Detailed results of SR213_R3Cons_em_bcr3 by PSVS

Output from PDBStat

Constraints analysis

table of NOE constraints


# -------------- SUMMARY OF RESTRAINTS  --------------- 
# TOTAL NUMBER OF NOE RESTRAINTS            :  2023
#      INTRA-RESIDUE RESTRAINTS   (I=J)     :   419
#      SEQUENTIAL    RESTRAINTS   (I-J)=1   :   498
#          BACKBONE-BACKBONE                :        91
#          BACKBONE-SIDE CHAIN              :        24
#          SIDE CHAIN-SIDE CHAIN            :       383
#      MEDIUM RANGE  RESTRAINTS  1<(I-J)<5  :   626
#          BACKBONE-BACKBONE                :       249
#          BACKBONE-SIDE CHAIN              :       197
#          SIDE CHAIN-SIDE CHAIN            :       180
#      LONG  RANGE   RESTRAINTS   (I-J)>=5  :   480
# TOTAL HYDROGEN BOND RESTRAINTS            :     0
#      LONG RANGE H-BOND RESTR.   (I-J)>=5  :     0
# DISULFIDE RESTRAINTS                      :     0
# INTRA-CHAIN RESTRAINTS                    :  2023
# INTER-CHAIN RESTRAINTS                    :     0
# AMBIGUOUS RESTRAINTS                      :     0
# ----------------------------------------------------- 
# ----------------------------------------------------- 
# ----------------------------------------------------- 


# RES   #    INTRA  INTER   seq    med    lng   InterChain
 MET     1      0    0.0    0.0    0.0    0.0    0.0
 LEU     2      0    0.0    0.0    0.0    0.0    0.0
 SER     3      0    0.0    0.0    0.0    0.0    0.0
 GLN     4      0    0.0    0.0    0.0    0.0    0.0
 THR     5      0    0.0    0.0    0.0    0.0    0.0
 LEU     6      1   16.5    1.0    3.0   12.5    0.0
 LEU     7      2   20.5    4.5    8.5    7.5    0.0
 GLU     8      6    9.5    6.5    3.0    0.0    0.0
 MET     9      5   15.5    4.5    4.5    6.5    0.0
 THR    10      2   28.0    3.5   10.5   14.0    0.0
 GLU    11      5   16.5    5.5   11.0    0.0    0.0
 GLN    12     13   23.0    7.0   11.5    4.5    0.0
 MET    13      7   25.0    6.5    7.0   11.5    0.0
 ILE    14      3   29.0    6.0   11.0   12.0    0.0
 GLU    15      8   19.0    8.0   10.5    0.5    0.0
 VAL    16      3   25.0    7.5   10.0    7.5    0.0
 ALA    17      0   16.0    4.0    5.5    6.5    0.0
 GLU    18      8   17.0    4.5    7.5    5.0    0.0
 LYS    19     11   14.0    6.0    8.0    0.0    0.0
 GLY    20      0   10.5    3.5    5.5    1.5    0.0
 ALA    21      0   16.0    2.5    7.5    6.0    0.0
 ASP    22      1    9.0    2.5    6.5    0.0    0.0
 ARG    23      2    8.0    2.5    5.5    0.0    0.0
 TYR    24      3   16.0    5.0    5.5    5.5    0.0
 GLN    25      2    8.5    4.5    4.0    0.0    0.0
 GLU    26      3    3.5    1.5    2.0    0.0    0.0
 GLY    27      0    0.0    0.0    0.0    0.0    0.0
 LYS    28      0    0.0    0.0    0.0    0.0    0.0
 ASN    29      0    0.0    0.0    0.0    0.0    0.0
 SER    30      0    0.0    0.0    0.0    0.0    0.0
 ASN    31      0    0.0    0.0    0.0    0.0    0.0
 HIS    32      0    0.0    0.0    0.0    0.0    0.0
 SER    33      0    0.0    0.0    0.0    0.0    0.0
 TYR    34      0    3.0    0.0    0.0    3.0    0.0
 ASP    35      0    0.0    0.0    0.0    0.0    0.0
 PHE    36      0    8.5    1.0    4.5    3.0    0.0
 PHE    37      0    5.5    2.0    3.5    0.0    0.0
 GLU    38     10    3.5    3.5    0.0    0.0    0.0
 THR    39      1    7.0    4.5    0.0    2.5    0.0
 ILE    40      5   18.5    5.0    8.0    5.5    0.0
 LYS    41      0   10.5    5.5    4.0    1.0    0.0
 PRO    42      0    4.5    3.5    1.0    0.0    0.0
 ALA    43      1   12.0    2.0    8.5    1.5    0.0
 VAL    44      2   11.0    3.0    6.0    2.0    0.0
 GLU    45      8   10.0    4.5    5.5    0.0    0.0
 GLU    46      4   14.0    5.0    9.0    0.0    0.0
 ASN    47      5   20.5    4.0    9.5    7.0    0.0
 ASP    48      2   13.0    4.0    6.0    3.0    0.0
 GLU    49      6   12.5    5.0    7.5    0.0    0.0
 LEU    50      8   26.5    5.5    9.5   11.5    0.0
 ALA    51      0   16.5    4.5    7.5    4.5    0.0
 ALA    52      0    9.5    2.5    7.0    0.0    0.0
 ARG    53      7   11.0    5.0    6.0    0.0    0.0
 TRP    54      3   44.5    8.5    9.5   26.5    0.0
 ALA    55      1   17.0    7.0    7.0    3.0    0.0
 GLU    56     11   16.0    5.5   10.5    0.0    0.0
 GLY    57      0   14.5    3.5    7.5    3.5    0.0
 ALA    58      0   20.5    1.5   10.0    9.0    0.0
 LEU    59      8   24.5    4.5   12.0    8.0    0.0
 GLU    60      4   18.5    6.5   12.0    0.0    0.0
 LEU    61      5   17.5    7.0    7.5    3.0    0.0
 ILE    62      5   21.5    6.5    5.0   10.0    0.0
 LYS    63     11   16.0    9.5    6.5    0.0    0.0
 VAL    64      6   13.5   10.5    3.0    0.0    0.0
 ARG    65      1    6.0    3.5    2.5    0.0    0.0
 ARG    66      0    0.0    0.0    0.0    0.0    0.0
 PRO    67      0    0.5    0.0    0.0    0.5    0.0
 LYS    68     10    7.5    6.0    1.0    0.5    0.0
 TYR    69      0   13.5    8.0    0.0    5.5    0.0
 VAL    70      3   21.5    4.5    2.0   15.0    0.0
 HIS    71      4    7.0    2.5    3.0    1.5    0.0
 LYS    72      3   12.0    2.5    4.0    5.5    0.0
 GLU    73      9    9.0    5.5    3.5    0.0    0.0
 GLN    74      9   13.5    6.5    6.0    1.0    0.0
 ILE    75      7   38.0    8.0    6.5   23.5    0.0
 GLU    76      6   18.5    7.0    8.0    3.5    0.0
 ALA    77      1   11.0    4.0    7.0    0.0    0.0
 VAL    78      3   31.0    4.5   13.5   13.0    0.0
 LYS    79     12   16.0    7.5    6.5    2.0    0.0
 ASP    80      2   11.0    6.5    4.5    0.0    0.0
 ASN    81      5   19.0    4.5    9.5    5.0    0.0
 PHE    82      2   31.0    8.0   10.0   13.0    0.0
 LEU    83      9   20.0    8.5    7.0    4.5    0.0
 GLU    84      0   12.0    4.5    5.5    2.0    0.0
 LEU    85      5   30.5    6.0    6.0   18.5    0.0
 VAL    86      2   20.5    6.5    6.5    7.5    0.0
 LEU    87      7   11.5    5.0    4.5    2.0    0.0
 GLN    88      2   11.0    4.5    3.0    3.5    0.0
 SER    89      0    6.0    2.0    2.5    1.5    0.0
 TYR    90      3   10.5    3.5    2.5    4.5    0.0
 VAL    91      1   14.0    6.5    5.0    2.5    0.0
 HIS    92      2    8.0    4.0    1.0    3.0    0.0
 HIS    93      1    7.0    3.5    2.5    1.0    0.0
 ILE    94      4   12.0    3.5    0.0    8.5    0.0
 HIS    95      0    0.5    0.5    0.0    0.0    0.0
 LYS    96      0    2.0    0.0    0.0    2.0    0.0
 LYS    97      3    2.0    1.0    1.0    0.0    0.0
 ARG    98      0    4.5    2.0    2.5    0.0    0.0
 PHE    99      2   19.5    2.5    4.5   12.5    0.0
 LYS   100     13    9.0    6.0    3.0    0.0    0.0
 ASP   101      2   11.5    6.0    5.5    0.0    0.0
 ILE   102      5   23.5    5.5    8.5    9.5    0.0
 THR   103      3   16.0    5.5    5.5    5.0    0.0
 GLU   104      9   12.0    5.5    6.5    0.0    0.0
 SER   105      1   11.0    5.5    5.5    0.0    0.0
 VAL   106      3   26.5    4.0    9.0   13.5    0.0
 LEU   107      9   26.0    5.5   10.5   10.0    0.0
 TYR   108      2   14.0    6.0    7.0    1.0    0.0
 THR   109      1   17.5    5.0    5.0    7.5    0.0
 LEU   110      9   30.5    6.0   12.5   12.0    0.0
 HIS   111      5   20.0    6.0   11.0    3.0    0.0
 ALA   112      1   18.5    5.0    7.5    6.0    0.0
 VAL   113      2   31.0    6.5   10.0   14.5    0.0
 LYS   114     10   27.5    6.5    9.0   12.0    0.0
 ASP   115      4   11.5    4.5    6.5    0.5    0.0
 GLU   116      6   13.0    4.5    5.5    3.0    0.0
 ILE   117      5   25.0    7.5    8.0    9.5    0.0
 ALA   118      1    8.0    5.5    2.0    0.5    0.0
 ARG   119      6    5.5    1.0    3.5    1.0    0.0
 GLU   120      5    1.5    0.0    1.5    0.0    0.0
 ASP   121      0    0.0    0.0    0.0    0.0    0.0
 SER   122      0    0.0    0.0    0.0    0.0    0.0
 ARG   123      1    0.0    0.0    0.0    0.0    0.0
# TOTAL        419 1604.0  498.0  626.0  480.0    0.0

