HG2  GLN  22           HG1      GLN  22 -31.337 -12.700  28.116
  179    HG3  GLN  22           HG2      GLN  22 -32.405 -14.128  28.231
  180   HE21  GLN  22          HE21      GLN  22 -32.609 -11.844  25.018
  181   HE22  GLN  22          HE22      GLN  22 -31.262 -11.984  26.098
  182    H    GLU  23           HN       GLU  23 -35.534 -10.629  29.543
  183    HA   GLU  23           HA       GLU  23 -35.393  -9.664  32.370
  184    HB2  GLU  23           HB1      GLU  23 -36.028  -7.843  30.813
  185    HB3  GLU  23           HB2      GLU  23 -37.351  -8.821  30.195
  186    HG2  GLU  23           HG1      GLU  23 -38.434  -8.787  32.387
  187    HG3  GLU  23           HG2      GLU  23 -37.088  -7.865  33.053
  188    H    GLU  24           HN       GLU  24 -36.693 -10.578  33.840
  189    HA   GLU  24           HA       GLU  24 -38.860 -12.375  32.921
  190    HB2  GLU  24           HB1      GLU  24 -36.848 -13.814  33.062
  191    HB3  GLU  24           HB2      GLU  24 -36.577 -13.291  34.718
  192    HG2  GLU  24           HG1      GLU  24 -38.678 -14.322  35.418
  193    HG3  GLU  24           HG2      GLU  24 -39.021 -14.792  33.755
  194    H    ILE  25           HN       ILE  25 -40.593 -12.312  34.184
  195    HA   ILE  25           HA       ILE  25 -40.282 -11.048  36.872
  196    HB   ILE  25           HB       ILE  25 -42.719 -11.166  35.044
  197   HG12  ILE  25          HG11      ILE  25 -41.089  -8.780  35.940
  198   HG13  ILE  25          HG12      ILE  25 -40.884  -9.590  34.394
  199   HG21  ILE  25          HG21      ILE  25 -43.797  -9.750  36.745
  200   HG22  ILE  25          HG22      ILE  25 -43.347 -11.333  37.422
  201   HG23  ILE  25          HG23      ILE  25 -42.360  -9.897  37.784
  202   HD11  ILE  25          HD11      ILE  25 -42.269  -7.605  34.167
  203   HD12  ILE  25          HD12      ILE  25 -43.210  -9.070  33.798
  204   HD13  ILE  25          HD13      ILE  25 -43.418  -8.248  35.363
  205    H    GLN  26           HN       GLN  26 -40.636 -12.226  38.610
  206    HA   GLN  26           HA       GLN  26 -42.083 -14.817  38.252
  207    HB2  GLN  26           HB1      GLN  26 -39.715 -14.207  40.067
  208    HB3  GLN  26           HB2      GLN  26 -40.606 -15.722  40.050
  209    HG2  GLN  26           HG1      GLN  26 -39.938 -16.098  37.715
  210    HG3  GLN  26           HG2      GLN  26 -39.017 -14.568  37.749
  211   HE21  GLN  26          HE21      GLN  26 -36.707 -17.428  38.373
  212   HE22  GLN  26          HE22      GLN  26 -37.807 -16.992  37.108
  213    H    GLU  27           HN       GLU  27 -43.296 -15.608  40.009
  214    HA   GLU  27           HA       GLU  27 -44.538 -13.403  41.519
  215    HB2  GLU  27           HB1      GLU  27 -45.270 -16.340  41.200
  216    HB3  GLU  27           HB2      GLU  27 -46.186 -15.203  42.179
  217    HG2  GLU  27           HG1      GLU  27 -46.670 -13.851  40.198
  218    HG3  GLU  27           HG2      GLU  27 -45.703 -14.938  39.203
  219    H    ASN  28           HN       ASN  28 -44.806 -13.339  43.745
  220    HA   ASN  28           HA       ASN  28 -43.195 -15.253  45.342
  221    HB2  ASN  28           HB1      ASN  28 -41.753 -13.278  44.781
  222    HB3  ASN  28           HB2      ASN  28 -42.916 -12.241  45.596
  223   HD21  ASN  28          HD21      ASN  28 -40.287 -12.930  48.032
  224   HD22  ASN  28          HD22      ASN  28 -40.467 -12.094  46.526
  225    HA   PRO  29           HA       PRO  29 -47.089 -14.788  47.338
  226    HB2  PRO  29           HB1      PRO  29 -46.932 -17.062  48.883
  227    HB3  PRO  29           HB2      PRO  29 -47.296 -17.110  47.153
  228    HG2  PRO  29           HG1      PRO  29 -44.616 -17.505  48.552
  229    HG3  PRO  29           HG2      PRO  29 -45.355 -18.511  47.303
  230    HD2  PRO  29           HD1      PRO  29 -43.483 -16.653  46.663
  231    HD3  PRO  29           HD2      PRO  29 -44.890 -16.971  45.571
  232    H    ASP  30           HN       ASP  30 -43.921 -14.743  48.648
  233    HA   ASP  30           HA       ASP  30 -44.659 -14.304  51.425
  234    HB2  ASP  30           HB1      ASP  30 -42.093 -13.792  49.873
  235    HB3  ASP  30           HB2      ASP  30 -42.260 -13.481  51.595
  236    H    LEU  31           HN       LEU  31 -44.727 -12.410  48.585
  237    HA   LEU  31           HA       LEU  31 -44.800  -9.901  50.188
  238    HB2  LEU  31           HB1      LEU  31 -44.711 -10.306  47.177
  239    HB3  LEU  31           HB2      LEU  31 -44.692  -8.747  48.007
  240    HG   LEU  31           HG       LEU  31 -42.525 -10.869  48.217
  241   HD11  LEU  31          HD11      LEU  31 -41.209  -9.309  46.852