# TOTAL NUMBER OF RESTRAINTS  (CHECKING): 2023.0

List of conformationally-resticting NOE constraints

 assign ((resid   7 and name HN   ))   ( (resid   8 and name HN   )) assign ((resid   7 and name HB2  ))   ( (resid   8 and name HN   )) assign ((resid   7 and name HB1  ))   ( (resid   8 and name HN   )) assign ((resid   8 and name HN   ))   ( (resid   8 and name HB2  )) assign ((resid   8 and name HN   ))   ( (resid   8 and name HB1  )) assign ((resid   8 and name HN   ))   ( (resid   9 and name HN   )) assign ((resid   8 and name HN   ))   ( (resid  10 and name HN   )) assign ((resid   7 and name HA   ))   ( (resid   9 and name HN   )) assign ((resid   8 and name HB2  ))   ( (resid   9 and name HN   )) assign ((resid   8 and name HB1  ))   ( (resid   9 and name HN   )) assign ((resid   7 and name HA   ))   ( (resid  10 and name HN   )) assign ((resid   8 and name HA   ))   ( (resid  10 and name HN   )) assign ((resid   9 and name HN   ))   ( (resid  10 and name HN   )) assign ((resid  10 and name HN   ))   ( (resid  10 and name HB   )) assign ((resid  10 and name HN   ))   ( (resid  11 and name HN   )) assign ((resid   7 and name HA   ))   ( (resid  11 and name HN   )) assign ((resid  10 and name HB   ))   ( (resid  11 and name HN   )) assign ((resid  11 and name HN   ))   ( (resid  11 and name HB2  )) assign ((resid  11 and name HN   ))   ( (resid  11 and name HB1  )) assign ((resid  11 and name HN   ))   ( (resid  12 and name HN   )) assign ((resid   8 and name HA   ))   ( (resid  12 and name HN   )) assign ((resid   9 and name HA   ))   ( (resid  12 and name HN   )) assign ((resid  10 and name HN   ))   ( (resid  12 and name HN   )) assign ((resid  11 and name HB2  ))   ( (resid  12 and name HN   )) assign ((resid  11 and name HB1  ))   ( (resid  12 and name HN   )) assign ((resid  12 and name HN   ))   ( (resid  12 and name HB2  )) assign ((resid  12 and name HN   ))   ( (resid  12 and name HB1  )) assign ((resid  12 and name HN   ))   ( (resid  14 and name HN   )) assign ((resid  10 and name HA   ))   ( (resid  13 and name HN   )) assign ((resid  11 and name HN   ))   ( (resid  13 and name HN   )) assign ((resid  11 and name HA   ))   ( (resid  13 and name HN   )) assign ((resid  12 and name HN   ))   ( (resid  13 and name HN   )) assign ((resid  12 and name HB2  ))   ( (resid  13 and name HN   )) assign ((resid  12 and name HB1  ))   ( (resid  13 and name HN   )) assign ((resid  13 and name HN   ))   ( (resid  13 and name HB2  )) assign ((resid  13 and name HN   ))   ( (resid  13 and name HB1  )) assign ((resid  10 and name HA   ))   ( (resid  14 and name HN   )) assign ((resid  11 and name HA   ))   ( (resid  14 and name HN   )) assign ((resid  12 and name HA   ))   ( (resid  14 and name HN   )) assign ((resid  13 and name HN   ))   ( (resid  14 and name HN   )) assign ((resid  13 and name HB2  ))   ( (resid  14 and name HN   )) assign ((resid  13 and name HB1  ))   ( (resid  14 and name HN   )) assign ((resid  14 and name HN   ))   ( (resid  14 and name HB   )) assign ((resid  11 and name HA   ))   ( (resid  15 and name HN   )) assign ((resid  12 and name HA   ))   ( (resid  15 and name HN   )) assign ((resid  13 and name HN   ))   ( (resid  15 and name HN   )) assign ((resid  14 and name HN   ))   ( (resid  15 and name HN   )) assign ((resid  14 and name HB   ))   ( (resid  15 and name HN   )) assign ((resid  15 and name HN   ))   ( (resid  15 and name HB2  )) assign ((resid  15 and name HN   ))   ( (resid  15 and name HB1  )) assign ((resid  15 and name HN   ))   ( (resid  16 and name HN   )) assign ((resid  15 and name HN   ))   ( (resid  17 and name HN   )) assign ((resid  12 and name HA   ))   ( (resid  16 and name HN   )) assign ((resid  13 and name HA   ))   ( (resid  16 and name HN   )) assign ((resid  14 and name HN   ))   ( (resid  16 and name HN   )) assign ((resid  15 and name HB1  ))   ( (resid  16 and name HN   )) assign ((resid  16 and name HN   ))   ( (resid  16 and name HB   )) assign ((resid  16 and name HN   ))   ( (resid  18 and name HN   )) assign ((resid  13 and name HA   ))   ( (resid  17 and name HN   )) assign ((resid  14 and name HA   ))   ( (resid  17 and name HN   )) assign ((resid  15 and name HA   ))   ( (resid  17 and name HN   )) assign ((resid  16 and name HN   ))   ( (resid  17 and name HN   )) assign ((resid  16 and name HB   ))   ( (resid  17 and name HN   )) assign ((resid  17 and name HN   ))   ( (resid  18 and name HN   )) assign ((resid  17 and name HN   ))   ( (resid  19 and name HN   )) assign ((resid  14 and name HA   ))   ( (resid  18 and name HN   )) assign ((resid  15 and name HA   ))   ( (resid  18 and name HN   )) assign ((resid  18 and name HN   ))   ( (resid  18 and name HB2  )) assign ((resid  18 and name HN   ))   ( (resid  18 and name HB1  )) assign ((resid  18 and name HN   ))   ( (resid  19 and name HN   )) assign ((resid  15 and name HA   ))   ( (resid  19 and name HN   )) assign ((resid  16 and name HA   ))   ( (resid  19 and name HN   )) assign ((resid  18 and name HB2  ))   ( (resid  19 and name HN   )) assign ((resid  18 and name HB1  ))   ( (resid  19 and name HN   )) assign ((resid  16 and name HA   ))   ( (resid  20 and name HN   )) assign ((resid  17 and name HA   ))   ( (resid  20 and name HN   )) assign ((resid  18 and name HN   ))   ( (resid  20 and name HN   )) assign ((resid  19 and name HN   ))   ( (resid  20 and name HN   )) assign ((resid  19 and name HB1  ))   ( (resid  20 and name HN   )) assign ((resid  17 and name HA   ))   ( (resid  21 and name HN   )) assign ((resid  18 and name HA   ))   ( (resid  21 and name HN   )) assign ((resid  19 and name HN   ))   ( (resid  21 and name HN   )) assign ((resid  20 and name HN   ))   ( (resid  21 and name HN   )) assign ((resid  18 and name HA   ))   ( (resid  22 and name HN   )) assign ((resid  20 and name HN   ))   ( (resid  22 and name HN   )) assign ((resid  20 and name HA2  ))   ( (resid  22 and name HN   )) assign ((resid  21 and name HN   ))   ( (resid  22 and name HN   )) assign ((resid  22 and name HN   ))   ( (resid  22 and name HB*  )) assign ((resid  22 and name HN   ))   ( (resid  23 and name HN   )) assign ((resid  19 and name HA   ))   ( (resid  23 and name HN   )) assign ((resid  20 and name HA2  ))   ( (resid  23 and name HN   )) assign ((resid  21 and name HN   ))   ( (resid  23 and name HN   )) assign ((resid  21 and name HA   ))   ( (resid  23 and name HN   )) assign ((resid  23 and name HN   ))   ( (resid  23 and name HB1  )) assign ((resid  23 and name HN   ))   ( (resid  23 and name HB2  )) assign ((resid  20 and name HA2  ))   ( (resid  24 and name HN   )) assign ((resid  21 and name HA   ))   ( (resid  24 and name HN   )) assign ((resid  22 and name HN   ))   ( (resid  24 and name HN   )) assign ((resid  22 and name HA   ))   ( (resid  24 and name HN   )) assign ((resid  23 and name HN   ))   ( (resid  24 and name HN   )) assign ((resid  23 and name HB1  ))   ( (resid  24 and name HN   )) assign ((resid  23 and name HB2  ))   ( (resid  24 and name HN   )) assign ((resid  24 and name HN   ))   ( (resid  24 and name HB2  )) assign ((resid  24 and name HN   ))   ( (resid  24 and name HB1  )) assign ((resid  24 and name HN   ))   ( (resid  25 and name HN   )) assign ((resid  21 and name HA   ))   ( (resid  25 and name HN   )) assign ((resid  23 and name HA   ))   ( (resid  25 and name HN   )) assign ((resid  24 and name HB2  ))   ( (resid  25 and name HN   )) assign ((resid  24 and name HB1  ))   ( (resid  25 and name HN   )) assign ((resid  25 and name HN   ))   ( (resid  25 and name HB1  )) assign ((resid  23 and name HA   ))   ( (resid  26 and name HN   )) assign ((resid  24 and name HN   ))   ( (resid  26 and name HN   )) assign ((resid  24 and name HA   ))   ( (resid  26 and name HN   )) assign ((resid  25 and name HN   ))   ( (resid  26 and name HN   )) assign ((resid  25 and name HB2  ))   ( (resid  26 and name HN   )) assign ((resid  36 and name HB2  ))   ( (resid  37 and name HN   )) assign ((resid  36 and name HB1  ))   ( (resid  37 and name HN   )) assign ((resid  37 and name HN   ))   ( (resid  38 and name HN   )) assign ((resid  38 and name HN   ))   ( (resid  39 and name HN   )) assign ((resid  39 and name HN   ))   ( (resid  39 and name HB   )) assign ((resid  39 and name HN   ))   ( (resid  40 and name HN   )) assign ((resid  39 and name HB   ))   ( (resid  40 and name HN   )) assign ((resid  40 and name HN   ))   ( (resid  40 and name HB   )) assign ((resid  40 and name HN   ))   ( (resid  41 and name HN   )) assign ((resid  40 and name HB   ))   ( (resid  41 and name HN   )) assign ((resid  42 and name HB2  ))   ( (resid  43 and name HN   )) assign ((resid  43 and name HN   ))   ( (resid  44 and name HN   )) assign ((resid  44 and name HN   ))   ( (resid  44 and name HB   )) assign ((resid  44 and name HN   ))   ( (resid  46 and name HN   )) assign ((resid  43 and name HN   ))   ( (resid  45 and name HN   )) assign ((resid  43 and name HA   ))   ( (resid  45 and name HN   )) assign ((resid  44 and name HN   ))   ( (resid  45 and name HN   )) assign ((resid  44 and name HB   ))   ( (resid  45 and name HN   )) assign ((resid  45 and name HN   ))   ( (resid  45 and name HB1  )) assign ((resid  45 and name HN   ))   ( (resid  45 and name HB2  )) assign ((resid  45 and name HN   ))   ( (resid  46 and name HN   )) assign ((resid  45 and name HN   ))   ( (resid  47 and name HN   )) assign ((resid  44 and name HA   ))   ( (resid  46 and name HN   )) assign ((resid  45 and name HB1  ))   ( (resid  46 and name HN   )) assign ((resid  45 and name HB2  ))   ( (resid  46 and name HN   )) assign ((resid  46 and name HN   ))   ( (resid  46 and name HB2  )) assign ((resid  46 and name HN   ))   ( (resid  46 and name HB1  )) assign ((resid  43 and name HA   ))   ( (resid  47 and name HN   )) assign ((resid  44 and name HA   ))   ( (resid  47 and name HN   )) assign ((resid  45 and name HA   ))   ( (resid  47 and name HN   )) assign ((resid  46 and name HN   ))   ( (resid  47 and name HN   )) assign ((resid  46 and name HB2  ))   ( (resid  47 and name HN   )) assign ((resid  47 and name HN   ))   ( (resid  47 and name HB2  )) assign ((resid  47 and name HN   ))   ( (resid  47 and name HB1  )) assign ((resid  47 and name HN   ))   ( (resid  48 and name HN   )) assign ((resid  47 and name HN   ))   ( (resid  49 and name HN   )) assign ((resid  44 and name HA   ))   ( (resid  48 and name HN   )) assign ((resid  45 and name HA   ))   ( (resid  48 and name HN   )) assign ((resid  46 and name HN   ))   ( (resid  48 and name HN   )) assign ((resid  46 and name HA   ))   ( (resid  48 and name HN   )) assign ((resid  47 and name HB2  ))   ( (resid  48 and name HN   )) assign ((resid  47 and name HB1  ))   ( (resid  48 and name HN   )) assign ((resid  48 and name HN   ))   ( (resid  48 and name HB2  )) assign ((resid  48 and name HN   ))   ( (resid  48 and name HB1  )) assign ((resid  48 and name HN   ))   ( (resid  49 and name HN   )) assign ((resid  48 and name HN   ))   ( (resid  50 and name HN   )) assign ((resid  45 and name HA   ))   ( (resid  49 and name HN   )) assign ((resid  47 and name HA   ))   ( (resid  49 and name HN   )) assign ((resid  48 and name HB2  ))   ( (resid  49 and name HN   )) assign ((resid  48 and name HB1  ))   ( (resid  49 and name HN   )) assign ((resid  46 and name HA   ))   ( (resid  50 and name HN   )) assign ((resid  47 and name HA   ))   ( (resid  50 and name HN   )) assign ((resid  48 and name HA   ))   ( (resid  50 and name HN   )) assign ((resid  49 and name HN   ))   ( (resid  50 and name HN   )) assign ((resid  49 and name HB*  ))   ( (resid  50 and name HN   )) assign ((resid  50 and name HN   ))   ( (resid  50 and name HB2  )) assign ((resid  50 and name HN   ))   ( (resid  50 and name HB1  )) assign ((resid  47 and name HA   ))   ( (resid  51 and name HN   )) assign ((resid  49 and name HN   ))   ( (resid  51 and name HN   )) assign ((resid  49 and name HA   ))   ( (resid  51 and name HN   )) assign ((resid  50 and name HN   ))   ( (resid  51 and name HN   )) assign ((resid  50 and name HB2  ))   ( (resid  51 and name HN   )) assign ((resid  50 and name HB1  ))   ( (resid  51 and name HN   )) assign ((resid  48 and name HA   ))   ( (resid  52 and name HN   )) assign ((resid  50 and name HN   ))   ( (resid  52 and name HN   )) assign ((resid  50 and name HA   ))   ( (resid  52 and name HN   )) assign ((resid  51 and name HN   ))   ( (resid  52 and name HN   )) assign ((resid  51 and name HA   ))   ( (resid  52 and name HN   )) assign ((resid  52 and name HN   ))   ( (resid  54 and name HN   )) assign ((resid  49 and name HA   ))   ( (resid  53 and name HN   )) assign ((resid  50 and name HA   ))   ( (resid  53 and name HN   )) assign ((resid  51 and name HN   ))   ( (resid  53 and name HN   )) assign ((resid  52 and name HN   ))   ( (resid  53 and name HN   )) assign ((resid  53 and name HN   ))   ( (resid  53 and name HB2  )) assign ((resid  53 and name HN   ))   ( (resid  53 and name HB1  )) assign ((resid  53 and name HN   ))   ( (resid  54 and name HN   )) assign 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and name HN   ))   ( (resid  59 and name HG   )) assign ((resid  59 and name HG   ))   ( (resid  60 and name HN   )) assign ((resid  61 and name HN   ))   ( (resid  61 and name HG   )) assign ((resid  62 and name HN   ))   ( (resid  62 and name HG1* )) assign ((resid  62 and name HG1* ))   ( (resid  63 and name HN   )) assign ((resid  63 and name HG1  ))   ( (resid  64 and name HN   )) assign ((resid  63 and name HD2  ))   ( (resid  64 and name HN   )) assign ((resid  63 and name HD1  ))   ( (resid  64 and name HN   )) assign ((resid  72 and name HG*  ))   ( (resid  73 and name HN   )) assign ((resid  74 and name HG1  ))   ( (resid  75 and name HN   )) assign ((resid  75 and name HN   ))   ( (resid  75 and name HG12 )) assign ((resid  75 and name HN   ))   ( (resid  75 and name HG11 )) assign ((resid  75 and name HG12 ))   ( (resid  76 and name HN   )) assign ((resid  75 and name HG11 ))   ( (resid  76 and name HN   )) assign ((resid  76 and name HN   ))   ( (resid  76 and name HG2  )) assign ((resid  76 and name HN   ))   ( (resid  76 and name HG1  )) assign ((resid  76 and name HG2  ))   ( (resid  77 and name HN   )) assign ((resid  76 and name HG1  ))   ( (resid  77 and name HN   )) assign ((resid  79 and name HN   ))   ( (resid  79 and name HG2  )) assign ((resid  79 and name HN   ))   ( (resid  79 and name HG1  )) assign ((resid  79 and name HG1  ))   ( (resid  80 and name HN   )) assign ((resid  79 and name HD2  ))   ( (resid  80 and name HN   )) assign ((resid  79 and name HD1  ))   ( (resid  80 and name HN   )) assign ((resid  81 and name HA   ))   ( (resid  81 and name HD21 )) assign ((resid  81 and name HA   ))   ( (resid  81 and name HD22 )) assign ((resid  82 and name HD*  ))   ( (resid  83 and name HN   )) assign ((resid  83 and name HN   ))   ( (resid  83 and name HG   )) assign ((resid  83 and name HG   ))   ( (resid  84 and name HN   )) assign ((resid  84 and name HG*  ))   ( (resid  85 and name HN   )) assign ((resid  85 and name HN   ))   ( (resid  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name HE1  )) assign ((resid  10 and name HA   ))   ( (resid  54 and name HE1  )) assign ((resid  54 and name HE3  ))   ( (resid  55 and name HN   )) assign ((resid  74 and name HE22 ))   ( (resid 108 and name HE*  )) assign ((resid  74 and name HE21 ))   ( (resid 108 and name HE*  )) assign ((resid  54 and name HZ3  ))   ( (resid  78 and name HN   )) assign ((resid  78 and name HA   ))   ( (resid  81 and name HD21 )) assign ((resid  78 and name HA   ))   ( (resid  81 and name HD22 )) assign ((resid  89 and name HN   ))   ( (resid  99 and name HE*  )) assign ((resid  90 and name HN   ))   ( (resid  90 and name HE*  )) assign ((resid  24 and name HD*  ))   ( (resid  92 and name HN   )) assign ((resid  24 and name HE*  ))   ( (resid  92 and name HN   )) assign ((resid  85 and name HG   ))   ( (resid 103 and name HN   )) assign ((resid 103 and name HN   ))   ( (resid 103 and name HG1  )) assign ((resid 109 and name HN   ))   ( (resid 110 and name HG   )) assign ((resid  13 and name HG*  )) 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(resid  78 and name HB   )) assign ((resid  79 and name HA   ))   ( (resid  82 and name HB1  )) assign ((resid  79 and name HA   ))   ( (resid  82 and name HB2  )) assign ((resid  81 and name HA   ))   ( (resid  84 and name HB*  )) assign ((resid  82 and name HA   ))   ( (resid  85 and name HB2  )) assign ((resid  83 and name HA   ))   ( (resid  86 and name HB   )) assign ((resid  80 and name HA   ))   ( (resid  83 and name HB1  )) assign ((resid  83 and name HN   ))   ( (resid  83 and name HB1  )) assign ((resid  80 and name HA   ))   ( (resid  83 and name HB2  )) assign ((resid  84 and name HA   ))   ( (resid  87 and name HB1  )) assign ((resid  84 and name HA   ))   ( (resid  87 and name HB2  )) assign ((resid  82 and name HA   ))   ( (resid  85 and name HB1  )) assign ((resid  85 and name HB1  ))   ( (resid  86 and name HN   )) assign ((resid  86 and name HA   ))   ( (resid  89 and name HN   )) assign ((resid  87 and name HN   ))   ( (resid  87 and name HB1  )) assign ((resid  99 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assign ((resid 102 and name HA   ))   ( (resid 105 and name HB*  )) assign ((resid 105 and name HN   ))   ( (resid 105 and name HB*  )) assign ((resid 105 and name HB*  ))   ( (resid 106 and name HN   )) assign ((resid 106 and name HA   ))   ( (resid 109 and name HB   )) assign ((resid 107 and name HA   ))   ( (resid 110 and name HN   )) assign ((resid 107 and name HA   ))   ( (resid 110 and name HB2  )) assign ((resid 107 and name HA   ))   ( (resid 110 and name HB1  )) assign ((resid 108 and name HA   ))   ( (resid 111 and name HB2  )) assign ((resid 111 and name HA   ))   ( (resid 114 and name HB2  )) assign ((resid 111 and name HA   ))   ( (resid 114 and name HB1  )) assign ((resid 108 and name HA   ))   ( (resid 111 and name HB1  )) assign ((resid 113 and name HA   ))   ( (resid 116 and name HN   )) assign ((resid 113 and name HA   ))   ( (resid 116 and name HB1  )) assign ((resid 110 and name HA   ))   ( (resid 113 and name HB   )) assign ((resid 114 and name HA   ))   ( (resid 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name HG1  )) assign ((resid  19 and name HN   ))   ( (resid  19 and name HD*  )) assign ((resid  19 and name HA   ))   ( (resid  19 and name HD*  )) assign ((resid  19 and name HN   ))   ( (resid  19 and name HE*  )) assign ((resid  19 and name HB2  ))   ( (resid  19 and name HE*  )) assign ((resid  26 and name HA   ))   ( (resid  26 and name HG2  )) assign ((resid  26 and name HA   ))   ( (resid  26 and name HG1  )) assign ((resid  38 and name HN   ))   ( (resid  38 and name HG2  )) assign ((resid  38 and name HA   ))   ( (resid  38 and name HG2  )) assign ((resid  38 and name HN   ))   ( (resid  38 and name HG1  )) assign ((resid  38 and name HA   ))   ( (resid  38 and name HG1  )) assign ((resid  38 and name HG1  ))   ( (resid  39 and name HN   )) assign ((resid  45 and name HA   ))   ( (resid  45 and name HG2  )) assign ((resid  45 and name HN   ))   ( (resid  45 and name HG1  )) assign ((resid  45 and name HA   ))   ( (resid  45 and name HG1  )) assign ((resid  45 and name HG1  )) 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)) assign ((resid  65 and name HA   ))   ( (resid  65 and name HD*  )) assign ((resid  71 and name HA   ))   ( (resid  71 and name HD2  )) assign ((resid  72 and name HA   ))   ( (resid  72 and name HD*  )) assign ((resid  72 and name HB2  ))   ( (resid  72 and name HE*  )) assign ((resid  72 and name HB1  ))   ( (resid  72 and name HE*  )) assign ((resid  73 and name HA   ))   ( (resid  73 and name HG1  )) assign ((resid  73 and name HN   ))   ( (resid  73 and name HG2  )) assign ((resid  73 and name HA   ))   ( (resid  73 and name HG2  )) assign ((resid  73 and name HG2  ))   ( (resid  74 and name HN   )) assign ((resid  73 and name HN   ))   ( (resid  73 and name HG1  )) assign ((resid  73 and name HG1  ))   ( (resid  74 and name HN   )) assign ((resid  74 and name HN   ))   ( (resid  74 and name HG2  )) assign ((resid  74 and name HA   ))   ( (resid  74 and name HG2  )) assign ((resid  74 and name HG2  ))   ( (resid  75 and name HN   )) assign ((resid  74 and name HN   ))   ( (resid  74 and name HG1  )) assign ((resid  74 and name HA   ))   ( (resid  74 and name HG1  )) assign ((resid  76 and name HA   ))   ( (resid  76 and name HG2  )) assign ((resid  76 and name HA   ))   ( (resid  76 and name HG1  )) assign ((resid  79 and name HG2  ))   ( (resid  80 and name HN   )) assign ((resid  79 and name HN   ))   ( (resid  79 and name HD2  )) assign ((resid  79 and name HA   ))   ( (resid  79 and name HD2  )) assign ((resid  79 and name HN   ))   ( (resid  79 and name HD1  )) assign ((resid  79 and name HA   ))   ( (resid  79 and name HD1  )) assign ((resid  79 and name HB2  ))   ( (resid  79 and name HE*  )) assign ((resid  79 and name HB1  ))   ( (resid  79 and name HE*  )) assign ((resid  97 and name HB*  ))   ( (resid  97 and name HE*  )) assign ((resid  97 and name HG*  ))   ( (resid  98 and name HN   )) assign ((resid  97 and name HA   ))   ( (resid  97 and name HD*  )) assign ((resid  97 and name HA   ))   ( (resid  97 and name HE*  )) assign ((resid 100 and name HN   ))   ( (resid 100 and name HG2  )) assign ((resid 100 and name HN   ))   ( (resid 100 and name HG1  )) assign ((resid 100 and name HG1  ))   ( (resid 101 and name HN   )) assign ((resid 100 and name HA   ))   ( (resid 100 and name HD2  )) assign ((resid 100 and name HA   ))   ( (resid 100 and name HD1  )) assign ((resid 100 and name HA   ))   ( (resid 100 and name HE*  )) assign ((resid 100 and name HB2  ))   ( (resid 100 and name HE*  )) assign ((resid 100 and name HB1  ))   ( (resid 100 and name HE*  )) assign ((resid 102 and name HG12 ))   ( (resid 103 and name HN   )) assign ((resid 104 and name HN   ))   ( (resid 104 and name HG2  )) assign ((resid 104 and name HA   ))   ( (resid 104 and name HG2  )) assign ((resid 104 and name HG2  ))   ( (resid 105 and name HN   )) assign ((resid 104 and name HN   ))   ( (resid 104 and name HG1  )) assign ((resid 104 and name HA   ))   ( (resid 104 and name HG1  )) assign ((resid 104 and name HG1  ))   ( (resid 105 and name HN   )) assign ((resid 107 and name HA   ))   ( (resid 107 and name HG   )) assign ((resid 110 and name HA   ))   ( (resid 110 and name HG   )) assign ((resid 114 and name HA   ))   ( (resid 114 and name HD*  )) assign ((resid 114 and name HG2  ))   ( (resid 115 and name HN   )) assign ((resid 114 and name HG1  ))   ( (resid 115 and name HN   )) assign ((resid 119 and name HA   ))   ( (resid 119 and name HD*  )) assign ((resid  13 and name HA   ))   ( (resid  82 and name HE*  )) assign ((resid  14 and name HG1* ))   ( (resid 111 and name HA   )) assign ((resid  14 and name HG1* ))   ( (resid 114 and name HE*  )) assign ((resid  15 and name HG1  ))   ( (resid  19 and name HE*  )) assign ((resid  15 and name HG2  ))   ( (resid  19 and name HE*  )) assign ((resid  15 and name HG1  ))   ( (resid  19 and name HD*  )) assign ((resid  15 and name HG2  ))   ( (resid  19 and name HD*  )) assign ((resid  21 and name HA   ))   ( (resid  99 and name HE*  )) assign ((resid  21 and name HA   ))   ( (resid  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name HD*  )) assign ((resid  60 and name HA   ))   ( (resid  63 and name HG1  )) assign ((resid  60 and name HA   ))   ( (resid  63 and name HD1  )) assign ((resid  60 and name HA   ))   ( (resid  63 and name HG2  )) assign ((resid   7 and name HA   ))   ( (resid  10 and name HG1  )) assign ((resid 120 and name HA   ))   ( (resid 120 and name HG2  )) assign ((resid 120 and name HA   ))   ( (resid 120 and name HG1  )) assign ((resid  71 and name HN   ))   ( (resid  71 and name HD2  )) assign ((resid  34 and name HD*  ))   ( (resid  90 and name HA   )) assign ((resid  92 and name HA   ))   ( (resid  92 and name HD2  )) assign ((resid  92 and name HN   ))   ( (resid  92 and name HD2  )) assign ((resid  93 and name HA   ))   ( (resid  93 and name HD2  )) assign ((resid 111 and name HA   ))   ( (resid 111 and name HD2  )) assign ((resid 111 and name HN   ))   ( (resid 111 and name HD2  )) assign ((resid  24 and name HD*  ))   ( (resid  92 and name HA   )) assign ((resid  24 and name HD*  )) 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assign ((resid  55 and name HN   ))   ( (resid  55 and name HB*  )) assign ((resid  55 and name HB*  ))   ( (resid  56 and name HN   )) assign ((resid  55 and name HA   ))   ( (resid  58 and name HB*  )) assign ((resid  59 and name HN   ))   ( (resid  59 and name HD1* )) assign ((resid  59 and name HA   ))   ( (resid  59 and name HD1* )) assign ((resid  59 and name HB1  ))   ( (resid  59 and name HD1* )) assign ((resid  59 and name HD1* ))   ( (resid  60 and name HN   )) assign ((resid  59 and name HN   ))   ( (resid  59 and name HD2* )) assign ((resid  59 and name HA   ))   ( (resid  59 and name HD2* )) assign ((resid  61 and name HA   ))   ( (resid  61 and name HD2* )) assign ((resid  61 and name HN   ))   ( (resid  61 and name HD1* )) assign ((resid  61 and name HA   ))   ( (resid  61 and name HD1* )) assign ((resid  62 and name HN   ))   ( (resid  62 and name HG2* )) assign ((resid  62 and name HG2* ))   ( (resid  63 and name HN   )) assign ((resid  62 and name HN   ))   ( (resid  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HD1* ))   ( (resid  76 and name HN   )) assign ((resid  74 and name HA   ))   ( (resid  77 and name HB*  )) assign ((resid  77 and name HN   ))   ( (resid  77 and name HB*  )) assign ((resid  78 and name HG1* ))   ( (resid  79 and name HN   )) assign ((resid  78 and name HA   ))   ( (resid  78 and name HG2* )) assign ((resid  78 and name HG2* ))   ( (resid  79 and name HN   )) assign ((resid  83 and name HN   ))   ( (resid  83 and name HD2* )) assign ((resid  83 and name HA   ))   ( (resid  83 and name HD2* )) assign ((resid  83 and name HB1  ))   ( (resid  83 and name HD2* )) assign ((resid  83 and name HD2* ))   ( (resid  84 and name HN   )) assign ((resid  83 and name HN   ))   ( (resid  83 and name HD1* )) assign ((resid  83 and name HA   ))   ( (resid  83 and name HD1* )) assign ((resid  83 and name HB1  ))   ( (resid  83 and name