  242   HD12  LEU  31          HD12      LEU  31 -42.654  -9.882  45.986
  243   HD13  LEU  31          HD13      LEU  31 -42.629  -8.249  46.694
  244   HD21  LEU  31          HD21      LEU  31 -41.271  -9.065  49.350
  245   HD22  LEU  31          HD22      LEU  31 -42.692  -7.999  49.227
  246   HD23  LEU  31          HD23      LEU  31 -42.762  -9.463  50.237
  247    H    ALA  32           HN       ALA  32 -46.517  -8.417  49.946
  248    HA   ALA  32           HA       ALA  32 -49.112  -9.614  49.842
  249    HB1  ALA  32           HB1      ALA  32 -49.948  -7.290  49.974
  250    HB2  ALA  32           HB2      ALA  32 -48.648  -7.591  51.151
  251    HB3  ALA  32           HB3      ALA  32 -48.304  -6.689  49.657
  252    H    GLU  33           HN       GLU  33 -50.743  -9.550  48.346
  253    HA   GLU  33           HA       GLU  33 -49.971 -10.033  45.697
  254    HB2  GLU  33           HB1      GLU  33 -52.140 -10.731  46.727
  255    HB3  GLU  33           HB2      GLU  33 -52.693  -9.063  46.660
  256    HG2  GLU  33           HG1      GLU  33 -52.526  -9.096  44.209
  257    HG3  GLU  33           HG2      GLU  33 -51.953 -10.762  44.268
  258    H    GLY  34           HN       GLY  34 -49.247  -8.793  44.135
  259    HA2  GLY  34           HA1      GLY  34 -49.670  -7.020  42.543
  260    HA3  GLY  34           HA2      GLY  34 -50.428  -6.075  43.811
  261    H    THR  35           HN       THR  35 -47.954  -7.233  45.469
  262    HA   THR  35           HA       THR  35 -46.466  -4.790  45.406
  263    HB   THR  35           HB       THR  35 -45.706  -7.508  46.561
  264    HG1  THR  35           HG1      THR  35 -47.586  -6.586  47.488
  265   HG21  THR  35          HG21      THR  35 -44.126  -6.225  47.949
  266   HG22  THR  35          HG22      THR  35 -43.740  -6.051  46.220
  267   HG23  THR  35          HG23      THR  35 -44.569  -4.735  47.084
  268    H    VAL  36           HN       VAL  36 -44.806  -4.112  44.246
  269    HA   VAL  36           HA       VAL  36 -43.479  -6.099  42.452
  270    HB   VAL  36           HB       VAL  36 -43.713  -3.072  42.168
  271   HG11  VAL  36          HG11      VAL  36 -42.713  -3.404  39.959
  272   HG12  VAL  36          HG12      VAL  36 -41.613  -3.895  41.269
  273   HG13  VAL  36          HG13      VAL  36 -42.481  -5.130  40.324
  274   HG21  VAL  36          HG21      VAL  36 -45.168  -3.626  40.244
  275   HG22  VAL  36          HG22      VAL  36 -45.011  -5.357  40.627
  276   HG23  VAL  36          HG23      VAL  36 -45.838  -4.266  41.764
  277    H    ARG  37           HN       ARG  37 -41.491  -6.666  42.964
  278    HA   ARG  37           HA       ARG  37 -39.699  -4.636  44.190
  279    HB2  ARG  37           HB1      ARG  37 -40.633  -6.034  46.023
  280    HB3  ARG  37           HB2      ARG  37 -40.021  -7.475  45.225
  281    HG2  ARG  37           HG1      ARG  37 -37.737  -6.769  45.559
  282    HG3  ARG  37           HG2      ARG  37 -38.278  -5.201  46.205
  283    HD2  ARG  37           HD1      ARG  37 -37.709  -6.548  48.042
  284    HD3  ARG  37           HD2      ARG  37 -39.485  -6.481  47.984
  285    HE   ARG  37           HE       ARG  37 -38.759  -8.741  46.541
  286   HH11  ARG  37          HH11      ARG  37 -38.361  -7.557  49.824
  287   HH12  ARG  37          HH12      ARG  37 -38.339  -9.156  50.532
  288   HH21  ARG  37          HH21      ARG  37 -38.730 -10.812  47.472
  289   HH22  ARG  37          HH22      ARG  37 -38.548 -11.000  49.201
  290    H    VAL  38           HN       VAL  38 -37.949  -4.457  42.994
  291    HA   VAL  38           HA       VAL  38 -37.302  -6.426  40.968
  292    HB   VAL  38           HB       VAL  38 -35.758  -3.984  41.944
  293   HG11  VAL  38          HG11      VAL  38 -34.547  -4.140  39.824
  294   HG12  VAL  38          HG12      VAL  38 -34.286  -5.572  40.847
  295   HG13  VAL  38          HG13      VAL  38 -35.391  -5.662  39.454
  296   HG21  VAL  38          HG21      VAL  38 -36.702  -2.915  39.922
  297   HG22  VAL  38          HG22      VAL  38 -37.614  -4.401  39.563
  298   HG23  VAL  38          HG23      VAL  38 -37.990  -3.456  41.024
  299    H    LYS  39           HN       LYS  39 -36.141  -8.198  41.191
  300    HA   LYS  39           HA       LYS  39 -34.593  -8.611  43.662
  301    HB2  LYS  39           HB1      LYS  39 -36.059 -10.413  42.799
  302    HB3  LYS  39           HB2      LYS  39 -35.131 -10.465  41.307
  303    HG2  LYS  39           HG1      LYS  39 -33.161 -11.246  42.493
  304    HG3  LYS  39           HG2      LYS  39 -33.982 -11.059  44.049
  305    HD2  LYS  39           HD1      LYS  39 -35.665 -12.744  43.357