HD1* )) assign ((resid  83 and name HD1* ))   ( (resid  84 and name HN   )) assign ((resid  85 and name HA   ))   ( (resid  85 and name HD2* )) assign ((resid  85 and name HD2* ))   ( (resid  86 and name HN   )) assign ((resid  86 and name HN   ))   ( (resid  86 and name HG2* )) assign ((resid  86 and name HG2* ))   ( (resid  87 and name HN   )) assign ((resid  86 and name HG1* ))   ( (resid  87 and name HN   )) assign ((resid  87 and name HA   ))   ( (resid  87 and name HD1* )) assign ((resid  87 and name HA   ))   ( (resid  87 and name HD2* )) assign ((resid  87 and name HD2* ))   ( (resid  88 and name HN   )) assign ((resid  91 and name HG1* ))   ( (resid  92 and name HN   )) assign ((resid  91 and name HN   ))   ( (resid  91 and name HG2* )) assign ((resid  91 and name HG2* ))   ( (resid  92 and name HN   )) assign ((resid  94 and name HN   ))   ( (resid  94 and name HG2* )) assign ((resid 102 and name HN   ))   ( (resid 102 and name HG2* )) assign ((resid 102 and name HN   ))   ( (resid 102 and name HD1* )) assign ((resid 102 and name HD1* ))   ( (resid 103 and name HN   )) assign ((resid 103 and name HN   ))   ( (resid 103 and name HG2* )) assign ((resid 103 and name HG2* ))   ( (resid 104 and name HN   )) assign ((resid 106 and name HG1* ))   ( (resid 107 and name HN   )) assign ((resid 106 and name HN   ))   ( (resid 106 and name HG2* )) assign ((resid 106 and name HA   ))   ( (resid 106 and name HG2* )) assign ((resid 106 and name HG2* ))   ( (resid 107 and name HN   )) assign ((resid 107 and name HN   ))   ( (resid 107 and name HD2* )) assign ((resid 107 and name HA   ))   ( (resid 107 and name HD2* )) assign ((resid 107 and name HB1  ))   ( (resid 107 and name HD2* )) assign ((resid 107 and name HD2* ))   ( (resid 108 and name HN   )) assign ((resid 107 and name HN   ))   ( (resid 107 and name HD1* )) assign ((resid 107 and name HA   ))   ( (resid 107 and name HD1* )) assign ((resid 107 and name HD1* ))   ( (resid 108 and name HN   )) assign ((resid 110 and name HA   ))   ( (resid 110 and name HD2* )) assign ((resid 110 and name HD2* ))   ( (resid 111 and name HN   )) assign ((resid 110 and name HA   ))   ( (resid 110 and name HD1* )) assign ((resid 110 and name HD1* ))   ( (resid 111 and name HN   )) assign ((resid 109 and name HA   ))   ( (resid 112 and name HB*  )) assign ((resid 112 and name HN   ))   ( (resid 112 and name HB*  )) assign ((resid 112 and name HB*  ))   ( (resid 113 and name HN   )) assign ((resid 113 and name HN   ))   ( (resid 113 and name HG2* )) assign ((resid 115 and name HA   ))   ( (resid 118 and name HB*  )) assign ((resid   7 and name HD1* ))   ( (resid  10 and name HB   )) assign ((resid   7 and name HD1* ))   ( (resid 114 and name HA   )) assign ((resid   7 and name HD1* ))   ( (resid  10 and name HG1  )) assign ((resid   7 and name HD2* ))   ( (resid  11 and name HG2  )) assign ((resid   7 and name HD2* ))   ( (resid  11 and name HG1  )) assign ((resid   7 and name HD1* ))   ( (resid   8 and name HA   )) assign ((resid   6 and name HD1* ))   ( (resid   9 and name HE*  )) assign ((resid   9 and name HE*  ))   ( (resid  57 and name HA1  )) assign ((resid   6 and name HA   ))   ( (resid   9 and name HE*  )) assign ((resid   9 and name HE*  ))   ( (resid  57 and name HA2  )) assign ((resid   9 and name HE*  ))   ( (resid  58 and name HN   )) assign ((resid   9 and name HE*  ))   ( (resid  54 and name HN   )) assign ((resid   9 and name HE*  ))   ( (resid  57 and name HN   )) assign ((resid  10 and name HG2* ))   ( (resid 110 and name HA   )) assign ((resid   7 and name HA   ))   ( (resid  10 and name HG2* )) assign ((resid  10 and name HG2* ))   ( (resid  54 and name HE1  )) assign ((resid  10 and name HG2* ))   ( (resid 114 and name HN   )) assign ((resid  10 and name HG2* ))   ( (resid  13 and name HN   )) assign ((resid  10 and name HG2* ))   ( (resid 113 and name HB   )) assign ((resid  10 and name HG2* ))   ( (resid 114 and name HB1  )) assign ((resid  10 and name HG2* ))   ( (resid 114 and name HB2  )) assign ((resid  10 and name HG2* ))   ( (resid 114 and name HG1  )) assign ((resid  10 and name HG2* ))   ( (resid  14 and name HD1* )) assign ((resid   7 and name HD1* ))   ( (resid  11 and name HG2  )) assign ((resid   7 and name HD1* ))   ( (resid  11 and name HG1  )) assign ((resid  12 and name HG2  ))   ( (resid  16 and name HG2* )) assign ((resid  12 and name HG1  ))   ( (resid  16 and name HG2* )) assign ((resid  12 and name HG1  ))   ( (resid  50 and name HD2* )) assign ((resid  12 and name HG2  ))   ( (resid  50 and name HD2* )) assign ((resid  12 and name HB1  ))   ( (resid  50 and name HD2* )) assign ((resid  12 and name HB2  ))   ( (resid  50 and name HD2* )) assign ((resid  13 and name HE*  ))   ( (resid  50 and name HB2  )) assign ((resid  13 and name HE*  ))   ( (resid  82 and name HB2  )) assign ((resid  13 and name HE*  ))   ( (resid  82 and name HB1  )) assign ((resid  13 and name HE*  ))   ( (resid  51 and name HA   )) assign ((resid  13 and name HE*  ))   ( (resid  82 and name HE*  )) assign ((resid  13 and name HE*  ))   ( (resid  82 and name HD*  )) assign ((resid  11 and name HN   ))   ( (resid  14 and name HD1* )) assign ((resid  14 and name HG2* ))   ( (resid 111 and name HN   )) assign ((resid  14 and name HG2* ))   ( (resid  17 and name HN   )) assign ((resid  11 and name HA   ))   ( (resid  14 and name HD1* )) assign ((resid  11 and name HA   ))   ( (resid  14 and name HG2* )) assign ((resid  14 and name HG2* ))   ( (resid 111 and name HA   )) assign ((resid  14 and name HG2* ))   ( (resid  15 and name HA   )) assign ((resid  14 and name HG2* ))   ( (resid 107 and name HD2* )) assign ((resid  14 and name HD1* ))   ( (resid 114 and name HG2  )) assign ((resid  14 and name HD1* ))   ( (resid 114 and name HB1  )) assign ((resid  14 and name HG2* ))   ( (resid  18 and name HG2  )) assign ((resid  14 and name HG2* ))   ( (resid  18 and name HB2  )) assign ((resid  14 and name HG2* ))   ( (resid  18 and name HG1  )) assign ((resid  10 and name HG2* ))   ( (resid  14 and name HG2* )) assign ((resid  13 and name HE*  ))   ( (resid 110 and name HD2* )) assign ((resid  14 and name HG2* ))   ( (resid 110 and name HD1* )) assign ((resid  14 and name HA   ))   ( (resid 110 and name HD1* )) assign ((resid  14 and name HD1* ))   ( (resid 110 and name HD1* )) assign ((resid  16 and name HG1* ))   ( (resid  82 and name HE*  )) assign ((resid  16 and name HG1* ))   ( (resid  82 and name HZ   )) assign ((resid  16 and name HG1* ))   ( (resid  82 and name HD*  )) assign ((resid  16 and name HG2* ))   ( (resid  47 and name HD21 )) assign ((resid  12 and name HE21 ))   ( (resid  16 and name HG2* )) assign ((resid  16 and name HG2* ))   ( (resid  82 and name HZ   )) assign ((resid  12 and name HE22 ))   ( (resid  16 and name HG2* )) assign ((resid  13 and name HA   ))   ( (resid  16 and name HG2* )) assign ((resid  13 and name HA   ))   ( (resid  16 and name HG1* )) assign ((resid  16 and name HG1* ))   ( (resid  17 and name HA   )) assign ((resid  12 and name HA   ))   ( (resid  16 and name HG2* )) assign ((resid  16 and name HG1* ))   ( (resid  86 and name HG2* )) assign ((resid  16 and name HG2* ))   ( (resid  86 and name HG2* )) assign ((resid  17 and name HB*  ))   ( (resid  82 and name HE*  )) assign ((resid  17 and name HB*  ))   ( (resid  82 and name HD*  )) assign ((resid  17 and name HB*  ))   ( (resid  21 and name HB*  )) assign ((resid  17 and name HB*  ))   ( (resid 106 and name HB   )) assign ((resid  17 and name HB*  ))   ( (resid  18 and name HB2  )) assign ((resid  17 and name HB*  ))   ( (resid 107 and name HD2* )) assign ((resid  17 and name HB*  ))   ( (resid 107 and name HD1* )) assign ((resid  17 and name HB*  ))   ( (resid  85 and name HD2* )) assign ((resid  17 and name HB*  ))   ( (resid 110 and name HD1* )) assign ((resid  18 and name HA   ))   ( (resid 107 and name HD2* )) assign ((resid  18 and name HG1  ))   ( (resid 107 and name HD2* )) assign ((resid  20 and name HA1  ))   ( (resid  85 and name HD2* )) assign ((resid  20 and name HA2  ))   ( (resid  85 and name HD2* )) assign ((resid  21 and name HB*  ))   ( (resid  99 and name HE*  )) assign ((resid  21 and name HB*  ))   ( (resid  99 and name HZ   )) assign ((resid  21 and name HB*  ))   ( (resid  85 and name HD2* )) assign ((resid  21 and name HB*  ))   ( (resid 107 and name HD1* )) assign ((resid  21 and name HA   ))   ( (resid  85 and name HD2* )) assign ((resid  21 and name HB*  ))   ( (resid  22 and name HA   )) assign ((resid  34 and name HD*  ))   ( (resid  39 and name HG2* )) assign ((resid  39 and name HG2* ))   ( (resid  90 and name HE*  )) assign ((resid  39 and name HG2* ))   ( (resid  90 and name HD*  )) assign ((resid  39 and name HG2* ))   ( (resid  40 and name HA   )) assign ((resid  34 and name HB*  ))   ( (resid  39 and name HG2* )) assign ((resid  40 and name HG2* ))   ( (resid  90 and name HB2  )) assign ((resid  40 and name HD1* ))   ( (resid  90 and name HB2  )) assign ((resid  37 and name HA   ))   ( (resid  40 and name HD1* )) assign ((resid  37 and name HA   ))   ( (resid  40 and name HG2* )) assign ((resid  36 and name HD*  ))   ( (resid  40 and name HD1* )) assign ((resid  36 and name HD*  ))   ( (resid  40 and name HG2* )) assign ((resid  36 and name HE*  ))   ( (resid  40 and name HG2* )) assign ((resid  40 and name HG2* ))   ( (resid  41 and name HN   )) assign ((resid  37 and name HD*  ))   ( (resid  40 and name HG2* )) assign ((resid  40 and name HD1* ))   ( (resid  41 and name HN   )) assign ((resid  43 and name HB*  ))   ( (resid  47 and name HD21 )) assign ((resid  43 and name HB*  ))   ( (resid  47 and name HN   )) assign ((resid  43 and name HB*  ))   ( (resid  90 and name HE*  )) assign ((resid  43 and name HB*  ))   ( (resid  46 and name HB2  )) assign ((resid  43 and name HB*  ))   ( (resid  46 and name HB1  )) assign ((resid  40 and name HA   ))   ( (resid  43 and name HB*  )) assign ((resid  43 and name HB*  ))   ( (resid  47 and name HB2  )) assign ((resid  43 and name HB*  ))   ( (resid  86 and name HG1* )) assign ((resid  43 and name HB*  ))   ( (resid  86 and name HG2* )) assign ((resid  41 and name HA   ))   ( (resid  44 and name HG2* )) assign ((resid  41 and name HA   ))   ( (resid  44 and name HG1* )) assign ((resid  63 and name HE*  ))   ( (resid  64 and name HG1* )) assign ((resid  43 and name HB*  ))   ( (resid  46 and name HG*  )) assign ((resid  49 and name HG1  ))   ( (resid  52 and name HB*  )) assign ((resid  49 and name HG2  ))   ( (resid  52 and name HB*  )) assign ((resid  13 and name HN   ))   ( (resid  50 and name HD1* )) assign ((resid   9 and name HG2  ))   ( (resid  50 and name HD1* )) assign ((resid   9 and name HB*  ))   ( (resid  50 and name HD1* )) assign ((resid   9 and name HG1  ))   ( (resid  50 and name HD1* )) assign ((resid  46 and name HB2  ))   ( (resid  50 and name HD1* )) assign ((resid  46 and name HG*  ))   ( (resid  50 and name HD1* )) assign ((resid  16 and name HG2* ))   ( (resid  50 and name HD2* )) assign ((resid  51 and name HB*  ))   ( (resid  83 and name HD1* )) assign ((resid  51 and name HB*  ))   ( (resid  79 and name HE*  )) assign ((resid  51 and name HB*  ))   ( (resid  79 and name HA   )) assign ((resid  51 and name HB*  ))   ( (resid  82 and name HE*  )) assign ((resid  51 and name HB*  ))   ( (resid  82 and name HD*  )) assign ((resid  51 and name HB*  ))   ( (resid  55 and name HN   )) assign ((resid   9 and name HE*  ))   ( (resid  54 and name HA   )) assign ((resid   6 and name HD1* ))   ( (resid  54 and name HA   )) assign ((resid  55 and name HB*  ))   ( (resid  58 and name HB*  )) assign ((resid  55 and name HB*  ))   ( (resid  75 and name HD1* )) assign ((resid  55 and name HB*  ))   ( (resid  75 and name HG2* )) assign ((resid  54 and name HZ3  ))   ( (resid  55 and name HB*  )) assign ((resid  54 and name HE3  ))   ( (resid  55 and name HB*  )) assign ((resid  55 and name HB*  ))   ( (resid  59 and name HN   )) assign ((resid  55 and name HB*  ))   ( (resid  79 and name HN   )) assign ((resid  56 and name HA   ))   ( (resid  59 and name HD1* )) assign ((resid  56 and name HG2  )) 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60 and name HG*  ))   ( (resid  64 and name HG1* )) assign ((resid  60 and name HG*  ))   ( (resid  61 and name HD1* )) assign ((resid  61 and name HD1* ))   ( (resid 117 and name HA   )) assign ((resid  61 and name HD2* ))   ( (resid 117 and name HA   )) assign ((resid   6 and name HD2* ))   ( (resid  61 and name HD2* )) assign ((resid  59 and name HA   ))   ( (resid  62 and name HD1* )) assign ((resid  62 and name HD1* ))   ( (resid  72 and name HA   )) assign ((resid  59 and name HA   ))   ( (resid  62 and name HG2* )) assign ((resid  62 and name HG2* ))   ( (resid  72 and name HA   )) assign ((resid  62 and name HD1* ))   ( (resid  75 and name HB   )) assign ((resid  62 and name HD1* ))   ( (resid  72 and name HB1  )) assign ((resid  62 and name HD1* ))   ( (resid  72 and name HB2  )) assign ((resid  62 and name HD1* ))   ( (resid  72 and name HD*  )) assign ((resid  62 and name HG2* ))   ( (resid  75 and name HB   )) assign ((resid  62 and name HG2* ))   ( (resid  72 and name HB1  )) assign ((resid  62 and name HG2* ))   ( (resid  72 and name HB2  )) assign ((resid  62 and name HG2* ))   ( (resid  75 and name HD1* )) assign ((resid  62 and name HD1* ))   ( (resid  75 and name HD1* )) assign ((resid  62 and name HD1* ))   ( (resid  70 and name HG2* )) assign ((resid  62 and name HG2* ))   ( (resid  70 and name HG2* )) assign ((resid  61 and name HN   ))   ( (resid  62 and name HG2* )) assign ((resid   6 and name HD2* ))   ( (resid 117 and name HG2* )) assign ((resid   6 and name HD2* ))   ( (resid  61 and name HB1  )) assign ((resid   6 and name HD2* ))   ( (resid  61 and name HB2  )) assign ((resid   6 and name HD2* ))   ( (resid  58 and name HA   )) assign ((resid   6 and name HD2* ))   ( (resid  57 and name HA1  )) assign ((resid   6 and name HD2* ))   ( (resid  10 and name HN   )) assign ((resid   6 and name HD2* ))   ( (resid   7 and name HN   )) assign ((resid  61 and name HA   ))   ( (resid  64 and name HG2* )) assign ((resid  63 and name HN   ))   ( (resid  64 and name HG2* )) assign ((resid  63 and name HN   ))   ( (resid  64 and name HG1* )) assign ((resid  64 and name HG1* ))   ( (resid  65 and name HG*  )) assign ((resid  64 and name HG1* ))   ( (resid  65 and name HD*  )) assign ((resid  61 and name HD1* ))   ( (resid  65 and name HD*  )) assign ((resid  61 and name HD2* ))   ( (resid  65 and name HD*  )) assign ((resid  69 and name HE*  ))   ( (resid 112 and name HB*  )) assign ((resid  70 and name HG1* ))   ( (resid 113 and name HG2* )) assign ((resid  70 and name HG1* ))   ( (resid 112 and name HB*  )) assign ((resid  70 and name HG2* ))   ( (resid 113 and name HG2* )) assign ((resid  70 and name HG2* ))   ( (resid 112 and name HB*  )) assign ((resid  70 and name HG1* ))   ( (resid  74 and name HB2  )) assign ((resid  70 and name HG1* ))   ( (resid 113 and name HA   )) assign ((resid  70 and name HG1* ))   ( (resid  75 and name HA   )) assign ((resid  70 and name HG1* ))   ( (resid 109 and name HA   )) assign ((resid  70 and name HG1* ))   ( (resid 112 and name HA   )) assign ((resid  70 and name HG2* ))   ( (resid  74 and name HB2  )) assign ((resid  70 and name HG2* ))   ( (resid 113 and name HA   )) assign ((resid  70 and name HG1* ))   ( (resid  75 and name HN   )) assign ((resid  70 and name HG2* ))   ( (resid 113 and name HN   )) assign ((resid  54 and name HZ3  ))   ( (resid  75 and name HG2* )) assign ((resid  54 and name HH2  ))   ( (resid  75 and name HG2* )) assign ((resid  74 and name HN   ))   ( (resid  75 and name HD1* )) assign ((resid  54 and name HZ3  ))   ( (resid  75 and name HD1* )) assign ((resid  54 and name HH2  ))   ( (resid  75 and name HD1* )) assign ((resid  59 and name HA   ))   ( (resid  75 and name HG2* )) assign ((resid  72 and name HA   ))   ( (resid  75 and name HG2* )) assign ((resid  59 and name HA   ))   ( (resid  75 and name HD1* )) assign ((resid  72 and name HA   ))   ( (resid  75 and name HD1* )) assign ((resid  55 and name HA   ))   ( (resid  75 and name HG2* )) assign ((resid  70 and name HB   ))   ( (resid  75 and name HD1* )) assign ((resid  59 and name HG   ))   ( (resid  75 and name HG2* )) assign ((resid  75 and name HA   ))   ( (resid 109 and name HG2* )) assign ((resid  59 and name HD1* ))   ( (resid  75 and name HB   )) assign ((resid  75 and name HG2* ))   ( (resid 109 and name HG2* )) assign ((resid  75 and name HD1* ))   ( (resid 109 and name HG2* )) assign ((resid  70 and name HG2* ))   ( (resid  75 and name HD1* )) assign ((resid  70 and name HG1* ))   ( (resid  75 and name HD1* )) assign ((resid  58 and name HB*  ))   ( (resid  75 and name HG2* )) assign ((resid  58 and name HB*  ))   ( (resid  75 and name HD1* )) assign ((resid  75 and name HG2* ))   ( (resid  76 and name HA   )) assign ((resid  59 and name HD1* ))   ( (resid  76 and name HA   )) assign ((resid  59 and name HD1* ))   ( (resid  76 and name HG2  )) assign ((resid  59 and name HD1* ))   ( (resid  76 and name HG1  )) assign ((resid  77 and name HB*  ))   ( (resid  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HA   ))   ( (resid  78 and name HG2* )) assign ((resid  78 and name HG2* ))   ( (resid 109 and name HB   )) assign ((resid  54 and name HE3  ))   ( (resid  78 and name HG1* )) assign ((resid  54 and name HZ3  ))   ( (resid  78 and name HG1* )) assign ((resid  78 and name HG1* ))   ( (resid  81 and name HD22 )) assign ((resid  54 and name HH2  ))   ( (resid  78 and name HG1* )) assign ((resid  54 and name HZ3  ))   ( (resid  78 and name HG2* )) assign ((resid  54 and name HH2  ))   ( (resid  78 and name HG2* )) assign ((resid  78 and name HG1* ))   ( (resid  82 and name HN   )) assign ((resid  78 and name HG1* ))   ( (resid  79 and name HA   )) assign ((resid  78 and name HG1* ))   ( (resid  82 and name HD*  )) assign ((resid  48 and name HN   ))   ( (resid  83 and name HD1* )) assign ((resid  48 and name HN   ))   ( (resid  83 and name HD2* )) assign ((resid  82 and name HN   ))   ( (resid  83 and name HD2* )) assign ((resid  82 and name HE*  ))   ( (resid  83 and name HD2* )) assign ((resid  82 and name HD*  ))   ( (resid  83 and name HD2* )) assign ((resid  82 and name HE*  ))   ( (resid  83 and name HD1* )) assign ((resid  82 and name HD*  ))   ( (resid  83 and name HD1* )) assign ((resid  48 and name HA   ))   ( (resid  83 and name HD2* )) assign ((resid  48 and name HA   ))   ( (resid  83 and name HD1* )) assign ((resid  79 and name HE*  ))   ( (resid  83 and name HD1* )) assign ((resid  44 and name HA   ))   ( (resid  83 and name HD1* )) assign ((resid  51 and name HB*  ))   ( (resid  83 and name HD2* )) assign ((resid  85 and name HD1* ))   ( (resid 103 and name HG2* )) assign ((resid  21 and name HN   ))   ( (resid  85 and name HD1* )) assign ((resid  21 and name HN   ))   ( (resid  85 and name HD2* )) assign ((resid  20 and name HN   ))   ( (resid  85 and name HD2* )) assign ((resid  85 and name HD1* ))   ( (resid 103 and name HN   )) assign ((resid  85 and name HD2* ))   ( (resid  99 and name HE*  )) assign ((resid  85 and name HD2* ))   ( (resid  99 and name HZ   )) assign ((resid  85 and name HD1* ))   ( (resid 103 and name HA   )) assign ((resid  85 and name HD2* ))   ( (resid 103 and name HA   )) assign ((resid  17 and name HA   ))   ( (resid  85 and name HD2* )) assign ((resid  82 and name HA   ))   ( (resid  85 and name HD1* )) assign ((resid  85 and name HD1* ))   ( (resid 106 and name HB   )) assign ((resid  85 and name HD2* ))   ( (resid  86 and name HA   )) assign ((resid  85 and name HD2* ))   ( (resid 102 and name HD1* )) assign ((resid  85 and name HD2* ))   ( (resid  86 and name HG2* )) assign ((resid  47 and name HN   ))   ( (resid  86 and name HG1* )) assign ((resid  47 and name HD21 ))   ( (resid  86 and name HG1* )) assign ((resid  47 and name HD22 ))   ( (resid  86 and name HG1* )) assign ((resid  86 and name HG1* ))   ( (resid  90 and name HD*  )) assign ((resid  86 and name HG1* ))   ( (resid  90 and name HE*  )) assign ((resid  82 and name HZ   ))   ( (resid  86 and name HG2* )) assign ((resid  83 and name HA   ))   ( (resid  86 and name HG1* )) assign ((resid  86 and name HG1* ))   ( (resid  89 and name HB*  )) assign ((resid  44 and name HA   ))   ( (resid  86 and name HG1* )) assign ((resid  83 and name HA   ))   ( (resid  86 and name HG2* )) assign ((resid  47 and name HB2  ))   ( (resid  86 and name HG2* )) assign ((resid  47 and name HB2  ))   ( (resid  86 and name HG1* )) assign ((resid  44 and name HB   ))   ( (resid  86 and name HG1* )) assign ((resid  16 and name HB   ))   ( (resid  86 and name HG2* )) assign ((resid  84 and name HN   ))   ( (resid  87 and name HD2* )) assign ((resid  84 and name HA   ))   ( (resid  87 and name HD2* )) assign ((resid  91 and name HG2* ))   ( (resid  93 and name HN   )) assign ((resid  91 and name HG1* ))   ( (resid  93 and name HN   )) assign ((resid  90 and name HN   ))   ( (resid  91 and name HG1* )) assign ((resid  91 and name HG1* ))   ( (resid  92 and name HD2  )) assign ((resid  36 and name HE*  ))   ( (resid  91 and name HG2* )) assign ((resid  91 and name HG2* ))   ( (resid  92 and name HD2  )) assign ((resid  88 and name HA   ))   ( (resid  91 and name HG2* )) assign ((resid  87 and name HG   ))   ( (resid  91 and name HG2* )) assign ((resid  87 and name HB2  ))   ( (resid  91 and name HG2* )) assign ((resid  91 and name HG1* ))   ( (resid  93 and name HB*  )) assign ((resid  90 and name HB2  ))   ( (resid  91 and name HG1* )) assign ((resid  91 and name HG2* ))   ( (resid  92 and name HA   )) assign ((resid  91 and name HG2* ))   ( (resid  93 and name HB*  )) assign ((resid  94 and name HD1* ))   ( (resid  99 and name HN   )) assign ((resid  94 and name HD1* ))   ( (resid  99 and name HE*  )) assign ((resid  94 and name HD1* ))   ( (resid  99 and name HD*  )) assign ((resid  94 and name HG2* ))   ( (resid  95 and name HN   )) assign ((resid  93 and name HD2  ))   ( (resid  94 and name HG2* )) assign ((resid  94 and name HG2* ))   ( (resid  99 and name HD*  )) assign ((resid  94 and name HD1* ))   ( (resid  99 and name HA   )) assign ((resid  88 and name HB2  ))   ( (resid  94 and name HD1* )) assign ((resid  88 and name HB1  ))   ( (resid  94 and name HD1* )) assign ((resid  88 and name HB1  ))   ( (resid  94 and name HG2* )) assign ((resid  88 and name HG*  ))   ( (resid  94 and name HG2* )) assign ((resid  88 and name HB2  ))   ( (resid  94 and name HG2* )) assign ((resid  93 and name HB*  ))   ( (resid  94 and name HG2* )) assign ((resid  94 and name HD1* ))   ( (resid 102 and name HD1* )) assign ((resid  85 and name HN   ))   ( (resid 102 and name HD1* )) assign ((resid  85 and name HN   ))   ( (resid 102 and name HG2* )) assign ((resid  85 and name HA   ))   ( (resid 102 and name HG2* )) assign ((resid 102 and name HG2* ))   ( (resid 105 and name HB*  )) assign ((resid  99 and name HA   ))   ( (resid 102 and name HG2* )) assign ((resid  85 and name HA   ))   ( (resid 102 and name HD1* )) assign ((resid  99 and name HA   ))   ( (resid 102 and name HD1* )) assign ((resid 102 and name HG2* ))   ( (resid 103 and name HB   )) assign ((resid  81 and name HA   ))   ( (resid 102 and name HG2* )) assign ((resid  84 and name HG*  ))   ( (resid 102 and name HD1* )) assign ((resid  84 and name HB*  ))   ( (resid 102 and name HD1* )) assign ((resid  99 and name HB2  ))   ( (resid 102 and name HD1* )) assign ((resid  94 and name HB   ))   ( (resid 102 and name HD1* )) assign ((resid  85 and name HB1  ))   ( (resid 102 and name HG2* )) assign ((resid  84 and name HB*  ))   ( (resid 102 and name HG2* )) assign ((resid  81 and name HB1  ))   ( (resid 102 and name HG2* )) assign ((resid  81 and name HB2  ))   ( (resid 102 and name HG2* )) assign ((resid  94 and name HD1* ))   ( (resid 102 and name HB   )) assign ((resid  21 and name HB*  ))   ( (resid 103 and name HG2* )) assign ((resid  21 and name HN   ))   ( (resid 103 and name HG2* )) assign ((resid 106 and name HG2* ))   ( (resid 110 and name HN   )) assign ((resid 106 and name HG1* ))   ( (resid 110 and name HN   )) assign ((resid 105 and name HN   ))   ( (resid 106 and name HG2* )) assign ((resid  81 and name HN   ))   ( (resid 106 and name HG2* )) assign ((resid  82 and name HD*  ))   ( (resid 106 and name HG2* )) assign ((resid  82 and name HA   ))   ( (resid 106 and name HG2* )) assign ((resid  82 and name HA   ))   ( (resid 106 and name HG1* )) assign ((resid 103 and name HA   ))   ( (resid 106 and name HG2* )) assign ((resid 103 and name HA   ))   ( (resid 106 and name HG1* )) assign ((resid  81 and name HB1  ))   ( (resid 106 and name HG2* )) assign ((resid  81 and name HB2  ))   ( (resid 106 and name HG2* )) assign ((resid  82 and name HB2  ))   ( (resid 106 and name HG2* )) assign ((resid  82 and name HB2  ))   ( (resid 106 and name HG1* )) assign ((resid  78 and name HG2* ))   ( (resid 106 and name HA   )) assign ((resid  85 and name HB2  ))   ( (resid 106 and name HG2* )) assign ((resid  85 and name HD1* ))   ( (resid 106 and name HG2* )) assign ((resid  78 and name HG1* ))   ( (resid 106 and name HG2* )) assign ((resid  85 and name HD1* ))   ( (resid 106 and name HG1* )) assign ((resid 106 and name HG1* ))   ( (resid 110 and name HD1* )) assign ((resid 104 and name HA   ))   ( (resid 107 and name HD2* )) assign ((resid 104 and name HA   ))   ( (resid 107 and name HD1* )) assign ((resid  14 and name HA   ))   ( (resid 107 and name HD2* )) assign ((resid  18 and name HG2  ))   ( (resid 107 and name HD2* )) assign ((resid  18 and name HG2  ))   ( (resid 107 and name HD1* )) assign ((resid  18 and name HG1  ))   ( (resid 107 and name HD1* )) assign ((resid  14 and name HA   ))   ( (resid 107 and name HD1* )) assign ((resid 107 and name HD1* ))   ( (resid 110 and name HD1* )) assign ((resid  14 and name HD1* ))   ( (resid 107 and name HD1* )) assign ((resid 107 and name HD2* ))   ( (resid 110 and name HD1* )) assign ((resid  14 and name HD1* ))   ( (resid 107 and name HD2* )) assign ((resid 110 and name HD2* ))   ( (resid 113 and name HN   )) assign ((resid  14 and name HN   ))   ( (resid 110 and name HD2* )) assign ((resid  54 and name HZ2  ))   ( (resid 110 and name HD2* )) assign ((resid  54 and name HH2  ))   ( (resid 110 and name HD2* )) assign ((resid  10 and name HA   ))   ( (resid 110 and name HD2* )) assign ((resid  13 and name HA   ))   ( (resid 110 and name HD1* )) assign ((resid  10 and name HG2* ))   ( (resid 110 and name HD1* )) assign ((resid  78 and name HG2* ))   ( (resid 110 and name HD2* )) assign ((resid  10 and name HG2* ))   ( (resid 110 and name HD2* )) assign ((resid  78 and name HG1* ))   ( (resid 110 and name HD1* )) assign ((resid  14 and name HD1* ))   ( (resid 111 and name HA   )) assign ((resid  70 and name HN   ))   ( (resid 112 and name HB*  )) assign ((resid  69 and name HB1  ))   ( (resid 112 and name HB*  )) assign ((resid  69 and name HB2  ))   ( (resid 112 and name HB*  )) assign ((resid 112 and name HB*  ))   ( (resid 113 and name HB   )) assign ((resid  70 and name HB   ))   ( (resid 112 and name HB*  )) assign ((resid 112 and name HB*  ))   ( (resid 113 and name HG2* )) assign ((resid  54 and name HE1  ))   ( (resid 113 and name HG1* )) assign ((resid  54 and name HZ2  ))   ( (resid 113 and name HG1* )) assign ((resid  54 and name HH2  ))   ( (resid 113 and name HG1* )) assign ((resid  54 and name HZ2  ))   ( (resid 113 and name HG2* )) assign ((resid  54 and name HH2  ))   ( (resid 113 and name HG2* )) assign ((resid 110 and name HA   ))   ( (resid 113 and name HG2* )) assign ((resid 110 and name HA   ))   ( (resid 113 and name HG1* )) assign ((resid 113 and name HG1* ))   ( (resid 114 and name HA   )) assign ((resid  75 and name HA   ))   ( (resid 113 and name HG2* )) assign ((resid  10 and name HG1  ))   ( (resid 113 and name HG1* )) assign ((resid  70 and name HB   ))   ( (resid 113 and name HG2* )) assign ((resid 113 and name HG1* ))   ( (resid 114 and name HB1  )) assign ((resid  75 and name HD1* ))   ( (resid 113 and name HG2* )) assign ((resid  58 and name HB*  ))   ( (resid 113 and name HG2* )) assign ((resid 110 and name HD2* ))   ( (resid 113 and name HG2* )) assign ((resid 113 and name HG1* ))   ( (resid 117 and name HD1* )) assign ((resid   6 and name HD2* ))   ( (resid 113 and name HG1* )) assign ((resid 110 and name HD2* ))   ( (resid 113 and name HG1* )) assign ((resid 110 and name HD2* ))   ( (resid 113 and name HB   )) assign ((resid  10 and name HG2* ))   ( (resid 114 and name HA   )) assign ((resid   7 and name HD1* ))   ( (resid 114 and name HE*  )) assign ((resid  14 and name HD1* ))   ( (resid 114 and name HE*  )) assign ((resid   7 and name HD1* ))   ( (resid 114 and name HG1  )) assign ((resid  14 and name HD1* ))   ( (resid 114 and name HG1  )) assign ((resid  10 and name HG2* ))   ( (resid 114 and name HD*  )) assign ((resid  10 and name HG2* ))   ( (resid 114 and name HG2  )) assign ((resid   7 and name HD1* ))   ( (resid 114 and name HG2  )) assign ((resid   7 and name HD1* ))   ( (resid 114 and name HB2  )) assign ((resid  14 and name HD1* ))   ( (resid 114 and name HD*  )) assign ((resid  10 and name HN   ))   ( (resid 117 and name HG2* )) assign ((resid  10 and name HN   ))   ( (resid 117 and name HD1* )) assign ((resid 114 and name HA   ))   ( (resid 117 and name HG2* )) assign ((resid   7 and name HA   ))   ( (resid 117 and name HG2* )) assign ((resid 114 and name HA   ))   ( (resid 117 and name HD1* )) assign ((resid   7 and name HA   ))   ( (resid 117 and name HD1* )) assign ((resid  10 and name HB   ))   ( (resid 117 and name HD1* )) assign ((resid  10 and name HG1  ))   ( (resid 117 and name HD1* )) assign ((resid 117 and name HG2* ))   ( (resid 118 and name HB*  )) assign ((resid 114 and name HB2  ))   ( (resid 117 and name HD1* )) assign ((resid   6 and name HG   ))   ( (resid 117 and name HD1* )) assign ((resid   6 and name HG   ))   ( (resid 117 and name HG2* )) assign ((resid 117 and name HG2* ))   ( (resid 118 and name HA   )) assign ((resid   7 and name HD1* ))   ( (resid 118 and name HB*  )) assign ((resid  62 and name HD1* ))   ( (resid  71 and name HA   )) assign ((resid  16 and name HG2* ))   ( (resid  47 and name HD22 )) assign ((resid   6 and name HD1* ))   ( (resid  58 and name HB*  )) assign ((resid   6 and name HD1* ))   ( (resid  57 and name HA2  )) assign ((resid   6 and name HD1* ))   ( (resid  58 and name HA   )) assign ((resid   6 and name HD1* ))   ( (resid  57 and name HA1  )) assign ((resid   6 and name HA   ))   ( (resid   6 and name HD1* )) assign ((resid   6 and name HD1* ))   ( (resid  10 and name HG1  )) assign ((resid   6 and name HD1* ))   ( (resid  10 and name HN   )) assign ((resid   6 and name HD1* ))   ( (resid   7 and name HN   )) assign ((resid  13 and name HE*  ))   ( (resid  51 and name HN   )) assign ((resid  16 and name HG2* ))   ( (resid  82 and name HE*  )) assign ((resid  21 and name HB*  ))   ( (resid  22 and name HB*  )) assign ((resid  40 and name HD1* ))   ( (resid  90 and name HN   )) assign ((resid  40 and name HG2* ))   ( (resid  87 and name HD1* )) assign ((resid  40 and name HD1* ))   ( (resid  87 and name HD1* )) assign ((resid  40 and name HG2* ))   ( (resid  44 and name HG2* )) assign ((resid  58 and name HA   ))   ( (resid  61 and name HD2* )) assign ((resid  17 and name HB*  ))   ( (resid 107 and name HG   )) assign ((resid  17 and name HB*  ))   ( (resid 106 and name HG1* )) assign ((resid  40 and name HG2* ))   ( (resid  44 and name HG1* )) assign ((resid  54 and name HZ2  ))   ( (resid 109 and name HG2* )) assign ((resid  10 and name HG2* ))   ( (resid  54 and name HH2  )) assign ((resid  10 and name HG2* ))   ( (resid  54 and name HZ2  )) assign ((resid  54 and name HH2  ))   ( (resid 109 and name HG2* )) assign ((resid  58 and name HB*  ))   ( (resid  70 and name HG1* )) assign ((resid  62 and name HG2* ))   ( (resid  71 and name HA   )) assign ((resid  59 and name HB2  ))   ( (resid  62 and name HD1* )) assign ((resid  62 and name HG2* ))   ( (resid 113 and name HG1* )) assign ((resid   6 and name HD2* ))   ( (resid  58 and name HN   )) assign ((resid   6 and name HD1* ))   ( (resid  58 and name HN   )) assign ((resid 108 and name HD*  ))   ( (resid 112 and name HB*  )) assign ((resid  70 and name HG2* ))   ( (resid 109 and name HG2* )) assign ((resid  70 and name HG1* ))   ( (resid 109 and name HG2* )) assign ((resid  75 and name HG2* ))   ( (resid 113 and name HG2* )) assign ((resid  55 and name HN   ))   ( (resid  75 and name HG2* )) assign ((resid  40 and name HD1* ))   ( (resid  87 and name HA   )) assign ((resid  77 and name HB*  ))   ( (resid  80 and name HN   )) assign ((resid  82 and name HA   ))   ( (resid  85 and name HD2* )) assign ((resid  85 and name HD2* ))   ( (resid 103 and name HB   )) assign ((resid  17 and name HA   ))   ( (resid  85 and name HD1* )) assign ((resid  85 and name HD1* ))   ( (resid 103 and name HB   )) assign ((resid  93 and name HB*  ))   ( (resid  94 and name HD1* )) assign ((resid  94 and name HG2* ))   ( (resid  99 and name HB2  )) assign ((resid  94 and name HD1* ))   ( (resid  99 and name HB2  )) assign ((resid  85 and name HD2* ))   ( (resid 102 and name HG2* )) assign ((resid 102 and name HG2* ))   ( (resid 106 and name HG2* )) assign ((resid 102 and name HG2* ))   ( (resid 106 and name HG1* )) assign ((resid  75 and name HD1* ))   ( (resid 113 and name HG1* )) assign ((resid   6 and name HD2* ))   ( (resid 113 and name HG2* )) assign ((resid  78 and name HG2* ))   ( (resid 109 and name HG2* )) assign ((resid  56 and name HA   ))   ( (resid  59 and name HD2* )) assign ((resid  13 and name HE*  ))   ( (resid  50 and name HB1  )) assign ((resid  13 and name HE*  ))   ( (resid  50 and name HG   )) assign ((resid  13 and name HE*  ))   ( (resid  51 and name HB*  )) assign ((resid  13 and name HE*  ))   ( (resid  50 and name HD2* )) assign ((resid  54 and name HZ2  ))   ( (resid  75 and name HD1* )) assign ((resid   7 and name HG   ))   ( (resid 117 and name HD1* )) assign ((resid 106 and name HG1* ))   ( (resid 110 and name HG   )) assign ((resid 106 and name HG1* ))   ( (resid 110 and name HD2* )) assign ((resid   6 and name HD2* ))   ( (resid  58 and name HB*  )) assign ((resid   6 and name HD2* ))   ( (resid   9 and name HE*  )) assign ((resid   7 and name HD1* ))   ( (resid 114 and name HD*  )) assign ((resid   7 and name HD2* ))   ( (resid 114 and name HD*  )) assign ((resid  46 and name HG*  ))   ( (resid  50 and name HD2* )) assign ((resid  82 and name HD*  ))   ( (resid 106 and name HG1* )) assign ((resid  13 and name HA   ))   ( (resid  50 and name HD1* )) assign ((resid  13 and name HA   ))   ( (resid  50 and name HD2* )) assign ((resid  59 and name HN   ))   ( (resid  75 and name HG2* )) assign ((resid  59 and name HN   ))   ( (resid  75 and name HD1* )) assign ((resid   7 and name HD1* ))   ( (resid 114 and name HB1  )) assign ((resid  36 and name HA   ))   ( (resid  40 and name HG2* )) assign ((resid  36 and name HA   ))   ( (resid  40 and name HD1* )) assign ((resid  40 and name HG2* ))   ( (resid  41 and name HA   )) assign ((resid  34 and name HA   ))   ( (resid  40 and name HD1* )) assign ((resid  40 and name HG2* ))   ( (resid  90 and name HD*  )) assign ((resid  40 and name HD1* ))   ( (resid  91 and name HG1* )) assign ((resid  40 and name HD1* ))   ( (resid  90 and name HD*  )) assign ((resid  21 and name HB*  ))   ( (resid  24 and name HD*  )) assign ((resid  36 and name HD*  ))   ( (resid  91 and name HG1* )) assign ((resid  36 and name HE*  ))   ( (resid  91 and name HG1* )) assign ((resid  36 and name HE*  ))   ( (resid  40 and name HD1* )) assign ((resid  36 and name HZ   ))   ( (resid  91 and name HG1* )) assign ((resid   9 and name HE*  ))   ( (resid  54 and name HD1  )) assign ((resid  54 and name HD1  ))   ( (resid 113 and name HG1* )) assign ((resid   6 and name HD1* ))   ( (resid  54 and name HD1  )) assign ((resid  54 and name HZ2  ))   ( (resid  75 and name HG2* )) assign ((resid  54 and name HZ2  ))   ( (resid  78 and name HG1* )) assign ((resid  54 and name HH2  ))   ( (resid  58 and name HB*  )) assign ((resid  54 and name HZ2  ))   ( (resid  58 and name HB*  )) assign ((resid  54 and name HE3  ))   ( (resid  75 and name HG2* )) assign ((resid  13 and name HE*  ))   ( (resid  54 and name HE3  )) assign ((resid  69 and name HD*  ))   ( (resid 112 and name HB*  )) assign ((resid  69 and name HD*  ))   ( (resid  70 and name HG2* )) assign ((resid  82 and name HD*  ))   ( (resid  85 and name HD2* )) assign ((resid  34 and name HD*  ))   ( (resid  40 and name HD1* )) assign ((resid  34 and name HE*  ))   ( (resid  39 and name HG2* )) assign ((resid  87 and name HD2* ))   ( (resid  93 and name HD2  )) assign ((resid  93 and name HD2  ))   ( (resid  94 and name HD1* )) assign ((resid 108 and name HE*  ))   ( (resid 112 and name HB*  )) assign ((resid 107 and name HD2* ))   ( (resid 111 and name HD2  )) assign ((resid 107 and name HD1* ))   ( (resid 111 and name HD2  )) assign ((resid  14 and name HD1* ))   ( (resid 111 and name HD2  )) assign ((resid  82 and name HE*  ))   ( (resid 106 and name HG1* )) assign ((resid  82 and name HE*  ))   ( (resid  85 and name HD2* )) assign ((resid  91 and name HG2* ))   ( (resid  93 and name HD2  )) assign ((resid  85 and name HD1* ))   ( (resid  99 and name HZ   )) assign ((resid  85 and name HD1* ))   ( (resid  99 and name HE*  )) assign ((resid   6 and name HB*  ))   ( (resid 117 and name HB   )) assign ((resid   6 and name HB*  ))   ( (resid 117 and name HG1* )) assign ((resid   6 and name HD2* ))   ( (resid 117 and name HG1* )) assign ((resid   7 and name HB*  ))   ( (resid 117 and name HG2* )) assign ((resid   7 and name HB*  ))   ( (resid 117 and name HD1* )) assign ((resid   7 and name HD1* ))   ( (resid  11 and name HG*  )) assign ((resid   7 and name HD1* ))   ( (resid 114 and name HG*  )) assign ((resid   7 and name HD2* ))   ( (resid  11 and name HG*  )) assign ((resid   8 and name HN   ))   ( (resid   8 and name HB*  )) assign ((resid   8 and name HN   ))   ( (resid   8 and name HG*  )) assign ((resid   8 and name HG*  ))   ( (resid   9 and name HN   )) assign ((resid   9 and name HN   ))   ( (resid   9 and name HG*  )) assign ((resid   9 and name HA   ))   ( (resid  12 and name HB*  )) assign ((resid   9 and name HG*  ))   ( (resid  10 and name HN   )) assign ((resid   9 and name HG*  ))   ( (resid  50 and name HD1* )) assign ((resid  10 and name HA   ))   ( (resid  13 and name HB*  )) assign ((resid  10 and name HG2* ))   ( (resid  13 and name HB*  )) assign ((resid  10 and name HG2* ))   ( (resid 114 and name HG*  )) assign ((resid  11 and name HN   ))   ( (resid  11 and name HB*  )) assign ((resid  11 and name HB*  ))   ( (resid  12 and name HN   )) assign ((resid  11 and name HB*  ))   ( (resid  14 and name HD1* )) assign ((resid  11 and name HG*  ))   ( (resid  12 and name HN   )) assign ((resid  12 and name HN   ))   ( (resid  12 and name HB*  )) assign ((resid  12 and name HN   ))   ( (resid  12 and name HG*  )) assign ((resid  12 and name HA   ))   ( (resid  12 and name HG*  )) assign ((resid  12 and name HA   ))   ( (resid  15 and name HB*  )) assign ((resid  12 and name HB*  ))   ( (resid  13 and name HN   )) assign ((resid  12 and name HB*  ))   ( (resid  50 and name HD2* )) assign ((resid  12 and name HG*  ))   ( (resid  13 and name HN   )) assign ((resid  12 and name HG*  ))   ( (resid  16 and name HG2* )) assign ((resid  12 and name HG*  ))   ( (resid  50 and name HD2* )) assign ((resid  12 and name HE2* ))   ( (resid  15 and name HG*  )) assign ((resid  12 and name HE2* ))   ( (resid  16 and name HA   )) assign ((resid  12 and name HE2* ))   ( (resid  16 and name HG1* )) assign ((resid  12 and name HE2* ))   ( (resid  16 and name HG2* )) assign ((resid  12 and name HE2* ))   ( (resid  50 and name HD2* )) assign ((resid  13 and name HN   ))   ( (resid  13 and name HB*  )) assign ((resid  13 and name HB*  ))   ( (resid  14 and name HN   )) assign ((resid  13 and name HE*  ))   ( (resid  50 and name HB*  )) assign ((resid  14 and name HG2* ))   ( (resid  18 and name HG*  )) assign ((resid  14 and name HD1* ))   ( (resid 110 and name HB*  )) assign ((resid  14 and name HD1* ))   ( (resid 114 and name HG*  )) assign ((resid  15 and name HN   ))   ( (resid  15 and name HB*  )) assign ((resid  15 and name HN   ))   ( (resid  15 and name HG*  )) assign ((resid  15 and name HB*  ))   ( (resid  16 and name HN   )) assign ((resid  15 and name HB*  ))   ( (resid  16 and name HG1* )) assign ((resid  15 and name HB*  ))   ( (resid  16 and name HG2* )) assign ((resid  15 and name HB*  ))   ( (resid  17 and name HN   )) assign ((resid  15 and name HG*  ))   ( (resid  16 and name HN   )) assign ((resid  15 and name HG*  ))   ( (resid  19 and name HG*  )) assign ((resid  15 and name HG*  ))   ( (resid  19 and name HD*  )) assign ((resid  15 and name HG*  ))   ( (resid  19 and name HE*  )) assign ((resid  16 and name HG1* ))   ( (resid  47 and name HD2* )) assign ((resid  16 and name HG2* ))   ( (resid  47 and name HD2* )) assign ((resid  17 and name HB*  ))   ( (resid  18 and name HG*  )) assign ((resid  18 and name HN   ))   ( (resid  18 and name HG*  )) assign ((resid  18 and name HA   ))   ( (resid  18 and name HG*  )) assign ((resid  18 and name HG*  ))   ( (resid  19 and name HN   )) assign ((resid  18 and name HG*  ))   ( (resid 107 and name HD1* )) assign ((resid  18 and name HG*  ))   ( (resid 107 and name HD2* )) assign ((resid  19 and name HA   ))   ( (resid  19 and name HG*  )) assign ((resid  21 and name HA   ))   ( (resid  24 and name HB*  )) assign ((resid  22 and name HA   ))   ( (resid  25 and name HB*  )) assign ((resid  22 and name HB*  ))   ( (resid  25 and name HB*  )) assign ((resid  24 and name HN   ))   ( (resid  24 and name HB*  )) assign ((resid  24 and name HB*  ))   ( (resid  25 and name HN   )) assign ((resid  24 and name HB*  ))   ( (resid  99 and name HE*  )) assign ((resid  26 and name HA   ))   ( (resid  26 and name HG*  )) assign ((resid  38 and name HN   ))   ( (resid  38 and name HG*  )) assign ((resid  38 and name HA   ))   ( (resid  38 and name HG*  )) assign ((resid  40 and name HN   ))   ( (resid  40 and name HG1* )) assign ((resid  40 and name HG1* ))   ( (resid  41 and name HN   )) assign ((resid  41 and name HN   ))   ( (resid  42 and name HD*  )) assign ((resid  43 and name HB*  ))   ( (resid  47 and name HD2* )) assign ((resid  45 and name HN   ))   ( (resid  45 and name HG*  )) assign ((resid  45 and name HA   ))   ( (resid  45 and name HG*  )) assign ((resid  45 and name HA   ))   ( (resid  48 and name HB*  )) assign ((resid  46 and name HA   ))   ( (resid  49 and name HG*  )) assign ((resid  46 and name HG*  ))   ( (resid  47 and name HD2* )) assign ((resid  47 and name HN   ))   ( (resid  47 and name HD2* )) assign ((resid  47 and name HA   ))   ( (resid  50 and name HB*  )) assign ((resid  47 and name HD2* ))   ( (resid  86 and name HG1* )) assign ((resid  47 and name HD2* ))   ( (resid  86 and name HG2* )) assign ((resid  48 and name HN   ))   ( (resid  49 and name HG*  )) assign ((resid  48 and name HB*  ))   ( (resid  49 and name HN   )) assign ((resid  48 and name HB*  ))   ( (resid  83 and name HD1* )) assign ((resid  49 and name HA   ))   ( (resid  49 and name HG*  )) assign ((resid  49 and name HG*  ))   ( (resid  50 and name HN   )) assign ((resid  49 and name HG*  ))   ( (resid  52 and name HB*  )) assign ((resid  50 and name HN   ))   ( (resid  50 and name HB*  )) assign ((resid  50 and name HA   ))   ( (resid  53 and name HB*  )) assign ((resid  51 and name HA   ))   ( (resid  54 and name HB*  )) assign ((resid  51 and name HB*  ))   ( (resid  54 and name HB*  )) assign ((resid  52 and name HN   ))   ( (resid  54 and name HB*  )) assign ((resid  53 and name HN   ))   ( (resid  53 and name HB*  )) assign ((resid  53 and name HN   ))   ( (resid  53 and name HG*  )) assign ((resid  53 and name HA   ))   ( (resid  56 and name HB*  )) assign ((resid  53 and name HB*  ))   ( (resid  54 and name HN   )) assign ((resid  53 and name HG*  ))   ( (resid  54 and name HN   )) assign ((resid  54 and name HB*  ))   ( (resid  55 and name HN   )) assign ((resid  54 and name HH2  ))   ( (resid  75 and name HG1* )) assign ((resid  55 and name HN   ))   ( (resid  56 and name HB*  )) assign ((resid  55 and name HB*  ))   ( (resid  56 and name HB*  )) assign ((resid  55 and name HB*  ))   ( (resid  56 and name HG*  )) assign ((resid  55 and name HB*  ))   ( (resid  79 and name HB*  )) assign ((resid  56 and name HN   ))   ( (resid  56 and name HB*  )) assign ((resid  56 and name HN   ))   ( (resid  56 and name HG*  )) assign ((resid  56 and name HB*  ))   ( (resid  57 and name HN   )) assign ((resid  56 and name HB*  ))   ( (resid  59 and name HD1* )) assign ((resid  56 and name HG*  ))   ( (resid  59 and name HD1* )) assign ((resid  57 and name HA2  ))   ( (resid  60 and name HB*  )) assign ((resid  57 and name HA1  ))   ( (resid  60 and name HB*  )) assign ((resid  58 and name HN   ))   ( (resid  75 and name HG1* )) assign ((resid  58 and name HA   ))   ( (resid  61 and name HB*  )) assign ((resid  58 and name HA   ))   ( (resid 117 and name HG1* )) assign ((resid  58 and name HB*  ))   ( (resid  75 and name HG1* )) assign ((resid  58 and name HB*  ))   ( (resid 117 and name HG1* )) assign ((resid  59 and name HN   ))   ( (resid  60 and name HB*  )) assign ((resid  59 and name HD1* ))   ( (resid  72 and name HB*  )) assign ((resid  59 and name HD1* ))   ( (resid  76 and name HG*  )) assign ((resid  59 and name HD2* ))   ( (resid  76 and name HG*  )) assign ((resid  60 and name HN   ))   ( (resid  60 and name HB*  )) assign ((resid  60 and name HA   ))   ( (resid  63 and name HG*  )) assign ((resid  60 and name HB*  ))   ( (resid  61 and name HN   )) assign ((resid  60 and name HG*  ))   ( (resid  63 and name HD*  )) assign ((resid  61 and name HN   ))   ( (resid  61 and name HB*  )) assign ((resid  61 and name HB*  ))   ( (resid  62 and name HN   )) assign ((resid  62 and name HG2* ))   ( (resid  67 and name HD*  )) assign ((resid  62 and name HG2* ))   ( (resid  72 and name HB*  )) assign ((resid  63 and name HN   ))   ( (resid  63 and name HD*  )) assign ((resid  63 and name HA   ))   ( (resid  63 and name HD*  )) assign ((resid  63 and name HG*  ))   ( (resid  64 and name HN   )) assign ((resid  63 and name HD*  ))   ( (resid  64 and name HN   )) assign ((resid  63 and name HD*  ))   ( (resid  64 and name HB   )) assign ((resid  63 and name HD*  ))   ( (resid  64 and name HG1* )) assign ((resid  68 and name HA   ))   ( (resid  68 and name HG*  )) assign ((resid  68 and name HA   ))   ( (resid  68 and name HD*  )) assign ((resid  68 and name HB*  ))   ( (resid  68 and name HD*  )) assign ((resid  68 and name HB*  ))   ( (resid  68 and name HE*  )) assign ((resid  68 and name HB*  ))   ( (resid  70 and name HN   )) assign ((resid  68 and name HG*  ))   ( (resid  70 and name HN   )) assign ((resid  68 and name HD*  ))   ( (resid 116 and name HA   )) assign ((resid  69 and name HD*  ))   ( (resid 116 and name HB*  )) assign ((resid  69 and name HE*  ))   ( (resid 115 and name HB*  )) assign ((resid  69 and name HE*  ))   ( (resid 116 and name HB*  )) assign ((resid  69 and name HE*  ))   ( (resid 119 and name HG*  )) assign ((resid  70 and name HG1* ))   ( (resid  75 and name HG1* )) assign ((resid  70 and name HG1* ))   ( (resid 116 and name HB*  )) assign ((resid  71 and name HN   ))   ( (resid  74 and name HG*  )) assign ((resid  71 and name HD2  ))   ( (resid  73 and name HB*  )) assign ((resid  71 and name HD2  ))   ( (resid  74 and name HG*  )) assign ((resid  72 and name HB*  ))   ( (resid  73 and name HN   )) assign ((resid  72 and name HG*  ))   ( (resid  76 and name HG*  )) assign ((resid  73 and name HN   ))   ( (resid  73 and name HB*  )) assign ((resid  73 and name HN   ))   ( (resid  73 and name HG*  )) assign ((resid  73 and name HA   ))   ( (resid  73 and name HG*  )) assign ((resid  73 and name HA   ))   ( (resid  76 and name HG*  )) assign ((resid  73 and name HB*  ))   ( (resid  74 and name HN   )) assign ((resid  74 and name HN   ))   ( (resid  74 and name HG*  )) assign ((resid  74 and name HN   ))   ( (resid  74 and name HE2* )) assign ((resid  74 and name HA   ))   ( (resid  74 and name HG*  )) assign ((resid  74 and name HG*  ))   ( (resid  75 and name HN   )) assign ((resid  74 and name HG*  ))   ( (resid  77 and name HB*  )) assign ((resid  74 and name HE2* ))   ( (resid  78 and name HG2* )) assign ((resid  75 and name HN   ))   ( (resid  75 and name HG1* )) assign ((resid  75 and name HG2* ))   ( (resid  76 and name HG*  )) assign ((resid  75 and name HG1* ))   ( (resid  76 and name HN   )) assign ((resid  75 and name HG1* ))   ( (resid 113 and name HG1* )) assign ((resid  75 and name HG1* ))   ( (resid 113 and name HG2* )) assign ((resid  76 and name HN   ))   ( (resid  76 and name HG*  )) assign ((resid  76 and name HA   ))   ( (resid  76 and name HG*  )) assign ((resid  76 and name HG*  ))   ( (resid  77 and name HN   )) assign ((resid  77 and name HB*  ))   ( (resid  81 and name HD2* )) assign ((resid  78 and name HA   ))   ( (resid  81 and name HB*  )) assign ((resid  78 and name HG1* ))   ( (resid  79 and name HB*  )) assign ((resid  78 and name HG1* ))   ( (resid  81 and name HD2* )) assign ((resid  78 and name HG2* ))   ( (resid  81 and name HD2* )) assign ((resid  79 and name HN   ))   ( (resid  79 and name HG*  )) assign ((resid  79 and name HB*  ))   ( (resid  79 and name HE*  )) assign ((resid  79 and name HB*  ))   ( (resid  80 and name HN   )) assign ((resid  79 and name HG*  ))   ( (resid  80 and name HN   )) assign ((resid  79 and name HG*  ))   ( (resid  83 and name HD1* )) assign ((resid  80 and name HB*  ))   ( (resid  81 and name HN   )) assign ((resid  81 and name HN   ))   ( (resid  81 and name HB*  )) assign ((resid  81 and name HB*  ))   ( (resid  82 and name HN   )) assign ((resid  81 and name HB*  ))   ( (resid 102 and name HG2* )) assign ((resid  81 and name HB*  ))   ( (resid 106 and name HG1* )) assign ((resid  81 and name HB*  ))   ( (resid 106 and name HG2* )) assign ((resid  81 and name HD2* ))   ( (resid  82 and name HN   )) assign ((resid  81 and name HD2* ))   ( (resid 106 and name HG2* )) assign ((resid  94 and name HN   ))   ( (resid  94 and name HG1* )) assign ((resid  94 and name HD1* ))   ( (resid 102 and name HG1* )) assign ((resid 100 and name HN   ))   ( (resid 100 and name HG*  )) assign ((resid 100 and name HA   ))   ( (resid 100 and name HD*  )) assign ((resid 100 and name HG*  ))   ( (resid 101 and name HN   )) assign ((resid 101 and name HA   ))   ( (resid 104 and name HG*  )) assign ((resid 102 and name HG1* ))   ( (resid 103 and name HN   )) assign ((resid 104 and name HN   ))   ( (resid 104 and name HB*  )) assign ((resid 104 and name HN   ))   ( (resid 104 and name HG*  )) assign ((resid 104 and name HA   ))   ( (resid 104 and name HG*  )) assign ((resid 104 and name HB*  ))   ( (resid 105 and name HN   )) assign ((resid 104 and name HG*  ))   ( (resid 105 and name HN   )) assign ((resid 107 and name HA   ))   ( (resid 110 and name HB*  )) assign ((resid 108 and name HA   ))   ( (resid 111 and name HB*  )) assign ((resid 110 and name HN   ))   ( (resid 110 and name HB*  )) assign ((resid 110 and name HB*  ))   ( (resid 111 and name HN   )) assign ((resid 111 and name HN   ))   ( (resid 111 and name HB*  )) assign ((resid 111 and name HA   ))   ( (resid 114 and name HG*  )) assign ((resid 111 and name HB*  ))   ( (resid 112 and name HN   )) assign ((resid 112 and name HA   ))   ( (resid 115 and name HB*  )) assign ((resid 112 and name HB*  ))   ( (resid 115 and name HB*  )) assign ((resid 113 and name HA   ))   ( (resid 116 and name HB*  )) assign ((resid 113 and name HG1* ))   ( (resid 117 and name HG1* )) assign ((resid 114 and name HN   ))   ( (resid 114 and name HG*  )) assign ((resid 114 and name HG*  ))   ( (resid 117 and name HD1* )) assign ((resid 115 and name HN   ))   ( (resid 115 and name HB*  )) assign ((resid 116 and name HN   ))   ( (resid 116 and name HG*  )) assign ((resid 116 and name HA   ))   ( (resid 116 and name HG*  )) assign ((resid 116 and name HG*  ))   ( (resid 117 and name HN   )) assign ((resid 117 and name HN   ))   ( (resid 117 and name HG1* )) assign ((resid 117 and name HA   ))   ( (resid 120 and name HB*  )) assign ((resid 117 and name HG2* ))   ( (resid 120 and name HB*  )) assign ((resid 117 and name HG1* ))   ( (resid 118 and name HN   )) assign ((resid 119 and name HN   ))   ( (resid 119 and name HG*  )) assign ((resid 120 and name HA   ))   ( (resid 120 and name HG*  ))