  306    HD3  LYS  39           HD2      LYS  39 -34.824 -12.940  41.812
  307    HE2  LYS  39           HE1      LYS  39 -32.794 -13.688  43.007
  308    HE3  LYS  39           HE2      LYS  39 -33.622 -13.483  44.553
  309    HZ1  LYS  39           HZ1      LYS  39 -33.667 -15.753  43.823
  310    HZ2  LYS  39           HZ2      LYS  39 -35.202 -15.152  43.862
  311    HZ3  LYS  39           HZ3      LYS  39 -34.428 -15.344  42.418
  312    H    GLN  40           HN       GLN  40 -34.031  -8.387  40.160
  313    HA   GLN  40           HA       GLN  40 -31.190  -7.773  40.777
  314    HB2  GLN  40           HB1      GLN  40 -31.309 -10.177  40.132
  315    HB3  GLN  40           HB2      GLN  40 -32.084  -9.728  38.620
  316    HG2  GLN  40           HG1      GLN  40 -30.112  -8.575  37.868
  317    HG3  GLN  40           HG2      GLN  40 -29.326  -8.810  39.455
  318   HE21  GLN  40          HE21      GLN  40 -28.075 -11.339  36.991
  319   HE22  GLN  40          HE22      GLN  40 -28.170  -9.610  37.010
  320    H    GLU  41           HN       GLU  41 -30.699  -5.880  39.969
  321    HA   GLU  41           HA       GLU  41 -32.402  -4.492  38.130
  322    HB2  GLU  41           HB1      GLU  41 -30.914  -3.373  39.793
  323    HB3  GLU  41           HB2      GLU  41 -29.508  -3.909  38.884
  324    HG2  GLU  41           HG1      GLU  41 -29.913  -1.635  38.332
  325    HG3  GLU  41           HG2      GLU  41 -30.332  -2.608  36.924
  326    H    GLY  42           HN       GLY  42 -32.526  -4.505  36.005
  327    HA2  GLY  42           HA1      GLY  42 -30.879  -6.215  34.375
  328    HA3  GLY  42           HA2      GLY  42 -32.051  -5.047  33.795
  329    H    LYS  43           HN       LYS  43 -28.886  -5.847  33.662
  330    HA   LYS  43           HA       LYS  43 -28.139  -3.079  32.887
  331    HB2  LYS  43           HB1      LYS  43 -26.463  -4.878  34.684
  332    HB3  LYS  43           HB2      LYS  43 -25.899  -3.379  33.958
  333    HG2  LYS  43           HG1      LYS  43 -27.667  -2.142  35.202
  334    HG3  LYS  43           HG2      LYS  43 -28.141  -3.659  35.978
  335    HD2  LYS  43           HD1      LYS  43 -25.858  -3.893  36.912
  336    HD3  LYS  43           HD2      LYS  43 -25.392  -2.369  36.143
  337    HE2  LYS  43           HE1      LYS  43 -27.126  -1.182  37.457
  338    HE3  LYS  43           HE2      LYS  43 -27.575  -2.702  38.235
  339    HZ1  LYS  43           HZ1      LYS  43 -26.085  -1.425  39.590
  340    HZ2  LYS  43           HZ2      LYS  43 -25.353  -2.831  39.133
  341    HZ3  LYS  43           HZ3      LYS  43 -24.935  -1.410  38.408
  342    H    LEU  44           HN       LEU  44 -26.734  -2.906  31.200
  343    HA   LEU  44           HA       LEU  44 -26.450  -5.268  29.524
  344    HB2  LEU  44           HB1      LEU  44 -25.417  -2.426  29.236
  345    HB3  LEU  44           HB2      LEU  44 -25.233  -3.680  28.005
  346    HG   LEU  44           HG       LEU  44 -27.918  -2.680  29.016
  347   HD11  LEU  44          HD11      LEU  44 -28.012  -1.413  26.915
  348   HD12  LEU  44          HD12      LEU  44 -26.670  -0.871  27.951
  349   HD13  LEU  44          HD13      LEU  44 -26.344  -1.908  26.542
  350   HD21  LEU  44          HD21      LEU  44 -28.739  -3.815  26.979
  351   HD22  LEU  44          HD22      LEU  44 -27.081  -4.345  26.605
  352   HD23  LEU  44          HD23      LEU  44 -27.906  -4.960  28.058
  353    H    GLY  45           HN       GLY  45 -24.623  -6.388  28.976
  354    HA2  GLY  45           HA1      GLY  45 -22.221  -5.963  30.665
  355    HA3  GLY  45           HA2      GLY  45 -22.533  -7.346  29.633
  356    H    LYS  46           HN       LYS  46 -20.233  -6.865  29.026
  357    HA   LYS  46           HA       LYS  46 -20.258  -5.641  26.410
  358    HB2  LYS  46           HB1      LYS  46 -18.601  -3.893  26.785
  359    HB3  LYS  46           HB2      LYS  46 -20.014  -3.591  27.787
  360    HG2  LYS  46           HG1      LYS  46 -18.832  -4.503  29.748
  361    HG3  LYS  46           HG2      LYS  46 -17.412  -4.822  28.742
  362    HD2  LYS  46           HD1      LYS  46 -17.268  -2.394  28.210
  363    HD3  LYS  46           HD2      LYS  46 -18.653  -2.096  29.271
  364    HE2  LYS  46           HE1      LYS  46 -17.394  -2.968  31.194
  365    HE3  LYS  46           HE2      LYS  46 -16.020  -3.339  30.149
  366    HZ1  LYS  46           HZ1      LYS  46 -15.721  -1.270  31.297
  367    HZ2  LYS  46           HZ2      LYS  46 -15.823  -0.996  29.674
  368    HZ3  LYS  46           HZ3      LYS  46 -17.106  -0.649  30.651
  369    H    LYS  47           HN       LYS  47 -18.664  -6.404  25.123