3.48 1.69 1.69 2.84 1.04 1.04 2.84 1.04 1.04 2.64 0.84 0.84 2.64 0.84 0.84 2.55 0.75 0.75 3.32 1.53 1.53 3.21 1.42 1.42 2.89 1.09 1.09 2.89 1.09 1.09 3.20 1.40 1.40 3.23 1.44 1.44 2.69 0.90 0.90 2.82 1.02 1.02 2.71 0.91 0.91 3.09 1.29 1.29 2.58 0.79 0.79 2.73 0.93 0.93 2.73 0.93 0.93 2.53 0.73 0.73 3.05 1.26 1.26 3.29 1.49 1.49 3.61 1.81 1.81 2.84 1.04 1.04 2.84 1.04 1.04 2.53 0.73 0.73 2.53 0.73 0.73 3.47 1.67 1.67 3.03 1.24 1.24 3.34 1.54 1.54 3.48 1.69 1.69 2.53 0.73 0.73 2.91 1.11 1.11 2.91 1.11 1.11 2.73 0.93 0.93 2.73 0.93 0.93 3.52 1.72 1.72 3.05 1.26 1.26 3.09 1.29 1.29 2.73 0.93 0.93 2.98 1.18 1.18 2.98 1.18 1.18 2.46 0.66 0.66 3.25 1.45 1.45 2.76 0.97 0.97 3.27 1.47 1.47 2.55 0.75 0.75 2.48 0.68 0.68 2.55 0.75 0.75 2.55 0.75 0.75 2.46 0.66 0.66 3.21 1.42 1.42 3.21 1.42 1.42 2.78 0.99 0.99 3.30 1.51 1.51 2.87 1.08 1.08 2.44 0.64 0.64 3.18 1.38 1.38 3.11 1.31 1.31 3.29 1.49 1.49 3.23 1.44 1.44 2.40 0.61 0.61 2.49 0.70 0.70 2.44 0.64 0.64 3.14 1.35 1.35 3.43 1.63 1.63 2.71 0.91 0.91 2.49 0.70 0.70 2.58 0.79 0.79 2.48 0.68 0.68 3.18 1.38 1.38 3.12 1.33 1.33 2.93 1.13 1.13 3.02 1.22 1.22 2.84 1.04 1.04 3.03 1.24 1.24 3.18 1.38 1.38 2.51 0.72 0.72 3.11 1.31 1.31 3.70 1.90 1.90 2.93 1.13 1.13 3.16 1.36 1.36 2.55 0.75 0.75 3.05 1.26 1.26 3.32 1.53 1.53 3.68 1.89 1.89 2.49 0.70 0.70 2.84 1.05 1.05 2.46 0.66 0.66 3.32 1.53 1.53 3.72 1.92 1.92 3.86 2.07 2.07 3.90 2.10 2.10 2.73 0.93 0.93 2.57 0.77 0.77 3.50 1.71 1.71 3.79 1.99 1.99 3.47 1.67 1.67 3.54 1.74 1.74 2.80 1.00 1.00 2.85 1.06 1.06 3.56 1.76 1.76 2.82 1.02 1.02 2.82 1.02 1.02 3.00 1.20 1.20 3.57 1.78 1.78 3.81 2.01 2.01 3.16 1.36 1.36 3.16 1.36 1.36 2.69 0.90 0.90 3.25 1.45 1.45 3.45 1.65 1.65 3.66 1.87 1.87 2.98 1.18 1.18 3.39 1.60 1.60 3.52 1.72 1.72 3.52 1.72 1.72 3.05 1.26 1.26 3.05 1.26 1.26 2.78 0.99 0.99 2.76 0.97 0.97 3.09 1.29 1.29 2.87 1.08 1.08 3.14 1.35 1.35 3.21 1.42 1.42 2.82 1.02 1.02 2.46 0.66 0.66 2.40 0.61 0.61 3.48 1.69 1.69 3.27 1.47 1.47 3.29 1.49 1.49 2.55 0.75 0.75 2.55 0.75 0.75 2.64 0.84 0.84 2.44 0.64 0.64 2.64 0.84 0.84 3.41 1.62 1.62 3.50 1.71 1.71 2.64 0.84 0.84 2.85 1.06 1.06 2.40 0.61 0.61 2.51 0.72 0.72 3.18 1.38 1.38 3.03 1.24 1.24 3.57 1.78 1.78 2.49 0.70 0.70 2.46 0.66 0.66 2.40 0.61 0.61 2.82 1.02 1.02 2.48 0.68 0.68 3.61 1.81 1.81 3.20 1.40 1.40 2.85 1.06 1.06 3.21 1.42 1.42 3.30 1.51 1.51 2.78 0.99 0.99 3.18 1.38 1.38 2.42 0.63 0.63 2.42 0.63 0.63 2.48 0.68 0.68 3.39 1.60 1.60 3.12 1.33 1.33 3.48 1.69 1.69 2.96 1.17 1.17 2.96 1.17 1.17 2.98 1.18 1.18 2.64 0.84 0.84 3.90 2.10 2.10 2.48 0.68 0.68 3.06 1.26 1.26 2.53 0.73 0.73 2.53 0.73 0.73 2.89 1.09 1.09 3.25 1.45 1.45 3.34 1.54 1.54 2.53 0.73 0.73 2.62 0.82 0.82 2.62 0.82 0.82 3.30 1.51 1.51 3.43 1.63 1.63 3.25 1.45 1.45 2.40 0.61 0.61 2.67 0.88 0.88 3.05 1.26 1.26 3.68 1.89 1.89 2.85 1.06 1.06 3.68 1.89 1.89 2.48 0.68 0.68 2.48 0.68 0.68 2.48 0.68 0.68 2.39 0.59 0.59 3.18 1.38 1.38 2.94 1.15 1.15 2.96 1.17 1.17 2.96 1.17 1.17 2.48 0.68 0.68 2.48 0.68 0.68 2.53 0.73 0.73 3.34 1.54 1.54 3.29 1.49 1.49 2.96 1.17 1.17 2.96 1.17 1.17 3.68 1.89 1.89 3.20 1.40 1.40 2.78 0.99 0.99 3.20 1.40 1.40 2.49 0.70 0.70 2.51 0.72 0.72 2.51 0.72 0.72 3.39 1.60 1.60 3.75 1.96 1.96 3.14 1.35 1.35 3.68 1.89 1.89 2.55 0.75 0.75 2.82 1.02 1.02 2.57 0.77 0.77 3.70 1.90 1.90 3.38 1.58 1.58 2.51 0.72 0.72 2.55 0.75 0.75 2.71 0.91 0.91 3.27 1.47 1.47 3.50 1.71 1.71 3.43 1.63 1.63 3.43 1.63 1.63 3.45 1.65 1.65 3.52 1.72 1.72 2.44 0.64 0.64 2.62 0.82 0.82 2.60 0.81 0.81 2.46 0.66 0.66 2.46 0.66 0.66 2.44 0.64 0.64 3.25 1.45 1.45 3.90 2.10 2.10 2.96 1.17 1.17 2.80 1.00 1.00 2.80 1.00 1.00 2.58 0.79 0.79 3.36 1.56 1.56 3.07 1.27 1.27 2.84 1.04 1.04 2.84 1.04 1.04 2.78 0.99 0.99 3.43 1.63 1.63 2.85 1.06 1.06 3.14 1.35 1.35 3.27 1.47 1.47 2.57 0.77 0.77 3.07 1.27 1.27 3.21 1.42 1.42 3.00 1.20 1.20 2.40 0.61 0.61 2.53 0.73 0.73 2.66 0.86 0.86 3.21 1.42 1.42 3.41 1.62 1.62 2.62 0.82 0.82 3.25 1.45 1.45 2.55 0.75 0.75 2.85 1.06 1.06 3.90 2.10 2.10 3.16 1.36 1.36 2.93 1.13 1.13 2.93 1.13 1.13 3.05 1.26 1.26 2.87 1.08 1.08 2.87 1.08 1.08 2.69 0.90 0.90 2.66 0.86 0.86 3.02 1.22 1.22 2.62 0.82 0.82 2.89 1.09 1.09 2.82 1.02 1.02 2.39 0.59 0.59 3.74 1.94 1.94 3.09 1.29 1.29 2.49 0.70 0.70 2.73 0.93 0.93 3.27 1.47 1.47 2.93 1.13 1.13 3.52 1.72 1.72 3.38 1.58 1.58 2.51 0.72 0.72 2.40 0.61 0.61 3.20 1.40 1.40 3.43 1.63 1.63 2.69 0.90 0.90 3.20 1.40 1.40 3.45 1.65 1.65 2.33 0.54 0.54 2.49 0.70 0.70 3.30 1.51 1.51 3.30 1.51 1.51 3.90 2.10 2.10 2.49 0.70 0.70 2.40 0.61 0.61 2.40 0.61 0.61 2.48 0.68 0.68 3.02 1.22 1.22 2.80 1.00 1.00 2.80 1.00 1.00 2.46 0.66 0.66 2.46 0.66 0.66 2.44 0.64 0.64 3.41 1.62 1.62 3.02 1.22 1.22 3.02 1.22 1.22 2.75 0.95 0.95 2.75 0.95 0.95 3.25 1.45 1.45 3.16 1.36 1.36 3.36 1.56 1.56 2.53 0.73 0.73 3.30 1.51 1.51 3.30 1.51 1.51 2.58 0.79 0.79 2.48 0.68 0.68 3.39 1.60 1.60 3.30 1.51 1.51 3.48 1.69 1.69 2.57 0.77 0.77 2.69 0.90 0.90 3.07 1.27 1.27 2.44 0.64 0.64 3.27 1.47 1.47 3.27 1.47 1.47 2.89 1.09 1.09 3.25 1.45 1.45 2.46 0.66 0.66 2.73 0.93 0.93 2.64 0.84 0.84 3.02 1.22 1.22 3.45 1.65 1.65 2.48 0.68 0.68 3.10 1.30 1.30 2.42 0.63 0.63 2.62 0.82 0.82 3.18 1.38 1.38 3.30 1.51 1.51 2.78 0.99 0.99 3.30 1.51 1.51 2.66 0.86 0.86 2.71 0.91 0.91 2.39 0.59 0.59 2.55 0.75 0.75 3.05 1.26 1.26 2.67 0.88 0.88 2.55 0.75 0.75 3.52 1.72 1.72 3.90 2.10 2.10 2.87 1.08 1.08 2.76 0.97 0.97 3.11 1.31 1.31 2.89 1.09 1.09 2.87 1.08 1.08 3.36 1.56 1.56 3.23 1.44 1.44 2.87 1.08 1.08 3.65 1.85 1.85 3.16 1.36 1.36 2.84 1.04 1.04 3.38 1.58 1.58 2.94 1.15 1.15 2.67 0.88 0.88 2.48 0.68 0.68 3.74 1.94 1.94 3.32 1.53 1.53 2.67 0.88 0.88 3.70 1.90 1.90 3.02 1.22 1.22 2.91 1.11 1.11 2.96 1.17 1.17 2.78 0.99 0.99 2.62 0.82 0.82 2.76 0.97 0.97 3.09 1.29 1.29 3.54 1.74 1.74 3.18 1.38 1.38 3.02 1.22 1.22 2.66 0.86 0.86 2.66 0.86 0.86 3.27 1.47 1.47 3.43 1.63 1.63 3.12 1.33 1.33 3.56 1.76 1.76 2.66 0.86 0.86 2.75 0.95 0.95 2.75 0.95 0.95 2.64 0.84 0.84 2.55 0.75 0.75 2.62 0.82 0.82 3.90 2.10 2.10 3.65 1.85 1.85 2.75 0.95 0.95 2.78 0.99 0.99 2.53 0.73 0.73 3.66 1.87 1.87 3.11 1.31 1.31 2.73 0.93 0.93 3.66 1.87 1.87 2.48 0.68 0.68 2.71 0.91 0.91 2.44 0.64 0.64 2.49 0.70 0.70 2.66 0.86 0.86 2.67 0.88 0.88 2.67 0.88 0.88 2.85 1.06 1.06 2.73 0.93 0.93 3.27 1.47 1.47 3.56 1.76 1.76 2.40 0.61 0.61 2.69 0.90 0.90 2.69 0.90 0.90 2.44 0.64 0.64 3.90 2.10 2.10 2.94 1.15 1.15 3.16 1.36 1.36 3.36 1.56 1.56 3.57 1.78 1.78 2.35 0.55 0.55 2.51 0.72 0.72 3.59 1.80 1.80 2.51 0.72 0.72 2.69 0.90 0.90 2.57 0.77 0.77 2.75 0.95 0.95 3.54 1.74 1.74 2.46 0.66 0.66 2.75 0.95 0.95 2.75 0.95 0.95 2.46 0.66 0.66 2.42 0.63 0.63 3.43 1.63 1.63 3.05 1.26 1.26 3.68 1.89 1.89 3.29 1.49 1.49 2.55 0.75 0.75 2.53 0.73 0.73 2.85 1.06 1.06 2.58 0.79 0.79 2.62 0.82 0.82 3.81 2.01 2.01 3.56 1.76 1.76 3.72 1.92 1.92 3.36 1.56 1.56 3.03 1.24 1.24 2.75 0.95 0.95 2.75 0.95 0.95 2.69 0.90 0.90 3.21 1.42 1.42 3.02 1.22 1.22 3.41 1.62 1.62 2.75 0.95 0.95 2.75 0.95 0.95 2.71 0.91 0.91 2.71 0.91 0.91 3.61 1.81 1.81 3.29 1.49 1.49 2.91 1.11 1.11 3.12 1.33 1.33 3.02 1.22 1.22 2.42 0.63 0.63 2.85 1.06 1.06 2.85 1.06 1.06 2.96 1.17 1.17 3.03 1.24 1.24 2.78 0.99 0.99 3.29 1.49 1.49 2.46 0.66 0.66 2.35 0.55 0.55 2.35 0.55 0.55 3.14 1.35 1.35 2.85 1.06 1.06 3.36 1.56 1.56 2.82 1.02 1.02 2.55 0.75 0.75 2.53 0.73 0.73 3.18 1.38 1.38 2.87 1.08 1.08 3.41 1.62 1.62 3.86 2.07 2.07 2.40 0.61 0.61 2.82 1.02 1.02 2.51 0.72 0.72 2.55 0.75 0.75 2.55 0.75 0.75 2.57 0.77 0.77 3.32 1.53 1.53 3.86 2.07 2.07 3.27 1.47 1.47 2.96 1.17 1.17 2.96 1.17 1.17 2.73 0.93 0.93 2.73 0.93 0.93 3.14 1.35 1.35 3.21 1.42 1.42 3.23 1.44 1.44 2.67 0.88 0.88 2.96 1.17 1.17 2.96 1.17 1.17 3.47 1.67 1.67 3.36 1.56 1.56 2.48 0.68 0.68 2.58 0.79 0.79 3.14 1.35 1.35 3.48 1.69 1.69 3.21 1.42 1.42 3.52 1.72 1.72 2.46 0.66 0.66 2.44 0.64 0.64 2.58 0.79 0.79 3.70 1.90 1.90 3.32 1.53 1.53 3.21 1.42 1.42 3.05 1.26 1.26 3.43 1.63 1.63 3.45 1.65 1.65 3.20 1.40 1.40 3.47 1.67 1.67 3.54 1.74 1.74 2.66 0.86 0.86 2.78 0.99 0.99 3.91 2.11 2.11 4.03 2.24 2.24 3.34 1.54 1.54 3.27 1.47 1.47 2.89 1.09 1.09 2.96 1.17 1.17 3.12 1.33 1.33 3.56 1.76 1.76 3.72 1.92 1.92 3.21 1.42 1.42 3.27 1.47 1.47 3.54 1.74 1.74 3.57 1.78 1.78 3.52 1.72 1.72 3.39 1.60 1.60 3.09 1.29 1.29 3.09 1.29 1.29 3.61 1.81 1.81 3.61 1.81 1.81 3.43 1.63 1.63 3.43 1.63 1.63 3.90 2.10 2.10 3.29 1.49 1.49 3.90 2.10 2.10 3.90 2.10 2.10 3.90 2.10 2.10 3.90 2.10 2.10 4.34 2.54 2.54 3.70 1.90 1.90 3.90 2.10 2.10 3.90 2.10 2.10 3.90 2.10 2.10 4.34 2.54 2.54 4.34 2.54 2.54 4.96 3.17 3.17 4.96 3.17 3.17 3.90 2.10 2.10 3.90 2.10 2.10 3.90 2.10 2.10 2.82 1.02 1.02 3.84 2.05 2.05 3.66 1.87 1.87 3.66 1.87 1.87 3.30 1.51 1.51 3.29 1.49 1.49 2.98 1.18 1.18 3.77 1.98 1.98 3.77 1.98 1.98 4.34 2.54 2.54 2.76 0.97 0.97 3.52 1.72 1.72 3.39 1.60 1.60 3.53 1.73 1.73 3.65 1.86 1.86 3.75 1.96 1.96 3.90 2.10 2.10 3.90 2.10 2.10 4.34 2.54 2.54 3.90 2.10 2.10 3.05 1.26 1.26 3.05 1.26 1.26 3.90 2.10 2.10 3.90 2.10 2.10 2.89 1.09 1.09 2.89 1.09 1.09 3.52 1.72 1.72 3.52 1.72 1.72 3.56 1.76 1.76 3.56 1.76 1.76 3.90 2.10 2.10 3.90 2.10 2.10 3.90 2.10 2.10 3.90 2.10 2.10 3.90 2.10 2.10 4.96 3.17 3.17 2.78 0.99 0.99 3.38 1.58 1.58 4.34 2.54 2.54 3.57 1.78 1.78 3.77 1.98 1.98 3.21 1.42 1.42 3.61 1.81 1.81 3.79 1.99 1.99 3.79 1.99 1.99 4.34 2.54 2.54 4.34 2.54 2.54 3.90 2.10 2.10 3.90 2.10 2.10 3.90 2.10 2.10 3.90 2.10 2.10 3.90 2.10 2.10 4.34 2.54 2.54 3.00 1.20 1.20 3.00 1.20 1.20 3.90 2.10 2.10 2.89 1.09 1.09 3.56 1.76 1.76 2.64 0.84 0.84 3.34 1.54 1.54 3.54 1.74 1.74 3.54 1.74 1.74 4.34 2.54 2.54 3.12 1.33 1.33 3.12 1.33 1.33 3.75 1.96 1.96 3.75 1.96 1.96 3.36 1.56 1.56 3.36 1.56 1.56 3.70 1.90 1.90 3.70 1.90 1.90 3.36 1.56 1.56 3.36 1.56 1.56 2.87 1.08 1.08 3.65 1.85 1.85 3.52 1.72 1.72 4.34 2.54 2.54 3.90 2.10 2.10 4.84 3.04 3.04 3.52 1.72 1.72 3.90 2.10 2.10 3.90 2.10 2.10 3.39 1.60 1.60 3.90 2.10 2.10 3.47 1.67 1.67 3.57 1.78 1.78 4.96 3.17 3.17 4.96 3.17 3.17 3.90 2.10 2.10 3.90 2.10 2.10 3.90 2.10 2.10 4.96 3.17 3.17 4.96 3.17 3.17 4.96 3.17 3.17 4.96 3.17 3.17 3.90 2.10 2.10 2.82 1.02 1.02 3.74 1.94 1.94 4.34 2.54 2.54 4.28 2.49 2.49 4.24 2.45 2.45 3.83 2.04 2.04 4.35 2.56 2.56 3.24 1.44 1.44 2.93 1.14 1.14 3.15 1.35 1.35 3.62 1.82 1.82 3.67 1.87 1.87 4.16 2.36 2.36 3.90 2.11 2.11 2.73 0.94 0.94 2.93 1.14 1.14 4.05 2.25 2.25 3.85 2.05 2.05 3.83 2.04 2.04 4.26 2.47 2.47 3.29 1.50 1.50 2.91 1.12 1.12 3.76 1.96 1.96 4.26 2.47 2.47 3.65 1.86 1.86 3.70 1.91 1.91 4.21 2.41 2.41 3.76 1.96 1.96 3.60 1.80 1.80 3.65 1.86 1.86 3.31 1.51 1.51 3.65 1.86 1.86 3.83 2.04 2.04 3.29 1.50 1.50 3.51 1.71 1.71 4.25 2.45 2.45 2.71 0.92 0.92 3.04 1.24 1.24 4.21 2.41 2.41 4.30 2.50 2.50 3.54 1.75 1.75 3.54 1.75 1.75 3.45 1.66 1.66 4.41 2.61 2.61 4.01 2.22 2.22 4.07 2.27 2.27 4.03 2.23 2.23 3.83 2.04 2.04 4.41 2.61 2.61 4.41 2.61 2.61 4.08 2.29 2.29 4.41 2.61 2.61 4.41 2.61 2.61 4.41 2.61 2.61 4.26 2.47 2.47 4.41 2.61 2.61 4.41 2.61 2.61 3.96 2.16 2.16 4.14 2.34 2.34 4.41 2.61 2.61 4.41 2.61 2.61 4.41 2.61 2.61 4.41 2.61 2.61 4.34 2.54 2.54 4.41 2.61 2.61 4.41 2.61 2.61 4.41 2.61 2.61 4.41 2.61 2.61 4.08 2.29 2.29 4.19 2.40 2.40 4.05 2.25 2.25 4.41 2.61 2.61 4.30 2.50 2.50 4.41 2.61 2.61 4.41 2.61 2.61 3.81 2.02 2.02 4.32 2.52 2.52 4.41 2.61 2.61 4.41 2.61 2.61 3.97 2.18 2.18 4.41 2.61 2.61 4.41 2.61 2.61 4.41 2.61 2.61 4.34 2.54 2.54 3.69 1.89 1.89 3.79 2.00 2.00 4.24 2.45 2.45 4.41 2.61 2.61 4.41 2.61 2.61 4.41 2.61 2.61 4.41 2.61 2.61 4.01 2.22 2.22 4.41 2.61 2.61 4.41 2.61 2.61 4.15 2.36 2.36 3.56 1.77 1.77 2.84 1.04 1.04 2.80 1.00 1.00 3.02 1.22 1.22 3.02 1.22 1.22 3.18 1.38 1.38 2.87 1.08 1.08 2.80 1.00 1.00 3.59 1.80 1.80 3.14 1.35 1.35 3.14 1.35 1.35 3.59 1.80 1.80 2.87 1.08 1.08 3.00 1.20 1.20 2.84 1.04 1.04 3.07 1.27 1.27 2.78 0.99 0.99 2.94 1.15 1.15 2.78 0.99 0.99 3.08 1.28 1.28 2.71 0.91 0.91 2.55 0.75 0.75 2.78 0.99 0.99 3.43 1.63 1.63 3.32 1.53 1.53 3.32 1.53 1.53 3.32 1.53 1.53 2.80 1.00 1.00 2.80 1.00 1.00 3.38 1.58 1.58 3.32 1.53 1.53 2.69 0.90 0.90 3.39 1.60 1.60 3.35 1.55 1.55 2.73 0.93 0.93 2.31 0.52 0.52 2.84 1.04 1.04 2.57 0.77 0.77 2.40 0.61 0.61 3.07 1.27 1.27 3.18 1.38 1.38 2.91 1.11 1.11 3.32 1.53 1.53 2.91 1.11 1.11 2.33 0.54 0.54 2.98 1.18 1.18 3.11 1.32 1.32 2.80 1.00 1.00 3.11 1.31 1.31 2.51 0.72 0.72 3.66 1.87 1.87 3.56 1.76 1.76 2.91 1.11 1.11 2.91 1.11 1.11 2.76 0.97 0.97 2.83 1.03 1.03 2.96 1.17 1.17 3.66 1.87 1.87 3.18 1.38 1.38 3.12 1.33 1.33 3.03 1.24 1.24 2.96 1.17 1.17 3.12 1.33 1.33 3.16 1.36 1.36 2.35 0.55 0.55 2.40 0.61 0.61 2.40 0.61 0.61 2.96 1.17 1.17 3.05 1.26 1.26 2.89 1.09 1.09 2.89 1.09 1.09 2.89 1.09 1.09 2.82 1.02 1.02 3.45 1.65 1.65 3.32 1.53 1.53 3.43 1.63 1.63 3.45 1.65 1.65 3.32 1.53 1.53 3.43 1.63 1.63 3.41 1.62 1.62 3.35 1.55 1.55 2.77 0.98 0.98 3.08 1.28 1.28 2.78 0.99 0.99 2.42 0.63 0.63 2.40 0.61 0.61 2.91 1.11 1.11 2.85 1.06 1.06 2.78 0.99 0.99 3.16 1.36 1.36 3.05 1.26 1.26 3.38 1.59 1.59 3.02 1.22 1.22 2.96 1.17 1.17 2.96 1.17 1.17 2.84 1.04 1.04 2.89 1.09 1.09 2.89 1.09 1.09 2.94 1.15 1.15 2.80 1.00 1.00 2.82 1.02 1.02 3.60 1.80 1.80 3.03 1.24 1.24 2.66 0.86 0.86 3.32 1.53 1.53 2.69 0.90 0.90 3.02 1.22 1.22 2.58 0.79 0.79 2.87 1.08 1.08 3.27 1.47 1.47 2.80 1.00 1.00 3.11 1.31 1.31 2.91 1.11 1.11 3.20 1.40 1.40 2.91 1.11 1.11 3.07 1.27 1.27 2.78 0.99 0.99 2.82 1.02 1.02 3.00 1.20 1.20 2.93 1.13 1.13 2.69 0.90 0.90 3.00 1.20 1.20 3.00 1.20 1.20 2.67 0.88 0.88 2.78 0.99 0.99 3.07 1.27 1.27 2.69 0.90 0.90 2.84 1.04 1.04 2.97 1.18 1.18 2.79 1.00 1.00 3.02 1.23 1.23 2.85 1.06 1.06 2.93 1.13 1.13 3.12 1.33 1.33 3.12 1.33 1.33 3.34 1.54 1.54 2.64 0.84 0.84 2.66 0.86 0.86 3.34 1.54 1.54 2.85 1.06 1.06 3.75 1.96 1.96 3.02 1.22 1.22 2.78 0.99 0.99 2.37 0.57 0.57 2.76 0.97 0.97 3.11 1.31 1.31 3.11 1.31 1.31 2.58 0.79 0.79 2.78 0.99 0.99 3.75 1.96 1.96 3.57 1.78 1.78 2.64 0.84 0.84 2.33 0.54 0.54 3.56 1.76 1.76 3.47 1.68 1.68 3.07 1.27 1.27 3.00 1.20 1.20 2.96 1.17 1.17 3.21 1.42 1.42 3.34 1.54 1.54 3.41 1.62 1.62 3.65 1.86 1.86 2.64 0.84 0.84 2.33 0.54 0.54 2.75 0.95 0.95 2.75 0.95 0.95 3.90 2.10 2.10 2.76 0.97 0.97 3.47 1.67 1.67 3.29 1.49 1.49 2.76 0.97 0.97 3.47 1.67 1.67 4.34 2.54 2.54 3.18 1.38 1.38 2.67 0.88 0.88 3.70 1.90 1.90 3.18 1.38 1.38 2.67 0.88 0.88 2.84 1.04 1.04 2.75 0.95 0.95 2.84 1.04 1.04 2.75 0.95 0.95 3.90 2.10 2.10 3.07 1.27 1.27 2.93 1.13 1.13 3.07 1.27 1.27 2.93 1.13 1.13 3.65 1.86 1.86 3.40 1.61 1.61 4.34 2.54 2.54 3.82 2.02 2.02 2.84 1.04 1.04 2.84 1.04 1.04 3.21 1.42 1.42 2.73 0.93 0.93 3.21 1.42 1.42 2.73 0.93 0.93 3.90 2.10 2.10 2.69 0.90 0.90 2.82 1.02 1.02 2.69 0.90 0.90 3.84 2.05 2.05 3.15 1.36 1.36 3.83 2.04 2.04 2.64 0.84 0.84 2.67 0.88 0.88 3.75 1.96 1.96 2.64 0.84 0.84 2.67 0.88 0.88 3.75 1.96 1.96 2.98 1.18 1.18 3.56 1.77 1.77 3.75 1.96 1.96 2.64 0.84 0.84 2.89 1.09 1.09 3.59 1.80 1.80 2.89 1.09 1.09 2.64 0.84 0.84 3.59 1.80 1.80 3.19 1.39 1.39 4.14 2.35 2.35 3.90 2.10 2.10 4.34 2.54 2.54 4.78 2.98 2.98 3.36 1.56 1.56 3.75 1.96 1.96 3.36 1.56 1.56 3.59 1.80 1.80 3.70 1.90 1.90 3.59 1.80 1.80 3.70 1.90 1.90 4.07 2.27 2.27 3.90 2.10 2.10 4.01 2.22 2.22 4.34 2.54 2.54 4.34 2.54 2.54 2.71 0.91 0.91 3.72 1.92 1.92 2.71 0.91 0.91 3.90 2.10 2.10 3.72 1.92 1.92 3.90 2.10 2.10 3.23 1.44 1.44 2.98 1.18 1.18 3.90 2.10 2.10 3.23 1.44 1.44 2.98 1.18 1.18 2.84 1.04 1.04 2.84 1.04 1.04 3.90 2.10 2.10 3.90 2.10 2.10 3.90 2.10 2.10 3.90 2.10 2.10 3.90 2.10 2.10 4.14 2.35 2.35 4.14 2.35 2.35 4.78 2.98 2.98 4.34 2.54 2.54 4.32 2.53 2.53 4.18 2.38 2.38 3.90 2.10 2.10 3.90 2.10 2.10 3.90 2.10 2.10 3.90 2.10 2.10 3.90 2.10 2.10 4.34 2.54 2.54 4.34 2.54 2.54 4.34 2.54 2.54 3.90 2.10 2.10 3.07 1.27 1.27 2.91 1.11 1.11 3.90 2.10 2.10 3.07 1.27 1.27 2.91 1.11 1.11 3.90 2.10 2.10 2.89 1.09 1.09 2.69 0.90 0.90 4.10 2.31 2.31 3.90 2.10 2.10 3.90 2.10 2.10 4.34 2.54 2.54 4.96 3.17 3.17 4.28 2.49 2.49 4.22 2.43 2.43 4.19 2.40 2.40 4.19 2.40 2.40 3.67 1.88 1.88 3.67 1.88 1.88 4.24 2.45 2.45 3.18 1.38 1.38 4.12 2.32 2.32 4.96 3.17 3.17 5.40 3.61 3.61 4.34 2.54 2.54 4.34 2.54 2.54 3.90 2.10 2.10 4.34 2.54 2.54 3.88 2.08 2.08 4.34 2.54 2.54 3.87 2.07 2.07 4.34 2.54 2.54 4.96 3.17 3.17 3.90 2.10 2.10 3.90 2.10 2.10 4.34 2.54 2.54 4.34 2.54 2.54 3.05 1.26 1.26 3.88 2.08 2.08 4.69 2.90 2.90 3.90 2.10 2.10 4.96 3.17 3.17 3.90 2.10 2.10 3.90 2.10 2.10 4.34 2.54 2.54 4.34 2.54 2.54 4.34 2.54 2.54 3.17 1.37 1.37 4.10 2.31 2.31 4.34 2.54 2.54 5.40 3.61 3.61 5.40 3.61 3.61 3.90 2.10 2.10 2.94 1.15 1.15 3.90 2.10 2.10 3.51 1.72 1.72 3.51 1.72 1.72 2.94 1.15 1.15 3.90 2.10 2.10 4.92 3.12 3.12 5.40 3.61 3.61 4.96 3.17 3.17 4.96 3.17 3.17 4.96 3.17 3.17 4.16 2.36 2.36 3.90 2.10 2.10 3.90 2.10 2.10 3.90 2.10 2.10 3.52 1.72 1.72 2.85 1.06 1.06 2.85 1.06 1.06 3.90 2.10 2.10 4.96 3.17 3.17 3.74 1.94 1.94 3.65 1.85 1.85 3.90 2.10 2.10 3.90 2.10 2.10 3.74 1.94 1.94 4.57 2.77 2.77 4.96 3.17 3.17 5.41 3.61 3.61 5.41 3.61 3.61 5.41 3.61 3.61 4.96 3.17 3.17 5.19 3.39 3.39 3.90 2.10 2.10 3.90 2.10 2.10 3.90 2.10 2.10 4.34 2.54 2.54 3.84 2.05 2.05 3.90 2.10 2.10 3.90 2.10 2.10 3.90 2.10 2.10 3.90 2.10 2.10 3.84 2.05 2.05 4.96 3.17 3.17 4.78 2.99 2.99 4.96 3.17 3.17 5.41 3.61 3.61 4.96 3.17 3.17 4.96 3.17 3.17 4.96 3.17 3.17 4.96 3.17 3.17 4.96 3.17 3.17 4.96 3.17 3.17 5.40 3.61 3.61 4.96 3.17 3.17 3.90 2.10 2.10 4.96 3.17 3.17 4.96 3.17 3.17 4.96 3.17 3.17 4.96 3.17 3.17 3.90 2.10 2.10 3.90 2.10 2.10 4.96 3.17 3.17 4.96 3.17 3.17 4.58 2.79 2.79 3.79 1.99 1.99 3.30 1.51 1.51 3.90 2.10 2.10 3.90 2.10 2.10 4.96 3.17 3.17 5.40 3.61 3.61 4.96 3.17 3.17 3.76 1.96 1.96 2.73 0.94 0.94 3.34 1.55 1.55 3.97 2.18 2.18 3.94 2.14 2.14 3.36 1.57 1.57 4.28 2.49 2.49 3.70 1.91 1.91 3.70 1.91 1.91 3.22 1.42 1.42 3.47 1.68 1.68 2.79 0.99 0.99 3.67 1.87 1.87 2.79 0.99 0.99 2.75 0.96 0.96 3.40 1.60 1.60 3.31 1.51 1.51 3.09 1.30 1.30 3.81 2.02 2.02 3.72 1.93 1.93 2.62 0.83 0.83 2.91 1.12 1.12 3.51 1.71 1.71 3.25 1.46 1.46 3.36 1.57 1.57 3.04 1.24 1.24 3.72 1.93 1.93 2.99 1.19 1.19 2.93 1.14 1.14 2.66 0.87 0.87 2.70 0.90 0.90 3.06 1.26 1.26 3.15 1.35 1.35 3.18 1.39 1.39 2.68 0.88 0.88 4.16 2.36 2.36 3.61 1.82 1.82 2.91 1.12 1.12 3.60 1.80 1.80 3.33 1.53 1.53 2.71 0.92 0.92 3.25 1.46 1.46 3.61 1.82 1.82 3.08 1.28 1.28 2.79 0.99 0.99 2.73 0.94 0.94 2.61 0.81 0.81 3.54 1.75 1.75 3.11 1.32 1.32 2.70 0.90 0.90 3.87 2.07 2.07 3.06 1.26 1.26 3.24 1.44 1.44 3.15 1.35 1.35 3.24 1.44 1.44 3.78 1.98 1.98 3.09 1.30 1.30 3.06 1.26 1.26 3.71 1.91 1.91 2.91 1.12 1.12 2.68 0.88 0.88 3.60 1.80 1.80 2.75 0.96 0.96 3.61 1.82 1.82 3.45 1.66 1.66 2.73 0.94 0.94 2.77 0.97 0.97 4.41 2.61 2.61 3.56 1.77 1.77 3.25 1.46 1.46 2.75 0.96 0.96 4.05 2.25 2.25 3.54 1.75 1.75 3.70 1.91 1.91 2.82 1.03 1.03 3.53 1.73 1.73 3.33 1.53 1.53 3.13 1.33 1.33 3.87 2.07 2.07 4.06 2.27 2.27 4.14 2.34 2.34 2.98 1.19 1.19 3.45 1.66 1.66 3.16 1.37 1.37 3.16 1.37 1.37 3.80 2.00 2.00 4.41 2.61 2.61 3.29 1.50 1.50 3.13 1.33 1.33 3.45 1.66 1.66 2.93 1.14 1.14 2.77 0.97 0.97 3.61 1.82 1.82 3.22 1.42 1.42 2.90 1.10 1.10 2.72 0.92 0.92 3.96 2.16 2.16 3.45 1.66 1.66 3.18 1.39 1.39 4.12 2.32 2.32 2.93 1.14 1.14 4.41 2.61 2.61 3.34 1.55 1.55 4.41 2.61 2.61 2.86 1.06 1.06 2.73 0.94 0.94 3.00 1.21 1.21 2.89 1.10 1.10 2.95 1.15 1.15 3.40 1.60 1.60 3.42 1.62 1.62 4.28 2.49 2.49 4.41 2.61 2.61 4.41 2.61 2.61 4.06 2.27 2.27 3.78 1.99 1.99 2.91 1.12 1.12 2.75 0.96 0.96 3.90 2.11 2.11 4.41 2.61 2.61 4.01 2.22 2.22 3.99 2.20 2.20 3.38 1.59 1.59 4.14 2.34 2.34 3.24 1.44 1.44 3.49 1.69 1.69 4.41 2.61 2.61 3.85 2.05 2.05 3.31 1.51 1.51 3.25 1.46 1.46 3.78 1.98 1.98 3.87 2.08 2.08 3.49 1.69 1.69 3.49 1.69 1.69 3.58 1.78 1.78 3.58 1.78 1.78 3.24 1.44 1.44 3.24 1.44 1.44 3.65 1.86 1.86 3.65 1.86 1.86 3.69 1.89 1.89 4.32 2.52 2.52 4.30 2.50 2.50 3.38 1.59 1.59 4.82 3.03 3.03 4.99 3.19 3.19 4.41 2.61 2.61 4.41 2.61 2.61 4.41 2.61 2.61 3.09 1.30 1.30 3.74 1.95 1.95 3.96 2.16 2.16 3.69 1.89 1.89 3.93 2.13 2.13 3.89 2.09 2.09 3.65 1.86 1.86 3.51 1.71 1.71 4.30 2.50 2.50 3.51 1.71 1.71 4.92 3.12 3.12 4.20 2.40 2.40 4.32 2.53 2.53 3.22 1.42 1.42 3.87 2.08 2.08 4.84 3.05 3.05 3.36 1.57 1.57 5.47 3.68 3.68 3.56 1.77 1.77 3.83 2.04 2.04 3.58 1.78 1.78 3.83 2.04 2.04 3.06 1.26 1.26 3.99 2.20 2.20 4.14 2.34 2.34 3.51 1.71 1.71 3.94 2.15 2.15 4.66 2.87 2.87 5.33 3.53 3.53 5.47 3.68 3.68 4.32 2.53 2.53 4.41 2.61 2.61 4.39 2.59 2.59 3.89 2.10 2.10 4.66 2.87 2.87 3.84 2.04 2.04 4.66 2.87 2.87 4.03 2.23 2.23 3.56 1.77 1.77 4.37 2.58 2.58 4.41 2.61 2.61 4.55 2.76 2.76 3.88 2.09 2.09 4.92 3.12 3.12 4.92 3.12 3.12 4.41 2.61 2.61 3.83 2.04 2.04 4.55 2.76 2.76 4.90 3.10 3.10 5.47 3.68 3.68 4.10 2.31 2.31 4.85 3.05 3.05 4.23 2.43 2.43 3.36 1.57 1.57 4.19 2.40 2.40 3.97 2.18 2.18 5.40 3.60 3.60 4.93 3.14 3.14 4.90 3.10 3.10 3.54 1.75 1.75 5.47 3.68 3.68 4.41 2.61 2.61 4.08 2.29 2.29 4.41 2.61 2.61 4.52 2.72 2.72 3.70 1.91 1.91 4.21 2.41 2.41 3.61 1.82 1.82 4.41 2.61 2.61 4.12 2.33 2.33 4.92 3.12 3.12 4.41 2.61 2.61 4.17 2.38 2.38 4.85 3.05 3.05 4.42 2.62 2.62 4.08 2.29 2.29 4.08 2.29 2.29 4.23 2.43 2.43 3.78 1.98 1.98 4.56 2.76 2.76 3.78 1.98 1.98 3.69 1.89 1.89 4.81 3.02 3.02 4.57 2.78 2.78 4.70 2.91 2.91 4.85 3.05 3.05 3.72 1.93 1.93 4.61 2.81 2.81 4.50 2.70 2.70 4.21 2.41 2.41 3.51 1.71 1.71 3.63 1.84 1.84 4.25 2.46 2.46 4.92 3.12 3.12 3.84 2.04 2.04 4.06 2.27 2.27 3.63 1.84 1.84 4.03 2.23 2.23 4.41 2.61 2.61 3.18 1.39 1.39 4.37 2.58 2.58 4.37 2.58 2.58 3.74 1.95 1.95 3.87 2.07 2.07 4.41 2.61 2.61 4.92 3.12 3.12 3.94 2.14 2.14 4.36 2.56 2.56 4.18 2.38 2.38 4.05 2.25 2.25 4.37 2.58 2.58 4.09 2.30 2.30 4.07 2.28 2.28 4.85 3.05 3.05 3.82 2.03 2.03 4.27 2.48 2.48 4.38 2.58 2.58 4.15 2.36 2.36 3.87 2.07 2.07 3.93 2.13 2.13 3.18 1.39 1.39 2.95 1.15 1.15 3.43 1.64 1.64 3.94 2.14 2.14 3.47 1.68 1.68 3.13 1.33 1.33 3.13 1.33 1.33 4.13 2.33 2.33 3.90 2.11 2.11 4.10 2.31 2.31 4.10 2.31 2.31 4.00 2.20 2.20 3.75 1.95 1.95 4.45 2.65 2.65 3.93 2.13 2.13 4.41 2.61 2.61 4.23 2.44 2.44 4.41 2.61 2.61 4.41 2.61 2.61 3.42 1.62 1.62 4.41 2.61 2.61 4.41 2.61 2.61 4.32 2.52 2.52 3.31 1.51 1.51 3.94 2.14 2.14 4.41 2.61 2.61 4.09 2.30 2.30 4.85 3.05 3.05 4.85 3.05 3.05 4.85 3.05 3.05 5.40 3.61 3.61 3.57 1.77 1.77 3.80 2.01 2.01 3.69 1.90 1.90 3.91 2.11 2.11 3.53 1.73 1.73 3.65 1.86 1.86 4.41 2.61 2.61 4.41 2.61 2.61 4.35 2.56 2.56 3.20 1.41 1.41 3.74 1.95 1.95 4.32 2.52 2.52 4.06 2.27 2.27 3.49 1.69 1.69 3.63 1.84 1.84 4.41 2.61 2.61 3.60 1.80 1.80 3.31 1.51 1.51 3.52 1.73 1.73 4.01 2.22 2.22 3.72 1.93 1.93 3.22 1.42 1.42 3.25 1.46 1.46 3.26 1.46 1.46 2.97 1.17 1.17 3.70 1.91 1.91 4.03 2.23 2.23 4.92 3.12 3.12 3.58 1.79 1.79 3.82 2.02 2.02 4.00 2.20 2.20 3.73 1.93 1.93 3.59 1.79 1.79 4.41 2.61 2.61 3.76 1.96 1.96 3.36 1.57 1.57 3.36 1.57 1.57 4.30 2.50 2.50 4.45 2.66 2.66 4.29 2.49 2.49 4.92 3.12 3.12 3.56 1.77 1.77 4.23 2.43 2.43 4.24 2.45 2.45 4.36 2.56 2.56 3.69 1.90 1.90 3.80 2.01 2.01 4.92 3.12 3.12 3.49 1.69 1.69 3.40 1.60 1.60 3.49 1.69 1.69 3.67 1.87 1.87 3.40 1.60 1.60 3.31 1.51 1.51 3.92 2.13 2.13 3.74 1.95 1.95 4.41 2.61 2.61 3.87 2.07 2.07 3.29 1.50 1.50 3.16 1.37 1.37 3.80 2.00 2.00 3.78 1.98 1.98 5.47 3.68 3.68 3.67 1.87 1.87 3.54 1.75 1.75 4.41 2.61 2.61 4.56 2.76 2.76 4.52 2.72 2.72 5.47 3.68 3.68 5.47 3.68 3.68 2.75 0.96 0.96 2.80 1.01 1.01 4.00 2.21 2.21 4.41 2.61 2.61 4.25 2.46 2.46 4.52 2.73 2.73 3.90 2.11 2.11 3.60 1.80 1.80 3.88 2.09 2.09 4.41 2.61 2.61 5.44 3.64 3.64 3.81 2.02 2.02 3.13 1.33 1.33 3.43 1.64 1.64 2.86 1.06 1.06 3.44 1.64 1.64 4.03 2.23 2.23 4.26 2.47 2.47 4.92 3.12 3.12 4.65 2.85 2.85 4.21 2.41 2.41 3.69 1.89 1.89 3.69 1.89 1.89 5.47 3.68 3.68 4.61 2.81 2.81 4.41 2.61 2.61 3.90 2.11 2.11 4.85 3.05 3.05 3.56 1.77 1.77 3.99 2.20 2.20 3.44 1.64 1.64 3.49 1.69 1.69 4.41 2.61 2.61 4.41 2.61 2.61 4.41 2.61 2.61 4.39 2.59 2.59 3.34 1.55 1.55 3.81 2.02 2.02 4.41 2.61 2.61 4.41 2.61 2.61 5.47 3.68 3.68 4.41 2.61 2.61 2.91 1.12 1.12 3.49 1.69 1.69 4.23 2.43 2.43 4.70 2.91 2.91 4.07 2.27 2.27 3.76 1.96 1.96 4.67 2.87 2.87 4.41 2.61 2.61 5.47 3.68 3.68 4.54 2.74 2.74 3.81 2.02 2.02 4.28 2.49 2.49 5.40 3.60 3.60 3.35 1.55 1.55 3.26 1.46 1.46 3.58 1.78 1.78 3.65 1.86 1.86 4.70 2.91 2.91 3.63 1.84 1.84 4.69 2.89 2.89 4.14 2.35 2.35 3.92 2.13 2.13 3.70 1.91 1.91 4.19 2.40 2.40 4.72 2.93 2.93 3.92 2.13 2.13 4.25 2.45 2.45 3.96 2.16 2.16 4.24 2.45 2.45 4.01 2.22 2.22 4.76 2.96 2.96 3.75 1.95 1.95 4.23 2.43 2.43 4.41 2.61 2.61 3.88 2.09 2.09 4.63 2.84 2.84 3.65 1.86 1.86 3.65 1.86 1.86 4.41 2.61 2.61 3.94 2.15 2.15 4.19 2.40 2.40 4.41 2.61 2.61 4.07 2.27 2.27 4.41 2.61 2.61 4.15 2.36 2.36 5.47 3.68 3.68 3.02 1.23 1.23 3.29 1.50 1.50 3.78 1.98 1.98 3.94 2.14 2.14 3.29 1.50 1.50 3.29 1.50 1.50 3.60 1.80 1.80 3.49 1.69 1.69 3.42 1.62 1.62 3.49 1.69 1.69 4.16 2.37 2.37 4.16 2.37 2.37 4.14 2.35 2.35 3.73 1.93 1.93 3.94 2.14 2.14 3.88 2.09 2.09 3.33 1.53 1.53 3.56 1.77 1.77 3.87 2.07 2.07 3.87 2.07 2.07 4.41 2.61 2.61 4.92 3.12 3.12 4.92 3.12 3.12 4.11 2.31 2.31 4.88 3.09 3.09 4.41 2.61 2.61 4.32 2.52 2.52 3.47 1.68 1.68 4.05 2.25 2.25 4.05 2.25 2.25 4.23 2.43 2.43 4.34 2.55 2.55 4.68 2.89 2.89 3.75 1.95 1.95 4.92 3.12 3.12 3.81 2.02 2.02 4.41 2.61 2.61 4.01 2.22 2.22 4.19 2.40 2.40 4.41 2.61 2.61 3.24 1.44 1.44 4.12 2.33 2.33 3.36 1.57 1.57 2.99 1.19 1.19 4.05 2.25 2.25 2.88 1.08 1.08 3.33 1.53 1.53 3.47 1.68 1.68 3.98 2.18 2.18 3.76 1.96 1.96 3.97 2.18 2.18 4.41 2.61 2.61 3.58 1.78 1.78 4.14 2.34 2.34 3.80 2.01 2.01 4.18 2.38 2.38 4.92 3.12 3.12 3.51 1.72 1.72 4.34 2.55 2.55 4.92 3.12 3.12 4.41 2.61 2.61 4.21 2.41 2.41 3.75 1.95 1.95 4.00 2.21 2.21 3.54 1.75 1.75 3.89 2.09 2.09 4.29 2.50 2.50 3.78 1.98 1.98 3.54 1.75 1.75 3.65 1.86 1.86 4.63 2.84 2.84 4.41 2.61 2.61 4.17 2.38 2.38 3.38 1.59 1.59 3.79 2.00 2.00 3.20 1.41 1.41 3.17 1.37 1.37 4.26 2.47 2.47 4.32 2.52 2.52 4.21 2.42 2.42 3.56 1.77 1.77 3.04 1.24 1.24 3.29 1.50 1.50 3.38 1.59 1.59 4.57 2.78 2.78 3.71 1.91 1.91 3.56 1.77 1.77 4.48 2.69 2.69 3.52 1.73 1.73 3.81 2.02 2.02 3.09 1.30 1.30 3.11 1.32 1.32 4.41 2.61 2.61 4.30 2.50 2.50 4.41 2.61 2.61 4.41 2.61 2.61 5.47 3.68 3.68 4.85 3.05 3.05 4.41 2.61 2.61 4.07 2.28 2.28 4.40 2.60 2.60 4.11 2.31 2.31 4.10 2.31 2.31 3.65 1.86 1.86 4.39 2.60 2.60 4.90 3.10 3.10 3.87 2.07 2.07 4.33 2.54 2.54 4.26 2.47 2.47 3.69 1.89 1.89 4.92 3.12 3.12 4.41 2.61 2.61 3.99 2.20 2.20 4.74 2.94 2.94 4.41 2.61 2.61 3.72 1.93 1.93 5.47 3.68 3.68 3.87 2.08 2.08 4.27 2.47 2.47 4.92 3.12 3.12 4.39 2.59 2.59 4.41 2.61 2.61 4.17 2.38 2.38 3.90 2.11 2.11 4.41 2.61 2.61 3.35 1.55 1.55 4.41 2.61 2.61 4.85 3.05 3.05 3.61 1.82 1.82 3.36 1.57 1.57 4.47 2.67 2.67 4.47 2.67 2.67 4.92 3.12 3.12 4.50 2.71 2.71 4.92 3.12 3.12 3.49 1.70 1.70 3.90 2.11 2.11 3.69 1.89 1.89 3.58 1.78 1.78 3.87 2.08 2.08 4.50 2.71 2.71 4.41 2.61 2.61 4.41 2.61 2.61 3.08 1.28 1.28 4.72 2.92 2.92 4.92 3.12 3.12 4.92 3.12 3.12 3.73 1.94 1.94 4.85 3.05 3.05 4.85 3.05 3.05 4.25 2.45 2.45 4.41 2.61 2.61 4.15 2.36 2.36 3.61 1.82 1.82 4.41 2.61 2.61 3.43 1.64 1.64 4.35 2.56 2.56 3.60 1.80 1.80 4.41 2.61 2.61 4.41 2.61 2.61 5.22 3.42 3.42 4.32 2.53 2.53 5.27 3.48 3.48 5.47 3.68 3.68 5.47 3.68 3.68 5.38 3.59 3.59 5.47 3.68 3.68 4.41 2.61 2.61 3.79 2.00 2.00 4.41 2.61 2.61 3.61 1.82 1.82 4.41 2.61 2.61 4.41 2.61 2.61 4.41 2.61 2.61 4.41 2.61 2.61 4.41 2.61 2.61 4.41 2.61 2.61 5.02 3.23 3.23 5.47 3.68 3.68 5.47 3.68 3.68 5.47 3.68 3.68 5.47 3.68 3.68 4.41 2.61 2.61 4.41 2.61 2.61 5.47 3.68 3.68 4.16 2.36 2.36 4.32 2.52 2.52 4.41 2.61 2.61 5.47 3.68 3.68 5.47 3.68 3.68 4.08 2.29 2.29 4.41 2.61 2.61 5.47 3.68 3.68 4.34 2.54 2.54 4.78 2.98 2.98 4.18 2.39 2.39 3.46 1.67 1.67 4.02 2.22 2.22 3.27 1.47 1.47 3.34 1.54 1.54 4.12 2.32 2.32 2.49 0.70 0.70 2.93 1.13 1.13 3.54 1.74 1.74 3.29 1.50 1.50 3.02 1.22 1.22 4.34 2.54 2.54 3.54 1.75 1.75 2.80 1.01 1.01 3.64 1.85 1.85 3.47 1.67 1.67 2.52 0.73 0.73 2.76 0.96 0.96 4.38 2.58 2.58 3.79 1.99 1.99 2.40 0.61 0.61 3.19 1.40 1.40 2.59 0.80 0.80 3.32 1.53 1.53 2.66 0.86 0.86 3.43 1.64 1.64 3.36 1.56 1.56 3.45 1.66 1.66 3.11 1.31 1.31 4.77 2.98 2.98 4.33 2.53 2.53 4.49 2.70 2.70 3.72 1.92 1.92 3.36 1.57 1.57 2.55 0.75 0.75 2.80 1.00 1.00 3.54 1.74 1.74 3.37 1.58 1.58 3.64 1.85 1.85 3.80 2.00 2.00 2.39 0.59 0.59 3.08 1.28 1.28 2.69 0.89 0.89 4.74 2.94 2.94 3.70 1.90 1.90 3.67 1.88 1.88 3.48 1.68 1.68 4.24 2.44 2.44 3.56 1.77 1.77 3.94 2.15 2.15 4.31 2.51 2.51 3.44 1.64 1.64 4.58 2.78 2.78 2.70 0.91 0.91 2.54 0.75 0.75 3.72 1.93 1.93 3.54 1.75 1.75 3.45 1.66 1.66 2.80 1.00 1.00 3.09 1.29 1.29 2.68 0.89 0.89 4.78 2.98 2.98 2.71 0.92 0.92 3.07 1.27 1.27 5.40 3.61 3.61 2.74 0.95 0.95 3.07 1.28 1.28 2.57 0.78 0.78 3.54 1.75 1.75 4.34 2.54 2.54 3.80 2.01 2.01 3.78 1.99 1.99 2.69 0.89 0.89 2.61 0.81 0.81 2.67 0.87 0.87 3.62 1.82 1.82 4.77 2.97 2.97 3.41 1.62 1.62 3.45 1.66 1.66 3.48 1.68 1.68 3.74 1.94 1.94 4.34 2.54 2.54 2.78 0.99 0.99 3.73 1.94 1.94 2.56 0.77 0.77 3.68 1.89 1.89 3.82 2.03 2.03 2.40 0.61 0.61 2.84 1.05 1.05 3.03 1.23 1.23 4.11 2.31 2.31 3.85 2.06 2.06 2.38 0.58 0.58 2.89 1.10 1.10 2.79 0.99 0.99 2.77 0.98 0.98 3.65 1.85 1.85 2.86 1.06 1.06 4.09 2.29 2.29 3.83 2.04 2.04 4.43 2.64 2.64 4.59 2.80 2.80 4.65 2.85 2.85 2.40 0.60 0.60 2.80 1.01 1.01 2.74 0.94 0.94 4.85 3.05 3.05 4.28 2.49 2.49 3.31 1.51 1.51 3.25 1.46 1.46 4.34 2.54 2.54 3.00 1.21 1.21 3.92 2.13 2.13 3.91 2.12 2.12 4.85 3.05 3.05 3.83 2.04 2.04 4.76 2.96 2.96 3.25 1.46 1.46 4.34 2.55 2.55 2.33 0.54 0.54 3.79 2.00 2.00 2.71 0.92 0.92 4.49 2.70 2.70 2.74 0.95 0.95 2.73 0.94 0.94 4.47 2.68 2.68 4.00 2.20 2.20 3.51 1.72 1.72 3.53 1.73 1.73 3.62 1.83 1.83 3.80 2.01 2.01 4.09 2.29 2.29 3.82 2.03 2.03 2.79 0.99 0.99 3.57 1.78 1.78 2.59 0.80 0.80 3.40 1.61 1.61 4.00 2.20 2.20 4.34 2.54 2.54 4.05 2.25 2.25 5.40 3.61 3.61 5.40 3.61 3.61 5.40 3.61 3.61 5.40 3.61 3.61 3.71 1.92 1.92 3.84 2.04 2.04 4.34 2.54 2.54 3.87 2.07 2.07 4.23 2.43 2.43 2.96 1.16 1.16 4.20 2.40 2.40 2.80 1.00 1.00 3.58 1.78 1.78 2.61 0.81 0.81 3.61 1.81 1.81 2.79 1.00 1.00 3.12 1.32 1.32 4.33 2.53 2.53 2.88 1.09 1.09 3.81 2.01 2.01 4.56 2.76 2.76 4.84 3.04 3.04 2.96 1.17 1.17 4.67 2.87 2.87 3.66 1.87 1.87 3.70 1.90 1.90 3.05 1.25 1.25 2.79 1.00 1.00 2.56 0.77 0.77 3.31 1.52 1.52 4.06 2.27 2.27 2.71 0.92 0.92 4.85 3.05 3.05 4.01 2.22 2.22 4.33 2.54 2.54 3.31 1.51 1.51 4.00 2.21 2.21 2.61 0.82 0.82 3.70 1.90 1.90 3.71 1.92 1.92 2.89 1.09 1.09 2.66 0.86 0.86 3.10 1.31 1.31 3.42 1.62 1.62 3.95 2.15 2.15 3.15 1.36 1.36 4.33 2.53 2.53 4.84 3.04 3.04 3.54 1.75 1.75 4.85 3.05 3.05 3.79 2.00 2.00 3.76 1.96 1.96 3.79 2.00 2.00 4.19 2.40 2.40 3.63 1.84 1.84 2.55 0.76 0.76 2.83 1.04 1.04 2.68 0.89 0.89 2.61 0.81 0.81 3.61 1.81 1.81 2.90 1.11 1.11 3.24 1.45 1.45 2.58 0.79 0.79 2.66 0.86 0.86 2.58 0.79 0.79 4.34 2.54 2.54 2.74 0.94 0.94 2.90 1.11 1.11 4.85 3.05 3.05 3.60 1.81 1.81 3.80 2.01 2.01 3.47 1.67 1.67 4.00 2.21 2.21 2.43 0.64 0.64 2.98 1.19 1.19 2.84 1.05 1.05 3.60 1.81 1.81 3.08 1.28 1.28 4.34 2.54 2.54 4.25 2.46 2.46 3.47 1.68 1.68 3.23 1.43 1.43 2.69 0.89 0.89

list of removed NOE constraints

   518-> ASP    48 HN   - GLU     49 HB*   1.80  6.02 	 # NoRestrctn S [2.00 6.01] -- sequential
   553-> MET    13 HN   - MET     13 HG*   1.80  6.38 	 # NoRestrctn I [2.29 6.01] -- intra 
   554-> ILE    14 HN   - ILE     14 HG1*  1.80  6.88 	 # NoRestrctn I [2.29 6.01] -- intra 
   561-> ARG    23 HN   - ARG     23 HG*   1.79  6.27 	 # NoRestrctn I [2.29 6.01] -- intra 
   564-> GLN    25 HN   - GLN     25 HG*   1.80  6.02 	 # NoRestrctn I [2.29 6.01] -- intra 
   587-> ARG    65 HN   - ARG     65 HG*   1.79  6.23 	 # NoRestrctn I [2.29 6.01] -- intra 
   608-> GLU    84 HN   - GLU     84 HG*   1.79  6.77 	 # NoRestrctn I [2.29 6.01] -- intra 
   614-> GLN    88 HN   - GLN     88 HG*   1.80  6.88 	 # NoRestrctn I [2.29 6.01] -- intra 
   618-> ARG    98 HN   - ARG     98 HG*   1.80  6.88 	 # NoRestrctn I [2.29 6.01] -- intra 
   646-> ARG   119 HN   - ARG    119 HD*   1.80  6.88 	 # NoRestrctn I [2.29 6.01] -- intra 
   697-> ILE    94 HN   - ILE     94 HD1*  1.79  6.05 	 # NoRestrctn I [2.29 6.01] -- intra 
   726-> TRP    54 HN   - ALA     55 HB*   1.80  6.12 	 # NoRestrctn S [2.00 6.01] -- sequential
   741-> GLU    76 HN   - ALA     77 HB*   1.79  6.23 	 # NoRestrctn S [2.00 6.01] -- sequential
   760-> HIS   111 HN   - ALA    112 HB*   1.79  6.91 	 # NoRestrctn S [2.00 6.01] -- sequential
   980-> ARG    53 HN   - ARG     53 HD*   1.80  6.88 	 # NoRestrctn I [2.29 6.01] -- intra 
  1001-> ARG    65 HN   - ARG     65 HD*   1.80  6.88 	 # NoRestrctn I [2.29 6.01] -- intra 
  1004-> LYS    72 HN   - LYS     72 HD*   1.80  6.88 	 # NoRestrctn I [2.29 6.01] -- intra 
  1052-> LYS   114 HN   - LYS    114 HD*   1.80  6.88 	 # NoRestrctn I [2.29 6.01] -- intra 
  1167-> LEU     7 HN   - LEU      7 HD1*  1.80  7.02 	 # NoRestrctn I [2.29 6.01] -- intra 
  1205-> LEU    61 HN   - LEU     61 HD2*  1.80  6.66 	 # NoRestrctn I [2.29 6.01] -- intra 
  1240-> LEU    85 HA   - LEU     85 HD1*  1.80  7.02 	 # NoRestrctn I [2.11 5.99] -- intra 
  1241-> LEU    85 HN   - LEU     85 HD2*  1.79  6.33 	 # NoRestrctn I [2.29 6.01] -- intra 
  1384-> ALA    43 HB*  - VAL     44 HA    1.79  6.55 	 # NoRestrctn S [2.00 6.01] -- sequential
  1415-> ALA    55 HB*  - GLU     56 HA    1.80  7.02 	 # NoRestrctn S [2.00 6.01] -- sequential
  1423-> GLY    57 HN   - ALA     58 HB*   1.79  6.87 	 # NoRestrctn S [2.00 6.01] -- sequential
  1463-> LEU     6 HA   - LEU      6 HD2*  1.80  6.48 	 # NoRestrctn I [2.11 5.99] -- intra 
  1517-> ALA    77 HB*  - VAL     78 HA    1.79  6.01 	 # NoRestrctn S [2.00 6.01] -- sequential
  1716-> ILE   117 HN   - ALA    118 HB*   1.80  7.02 	 # NoRestrctn S [2.00 6.01] -- sequential
  1894-> GLU    26 HN   - GLU     26 HG*   1.80  6.88 	 # NoRestrctn I [2.29 6.01] -- intra 
  1901-> LYS    41 HB*  - PRO     42 HD*   1.79  6.71 	 # NoRestrctn S [2.00 5.99] -- sequential
 ====== TOTAL ======:  30

table of distance constraints violations


  Residual Violations greater than 0.10 

    5-> GLU      8 HN   - GLU      8 HB3  [ 1.80  3.48]  0.09  0.08  0.09  0.09  0.10  0.10  0.09  0.09  0.11  0.08  0.09  0.00  0.00  0.09  0.10  0.00  0.00  0.00  0.09  0.10 -  15 [ 0.08 ..  0.11]
   69-> GLU     18 HN   - GLU     18 HB3  [ 1.79  3.37]  0.18  0.18  0.17  0.18  0.18  0.15  0.17  0.18  0.18  0.18  0.19  0.18  0.17  0.18  0.18  0.18  0.17  0.15  0.19  0.17 -  20 [ 0.15 ..  0.19]
  118-> PHE     37 HN   - GLU     38 HN   [ 1.79  4.31]  0.11  0.00  0.00  0.00  0.14  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.23  0.00  0.00  0.00  0.00  0.00 -   3 [ 0.11 ..  0.23]
  142-> GLU     46 HN   - GLU     46 HB3  [ 1.79  3.23]  0.32  0.31  0.32  0.31  0.31  0.33  0.32  0.31  0.31  0.31  0.30  0.30  0.32  0.31  0.34  0.35  0.33  0.35  0.35  0.34 -  20 [ 0.30 ..  0.35]
  166-> GLU     46 HA   - LEU     50 HN   [ 1.80  4.16]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.11  0.00  0.02  0.21  0.14  0.00  0.00  0.06  0.00  0.00  0.00  0.00  0.08 -   7 [ 0.00 ..  0.21]
  172-> LEU     50 HN   - LEU     50 HB3  [ 1.80  3.26]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.07  0.00  0.00  0.13  0.03  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   3 [ 0.03 ..  0.13]
  177-> LEU     50 HB2  - ALA     51 HN   [ 1.80  3.44]  0.27  0.22  0.24  0.19  0.20  0.17  0.21  0.00  0.23  0.21  0.00  0.00  0.19  0.17  0.19  0.21  0.26  0.25  0.25  0.00 -  16 [ 0.17 ..  0.27]
  190-> ARG     53 HN   - ARG     53 HB3  [ 1.80  3.16]  0.40  0.42  0.40  0.39  0.37  0.42  0.40  0.37  0.38  0.41  0.40  0.39  0.40  0.38  0.40  0.41  0.26  0.41  0.41  0.39 -  20 [ 0.26 ..  0.42]
  209-> GLU     56 HN   - GLU     56 HB3  [ 1.79  3.23]  0.27  0.26  0.31  0.30  0.32  0.30  0.29  0.26  0.29  0.30  0.31  0.30  0.31  0.26  0.29  0.27  0.25  0.26  0.00  0.30 -  19 [ 0.25 ..  0.32]
  220-> LEU     59 HN   - LEU     59 HB3  [ 1.80  3.30]  0.24  0.24  0.25  0.24  0.25  0.24  0.24  0.25  0.24  0.25  0.25  0.24  0.25  0.25  0.24  0.25  0.24  0.24  0.24  0.24 -  20 [ 0.24 ..  0.25]
  229-> LEU     59 HB3  - GLU     60 HN   [ 1.80  3.44]  0.04  0.01  0.04  0.05  0.06  0.02  0.00  0.05  0.03  0.07  0.10  0.00  0.03  0.04  0.05  0.07  0.06  0.04  0.04  0.04 -  18 [ 0.01 ..  0.10]
  277-> GLN     74 HA   - GLU     76 HN   [ 1.80  4.38]  0.00  0.04  0.08  0.08  0.00  0.10  0.07  0.05  0.00  0.08  0.07  0.01  0.04  0.04  0.10  0.11  0.01  0.05  0.08  0.03 -  17 [ 0.01 ..  0.11]
  304-> ASP     80 HN   - ASP     80 HB3  [ 1.80  3.12]  0.44  0.44  0.44  0.44  0.43  0.43  0.44  0.45  0.44  0.43  0.40  0.44  0.43  0.43  0.43  0.44  0.44  0.44  0.41  0.44 -  20 [ 0.40 ..  0.45]
  344-> LEU     85 HB2  - VAL     86 HN   [ 1.80  3.62]  0.05  0.20  0.04  0.20  0.14  0.14  0.14  0.20  0.23  0.18  0.21  0.03  0.18  0.18  0.18  0.21  0.19  0.20  0.22  0.17 -  20 [ 0.03 ..  0.23]
  388-> LYS    100 HB2  - ASP    101 HN   [ 1.80  3.70]  0.12  0.00  0.17  0.13  0.00  0.00  0.00  0.00  0.00  0.16  0.12  0.00  0.20  0.00  0.11  0.00  0.10  0.16  0.00  0.00 -   9 [ 0.10 ..  0.20]
  391-> ASP    101 HN   - ASP    101 HB3  [ 1.80  3.30]  0.22  0.26  0.25  0.25  0.26  0.25  0.26  0.27  0.25  0.26  0.26  0.00  0.26  0.26  0.26  0.27  0.25  0.25  0.26  0.25 -  19 [ 0.22 ..  0.27]
  409-> ASP    101 HA   - SER    105 HN   [ 1.79  3.91]  0.00  0.03  0.07  0.00  0.00  0.00  0.01  0.02  0.00  0.01  0.00  0.02  0.07  0.00  0.01  0.15  0.03  0.00  0.00  0.00 -  10 [ 0.01 ..  0.15]
  414-> GLU    104 HB2  - SER    105 HN   [ 1.79  3.59]  0.00  0.21  0.16  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.22  0.15  0.00  0.00  0.24  0.00  0.00  0.00  0.00 -   5 [ 0.15 ..  0.24]
  428-> GLU    104 HA   - TYR    108 HN   [ 1.80  3.70]  0.11  0.08  0.09  0.06  0.05  0.09  0.10  0.09  0.06  0.06  0.13  0.08  0.09  0.07  0.05  0.15  0.07  0.06  0.07  0.09 -  20 [ 0.05 ..  0.15]
  463-> LEU    110 HA   - ALA    112 HN   [ 1.80  4.24]  0.11  0.07  0.09  0.01  0.12  0.02  0.01  0.07  0.07  0.03  0.07  0.05  0.04  0.10  0.07  0.13  0.04  0.00  0.04  0.06 -  19 [ 0.01 ..  0.13]
  488-> ASP    115 HN   - ASP    115 HB3  [ 1.80  3.30]  0.25  0.26  0.00  0.25  0.00  0.25  0.25  0.00  0.24  0.25  0.00  0.00  0.27  0.00  0.00  0.26  0.26  0.26  0.00  0.26 -  12 [ 0.24 ..  0.27]
  514-> ARG     23 HB2  - GLN     25 HN   [ 1.80  5.60]  0.17  0.12  0.13  0.00  0.14  0.09  0.18  0.20  0.13  0.18  0.12  0.10  0.00  0.12  0.14  0.13  0.09  0.23  0.10  0.11 -  18 [ 0.09 ..  0.23]
  523-> VAL     70 HN   - ALA    112 HA   [ 1.80  5.28]  0.06  0.07  0.10  0.00  0.00  0.00  0.06  0.10  0.05  0.00  0.12  0.01  0.34  0.00  0.06  0.09  0.04  0.00  0.61  0.00 -  14 [ 0.00 ..  0.61]
  535-> VAL    113 HN   - LYS    114 HB3  [ 1.79  4.63]  0.02  0.05  0.04  0.01  0.04  0.05  0.04  0.06  0.08  0.07  0.09  0.03  0.10  0.05  0.05  0.00  0.10  0.05  0.00  0.03 -  18 [ 0.01 ..  0.10]
  536-> GLU    116 HN   - ARG    119 HB3  [ 1.80  4.74]  0.07  0.11  0.00  0.09  0.00  0.04  0.08  0.01  0.04  0.01  0.07  0.01  0.03  0.00  0.03  0.21  0.00  0.00  0.07  0.09 -  16 [ 0.00 ..  0.21]
  541-> GLU      8 HN   - GLU      8 HG2  [ 1.80  4.38]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.15  0.14  0.00  0.00  0.19  0.13  0.14  0.00  0.00 -   5 [ 0.13 ..  0.19]
  574-> LEU     50 HG   - ALA     51 HN   [ 1.80  4.78]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.19  0.00  0.00  0.27  0.15  0.00  0.00  0.05  0.00  0.00  0.00  0.00  0.14 -   5 [ 0.05 ..  0.27]
  636-> GLU    116 HN   - GLU    116 HG2  [ 1.79  4.45]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.23  0.06  0.00  0.23  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   3 [ 0.06 ..  0.23]
  653-> GLU     18 HN   - LEU    107 HG   [ 1.80  5.24]  0.03  0.04  0.04  0.05  0.04  0.01  0.05  0.07  0.10  0.06  0.21  0.03  0.11  0.03  0.06  0.10  0.05  0.05  0.00  0.00 -  19 [ 0.00 ..  0.21]
  669-> LEU     85 HG   - THR    103 HN   [ 1.80  6.00]  0.00  0.01  0.00  0.00  0.03  0.00  0.00  0.00  0.02  0.02  0.00  0.00  0.00  0.01  0.00  0.00  0.01  0.00  0.10  0.01 -   8 [ 0.01 ..  0.10]
  771-> GLU      8 HA   - GLU     11 HB3  [ 1.80  3.80]  0.09  0.06  0.04  0.06  0.09  0.08  0.06  0.21  0.03  0.07  0.36  0.11  0.14  0.06  0.01  0.03  0.09  0.14  0.04  0.12 -  20 [ 0.01 ..  0.36]
  773-> THR     10 HA   - MET     13 HB3  [ 1.80  4.24]  0.08  0.11  0.09  0.09  0.10  0.10  0.10  0.17  0.00  0.00  0.11  0.11  0.00  0.13  0.00  0.11  0.06  0.11  0.10  0.09 -  16 [ 0.06 ..  0.17]
  786-> GLU     15 HA   - GLU     18 HB3  [ 1.79  4.09]  0.07  0.08  0.12  0.08  0.11  0.08  0.09  0.14  0.05  0.09  0.10  0.06  0.11  0.04  0.09  0.10  0.09  0.10  0.09  0.07 -  20 [ 0.04 ..  0.14]
  797-> ASP     22 HA   - GLN     25 HB3  [ 1.80  3.80]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.13  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.13 ..  0.13]
  799-> GLY     20 HA3  - ARG     23 HB3  [ 1.79  4.85]  0.00  0.00  0.00  0.13  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.40  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.13 ..  0.40]
  803-> GLU     38 HN   - GLU     38 HB3  [ 1.80  3.66]  0.44  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.01  0.00  0.00  0.04  0.00  0.45 -   4 [ 0.01 ..  0.45]
  804-> GLU     38 HA   - GLU     38 HB3  [ 1.79  2.83]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.17  0.18  0.00  0.00  0.18  0.00 -   3 [ 0.17 ..  0.18]
  806-> GLU     38 HN   - GLU     38 HB2  [ 1.80  3.34]  0.07  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.12  0.01 -   3 [ 0.01 ..  0.12]
  818-> GLU     46 HB3  - ASN     47 HN   [ 1.79  3.23]  0.18  0.18  0.19  0.23  0.15  0.19  0.24  0.10  0.21  0.13  0.08  0.13  0.17  0.18  0.05  0.10  0.27  0.21  0.13  0.12 -  20 [ 0.05 ..  0.27]
  830-> LEU     50 HA   - ARG     53 HB3  [ 1.79  4.13]  0.31  0.55  0.14  0.25  0.35  0.34  0.30  0.21  0.16  0.27  0.21  0.20  0.21  0.31  0.22  0.22  0.12  0.38  0.40  0.18 -  20 [ 0.12 ..  0.55]
  840-> ARG     53 HA   - GLU     56 HB3  [ 1.80  3.98]  0.08  0.11  0.08  0.09  0.12  0.12  0.08  0.13  0.13  0.11  0.16  0.13  0.10  0.10  0.17  0.17  0.05  0.11  0.00  0.12 -  19 [ 0.05 ..  0.17]
  855-> VAL     70 HB   - HIS     71 HN   [ 1.80  4.02]  0.05  0.05  0.00  0.00  0.07  0.00  0.07  0.08  0.03  0.01  0.03  0.05  0.16  0.06  0.02  0.00  0.01  0.08  0.06  0.06 -  16 [ 0.01 ..  0.16]
  866-> VAL     78 HA   - ASN     81 HB3  [ 1.80  3.98]  0.04  0.05  0.10  0.02  0.07  0.06  0.12  0.07  0.10  0.12  0.11  0.07  0.06  0.12  0.12  0.12  0.01  0.06  0.24  0.07 -  20 [ 0.01 ..  0.24]
  869-> LYS     79 HA   - PHE     82 HB2  [ 1.80  3.84]  0.04  0.09  0.09  0.06  0.02  0.05  0.02  0.12  0.04  0.08  0.06  0.03  0.10  0.05  0.09  0.03  0.06  0.07  0.00  0.10 -  19 [ 0.02 ..  0.12]
  885-> ASP    101 HA   - GLU    104 HB3  [ 1.79  3.77]  0.13  0.00  0.00  0.16  0.17  0.14  0.12  0.18  0.22  0.27  0.20  0.00  0.00  0.11  0.28  0.00  0.12  0.15  0.09  0.15 -  15 [ 0.09 ..  0.28]
  891-> GLU    104 HA   - LEU    107 HB3  [ 1.80  4.20]  0.03  0.08  0.00  0.07  0.09  0.07  0.00  0.03  0.05  0.11  0.00  0.05  0.05  0.03  0.09  0.06  0.01  0.06  0.00  0.04 -  16 [ 0.01 ..  0.11]
  916-> GLU    116 HA   - ARG    119 HB2  [ 1.79  3.37]  0.00  0.00  0.00  0.03  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.04  0.02  0.14  0.06  0.04  0.00  0.00  0.00 -   6 [ 0.02 ..  0.14]
  921-> GLU    120 HA   - GLU    120 HB3  [ 1.79  2.87]  0.14  0.14  0.15  0.00  0.00  0.00  0.14  0.14  0.00  0.00  0.00  0.00  0.00  0.00  0.14  0.14  0.00  0.00  0.00  0.00 -   7 [ 0.14 ..  0.15]
  927-> LYS     63 HN   - VAL     64 HB   [ 1.79  4.63]  0.05  0.04  0.05  0.06  0.07  0.04  0.04  0.10  0.01  0.09  0.07  0.01  0.06  0.04  0.06  0.11  0.10  0.07  0.11  0.08 -  20 [ 0.01 ..  0.11]
  932-> GLU    120 HA   - GLU    120 HB2  [ 1.79  2.87]  0.00  0.00  0.00  0.13  0.13  0.13  0.00  0.00  0.14  0.13  0.13  0.14  0.13  0.14  0.00  0.00  0.14  0.13  0.13  0.14 -  13 [ 0.13 ..  0.14]
  934-> GLU     11 HN   - GLU     11 HG3  [ 1.80  3.70]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.12  0.00  0.00 -   1 [ 0.12 ..  0.12]
  936-> GLN     12 HA   - GLN     12 HG2  [ 1.79  3.73]  0.13  0.10  0.03  0.11  0.11  0.11  0.12  0.11  0.12  0.10  0.12  0.02  0.11  0.12  0.00  0.00  0.11  0.10  0.11  0.13 -  18 [ 0.02 ..  0.13]
  952-> LYS     19 HN   - LYS     19 HG2  [ 1.80  4.34]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.13  0.00  0.00  0.00  0.00 -   1 [ 0.13 ..  0.13]
  954-> LYS     19 HN   - LYS     19 HG3  [ 1.80  4.34]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.12  0.00  0.00  0.00  0.00 -   1 [ 0.12 ..  0.12]
  962-> GLU     38 HN   - GLU     38 HG2  [ 1.79  4.63]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.17  0.00  0.00  0.00  0.07  0.00 -   2 [ 0.07 ..  0.17]
  964-> GLU     38 HN   - GLU     38 HG3  [ 1.79  4.63]  0.03  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.12  0.09 -   3 [ 0.03 ..  0.12]
  965-> GLU     38 HA   - GLU     38 HG3  [ 1.80  3.66]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.02  0.00  0.12  0.00  0.10  0.00  0.00  0.00  0.00  0.00  0.03  0.00  0.00 -   4 [ 0.02 ..  0.12]
  973-> GLU     49 HN   - GLU     49 HG2  [ 1.80  3.48]  0.09  0.08  0.08  0.07  0.08  0.08  0.08  0.11  0.08  0.09  0.14  0.09  0.04  0.08  0.10  0.08  0.07  0.08  0.11  0.08 -  20 [ 0.04 ..  0.14]
  979-> ARG     53 HN   - ARG     53 HG2  [ 1.80  4.16]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.18  0.00  0.00  0.00 -   1 [ 0.18 ..  0.18]
  984-> GLU     56 HN   - GLU     56 HG2  [ 1.80  3.98]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.54  0.00 -   1 [ 0.54 ..  0.54]
  986-> GLU     56 HN   - GLU     56 HG3  [ 1.80  3.98]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.37  0.00 -   1 [ 0.37 ..  0.37]
 1041-> GLU    104 HN   - GLU    104 HG2  [ 1.80  4.34]  0.00  0.20  0.09  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.19  0.10  0.00  0.00  0.19  0.00  0.00  0.00  0.00 -   5 [ 0.09 ..  0.20]
 1092-> PHE     36 HE*  - LYS     41 HB*  [ 1.79  9.01]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  1.07  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 1.07 ..  1.07]
 1149-> TYR     24 HA   - HIS     92 HD2  [ 1.80  6.00]  0.00  0.80  0.00  0.05  0.00  0.87  0.00  0.00  0.10  0.00  0.00  1.02  0.00  0.85  0.29  0.52  0.00  0.00  0.00  0.00 -   8 [ 0.05 ..  1.02]
 1161-> LEU    110 HG   - HIS    111 HD2  [ 1.80  6.00]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.26  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.26 ..  0.26]
 1162-> LEU    107 HB2  - HIS    111 HD2  [ 1.80  6.00]  0.00  0.07  0.00  0.00  0.10  0.13  0.00  0.00  0.00  0.07  0.17  0.00  0.00  0.09  0.00  0.30  0.02  0.00  0.20  0.02 -  10 [ 0.02 ..  0.30]
 1208-> LEU     61 HA   - LEU     61 HD1* [ 1.79  3.63]  0.00  0.00  0.00  0.22  0.00  0.00  0.00  0.00  0.00  0.00  0.22  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.22 ..  0.22]
 1306-> GLN     12 HG3  - LEU     50 HD2* [ 1.80  4.68]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.19  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.19 ..  0.19]
 1337-> VAL     16 HG2* - ASN     47 HD21 [ 1.79  5.33]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.03  0.01  0.10  0.02  0.00  0.00  0.06  0.00  0.00  0.00  0.01  0.00 -   7 [ 0.00 ..  0.10]
 1401-> GLU     46 HB2  - LEU     50 HD1* [ 1.80  5.58]  0.70  0.38  0.77  0.30  0.40  0.59  0.47  0.00  0.49  0.84  0.03  0.00  0.37  0.65  0.00  0.33  0.39  0.34  0.77  0.01 -  19 [ 0.00 ..  0.84]
 1451-> ILE     62 HG2* - LYS     72 HB3  [ 1.79  6.41]  0.00  0.05  0.00  0.00  0.00  0.01  0.03  0.00  0.00  0.03  0.03  0.10  0.06  0.03  0.00  0.00  0.00  0.01  0.00  0.05 -  10 [ 0.01 ..  0.10]
 1452-> ILE     62 HG2* - LYS     72 HB2  [ 1.79  6.41]  0.00  0.13  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.07  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.09 -   3 [ 0.07 ..  0.13]
 1461-> LEU      6 HD2* - ALA     58 HA   [ 1.80  5.04]  0.00  0.00  0.02  0.01  0.00  0.00  0.00  0.48  0.07  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.37  0.00 -   5 [ 0.01 ..  0.48]
 1483-> VAL     70 HG2* - GLN     74 HB2  [ 1.79  4.61]  0.00  0.00  0.02  0.00  0.00  0.00  0.09  0.00  0.00  0.00  0.00  0.00  0.12  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   3 [ 0.02 ..  0.12]
 1582-> VAL     91 HG1* - HIS     93 HN   [ 1.79  5.83]  0.14  0.07  0.04  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   3 [ 0.04 ..  0.14]
 1584-> VAL     91 HG1* - HIS     92 HD2  [ 1.80  7.02]  0.00  0.00  0.00  0.00  0.00  0.00  1.01  0.73  0.00  0.00  0.00  0.00  0.86  0.00  0.00  0.00  0.00  0.86  0.70  0.27 -   6 [ 0.27 ..  1.01]
 1586-> VAL     91 HG2* - HIS     92 HD2  [ 1.80  7.02]  0.00  0.00  0.00  0.00  0.35  0.00  0.00  0.00  0.00  0.00  0.81  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.35 ..  0.81]
 1587-> GLN     88 HA   - VAL     91 HG2* [ 1.79  4.03]  0.00  0.00  0.56  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.56 ..  0.56]
 1598-> HIS     93 HD2  - ILE     94 HG2* [ 1.79  6.77]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.65  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.65 ..  0.65]
 1759-> ALA     17 HA   - LEU     85 HD1* [ 1.80  4.90]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.06  0.00  0.00  0.11  0.00  0.00  0.00  0.00  0.10  0.00  0.00  0.03  0.00 -   4 [ 0.03 ..  0.11]
 1772-> MET     13 HE*  - LEU     50 HG   [ 1.80  5.36]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.07  0.00  0.00  0.04  0.09  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.11 -   4 [ 0.04 ..  0.11]
 1776-> LEU      7 HG   - ILE    117 HD1* [ 1.80  7.02]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.10  0.00 -   1 [ 0.10 ..  0.10]
 1789-> LEU      7 HD1* - LYS    114 HB3  [ 1.79  5.07]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.16  0.00 -   1 [ 0.16 ..  0.16]
 1816-> LEU     87 HD2* - HIS     93 HD2  [ 1.80  7.02]  0.00  0.00  0.00  0.66  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.55  0.00  0.00  0.77  0.00  0.00  0.61  0.73  0.75 -   6 [ 0.55 ..  0.77]
 1817-> HIS     93 HD2  - ILE     94 HD1* [ 1.80  7.02]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.76  0.00  0.00  0.00  0.70  0.00  0.00  0.00  0.00  0.00  0.42  0.00 -   3 [ 0.42 ..  0.76]
 1824-> VAL     91 HG2* - HIS     93 HD2  [ 1.79  6.37]  0.00  0.00  0.00  0.00  0.06  0.00  0.00  0.00  0.00  0.00  0.56  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.06 ..  0.56]
 1935-> GLU     56 HN   - GLU     56 HG*  [ 1.79  3.81]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.13  0.00 -   1 [ 0.13 ..  0.13]
 1962-> LYS     63 HD*  - VAL     64 HB   [ 1.80  6.38]  0.00  0.00  0.00  0.18  0.16  0.16  0.14  0.17  0.15  0.00  0.15  0.15  0.11  0.16  0.12  0.00  0.00  0.19  0.30  0.14 -  14 [ 0.11 ..  0.30]
 1963-> LYS     63 HD*  - VAL     64 HG1* [ 1.79  5.85]  0.07  0.00  0.00  0.37  0.41  0.38  0.38  0.38  0.44  0.00  0.40  0.38  0.35  0.42  0.37  0.00  0.14  0.38  0.55  0.35 -  16 [ 0.07 ..  0.55]
 1978-> HIS     71 HD2  - GLU     73 HB*  [ 1.80  5.94]  0.00  0.00  0.00  0.00  0.00  0.23  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.23 ..  0.23]
 2120-> VAL     78 O    - PHE     82 HN   [ 1.80  2.30]  0.03  0.08  0.07  0.05  0.07  0.07  0.06  0.04  0.06  0.08  0.00  0.06  0.06  0.10  0.08  0.04  0.07  0.10  0.05  0.10 -  19 [ 0.03 ..  0.10]
 2121-> VAL     78 O    - PHE     82 N    [ 2.70  3.30]  0.01  0.09  0.07  0.06  0.07  0.07  0.07  0.05  0.08  0.09  0.00  0.06  0.05  0.10  0.09  0.04  0.07  0.10  0.11  0.09 -  19 [ 0.01 ..  0.11]
 2153-> LEU    110 O    - LYS    114 N    [ 2.70  3.30]  0.00  0.00  0.00  0.00  0.01  0.00  0.00  0.00  0.00  0.00  0.10  0.00  0.00  0.01  0.00  0.00  0.00  0.00  0.00  0.00 -   3 [ 0.01 ..  0.10]
   -------------------------------------------  
       Number of Violations greater than 0.10              22    23    17    22    23    24    22    27    25    22    38    24    32    22    28    33    20    28    35    26
   -------------------------------------------  