  370    HA   LYS  47           HA       LYS  47 -16.626  -8.146  26.411
  371    HB2  LYS  47           HB1      LYS  47 -17.465  -7.854  23.499
  372    HB3  LYS  47           HB2      LYS  47 -16.185  -8.918  24.064
  373    HG2  LYS  47           HG1      LYS  47 -17.844 -10.152  25.443
  374    HG3  LYS  47           HG2      LYS  47 -19.120  -9.106  24.803
  375    HD2  LYS  47           HD1      LYS  47 -18.587  -9.861  22.506
  376    HD3  LYS  47           HD2      LYS  47 -17.313 -10.908  23.147
  377    HE2  LYS  47           HE1      LYS  47 -18.998 -12.156  24.459
  378    HE3  LYS  47           HE2      LYS  47 -20.271 -11.112  23.822
  379    HZ1  LYS  47           HZ1      LYS  47 -20.125 -13.163  22.614
  380    HZ2  LYS  47           HZ2      LYS  47 -19.738 -11.904  21.621
  381    HZ3  LYS  47           HZ3      LYS  47 -18.550 -12.880  22.216
  382    H    VAL  48           HN       VAL  48 -14.733  -7.319  26.869
  383    HA   VAL  48           HA       VAL  48 -13.944  -4.787  25.560
  384    HB   VAL  48           HB       VAL  48 -12.748  -6.268  27.941
  385   HG11  VAL  48          HG11      VAL  48 -11.519  -4.194  28.362
  386   HG12  VAL  48          HG12      VAL  48 -11.080  -4.924  26.800
  387   HG13  VAL  48          HG13      VAL  48 -12.159  -3.510  26.850
  388   HG21  VAL  48          HG21      VAL  48 -13.815  -4.469  29.262
  389   HG22  VAL  48          HG22      VAL  48 -14.526  -3.800  27.774
  390   HG23  VAL  48          HG23      VAL  48 -15.026  -5.406  28.356
  391    H    GLU  49           HN       GLU  49 -12.555  -4.725  23.943
  392    HA   GLU  49           HA       GLU  49 -10.367  -6.750  23.904
  393    HB2  GLU  49           HB1      GLU  49 -12.058  -7.367  22.195
  394    HB3  GLU  49           HB2      GLU  49 -11.930  -5.765  21.482
  395    HG2  GLU  49           HG1      GLU  49  -9.618  -6.177  20.860
  396    HG3  GLU  49           HG2      GLU  49  -9.644  -7.738  21.678
  397    H    ILE  50           HN       ILE  50  -8.780  -5.449  24.648
  398    HA   ILE  50           HA       ILE  50  -8.352  -2.846  23.290
  399    HB   ILE  50           HB       ILE  50  -6.972  -4.074  25.715
  400   HG12  ILE  50          HG11      ILE  50  -8.931  -1.773  25.602
  401   HG13  ILE  50          HG12      ILE  50  -9.391  -3.426  25.977
  402   HG21  ILE  50          HG21      ILE  50  -5.995  -1.834  26.008
  403   HG22  ILE  50          HG22      ILE  50  -5.492  -2.553  24.461
  404   HG23  ILE  50          HG23      ILE  50  -6.754  -1.299  24.490
  405   HD11  ILE  50          HD11      ILE  50  -9.099  -2.116  28.004
  406   HD12  ILE  50          HD12      ILE  50  -7.887  -3.418  27.920
  407   HD13  ILE  50          HD13      ILE  50  -7.422  -1.742  27.542
  408    H    VAL  51           HN       VAL  51  -7.102  -2.744  21.580
  409    HA   VAL  51           HA       VAL  51  -4.741  -4.570  21.462
  410    HB   VAL  51           HB       VAL  51  -5.066  -4.773  19.026
  411   HG11  VAL  51          HG11      VAL  51  -7.044  -6.213  19.043
  412   HG12  VAL  51          HG12      VAL  51  -6.016  -6.478  20.470
  413   HG13  VAL  51          HG13      VAL  51  -7.521  -5.539  20.619
  414   HG21  VAL  51          HG21      VAL  51  -7.166  -3.967  17.994
  415   HG22  VAL  51          HG22      VAL  51  -7.638  -3.223  19.540
  416   HG23  VAL  51          HG23      VAL  51  -6.216  -2.617  18.658
  417    H    ARG  52           HN       ARG  52  -3.005  -3.803  20.054
  418    HA   ARG  52           HA       ARG  52  -2.926  -0.819  19.970
  419    HB2  ARG  52           HB1      ARG  52  -1.239  -1.902  21.442
  420    HB3  ARG  52           HB2      ARG  52  -0.618  -2.793  20.061
  421    HG2  ARG  52           HG1      ARG  52   0.207  -0.815  19.028
  422    HG3  ARG  52           HG2      ARG  52  -0.673   0.228  20.171
  423    HD2  ARG  52           HD1      ARG  52   1.605   0.181  20.808
  424    HD3  ARG  52           HD2      ARG  52   0.682  -0.769  21.996
  425    HE   ARG  52           HE       ARG  52   1.595  -2.547  20.031
  426   HH11  ARG  52          HH11      ARG  52   2.937  -0.419  22.483
  427   HH12  ARG  52          HH12      ARG  52   4.362  -1.402  22.735
  428   HH21  ARG  52          HH21      ARG  52   3.448  -3.815  20.368
  429   HH22  ARG  52          HH22      ARG  52   4.652  -3.325  21.538
  430    H    ILE  53           HN       ILE  53  -3.033   0.094  18.051
  431    HA   ILE  53           HA       ILE  53  -2.905  -1.564  15.651
  432    HB   ILE  53           HB       ILE  53  -3.380   1.422  16.033
  433   HG12  ILE  53          HG11      ILE  53  -5.332  -0.775  15.318
  434   HG13  ILE  53          HG12      ILE  53  -5.093  -0.168  16.948
  435   HG21  ILE  53          HG21      ILE  53  -4.123   1.403  13.686
  436   HG22  ILE  53          HG22      ILE  53  -2.407   0.950  13.817
  437   HG23  ILE  53          HG23      ILE  53  -3.639  -0.304  13.542
  438   HD11  ILE  53          HD11      ILE  53  -7.028   0.868  15.901
  439   HD12  ILE  53          HD12      ILE  53  -5.766   2.081  16.223
  440   HD13  ILE  53          HD13      ILE  53  -6.009   1.466  14.571
  441    H    PHE  54           HN       PHE  54  -1.205  -1.936  14.432
  442    HA   PHE  54           HA       PHE  54   1.171  -0.167  14.757
  443    HB2  PHE  54           HB1      PHE  54   1.520  -2.584  15.184
  444    HB3  PHE  54           HB2      PHE  54   0.945  -2.961  13.568
  445    HD1  PHE  54           HD1      PHE  54   3.184  -0.162  14.570
  446    HD2  PHE  54           HD2      PHE  54   2.825  -3.925  12.580
  447    HE1  PHE  54           HE1      PHE  54   5.483   0.083  13.695
  448    HE2  PHE  54           HE2      PHE  54   5.125  -3.685  11.705
  449    HZ   PHE  54           HZ       PHE  54   6.454  -1.678  12.262
  450    H    SER  55           HN       SER  55   1.435   1.353  13.298
  451    HA   SER  55           HA       SER  55   0.529   0.783  10.505
  452    HB2  SER  55           HB1      SER  55  -0.836   2.524  11.490
  453    HB3  SER  55           HB2      SER  55   0.584   3.391  12.053
  454    HG   SER  55           HG       SER  55  -0.511   3.997  10.001
  455    H    VAL  56           HN       VAL  56   1.912   1.078   8.864
  456    HA   VAL  56           HA       VAL  56   4.624   2.120   9.575
  457    HB   VAL  56           HB       VAL  56   3.894  -0.082   7.597
  458   HG11  VAL  56          HG11      VAL  56   6.308  -0.358   7.312
  459   HG12  VAL  56          HG12      VAL  56   5.755   1.251   6.790
  460   HG13  VAL  56          HG13      VAL  56   6.591   1.059   8.350
  461   HG21  VAL  56          HG21      VAL  56   5.145  -1.536   9.161
  462   HG22  VAL  56          HG22      VAL  56   5.385  -0.151  10.253
  463   HG23  VAL  56          HG23      VAL  56   3.746  -0.782   9.962
  464    H    ASN  57           HN       ASN  57   5.231   3.872   8.522
  465    HA   ASN  57           HA       ASN  57   5.244   5.597   6.998
  466    HB2  ASN  57           HB1      ASN  57   4.353   3.471   5.022
  467    HB3  ASN  57           HB2      ASN  57   5.060   5.032   4.626
  468   HD21  ASN  57          HD21      ASN  57   7.742   2.545   4.397
  469   HD22  ASN  57          HD22      ASN  57   6.242   2.882   3.600
  470    H    LYS  58           HN       LYS  58   2.985   5.407   8.582
  471    HA   LYS  58           HA       LYS  58   0.804   6.120   8.749
  472    HB2  LYS  58           HB1      LYS  58   1.398   7.398   6.049
  473    HB3  LYS  58           HB2      LYS  58   0.002   7.761   7.054
  474    HG2  LYS  58           HG1      LYS  58   1.537   8.562   8.847
  475    HG3  LYS  58           HG2      LYS  58   2.904   8.275   7.761
  476    HD2  LYS  58           HD1      LYS  58   2.036   9.888   6.157
  477    HD3  LYS  58           HD2      LYS  58   0.559  10.095   7.108
  478    HE2  LYS  58           HE1      LYS  58   1.980  11.958   7.605
  479    HE3  LYS  58           HE2      LYS  58   2.001  10.904   9.021
  480    HZ1  LYS  58           HZ1      LYS  58   4.192  11.650   8.445
  481    HZ2  LYS  58           HZ2      LYS  58   4.094  10.014   8.256
  482    HZ3  LYS  58           HZ3      LYS  58   4.075  11.000   6.934
  483    H    GLU  59           HN       GLU  59   0.802   3.589   8.219
  484    HA   GLU  59           HA       GLU  59  -1.586   3.218   6.601
  485    HB2  GLU  59           HB1      GLU  59   0.180   3.197   4.844
  486    HB3  GLU  59           HB2      GLU  59   1.002   1.894   5.692
  487    HG2  GLU  59           HG1      GLU  59  -0.921   0.422   5.343
  488    HG3  GLU  59           HG2      GLU  59  -1.793   1.729   4.544
  489    H    GLU  60           HN       GLU  60  -2.771   1.975   7.847
  490    HA   GLU  60           HA       GLU  60  -1.779   0.481  10.032
  491    HB2  GLU  60           HB1      GLU  60  -4.143   1.254   9.764
  492    HB3  GLU  60           HB2      GLU  60  -4.379   0.049   8.506
  493    HG2  GLU  60           HG1      GLU  60  -3.996  -1.749  10.100
  494    HG3  GLU  60           HG2      GLU  60  -3.632  -0.582  11.369
  495    H    VAL  61           HN       VAL  61  -0.782  -1.385  10.210
  496    HA   VAL  61           HA       VAL  61  -0.803  -3.205   7.846
  497    HB   VAL  61           HB       VAL  61   1.179  -2.973  10.151
  498   HG11  VAL  61          HG11      VAL  61   2.529  -4.594   8.911