        ----  Summary Of Residual Distance Constraint Violations ---- 
                      Mod  1 Mod  2 Mod  3 Mod  4 Mod  5 Mod  6 Mod  7 Mod  8 Mod  9 Mod 10 Mod 11 Mod 12 Mod 13 Mod 14 Mod 15 Mod 16 Mod 17 Mod 18 Mod 19 Mod 20       Averages   
                      ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~     ~~~~~~~~~~~  
      0.1 - 0.2  ang:     11     10      8      9     13     12      9     14     10     11     19     14     17     12     16     18     10     12     15     15        12.75
      0.2 - 0.5  ang:     10     11      7     12     10     10     12     11     14     10     16      8     13      8     11     14     10     14     14     10        11.25
        > 0.5    ang:      1      2      2      1      0      2      1      2      1      1      3      2      2      2      1      1      0      2      6      1         1.65
        Total       :     78     78     72     72     75     77     79     77     77     77     86     84     85     77     78     81     79     78     90     83        79.15
 Minimum Violation  :  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000        0.000
 Maximum Violation  :  0.701  0.796  0.770  0.665  0.434  0.871  1.005  0.730  0.760  0.836  1.074  1.023  0.856  0.846  0.770  0.520  0.438  0.864  0.773  0.745        1.074
    Max  Intra Viol :  0.444  0.440  0.439  0.439  0.434  0.431  0.437  0.446  0.439  0.426  0.404  0.443  0.434  0.435  0.431  0.441  0.438  0.440  0.540  0.447        0.540
    Max  Seque Viol :  0.270  0.222  0.242  0.371  0.410  0.383  1.005  0.730  0.760  0.213  0.815  0.381  0.856  0.420  0.366  0.243  0.265  0.864  0.699  0.348        1.005
    Max Medium Viol :  0.701  0.553  0.770  0.300  0.399  0.590  0.474  0.212  0.491  0.836  0.562  0.198  0.395  0.652  0.278  0.326  0.389  0.379  0.773  0.178        0.836
    Max   Long Viol :  0.085  0.796  0.096  0.665  0.060  0.871  0.087  0.481  0.103  0.058  1.074  1.023  0.335  0.846  0.770  0.520  0.049  0.615  0.728  0.745        1.074
 Average Violation  :  0.004  0.004  0.003  0.004  0.003  0.004  0.004  0.004  0.004  0.003  0.005  0.004  0.005  0.004  0.004  0.004  0.003  0.004  0.006  0.004      0.00400
    Avge Intra Viol :  0.008  0.008  0.006  0.007  0.006  0.007  0.007  0.007  0.007  0.007  0.007  0.007  0.007  0.006  0.007  0.009  0.007  0.007  0.009  0.008      0.00736
    Avge Seque Viol :  0.005  0.005  0.006  0.004  0.005  0.006  0.005  0.005  0.004  0.006  0.007  0.003  0.005  0.006  0.004  0.006  0.003  0.005  0.006  0.004      0.00508
    Avge Mediu Viol :  0.002  0.002  0.001  0.002  0.003  0.002  0.003  0.004  0.003  0.001  0.004  0.002  0.005  0.002  0.002  0.002  0.002  0.004  0.004  0.002      0.00261
    Avge  Long Viol :  0.001  0.003  0.000  0.002  0.000  0.002  0.001  0.002  0.001  0.000  0.004  0.004  0.001  0.002  0.003  0.002  0.000  0.002  0.005  0.002      0.00189
 RMS     Violation  :  0.030  0.033  0.030  0.030  0.028  0.034  0.035  0.034  0.032  0.030  0.043  0.035  0.037  0.034  0.031  0.030  0.024  0.036  0.046  0.031      0.03345
   RMS   Intra      :  0.048  0.044  0.042  0.044  0.041  0.043  0.043  0.041  0.044  0.044  0.043  0.042  0.044  0.041  0.043  0.047  0.041  0.044  0.052  0.049      0.04413
   RMS   Sequential :  0.038  0.034  0.046  0.023  0.030  0.036  0.030  0.024  0.028  0.044  0.039  0.017  0.031  0.036  0.024  0.031  0.022  0.030  0.044  0.019      0.03227
   RMS Medium range :  0.015  0.016  0.015  0.021  0.024  0.019  0.042  0.041  0.036  0.014  0.039  0.019  0.046  0.021  0.020  0.017  0.018  0.039  0.041  0.020      0.02840
   RMS  Long range  :  0.006  0.037  0.005  0.031  0.004  0.040  0.006  0.023  0.008  0.004  0.051  0.054  0.017  0.039  0.039  0.025  0.004  0.029  0.048  0.035      0.03035


 Final --global-- Summary for 20 models, 2161 NOEs/model, 43220 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 
     Summ of viol :    172.711
    Summ sq. viol :     48.365
     Maximum viol :      1.074
     Average viol :    0.00400
        RMSD viol :    0.03345
   Std. Dev. viol :    0.03321
      RMS   Intra :    0.04413 
      RMS   Seque :    0.03227 
      RMS   Medi  :    0.02840 
      RMS   Long  :    0.03035

table of dihedral angle constraints violations

    1-> [LEU  A   7] PHI    -77.0  -53.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    2.5    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0 -   1 [   0.0 ..    2.5] 

    ----  ACOSummary Of Residual ACO Constraint Violations ---- 

                      Mod  1 Mod  2 Mod  3 Mod  4 Mod  5 Mod  6 Mod  7 Mod  8 Mod  9 Mod 10 Mod 11 Mod 12 Mod 13 Mod 14 Mod 15 Mod 16 Mod 17 Mod 18 Mod 19 Mod 20        Averages  
                      ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~      ~~~~~~~~~~~ 
 1 - 10.  degrees   :      0      0      0      0      0      0      0      0      0      0      1      0      0      0      0      0      0      0      0      0          0.05
   > 10.  degrees   :      0      0      0      0      0      0      0      0      0      0      0      0      0      0      0      0      0      0      0      0          0.00
        Total       :      0      0      0      0      0      0      0      0      0      0      1      0      0      0      0      0      0      0      0      0          0.05
 Minimum Violation  :    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0          0.00
 Maximum Violation  :    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    2.5    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0          2.52
     Max   PHI Viol :    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    2.5    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0          2.52
     Max   PSI Viol :    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0          0.00
 Average Violation  :    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0         0.001
     Avge  PHI Viol :  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.167  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000         0.037
     Avge  PSI Viol :  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000         0.000
 RMS     Violation  :  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.191  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000         0.043
      RMS  PHI Viol :  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.264  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000         0.059
      RMS  PSI Viol :  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000         0.000


 Final --global-- Summary for 20 models, 175 ACOs/model, 3500 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 
      Summ. Viol. :       2.52
  Summ. Sq. Viol. :       6.37
      Max.  Viol. :      2.523
      Avg.  Viol. :    0.00072
      RMS   Viol. :    0.04265
  Std. Dev. Viol. :    0.04264

JPEG image for inter-residue distance constraints per residue plot

S(phi)|S(psi) V/S Residue number

Text output from PDBStat of phi psi order


#     CHAIN                                                              .GT.  SUM.GT.
#  RES  ID DIH  S(phi)  S(psi)  S(chi1) S(chi2) S(chi3) S(chi4) S(chi5)  0.90     1.6 
#  ----------------------------------------------------------------------------------- 
   MET  A   1           0.290   0.790   0.569   0.380                                
   LEU  A   2   0.596   0.567   0.474   0.567                                        
   SER  A   3   0.457   0.440   0.195                                                
   GLN  A   4   0.594   0.470   0.637   0.226   0.740                                
   THR  A   5   0.394   0.275   0.429                                                
   LEU  A   6   0.693   0.936   0.766   0.799                                        
   LEU  A   7   0.998   0.998   0.999   0.999                               7        7 
   GLU  A   8   0.999   0.999   0.709   0.999   0.999                       8        8 
   MET  A   9   1.000   0.998   0.773   0.983   0.385                       9        9 
   THR  A  10   1.000   1.000   1.000                                      10       10 
   GLU  A  11   1.000   1.000   0.999   0.820   0.910                      11       11 
   GLN  A  12   1.000   1.000   1.000   0.864   0.976                      12       12 
   MET  A  13   1.000   1.000   0.797   0.927   0.441                      13       13 
   ILE  A  14   1.000   1.000   1.000   1.000                              14       14 
   GLU  A  15   1.000   1.000   1.000   0.999   0.912                      15       15 
   VAL  A  16   1.000   1.000   1.000                                      16       16 
   ALA  A  17   1.000   1.000                                              17       17 
   GLU  A  18   1.000   1.000   1.000   1.000   1.000                      18       18 
   LYS  A  19   1.000   0.999   0.940   0.864   0.935   0.999              19       19 
   GLY  A  20   1.000   0.999                                              20       20 
   ALA  A  21   1.000   1.000                                              21       21 
   ASP  A  22   1.000   1.000   1.000   1.000                              22       22 
   ARG  A  23   1.000   1.000   0.913   0.645   0.241   0.455   1.000      23       23 
   TYR  A  24   0.999   1.000   0.994   0.895                              24       24 
   GLN  A  25   1.000   0.999   0.940   0.688   0.944                      25       25 
   GLU  A  26   0.998   0.995   0.935   0.843   0.957                      26       26 
   GLY  A  27   0.387   0.242                                                        
   LYS  A  28   0.542   0.381   0.472   0.797   0.999   0.999                        
   ASN  A  29   0.695   0.199   0.497   0.833                                        
   SER  A  30   0.655   0.360   0.193                                                
   ASN  A  31   0.672   0.366   0.582   0.921                                        
   HIS  A  32   0.750   0.568   0.392   0.845                                        
   SER  A  33   0.458   0.428   0.419                                                
   TYR  A  34   0.550   0.340   0.432   0.650                                        
   ASP  A  35   0.625   0.502   0.727   0.816                                        
   PHE  A  36   0.136   0.367   0.505   0.980                                        
   PHE  A  37   0.474   0.583   0.489   0.980                                        
   GLU  A  38   0.637   0.954   0.818   0.599   0.820                                
   THR  A  39   0.986   0.961   0.651                                      39       39 
   ILE  A  40   0.977   0.668   0.993   0.562                                        
   LYS  A  41   0.648   0.994   0.996   0.937   0.998   0.650                        
   PRO  A  42   0.991   0.993   0.909   0.822                              42       42 
   ALA  A  43   1.000   0.999                                              43       43 
   VAL  A  44   1.000   1.000   1.000                                      44       44 
   GLU  A  45   1.000   1.000   1.000   0.999   1.000                      45       45 
   GLU  A  46   1.000   1.000   1.000   1.000   1.000                      46       46 
   ASN  A  47   1.000   0.999   1.000   0.956                              47       47 
   ASP  A  48   1.000   1.000   1.000   1.000                              48       48 
   GLU  A  49   0.999   0.998   1.000   0.999   1.000                      49       49 
   LEU  A  50   1.000   1.000   0.918   0.921                              50       50 
   ALA  A  51   1.000   0.999                                              51       51 
   ALA  A  52   1.000   1.000                                              52       52 
   ARG  A  53   1.000   1.000   0.996   0.940   0.889   0.892   1.000      53       53 
   TRP  A  54   1.000   1.000   0.999   1.000                              54       54 
   ALA  A  55   1.000   1.000                                              55       55 
   GLU  A  56   1.000   1.000   0.941   0.999   1.000                      56       56 
   GLY  A  57   1.000   0.999                                              57       57 
   ALA  A  58   1.000   1.000                                              58       58 
   LEU  A  59   1.000   1.000   1.000   1.000                              59       59 
   GLU  A  60   1.000   1.000   1.000   1.000   1.000                      60       60 
   LEU  A  61   1.000   1.000   0.873   0.871                              61       61 
   ILE  A  62   0.993   0.985   0.834   0.999                              62       62 
   LYS  A  63   1.000   0.998   0.872   0.474   0.997   0.999              63       63 
   VAL  A  64   0.995   0.996   1.000                                      64       64 
   ARG  A  65   0.974   0.477   0.998   0.759   0.755   0.713   1.000                
   ARG  A  66   0.502   0.984   0.402   0.999   0.727   0.937   1.000                
   PRO  A  67   0.990   0.720   0.936   0.890                                        
   LYS  A  68   0.761   0.594   0.807   0.938   0.994   0.935                        
   TYR  A  69   0.585   0.971   0.997   0.600                                        
   VAL  A  70   0.954   0.992   0.753                                      70       70 
   HIS  A  71   0.959   0.994   0.673   0.704                              71       71 
   LYS  A  72   1.000   0.999   0.530   1.000   0.930   1.000              72       72 
   GLU  A  73   1.000   0.999   0.937   1.000   1.000                      73       73 
   GLN  A  74   1.000   0.999   0.999   0.699   0.635                      74       74 
   ILE  A  75   0.999   1.000   1.000   0.842                              75       75 
   GLU  A  76   1.000   1.000   1.000   1.000   1.000                      76       76 
   ALA  A  77   1.000   0.999                                              77       77 
   VAL  A  78   1.000   1.000   1.000                                      78       78 
   LYS  A  79   1.000   1.000   1.000   0.886   0.803   0.998              79       79 
   ASP  A  80   1.000   1.000   1.000   1.000                              80       80 
   ASN  A  81   1.000   1.000   1.000   0.996                              81       81 
   PHE  A  82   1.000   1.000   0.997   0.998                              82       82 
   LEU  A  83   1.000   1.000   1.000   1.000                              83       83 
   GLU  A  84   1.000   1.000   0.657   0.511   0.956                      84       84 
   LEU  A  85   1.000   1.000   0.994   0.814                              85       85 
   VAL  A  86   1.000   1.000   1.000                                      86       86 
   LEU  A  87   1.000   0.998   0.949   0.759                              87       87 
   GLN  A  88   0.996   0.992   0.999   0.474   0.919                      88       88 
   SER  A  89   0.999   0.996   0.392                                      89       89 
   TYR  A  90   0.994   0.995   0.996   0.580                              90       90 
   VAL  A  91   0.986   0.990   0.753                                      91       91 
   HIS  A  92   0.996   0.954   0.998   0.185                              92       92 
   HIS  A  93   0.958   0.773   0.592   0.349                                        
   ILE  A  94   0.878   0.880   0.262   0.673                                       94 
   HIS  A  95   0.847   0.201   0.865   0.194                                        
   LYS  A  96   0.453   0.905   0.647   0.998   1.000   1.000                        
   LYS  A  97   1.000   0.997   0.588   1.000   0.999   0.868              97       97 
   ARG  A  98   0.999   0.999   0.769   0.999   0.999   0.800   1.000      98       98 
   PHE  A  99   1.000   1.000   0.999   0.893                              99       99 
   LYS  A 100   1.000   0.999   0.616   1.000   1.000   1.000             100      100 
   ASP  A 101   1.000   0.999   0.943   0.964                             101      101 
   ILE  A 102   1.000   1.000   1.000   1.000                             102      102 
   THR  A 103   1.000   1.000   1.000                                     103      103 
   GLU  A 104   1.000   1.000   0.754   0.999   0.951                     104      104 
   SER  A 105   1.000   1.000   0.403                                     105      105 
   VAL  A 106   1.000   1.000   1.000                                     106      106 
   LEU  A 107   1.000   1.000   1.000   1.000                             107      107 
   TYR  A 108   1.000   1.000   0.999   1.000                             108      108 
   THR  A 109   1.000   1.000   1.000                                     109      109 
   LEU  A 110   1.000   1.000   1.000   1.000                             110      110 
   HIS  A 111   1.000   1.000   1.000   0.997                             111      111 
   ALA  A 112   1.000   1.000                                             112      112 
   VAL  A 113   1.000   1.000   1.000                                     113      113 
   LYS  A 114   1.000   0.999   1.000   0.999   0.999   0.997             114      114 
   ASP  A 115   1.000   1.000   0.667   0.777                             115      115 
   GLU  A 116   0.999   0.999   0.726   0.540   0.813                     116      116 
   ILE  A 117   0.999   1.000   1.000   1.000                             117      117 
   ALA  A 118   0.996   0.991                                             118      118 
   ARG  A 119   0.986   0.981   0.997   0.697   0.221   0.334   1.000     119      119 
   GLU  A 120   0.996   0.974   0.621   0.372   0.847                     120      120 
   ASP  A 121   0.176   0.548   0.561   0.936                                        
   SER  A 122   0.785   0.379   0.334                                                
   ARG  A 123   0.560           0.792   0.933   0.868   0.733   1.000

JPEG image of S(phi)~Residue_number Plot

JPEG image of S(psi)~Residue_number Plot

Table of Backbone and Heavy Atom RMSD

Text report of backbone and heavy atom RMSD for ordered regions

 > 
 > Kabsch RMSD data for family `SR213_R3Cons_em_bcr3.pdb' 
 > 
 > Kabsch RMSD of backbone atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model  1 is: 0.552
 > Kabsch RMSD of backbone atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model  2 is: 0.549
 > Kabsch RMSD of backbone atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model  3 is: 0.610
 > Kabsch RMSD of backbone atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model  4 is: 0.409
 > Kabsch RMSD of backbone atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model  5 is: 0.515
 > Kabsch RMSD of backbone atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model  6 is: 0.523
 > Kabsch RMSD of backbone atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model  7 is: 0.386
 > Kabsch RMSD of backbone atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model  8 is: 0.638
 > Kabsch RMSD of backbone atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model  9 is: 0.542
 > Kabsch RMSD of backbone atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model 10 is: 0.438
 > Kabsch RMSD of backbone atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model 11 is: 0.783
 > Kabsch RMSD of backbone atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model 12 is: 0.476
 > Kabsch RMSD of backbone atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model 13 is: 0.352 (*)
 > Kabsch RMSD of backbone atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model 14 is: 0.553
 > Kabsch RMSD of backbone atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model 15 is: 0.405
 > Kabsch RMSD of backbone atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model 16 is: 0.378
 > Kabsch RMSD of backbone atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model 17 is: 0.496
 > Kabsch RMSD of backbone atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model 18 is: 0.436
 > Kabsch RMSD of backbone atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model 19 is: 0.931
 > Kabsch RMSD of backbone atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model 20 is: 0.488
 >
 > Kabsch RMSD statistics for 20 structures: 
 > Mean RMSD using as refer. str. `average' for res.[7..26],[42..64],[70..92],[97..120], is: 0.523 
 > Range of RMSD values to reference struct. is 0.352 to 0.931 


 > Kabsch RMSD of heavy atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model  1 is: 0.919
 > Kabsch RMSD of heavy atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model  2 is: 0.992
 > Kabsch RMSD of heavy atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model  3 is: 0.908
 > Kabsch RMSD of heavy atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model  4 is: 0.844
 > Kabsch RMSD of heavy atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model  5 is: 0.741
 > Kabsch RMSD of heavy atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model  6 is: 0.928
 > Kabsch RMSD of heavy atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model  7 is: 0.802
 > Kabsch RMSD of heavy atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model  8 is: 0.892
 > Kabsch RMSD of heavy atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model  9 is: 0.830
 > Kabsch RMSD of heavy atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model 10 is: 0.778
 > Kabsch RMSD of heavy atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model 11 is: 1.088
 > Kabsch RMSD of heavy atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model 12 is: 1.018
 > Kabsch RMSD of heavy atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model 13 is: 0.730
 > Kabsch RMSD of heavy atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model 14 is: 0.829
 > Kabsch RMSD of heavy atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model 15 is: 0.799
 > Kabsch RMSD of heavy atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model 16 is: 0.862
 > Kabsch RMSD of heavy atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model 17 is: 0.957
 > Kabsch RMSD of heavy atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model 18 is: 0.680 (*)
 > Kabsch RMSD of heavy atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model 19 is: 1.317
 > Kabsch RMSD of heavy atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model 20 is: 0.817
 >
 > Kabsch RMSD statistics for 20 structures: 
 > Mean RMSD using as refer. str. `average' for res.[7..26],[42..64],[70..92],[97..120], is: 0.887 
 > Range of RMSD values to reference struct. is 0.680 to 1.317

Text report of backbone RMSD for entire protein

 > Kabsch RMSD of backb atoms in res. *[1..123],for model  1 is: 1.428
 > Kabsch RMSD of backb atoms in res. *[1..123],for model  2 is: 1.619
 > Kabsch RMSD of backb atoms in res. *[1..123],for model  3 is: 1.499
 > Kabsch RMSD of backb atoms in res. *[1..123],for model  4 is: 2.059
 > Kabsch RMSD of backb atoms in res. *[1..123],for model  5 is: 1.459
 > Kabsch RMSD of backb atoms in res. *[1..123],for model  6 is: 1.460
 > Kabsch RMSD of backb atoms in res. *[1..123],for model  7 is: 1.347
 > Kabsch RMSD of backb atoms in res. *[1..123],for model  8 is: 1.860
 > Kabsch RMSD of backb atoms in res. *[1..123],for model  9 is: 1.569
 > Kabsch RMSD of backb atoms in res. *[1..123],for model 10 is: 2.553
 > Kabsch RMSD of backb atoms in res. *[1..123],for model 11 is: 1.870
 > Kabsch RMSD of backb atoms in res. *[1..123],for model 12 is: 1.274 (*)
 > Kabsch RMSD of backb atoms in res. *[1..123],for model 13 is: 1.413
 > Kabsch RMSD of backb atoms in res. *[1..123],for model 14 is: 1.355
 > Kabsch RMSD of backb atoms in res. *[1..123],for model 15 is: 1.310
 > Kabsch RMSD of backb atoms in res. *[1..123],for model 16 is: 1.765
 > Kabsch RMSD of backb atoms in res. *[1..123],for model 17 is: 1.480
 > Kabsch RMSD of backb atoms in res. *[1..123],for model 18 is: 2.043
 > Kabsch RMSD of backb atoms in res. *[1..123],for model 19 is: 2.423
 > Kabsch RMSD of backb atoms in res. *[1..123],for model 20 is: 1.774
 >
 > Kabsch RMSD statistics for 20 structures: 
 > Mean RMSD using as refer. str. `average' for res.[1..123], is: 1.678 
 > Range of RMSD values to reference struct. is 1.274 to 2.553

Text report of heavy atom RMSD for entire protein

 > Kabsch RMSD of heavy atoms in res. *[1..123],for model  1 is: 2.165
 > Kabsch RMSD of heavy atoms in res. *[1..123],for model  2 is: 2.207
 > Kabsch RMSD of heavy atoms in res. *[1..123],for model  3 is: 2.093
 > Kabsch RMSD of heavy atoms in res. *[1..123],for model  4 is: 2.582
 > Kabsch RMSD of heavy atoms in res. *[1..123],for model  5 is: 1.955
 > Kabsch RMSD of heavy atoms in res. *[1..123],for model  6 is: 1.918
 > Kabsch RMSD of heavy atoms in res. *[1..123],for model  7 is: 1.961
 > Kabsch RMSD of heavy atoms in res. *[1..123],for model  8 is: 2.270
 > Kabsch RMSD of heavy atoms in res. *[1..123],for model  9 is: 2.127
 > Kabsch RMSD of heavy atoms in res. *[1..123],for model 10 is: 2.780
 > Kabsch RMSD of heavy atoms in res. *[1..123],for model 11 is: 2.247
 > Kabsch RMSD of heavy atoms in res. *[1..123],for model 12 is: 1.923
 > Kabsch RMSD of heavy atoms in res. *[1..123],for model 13 is: 1.876
 > Kabsch RMSD of heavy atoms in res. *[1..123],for model 14 is: 1.921
 > Kabsch RMSD of heavy atoms in res. *[1..123],for model 15 is: 1.716 (*)
 > Kabsch RMSD of heavy atoms in res. *[1..123],for model 16 is: 2.187
 > Kabsch RMSD of heavy atoms in res. *[1..123],for model 17 is: 1.968
 > Kabsch RMSD of heavy atoms in res. *[1..123],for model 18 is: 2.390
 > Kabsch RMSD of heavy atoms in res. *[1..123],for model 19 is: 2.872
 > Kabsch RMSD of heavy atoms in res. *[1..123],for model 20 is: 2.257
 >
 > Kabsch RMSD statistics for 20 structures: 
 > Mean RMSD using as refer. str. `average' for res.[1..123], is: 2.171 
 > Range of RMSD values to reference struct. is 1.716 to 2.872

Summary of heavy atom and backbone RMSDs over the whole protein and ordered residues

RMSD Values
	all residues	ordered residues	selected residues
All backbone atoms	1.7	0.5	0.5
All heavy atoms	2.2	0.9	0.9

Contact Map (constraints list and 3D Coordinates)

JPEG image of Contact Map for Constraints

SR213_R3Cons_em_bcr3.upl.jpg

JPEG image of Contact Map for Coordinates

SR213_R3Cons_em_bcr3.pdb.jpg

Output from PROCHECK

Ramachandran Plot for all models

Text summary of Ramachandran Plot


 +----------<<<  P  R  O  C  H  E  C  K     S  U  M  M  A  R  Y  >>>----------+
 |                                                                            |
 | SR213_R3Cons_em_bcr3_020.rin   0.0                           1820 residues |
 |                                                                            |
 | Ramachandran plot:   98.9% core    1.1% allow    0.0% gener    0.0% disall |
 |                                                                            |
+| All Ramachandrans:    5 labelled residues (out of1820)                     |
 | Chi1-chi2 plots:      0 labelled residues (out of1280)                     |

JPEG image for all model Ramachandran Plot

Residue Properties for all models

JPEG for all model Residue Properties - page $num_n

Model Secondary Structures from Procheck

JPEG for Model Secondary Structures - page $num_n

Ramachandran Plots for each residue

JPEG for residue Ramachandran Plots - page $num_n

Ramachandran analysis for each residue from Molprobity

Chi1-Chi2 Plots for each residue

JPEG for residue Chi1-Chi2 Plots - page $num_n

Procheck G-factors for phi-psi for each residue

JPEG image for residue phi-psi G-factors

Table of Procheck G-factors for phi-psi for ordered residues

#phipsi_gfactor
#Residue\Model	average
7	0.98
8	1.02
9	1.05
10	1.20
11	1.04
12	1.10
13	1.10
14	1.01
15	1.08
16	1.04
17	0.98
18	0.93
19	1.08
20	1.21
21	0.97
22	1.32
23	1.09
24	1.21
25	1.20
26	0.74
42	-0.40
43	0.62
44	1.02
45	1.05
46	0.89
47	1.12
48	1.12
49	1.00
50	0.99
51	0.85
52	0.80
53	1.11
54	1.09
55	0.97
56	1.06
57	0.64
58	0.99
59	1.13
60	1.05
61	1.11
62	-0.99
63	0.79
64	-0.75
70	-0.69
71	-0.41
72	0.94
73	1.02
74	1.19
75	0.98
76	1.04
77	0.85
78	1.05
79	0.95
80	0.92
81	1.18
82	1.16
83	1.12
84	1.06
85	1.05
86	0.99
87	0.80
88	0.31
89	1.01
90	-1.17
91	-1.31
92	-1.00
93	-0.66
97	1.14
98	1.00
99	1.22
100	1.15
101	1.19
102	1.01
103	1.24
104	1.01
105	1.19
106	0.90
107	1.13
108	1.18
109	1.03
110	0.90
111	1.43
112	0.99
113	0.93
114	1.04
115	1.30
116	0.96
117	0.96
118	-0.14
119	0.31
120	-0.05
#Reported_Model_Average	0.813
#Overall_Average_Reported	0.813

Procheck G-factors for all dihedral angles for each residue

JPEG image for residue all dihedral G-factors

Table of Procheck G-factors for all dihedrals for ordered residues

#alldih_gfactor
#Residue\Model	average
7	0.68
8	1.07
9	0.90
10	0.84
11	0.95
12	0.64
13	0.90
14	0.95
15	0.93
16	0.87
17	0.98
18	0.99
19	1.04
20	1.21
21	0.97
22	1.23
23	0.69
24	0.79
25	0.74
26	0.90
42	-0.40
43	0.62
44	0.89
45	1.09
46	1.03
47	1.07
48	0.38
49	1.12
50	0.34
51	0.85
52	0.80
53	0.95
54	0.87
55	0.97
56	1.03
57	0.64
58	0.99
59	0.91
60	0.94
61	0.83
62	-0.46
63	0.17
64	0.01
70	-0.68
71	0.15
72	0.88
73	1.10
74	1.02
75	0.87
76	1.13
77	0.85
78	0.71
79	0.71
80	1.03
81	1.15
82	0.88
83	1.01
84	0.71
85	0.63
86	0.86
87	0.43
88	0.46
89	0.76
90	-0.37
91	-0.88
92	-0.07
93	-0.09
97	1.10
98	1.03
99	0.78
100	1.11
101	1.12
102	0.96
103	0.99
104	0.99
105	0.66
106	0.79
107	0.88
108	0.95
109	0.81
110	0.89
111	0.63
112	0.99
113	0.83
114	0.93
115	0.91
116	0.81
117	0.93
118	-0.14
119	0.40
120	0.18
#Reported_Model_Average	0.733
#Overall_Average_Reported	0.733