  499   HG12  VAL  61          HG12      VAL  61   0.967  -5.278   9.419
  500   HG13  VAL  61          HG13      VAL  61   1.215  -4.782   7.727
  501   HG21  VAL  61          HG21      VAL  61   2.718  -2.176   8.385
  502   HG22  VAL  61          HG22      VAL  61   1.403  -2.289   7.191
  503   HG23  VAL  61          HG23      VAL  61   1.296  -1.116   8.525
  504    H    SER  62           HN       SER  62  -0.737  -3.284  11.431
  505    HA   SER  62           HA       SER  62  -2.689  -5.458  11.455
  506    HB2  SER  62           HB1      SER  62  -1.305  -7.125  12.473
  507    HB3  SER  62           HB2      SER  62  -0.509  -6.612  10.993
  508    HG   SER  62           HG       SER  62   0.032  -5.663  13.588
  509    H    ARG  63           HN       ARG  63  -2.750  -6.359  13.863
  510    HA   ARG  63           HA       ARG  63  -2.368  -4.071  15.731
  511    HB2  ARG  63           HB1      ARG  63  -4.917  -5.703  15.473
  512    HB3  ARG  63           HB2      ARG  63  -4.605  -4.476  16.691
  513    HG2  ARG  63           HG1      ARG  63  -4.446  -2.766  14.907
  514    HG3  ARG  63           HG2      ARG  63  -4.835  -4.021  13.706
  515    HD2  ARG  63           HD1      ARG  63  -6.936  -4.453  14.923
  516    HD3  ARG  63           HD2      ARG  63  -6.553  -3.080  15.987
  517    HE   ARG  63           HE       ARG  63  -6.419  -2.275  13.259
  518   HH11  ARG  63          HH11      ARG  63  -8.723  -3.137  15.767
  519   HH12  ARG  63          HH12      ARG  63 -10.009  -2.158  15.097
  520   HH21  ARG  63          HH21      ARG  63  -8.096  -1.008  12.399
  521   HH22  ARG  63          HH22      ARG  63  -9.655  -0.953  13.190
  522    H    GLU  64           HN       GLU  64  -1.961  -4.601  17.845
  523    HA   GLU  64           HA       GLU  64  -1.383  -7.495  18.289
  524    HB2  GLU  64           HB1      GLU  64  -0.154  -5.022  19.573
  525    HB3  GLU  64           HB2      GLU  64   0.237  -6.678  20.014
  526    HG2  GLU  64           HG1      GLU  64   1.142  -7.103  17.802
  527    HG3  GLU  64           HG2      GLU  64   0.645  -5.503  17.257
  528    H    ILE  65           HN       ILE  65  -2.071  -8.544  20.088
  529    HA   ILE  65           HA       ILE  65  -4.387  -7.398  21.426
  530    HB   ILE  65           HB       ILE  65  -2.910 -10.033  21.826
  531   HG12  ILE  65          HG11      ILE  65  -5.577  -9.485  20.508
  532   HG13  ILE  65          HG12      ILE  65  -4.064  -9.647  19.630
  533   HG21  ILE  65          HG21      ILE  65  -4.884 -10.717  23.128
  534   HG22  ILE  65          HG22      ILE  65  -4.061  -9.339  23.893
  535   HG23  ILE  65          HG23      ILE  65  -5.561  -9.079  22.972
  536   HD11  ILE  65          HD11      ILE  65  -5.321 -11.728  19.604
  537   HD12  ILE  65          HD12      ILE  65  -3.793 -11.932  20.494
  538   HD13  ILE  65          HD13      ILE  65  -5.327 -11.768  21.382
  539    H    VAL  66           HN       VAL  66  -4.440  -6.257  23.218
  540    HA   VAL  66           HA       VAL  66  -1.967  -6.182  24.884
  541    HB   VAL  66           HB       VAL  66  -4.245  -4.171  24.633
  542   HG11  VAL  66          HG11      VAL  66  -2.858  -2.712  26.023
  543   HG12  VAL  66          HG12      VAL  66  -3.339  -4.192  26.885
  544   HG13  VAL  66          HG13      VAL  66  -1.687  -4.034  26.242
  545   HG21  VAL  66          HG21      VAL  66  -2.519  -2.756  23.566
  546   HG22  VAL  66          HG22      VAL  66  -1.344  -4.086  23.707
  547   HG23  VAL  66          HG23      VAL  66  -2.768  -4.264  22.655
  548    H    SER  67           HN       SER  67  -5.538  -6.020  25.181
  549    HA   SER  67           HA       SER  67  -5.483  -7.781  27.503
  550    HB2  SER  67           HB1      SER  67  -4.829  -5.676  28.569
  551    HB3  SER  67           HB2      SER  67  -6.200  -4.851  27.844
  552    HG   SER  67           HG       SER  67  -7.010  -7.063  29.082
  553    H    THR  68           HN       THR  68  -7.243  -8.975  27.439
  554    HA   THR  68           HA       THR  68  -9.733  -7.738  26.343
  555    HB   THR  68           HB       THR  68 -10.353  -9.920  25.384
  556    HG1  THR  68           HG1      THR  68  -9.372 -11.535  26.368
  557   HG21  THR  68          HG21      THR  68  -8.673 -10.025  23.585
  558   HG22  THR  68          HG22      THR  68  -9.076  -8.338  23.980
  559   HG23  THR  68          HG23      THR  68  -7.555  -9.050  24.566
  560    H    SER  69           HN       SER  69 -11.716  -8.510  27.178
  561    HA   SER  69           HA       SER  69 -11.866 -10.406  29.321
  562    HB2  SER  69           HB1      SER  69 -10.674  -8.675  30.578
  563    HB3  SER  69           HB2      SER  69 -11.869  -7.475  30.112
  564    HG   SER  69           HG       SER  69 -11.973  -9.470  31.972
  565    H    THR  70           HN       THR  70 -13.939 -10.943  29.797
  566    HA   THR  70           HA       THR  70 -16.015  -9.414  28.292
  567    HB   THR  70           HB       THR  70 -15.993 -12.339  29.152
  568    HG1  THR  70           HG1      THR  70 -15.637 -12.730  27.003
  569   HG21  THR  70          HG21      THR  70 -18.067 -12.505  27.833
  570   HG22  THR  70          HG22      THR  70 -18.262 -11.363  29.184
  571   HG23  THR  70          HG23      THR  70 -18.020 -10.753  27.530
  572    H    THR  71           HN       THR  71 -17.396  -8.261  29.411
  573    HA   THR  71           HA       THR  71 -17.843  -8.926  32.269
  574    HB   THR  71           HB       THR  71 -18.674  -6.494  30.629
  575    HG1  THR  71           HG1      THR  71 -16.455  -7.174  32.132
  576   HG21  THR  71          HG21      THR  71 -19.332  -5.529  32.798
  577   HG22  THR  71          HG22      THR  71 -20.285  -6.988  32.436
  578   HG23  THR  71          HG23      THR  71 -18.946  -7.067  33.604
  579    H    ALA  72           HN       ALA  72 -19.464 -10.169  32.827
  580    HA   ALA  72           HA       ALA  72 -21.426 -11.020  30.910
  581    HB1  ALA  72           HB1      ALA  72 -22.417 -12.252  32.812
  582    HB2  ALA  72           HB2      ALA  72 -20.654 -12.481  32.725
  583    HB3  ALA  72           HB3      ALA  72 -21.349 -11.372  33.929
  584    HA   PRO  73           HA       PRO  73 -24.471  -7.948  31.506
  585    HB2  PRO  73           HB1      PRO  73 -26.634  -9.196  30.402
  586    HB3  PRO  73           HB2      PRO  73 -25.274  -8.651  29.413
  587    HG2  PRO  73           HG1      PRO  73 -25.834 -11.436  30.521
  588    HG3  PRO  73           HG2      PRO  73 -25.394 -10.985  28.871
  589    HD2  PRO  73           HD1      PRO  73 -23.529 -11.871  30.664
  590    HD3  PRO  73           HD2      PRO  73 -23.131 -10.631  29.408
  591    H    SER  74           HN       SER  74 -26.615  -7.646  32.583
  592    HA   SER  74           HA       SER  74 -27.065  -9.691  34.719
  593    HB2  SER  74           HB1      SER  74 -26.058  -7.667  35.648
  594    HB3  SER  74           HB2      SER  74 -27.282  -6.667  34.880
  595    HG   SER  74           HG       SER  74 -28.520  -7.059  36.450
  596    HA   PRO  75           HA       PRO  75 -30.954  -9.735  32.412
  597    HB2  PRO  75           HB1      PRO  75 -31.249 -12.008  34.409
  598    HB3  PRO  75           HB2      PRO  75 -31.681 -11.971  32.694
  599    HG2  PRO  75           HG1      PRO  75 -29.446 -13.229  33.400
  600    HG3  PRO  75           HG2      PRO  75 -29.422 -12.188  31.973
  601    HD2  PRO  75           HD1      PRO  75 -28.442 -11.595  34.795
  602    HD3  PRO  75           HD2      PRO  75 -27.654 -11.215  33.212
  603    H    ARG  76           HN       ARG  76 -32.850  -8.784  33.010
  604    HA   ARG  76           HA       ARG  76 -33.004  -7.666  35.709
  605    HB2  ARG  76           HB1      ARG  76 -33.600  -6.339  33.695
  606    HB3  ARG  76           HB2      ARG  76 -34.933  -7.438  33.372
  607    HG2  ARG  76           HG1      ARG  76 -36.048  -6.767  35.420
  608    HG3  ARG  76           HG2      ARG  76 -34.663  -5.741  35.867
  609    HD2  ARG  76           HD1      ARG  76 -36.331  -5.409  33.385
  610    HD3  ARG  76           HD2      ARG  76 -36.542  -4.495  34.896
  611    HE   ARG  76           HE       ARG  76 -34.498  -4.127  32.877
  612   HH11  ARG  76          HH11      ARG  76 -35.340  -3.644  36.253
  613   HH12  ARG  76          HH12      ARG  76 -34.230  -2.310  36.469
  614   HH21  ARG  76          HH21      ARG  76 -33.060  -2.394  33.169
  615   HH22  ARG  76          HH22      ARG  76 -32.938  -1.601  34.724
  616    H    ILE  77           HN       ILE  77 -33.883  -8.674  37.363
  617    HA   ILE  77           HA       ILE  77 -36.138 -10.558  36.817
  618    HB   ILE  77           HB       ILE  77 -34.054 -10.692  39.038
  619   HG12  ILE  77          HG11      ILE  77 -34.507 -12.558  36.699
  620   HG13  ILE  77          HG12      ILE  77 -33.257 -11.325  36.761
  621   HG21  ILE  77          HG21      ILE  77 -35.149 -12.818  39.624
  622   HG22  ILE  77          HG22      ILE  77 -36.277 -11.453  39.784
  623   HG23  ILE  77          HG23      ILE  77 -36.382 -12.532  38.374
  624   HD11  ILE  77          HD11      ILE  77 -32.362 -13.511  37.335
  625   HD12  ILE  77          HD12      ILE  77 -32.266 -12.410  38.730
  626   HD13  ILE  77          HD13      ILE  77 -33.531 -13.660  38.667
  627    H    VAL  78           HN       VAL  78 -38.029  -9.947  37.560
  628    HA   VAL  78           HA       VAL  78 -38.075  -8.085  39.900
  629    HB   VAL  78           HB       VAL  78 -39.955  -8.132  37.500
  630   HG11  VAL  78          HG11      VAL  78 -40.954  -6.134  38.499
  631   HG12  VAL  78          HG12      VAL  78 -41.127  -7.561  39.548
  632   HG13  VAL  78          HG13      VAL  78 -39.904  -6.323  39.924
  633   HG21  VAL  78          HG21      VAL  78 -38.977  -5.911  37.016
  634   HG22  VAL  78          HG22      VAL  78 -37.866  -6.102  38.394
  635   HG23  VAL  78          HG23      VAL  78 -37.733  -7.183  36.986
  636    H    GLU  79           HN       GLU  79 -39.349  -8.600  41.565
  637    HA   GLU  79           HA       GLU  79 -40.842 -11.148  41.388
  638    HB2  GLU  79           HB1      GLU  79 -40.158  -9.371  43.766
  639    HB3  GLU  79           HB2      GLU  79 -41.022 -10.898  43.873
  640    HG2  GLU  79           HG1      GLU  79 -39.061 -12.076  42.964
  641    HG3  GLU  79           HG2      GLU  79 -38.194 -10.545  42.857
  642    H    LYS  80           HN       LYS  80 -42.999 -11.393  41.760
  643    HA   LYS  80           HA       LYS  80 -44.574  -8.873  42.079
  644    HB2  LYS  80           HB1      LYS  80 -44.717  -9.687  39.744
  645    HB3  LYS  80           HB2      LYS  80 -45.256 -11.260  40.315
  646    HG2  LYS  80           HG1      LYS  80 -47.296 -10.238  41.243
  647    HG3  LYS  80           HG2      LYS  80 -46.751  -8.648  40.688
  648    HD2  LYS  80           HD1      LYS  80 -46.768  -9.441  38.353
  649    HD3  LYS  80           HD2      LYS  80 -47.275 -11.048  38.894
  650    HE2  LYS  80           HE1      LYS  80 -49.349 -10.071  39.836
  651    HE3  LYS  80           HE2      LYS  80 -48.847  -8.473  39.278
  652    HZ1  LYS  80           HZ1      LYS  80 -50.367  -9.502  37.755
  653    HZ2  LYS  80           HZ2      LYS  80 -48.899  -9.306  37.028
  654    HZ3  LYS  80           HZ3      LYS  80 -49.369 -10.799  37.550
  655    H    GLY  81           HN       GLY  81 -45.708  -8.840  43.864
  656    HA2  GLY  81           HA1      GLY  81 -45.819 -11.050  45.661
  657    HA3  GLY  81           HA2      GLY  81 -46.738  -9.564  45.811
  658    H    THR  82           HN       THR  82 -47.385 -12.526  46.149
  659    HA   THR  82           HA       THR  82 -50.015 -12.369  44.841
  660    HB   THR  82           HB       THR  82 -48.548 -13.534  43.161
  661    HG1  THR  82           HG1      THR  82 -50.272 -14.674  42.704
  662   HG21  THR  82          HG21      THR  82 -47.787 -15.820  43.678
  663   HG22  THR  82          HG22      THR  82 -47.018 -14.633  44.758
  664   HG23  THR  82          HG23      THR  82 -48.361 -15.637  45.351
  665    H    LYS  83           HN       LYS  83 -50.948 -14.883  45.304
  666    HA   LYS  83           HA       LYS  83 -50.594 -15.219  48.247
  667    HB2  LYS  83           HB1      LYS  83 -53.229 -14.983  46.742
  668    HB3  LYS  83           HB2      LYS  83 -53.089 -15.514  48.412
  669    HG2  LYS  83           HG1      LYS  83 -52.116 -13.330  49.028
  670    HG3  LYS  83           HG2      LYS  83 -52.267 -12.796  47.348
  671    HD2  LYS  83           HD1      LYS  83 -54.705 -13.074  47.450
  672    HD3  LYS  83           HD2      LYS  83 -54.583 -13.693  49.103
  673    HE2  LYS  83           HE1      LYS  83 -53.702 -11.551  49.883
  674    HE3  LYS  83           HE2      LYS  83 -53.675 -10.925  48.233
  675    HZ1  LYS  83           HZ1      LYS  83 -55.600 -10.180  49.428
  676    HZ2  LYS  83           HZ2      LYS  83 -56.064 -11.145  48.173
  677    HZ3  LYS  83           HZ3      LYS  83 -56.089 -11.729  49.715
  678    H    LYS  84           HN       LYS  84 -49.843 -16.685  45.653
  679    HA   LYS  84           HA       LYS  84 -51.380 -19.140  45.719
  680    HB2  LYS  84           HB1      LYS  84 -48.695 -18.447  44.466
  681    HB3  LYS  84           HB2      LYS  84 -49.494 -20.000  44.265
  682    HG2  LYS  84           HG1      LYS  84 -51.431 -18.850  43.219
  683    HG3  LYS  84           HG2      LYS  84 -50.575 -17.310  43.378
  684    HD2  LYS  84           HD1      LYS  84 -48.737 -18.181  41.973
  685    HD3  LYS  84           HD2      LYS  84 -49.584 -19.727  41.820
  686    HE2  LYS  84           HE1      LYS  84 -51.483 -18.579  40.726
  687    HE3  LYS  84           HE2      LYS  84 -50.640 -17.035  40.877
  688    HZ1  LYS  84           HZ1      LYS  84 -50.351 -17.990  38.710
  689    HZ2  LYS  84           HZ2      LYS  84 -48.896 -17.918  39.485
  690    HZ3  LYS  84           HZ3      LYS  84 -49.684 -19.360  39.342