Output from Verify3D

Verify3D Score over a window of $winsize_s residues

JPEG image for Verify3D Score

Table of Verify3D scores for ordered residues across all models

#verify3d
#Residue\Model	1	2	3	4	5	6	7	8	9	10	11	12	13	14	15	16	17	18	19	20
7	0.71	0.71	-0.46	0.71	0.71	0.71	0.71	-0.30	0.16	-0.30	0.71	1.30	0.71	1.30	0.71	0.71	0.71	-0.30	-0.46	0.71
8	0.62	0.60	0.62	0.62	0.62	0.62	0.60	0.60	0.62	0.62	0.62	0.62	0.62	0.62	0.60	0.62	0.62	0.62	0.60	0.62
9	1.02	0.87	1.02	1.02	1.02	-0.42	0.87	1.02	0.87	0.87	1.02	1.02	1.02	1.02	0.87	-0.42	1.02	1.02	0.87	1.02
10	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39
11	0.62	-0.43	-0.43	-0.43	0.62	-0.43	-0.43	0.62	-0.43	-0.43	-0.43	-0.43	-0.43	-0.58	-0.43	-0.43	-0.43	-0.58	-0.43	0.62
12	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62
13	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26
14	-0.02	-0.02	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	-0.02	-0.02	0.55	0.55
15	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.60	0.62	0.62	0.62	0.62
16	0.30	0.30	-0.62	0.30	0.30	0.30	-0.62	0.30	-0.62	0.30	-0.62	0.30	-0.62	-0.62	0.30	-0.62	0.41	0.30	-0.62	0.30
17	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76
18	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	-0.43	0.62	0.62	-0.43	0.62	0.62	0.62	0.62	0.62	0.62	0.62
19	0.07	0.07	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.07	0.66	0.66	0.66	0.66	0.66
20	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63
21	0.76	0.76	0.76	-0.02	0.76	0.76	-0.02	0.76	0.76	0.76	0.44	0.76	-0.02	0.44	0.76	0.76	0.76	0.76	0.76	0.76
22	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.29	0.29	0.29	0.44	0.44	0.44	0.44	0.29	0.44
23	1.10	1.10	1.10	1.10	1.10	0.56	1.10	1.10	0.56	0.56	0.56	1.10	0.56	1.10	1.10	0.56	1.10	1.10	1.10	0.56
24	0.86	0.50	0.86	0.50	0.86	0.86	0.86	0.50	0.50	0.86	0.50	0.50	0.86	0.86	0.86	0.50	0.50	0.86	0.50	0.86
25	0.29	0.29	0.29	0.29	0.29	0.62	0.62	0.29	0.62	0.29	0.62	0.29	0.62	0.29	0.29	0.62	0.29	0.29	0.62	0.29
26	0.62	0.62	0.62	0.62	0.62	0.62	0.60	0.62	0.62	0.62	0.60	0.62	0.62	0.62	0.60	0.62	0.62	0.62	0.62	0.60
42	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25
43	0.44	-0.02	0.44	0.76	-0.02	-0.02	-0.02	0.44	-0.02	-0.02	-0.02	-0.02	-0.02	0.44	-0.02	-0.02	0.44	0.44	-0.02	-0.02
44	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30
45	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62
46	0.60	0.60	0.60	0.60	0.60	0.60	0.60	0.60	0.60	0.62	0.62	0.62	0.60	0.60	0.62	0.60	0.60	0.60	0.60	0.62
47	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58	-1.76	-0.58	-0.58	-0.58	-0.58	-1.76	-0.58	-1.76	-0.58	-0.58	-0.58	-0.58
48	0.29	0.29	-0.28	-0.28	0.29	-0.28	-0.28	0.29	-0.28	-0.28	-0.28	-0.28	-0.28	-0.28	0.29	-0.28	0.29	0.29	-0.28	0.29
49	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.60	0.62	0.62	0.62
50	0.71	0.16	-0.30	0.71	0.71	0.71	-0.30	-0.30	-0.30	-0.30	-0.30	-0.46	0.16	0.16	0.16	0.16	0.71	0.71	-0.30	-0.30
51	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76
52	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	0.44	-0.02	-0.02	0.44	-0.02	0.44	-0.02	-0.02	-0.02	0.44	-0.02
53	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56	-0.20	0.56
54	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11
55	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76
56	0.62	0.62	0.62	0.62	0.62	0.60	0.62	0.62	0.62	0.62	0.62	0.60	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.60
57	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63
58	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76
59	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	0.16	-0.30	0.71	0.71	-0.30	-0.30	-0.30	-0.30	-0.30	0.71	-0.30	-0.30
60	0.62	0.60	0.62	-0.43	0.60	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.60	0.62	0.62	0.60	0.62	0.60
61	1.30	0.71	0.71	0.71	1.30	0.71	0.71	-0.30	-0.30	-0.30	-0.30	-0.30	0.71	0.71	0.71	0.71	0.71	-0.30	0.71	0.71
62	1.11	1.11	0.55	0.55	0.55	0.55	0.55	1.11	0.55	0.55	0.55	1.11	0.55	0.55	0.55	0.55	1.11	0.55	1.11	1.11
63	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.66	0.07	0.07	0.66
64	-0.62	-0.62	-0.62	-0.62	-0.62	-1.25	-0.62	-1.25	-0.62	-0.62	-0.62	-1.25	-1.25	-0.62	-0.62	-0.62	-0.62	-0.62	-0.62	-0.62
70	1.00	1.00	0.66	1.00	1.00	1.00	1.00	0.66	0.66	0.66	1.00	0.66	1.00	1.00	1.00	1.00	0.66	0.66	1.00	1.00
71	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20
72	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.07	0.66	0.66	0.66	0.66	0.66	-0.50	0.66	0.66	0.66
73	0.62	0.62	0.62	0.60	0.62	0.60	0.60	0.60	0.60	0.60	0.60	0.60	0.60	0.60	0.60	0.62	0.60	0.62	0.60	0.60
74	0.62	0.62	-0.32	-0.32	0.62	-0.32	0.16	-0.32	0.62	-0.32	0.62	-0.32	0.62	0.62	0.62	0.62	0.62	-0.32	0.62	-0.32
75	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11
76	0.62	0.62	0.62	0.62	0.62	0.62	0.62	-0.43	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	-0.43	0.62
77	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44
78	0.41	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.41	0.74	0.41	0.74	0.74	0.74	0.74	0.74
79	0.66	0.66	0.66	0.56	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.56	0.56	0.66	0.56	0.66	0.66	0.66	0.66
80	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.29	0.44	0.44	0.44	0.44	0.44
81	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58	-0.02	-0.02	-0.02	-0.58	-0.58	-0.58	-0.02	-0.58	-0.58	-0.02	-0.02	-0.58
82	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28
83	-0.30	-0.46	0.16	0.16	-0.30	0.16	0.16	-0.30	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	-0.30	0.71	-0.30
84	0.62	0.62	0.62	0.62	0.62	0.09	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62
85	1.30	0.71	0.71	1.30	1.30	0.71	0.71	1.30	1.30	1.30	1.30	1.30	1.30	1.30	0.71	1.30	1.30	1.30	1.30	1.30
86	0.74	0.41	0.41	0.74	0.74	-0.29	0.41	0.41	0.41	0.41	0.74	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.30
87	-0.46	-0.30	0.71	-0.30	-0.46	1.30	-0.30	-0.30	-0.30	0.71	-0.30	-0.30	-0.46	-0.30	-0.30	-0.30	-0.30	-0.30	1.30	-0.30
88	-1.38	-1.38	-1.38	-1.38	0.16	-1.38	-1.38	0.16	-0.32	-1.38	-0.32	0.16	-1.38	-1.38	-1.38	-1.38	0.16	0.16	-1.38	0.16
89	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47
90	0.50	0.86	0.50	0.86	0.86	0.86	0.50	0.86	0.50	0.50	0.50	0.50	0.86	0.50	0.50	0.50	0.86	0.50	0.86	0.86
91	-0.29	0.30	0.30	0.30	0.30	0.41	0.74	0.74	0.41	0.41	0.74	0.30	0.41	0.30	0.30	0.41	0.30	0.30	0.41	0.30
92	1.04	1.04	1.04	0.20	1.04	1.04	1.04	0.20	1.04	1.04	1.04	1.04	1.04	1.04	1.04	1.04	1.04	1.04	1.04	1.04
93	0.20	0.20	0.20	-0.41	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	-0.41	0.20	-0.41	0.20	0.20	0.20	-0.41
97	0.07	0.07	0.07	0.07	0.07	0.66	0.66	0.07	0.07	0.66	0.07	0.07	0.07	0.07	0.07	0.66	0.07	0.07	0.07	0.07
98	-0.20	-0.20	0.56	0.56	-0.20	0.56	-0.20	-0.20	0.56	-0.20	0.56	0.56	-0.20	0.56	0.56	0.56	-0.20	0.56	-0.20	0.56
99	1.28	1.28	0.87	0.87	1.28	0.87	0.87	0.87	0.87	1.28	0.87	0.87	0.87	0.87	0.87	1.28	0.87	1.28	1.28	1.28
100	0.66	0.66	0.07	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.07	0.66	0.66	0.66
101	0.29	0.44	0.29	0.29	0.44	0.44	0.44	0.29	0.44	0.29	0.29	0.44	0.44	0.29	0.29	0.29	0.29	0.29	0.29	0.29
102	0.55	-0.02	-0.02	0.55	0.55	0.55	-0.02	-0.02	0.55	0.55	-0.02	-0.02	0.55	-0.02	0.55	-0.02	-0.06	0.55	0.55	-0.02
103	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39
104	0.62	0.60	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.60	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62
105	-0.38	0.16	0.16	-0.38	-0.38	-0.38	-0.38	-0.38	0.16	0.16	0.16	-0.38	-0.38	-0.38	-0.38	0.16	0.16	0.16	-0.38	-0.38
106	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74
107	0.71	0.71	0.71	-0.30	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.16	0.71	0.71	0.71	0.71	0.71
108	-0.55	-0.55	-0.55	-0.55	-0.55	-0.55	-0.55	-1.70	-1.70	-1.70	-0.55	-0.55	-0.55	-0.55	-0.55	-0.55	-0.55	-0.55	-1.70	-0.55
109	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39
110	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30
111	0.17	0.17	-0.91	0.17	0.17	-0.91	0.17	0.17	-0.91	-0.91	-0.91	-0.91	0.17	0.17	0.17	-0.91	0.17	-0.91	-0.91	0.17
112	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76
113	0.74	0.74	0.74	0.41	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74
114	0.66	-0.50	-0.50	-0.50	0.66	-0.50	0.66	-0.50	-0.50	0.66	-0.50	0.66	0.66	-0.50	-0.50	-0.50	0.66	0.66	-0.50	0.66
115	0.29	-0.28	0.29	0.29	0.29	-0.28	0.29	0.29	0.29	-0.28	0.29	0.29	0.29	0.29	0.29	0.29	-0.28	-0.28	0.29	-0.28
116	-0.58	-0.58	-2.15	-2.15	-0.58	-0.58	-0.58	-0.58	-2.15	-2.15	-0.58	-0.58	-2.15	-2.15	-2.15	-2.15	-0.58	-2.15	-0.58	-0.58
117	1.11	1.11	0.55	1.11	1.11	1.11	0.55	1.11	0.55	0.55	0.55	1.11	1.11	0.55	1.11	0.55	1.11	0.55	0.55	1.11
118	0.44	-0.02	0.76	0.44	0.44	0.76	0.76	0.44	0.44	0.44	0.76	0.44	0.44	0.44	0.76	0.44	0.44	0.44	0.76	0.44
119	0.56	1.10	1.10	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56	1.10	1.10
120	0.09	0.09	-0.58	0.62	0.09	0.62	0.62	0.62	0.62	0.62	0.62	0.09	0.09	0.09	0.62	0.62	0.09	0.62	0.09	0.09
#Reported_Model_Average	0.466	0.418	0.369	0.386	0.500	0.414	0.422	0.397	0.374	0.378	0.427	0.434	0.393	0.386	0.425	0.371	0.458	0.431	0.411	0.469
#Overall_Average_Reported	0.416

Output from ProsaII

ProsaII Score over a window of $winsize_s residues

JPEG image for ProsaII Score

Table of Verify3D scores for ordered residues across all models

#verify3d
#Residue\Model	1	2	3	4	5	6	7	8	9	10	11	12	13	14	15	16	17	18	19	20
7	0.71	0.71	-0.46	0.71	0.71	0.71	0.71	-0.30	0.16	-0.30	0.71	1.30	0.71	1.30	0.71	0.71	0.71	-0.30	-0.46	0.71
8	0.62	0.60	0.62	0.62	0.62	0.62	0.60	0.60	0.62	0.62	0.62	0.62	0.62	0.62	0.60	0.62	0.62	0.62	0.60	0.62
9	1.02	0.87	1.02	1.02	1.02	-0.42	0.87	1.02	0.87	0.87	1.02	1.02	1.02	1.02	0.87	-0.42	1.02	1.02	0.87	1.02
10	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39
11	0.62	-0.43	-0.43	-0.43	0.62	-0.43	-0.43	0.62	-0.43	-0.43	-0.43	-0.43	-0.43	-0.58	-0.43	-0.43	-0.43	-0.58	-0.43	0.62
12	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62
13	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26
14	-0.02	-0.02	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	-0.02	-0.02	0.55	0.55
15	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.60	0.62	0.62	0.62	0.62
16	0.30	0.30	-0.62	0.30	0.30	0.30	-0.62	0.30	-0.62	0.30	-0.62	0.30	-0.62	-0.62	0.30	-0.62	0.41	0.30	-0.62	0.30
17	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76
18	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	-0.43	0.62	0.62	-0.43	0.62	0.62	0.62	0.62	0.62	0.62	0.62
19	0.07	0.07	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.07	0.66	0.66	0.66	0.66	0.66
20	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63
21	0.76	0.76	0.76	-0.02	0.76	0.76	-0.02	0.76	0.76	0.76	0.44	0.76	-0.02	0.44	0.76	0.76	0.76	0.76	0.76	0.76
22	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.29	0.29	0.29	0.44	0.44	0.44	0.44	0.29	0.44
23	1.10	1.10	1.10	1.10	1.10	0.56	1.10	1.10	0.56	0.56	0.56	1.10	0.56	1.10	1.10	0.56	1.10	1.10	1.10	0.56
24	0.86	0.50	0.86	0.50	0.86	0.86	0.86	0.50	0.50	0.86	0.50	0.50	0.86	0.86	0.86	0.50	0.50	0.86	0.50	0.86
25	0.29	0.29	0.29	0.29	0.29	0.62	0.62	0.29	0.62	0.29	0.62	0.29	0.62	0.29	0.29	0.62	0.29	0.29	0.62	0.29
26	0.62	0.62	0.62	0.62	0.62	0.62	0.60	0.62	0.62	0.62	0.60	0.62	0.62	0.62	0.60	0.62	0.62	0.62	0.62	0.60
42	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25
43	0.44	-0.02	0.44	0.76	-0.02	-0.02	-0.02	0.44	-0.02	-0.02	-0.02	-0.02	-0.02	0.44	-0.02	-0.02	0.44	0.44	-0.02	-0.02
44	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30
45	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62
46	0.60	0.60	0.60	0.60	0.60	0.60	0.60	0.60	0.60	0.62	0.62	0.62	0.60	0.60	0.62	0.60	0.60	0.60	0.60	0.62
47	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58	-1.76	-0.58	-0.58	-0.58	-0.58	-1.76	-0.58	-1.76	-0.58	-0.58	-0.58	-0.58
48	0.29	0.29	-0.28	-0.28	0.29	-0.28	-0.28	0.29	-0.28	-0.28	-0.28	-0.28	-0.28	-0.28	0.29	-0.28	0.29	0.29	-0.28	0.29
49	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.60	0.62	0.62	0.62
50	0.71	0.16	-0.30	0.71	0.71	0.71	-0.30	-0.30	-0.30	-0.30	-0.30	-0.46	0.16	0.16	0.16	0.16	0.71	0.71	-0.30	-0.30
51	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76
52	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	0.44	-0.02	-0.02	0.44	-0.02	0.44	-0.02	-0.02	-0.02	0.44	-0.02
53	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56	-0.20	0.56
54	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11
55	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76
56	0.62	0.62	0.62	0.62	0.62	0.60	0.62	0.62	0.62	0.62	0.62	0.60	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.60
57	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63
58	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76
59	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	0.16	-0.30	0.71	0.71	-0.30	-0.30	-0.30	-0.30	-0.30	0.71	-0.30	-0.30
60	0.62	0.60	0.62	-0.43	0.60	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.60	0.62	0.62	0.60	0.62	0.60
61	1.30	0.71	0.71	0.71	1.30	0.71	0.71	-0.30	-0.30	-0.30	-0.30	-0.30	0.71	0.71	0.71	0.71	0.71	-0.30	0.71	0.71
62	1.11	1.11	0.55	0.55	0.55	0.55	0.55	1.11	0.55	0.55	0.55	1.11	0.55	0.55	0.55	0.55	1.11	0.55	1.11	1.11
63	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.66	0.07	0.07	0.66
64	-0.62	-0.62	-0.62	-0.62	-0.62	-1.25	-0.62	-1.25	-0.62	-0.62	-0.62	-1.25	-1.25	-0.62	-0.62	-0.62	-0.62	-0.62	-0.62	-0.62
70	1.00	1.00	0.66	1.00	1.00	1.00	1.00	0.66	0.66	0.66	1.00	0.66	1.00	1.00	1.00	1.00	0.66	0.66	1.00	1.00
71	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20
72	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.07	0.66	0.66	0.66	0.66	0.66	-0.50	0.66	0.66	0.66
73	0.62	0.62	0.62	0.60	0.62	0.60	0.60	0.60	0.60	0.60	0.60	0.60	0.60	0.60	0.60	0.62	0.60	0.62	0.60	0.60
74	0.62	0.62	-0.32	-0.32	0.62	-0.32	0.16	-0.32	0.62	-0.32	0.62	-0.32	0.62	0.62	0.62	0.62	0.62	-0.32	0.62	-0.32
75	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11
76	0.62	0.62	0.62	0.62	0.62	0.62	0.62	-0.43	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	-0.43	0.62
77	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44
78	0.41	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.41	0.74	0.41	0.74	0.74	0.74	0.74	0.74
79	0.66	0.66	0.66	0.56	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.56	0.56	0.66	0.56	0.66	0.66	0.66	0.66
80	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.29	0.44	0.44	0.44	0.44	0.44
81	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58	-0.02	-0.02	-0.02	-0.58	-0.58	-0.58	-0.02	-0.58	-0.58	-0.02	-0.02	-0.58
82	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28
83	-0.30	-0.46	0.16	0.16	-0.30	0.16	0.16	-0.30	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	-0.30	0.71	-0.30
84	0.62	0.62	0.62	0.62	0.62	0.09	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62
85	1.30	0.71	0.71	1.30	1.30	0.71	0.71	1.30	1.30	1.30	1.30	1.30	1.30	1.30	0.71	1.30	1.30	1.30	1.30	1.30
86	0.74	0.41	0.41	0.74	0.74	-0.29	0.41	0.41	0.41	0.41	0.74	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.30
87	-0.46	-0.30	0.71	-0.30	-0.46	1.30	-0.30	-0.30	-0.30	0.71	-0.30	-0.30	-0.46	-0.30	-0.30	-0.30	-0.30	-0.30	1.30	-0.30
88	-1.38	-1.38	-1.38	-1.38	0.16	-1.38	-1.38	0.16	-0.32	-1.38	-0.32	0.16	-1.38	-1.38	-1.38	-1.38	0.16	0.16	-1.38	0.16
89	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47
90	0.50	0.86	0.50	0.86	0.86	0.86	0.50	0.86	0.50	0.50	0.50	0.50	0.86	0.50	0.50	0.50	0.86	0.50	0.86	0.86
91	-0.29	0.30	0.30	0.30	0.30	0.41	0.74	0.74	0.41	0.41	0.74	0.30	0.41	0.30	0.30	0.41	0.30	0.30	0.41	0.30
92	1.04	1.04	1.04	0.20	1.04	1.04	1.04	0.20	1.04	1.04	1.04	1.04	1.04	1.04	1.04	1.04	1.04	1.04	1.04	1.04
93	0.20	0.20	0.20	-0.41	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	-0.41	0.20	-0.41	0.20	0.20	0.20	-0.41
97	0.07	0.07	0.07	0.07	0.07	0.66	0.66	0.07	0.07	0.66	0.07	0.07	0.07	0.07	0.07	0.66	0.07	0.07	0.07	0.07
98	-0.20	-0.20	0.56	0.56	-0.20	0.56	-0.20	-0.20	0.56	-0.20	0.56	0.56	-0.20	0.56	0.56	0.56	-0.20	0.56	-0.20	0.56
99	1.28	1.28	0.87	0.87	1.28	0.87	0.87	0.87	0.87	1.28	0.87	0.87	0.87	0.87	0.87	1.28	0.87	1.28	1.28	1.28
100	0.66	0.66	0.07	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.07	0.66	0.66	0.66
101	0.29	0.44	0.29	0.29	0.44	0.44	0.44	0.29	0.44	0.29	0.29	0.44	0.44	0.29	0.29	0.29	0.29	0.29	0.29	0.29
102	0.55	-0.02	-0.02	0.55	0.55	0.55	-0.02	-0.02	0.55	0.55	-0.02	-0.02	0.55	-0.02	0.55	-0.02	-0.06	0.55	0.55	-0.02
103	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39
104	0.62	0.60	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.60	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62
105	-0.38	0.16	0.16	-0.38	-0.38	-0.38	-0.38	-0.38	0.16	0.16	0.16	-0.38	-0.38	-0.38	-0.38	0.16	0.16	0.16	-0.38	-0.38
106	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74
107	0.71	0.71	0.71	-0.30	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.16	0.71	0.71	0.71	0.71	0.71
108	-0.55	-0.55	-0.55	-0.55	-0.55	-0.55	-0.55	-1.70	-1.70	-1.70	-0.55	-0.55	-0.55	-0.55	-0.55	-0.55	-0.55	-0.55	-1.70	-0.55
109	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39
110	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30
111	0.17	0.17	-0.91	0.17	0.17	-0.91	0.17	0.17	-0.91	-0.91	-0.91	-0.91	0.17	0.17	0.17	-0.91	0.17	-0.91	-0.91	0.17
112	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76
113	0.74	0.74	0.74	0.41	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74
114	0.66	-0.50	-0.50	-0.50	0.66	-0.50	0.66	-0.50	-0.50	0.66	-0.50	0.66	0.66	-0.50	-0.50	-0.50	0.66	0.66	-0.50	0.66
115	0.29	-0.28	0.29	0.29	0.29	-0.28	0.29	0.29	0.29	-0.28	0.29	0.29	0.29	0.29	0.29	0.29	-0.28	-0.28	0.29	-0.28
116	-0.58	-0.58	-2.15	-2.15	-0.58	-0.58	-0.58	-0.58	-2.15	-2.15	-0.58	-0.58	-2.15	-2.15	-2.15	-2.15	-0.58	-2.15	-0.58	-0.58
117	1.11	1.11	0.55	1.11	1.11	1.11	0.55	1.11	0.55	0.55	0.55	1.11	1.11	0.55	1.11	0.55	1.11	0.55	0.55	1.11
118	0.44	-0.02	0.76	0.44	0.44	0.76	0.76	0.44	0.44	0.44	0.76	0.44	0.44	0.44	0.76	0.44	0.44	0.44	0.76	0.44
119	0.56	1.10	1.10	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56	1.10	1.10
120	0.09	0.09	-0.58	0.62	0.09	0.62	0.62	0.62	0.62	0.62	0.62	0.09	0.09	0.09	0.62	0.62	0.09	0.62	0.09	0.09
#Reported_Model_Average	0.466	0.418	0.369	0.386	0.500	0.414	0.422	0.397	0.374	0.378	0.427	0.434	0.393	0.386	0.425	0.371	0.458	0.431	0.411	0.469
#Overall_Average_Reported	0.416

Output from MolProbity

VdW violations from MAGE

JPEG image for MAGE VdW violation

Table of MAGE VdW violations for ordered residues across all models

#mage_clash
#Residue\Model	1	2	3	4	5	6	7	8	9	10	11	12	13	14	15	16	17	18	19	20
7.000	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	1	0
8.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
9.000	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0
10.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0
11.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
12.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0
13.000	0	0	0	0	0	0	0	0	1	1	0	0	1	0	1	0	0	0	0	0
14.000	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	1
15.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
16.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
17.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
18.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
19.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
20.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
21.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
22.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
23.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
24.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
25.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
26.000	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
42.000	2	2	2	3	2	2	2	2	2	1	4	0	1	1	3	3	1	1	3	1
43.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
44.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0
45.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
46.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
47.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
48.000	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0
49.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
50.000	0	0	0	0	0	0	0	2	0	0	0	2	0	0	5	0	0	0	0	2
51.000	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0
52.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
53.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
54.000	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	1	0	1	1	1
55.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
56.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
57.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
58.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
59.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0
60.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
61.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
62.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	2	0
63.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
64.000	1	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
70.000	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	1	1	0	0	1
71.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0
72.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
73.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
74.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
75.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
76.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
77.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
78.000	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	1
79.000	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0
80.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
81.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
82.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
83.000	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0
84.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1
85.000	4	0	2	0	0	0	0	0	0	0	0	4	0	0	0	0	0	0	0	0
86.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
87.000	0	0	1	0	0	2	0	0	4	0	7	0	0	6	0	0	4	0	0	0
88.000	0	1	1	1	0	0	0	1	0	0	0	0	1	1	0	1	0	0	0	2
89.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
90.000	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0
91.000	0	1	3	1	0	0	0	0	0	0	2	0	1	0	0	1	0	0	0	1
92.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
93.000	0	0	1	2	0	0	0	1	0	0	0	0	0	1	0	1	0	0	0	0
97.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
98.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
99.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0
100.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
101.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
102.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
103.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
104.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
105.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
106.000	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0
107.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
108.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
109.000	0	0	0	0	0	1	0	0	0	0	0	1	0	1	0	0	0	0	0	2
110.000	0	0	0	0	0	0	0	0	2	1	0	0	2	1	2	0	0	0	0	2
111.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
112.000	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0
113.000	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0
114.000	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0
115.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
116.000	0	0	1	0	0	0	0	0	0	0	1	0	0	0	1	0	1	1	0	0
117.000	0	0	1	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	1	0
118.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0
119.000	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
120.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	1	0
#Reported_Model_Average	0.121	0.055	0.154	0.088	0.033	0.066	0.022	0.077	0.110	0.066	0.198	0.088	0.077	0.154	0.198	0.176	0.110	0.077	0.143	0.165
#Overall_Average_Reported	0.109

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2020:A 123 ARG  O   :A 123 ARG 2HG  :   -0.636:        0

:  2020:A  85 LEU  O   :A  85 LEU 3HD2 :   -0.576:        0
:  2020:A  85 LEU 3HD2 :A  85 LEU  C   :   -0.472:        0

:  2020:A  36 PHE  O   :A  37 PHE 1HB  :   -0.493:        0

:  2020:A  65 ARG 1HG  :A  64 VAL 2HG1 :   -0.479:        0

:  2020:A  41 LYS 1HB  :A  40 ILE  O   :   -0.464:        0
:  2020:A  42 PRO  CD  :A  41 LYS 2HB  :   -0.460:        0
:  2020:A  41 LYS  N   :A  42 PRO 1HD  :   -0.443:        0

:  2020:A  83 LEU 1HD2 :A  48 ASP  HA  :   -0.423:        0

:  2020:A  79 LYS 2HG  :A  51 ALA 1HB  :   -0.420:        0
#sum2 ::4.95 clashscore : 4.95 clashscore B<40 
#summary::2020 atoms:2020 atoms B<40:226624 potential dots:14160.0 A^2:10 bumps:10 bumps B<40:810.3 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2020:A  42 PRO  CD  :A  41 LYS 2HB  :   -0.506:        0
:  2020:A  42 PRO  CD  :A  41 LYS  CB  :   -0.498:        0

:  2020:A  88 GLN  HA  :A  91 VAL 2HG2 :   -0.438:        0

:  2020:A  65 ARG 1HG  :A  64 VAL 2HG1 :   -0.431:        0
#sum2 ::1.98 clashscore : 1.98 clashscore B<40 
#summary::2020 atoms:2020 atoms B<40:226461 potential dots:14150.0 A^2:4 bumps:4 bumps B<40:835.1 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2020:A  40 ILE  O   :A  40 ILE 2HG2 :   -0.733:        0
:  2020:A  40 ILE  O   :A  40 ILE  CG2 :   -0.505:        0

:  2020:A  41 LYS 2HB  :A  42 PRO 2HD  :   -0.561:        0
:  2020:A  42 PRO  CD  :A  41 LYS  H   :   -0.414:        0

:  2020:A 116 GLU  HA  :A 119 ARG 2HB  :   -0.506:        0

:  2020:A   2 LEU  H   :A   2 LEU 3HD2 :   -0.495:        0
:  2020:A   2 LEU  N   :A   2 LEU 3HD2 :   -0.477:        0

:  2020:A  65 ARG 1HG  :A  64 VAL 2HG1 :   -0.453:        0

:  2020:A  88 GLN  HA  :A  91 VAL 2HG1 :   -0.450:        0

:  2020:A  85 LEU  O   :A  85 LEU 3HD2 :   -0.450:        0

:  2020:A  91 VAL 3HG1 :A  93 HIS  H   :   -0.433:        0
:  2020:A  91 VAL 2HG1 :A  87 LEU  O   :   -0.413:        0

:  2020:A   1 MET  SD  :A 117 ILE  O   :   -0.400:        0
#sum2 ::6.44 clashscore : 6.44 clashscore B<40 
#summary::2020 atoms:2020 atoms B<40:226498 potential dots:14160.0 A^2:13 bumps:13 bumps B<40:815.8 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2020:A  34 TYR  C   :A  34 TYR  HD1 :   -0.559:        0
:  2020:A  34 TYR  CD1 :A  34 TYR  C   :   -0.551:        0

:  2020:A  42 PRO  CD  :A  41 LYS 2HB  :   -0.536:        0
:  2020:A  42 PRO  CD  :A  41 LYS  CB  :   -0.465:        0
:  2020:A  41 LYS 2HB  :A  42 PRO 2HD  :   -0.409:        0

:  2020:A  93 HIS  CD2 :A  93 HIS  O   :   -0.453:        0

:  2020:A  88 GLN  HA  :A  91 VAL 2HG2 :   -0.413:        0

:  2020:A  32 HIS  O   :A  33 SER 1HB  :   -0.413:        0

:  2020:A   9 MET 2HG  :A   5 THR 2HG2 :   -0.410:        0
#sum2 ::4.46 clashscore : 4.46 clashscore B<40 
#summary::2020 atoms:2020 atoms B<40:226414 potential dots:14150.0 A^2:9 bumps:9 bumps B<40:784.7 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2020:A  27 GLY  O   :A  28 LYS  CB  :   -0.501:        0
:  2020:A  28 LYS 1HB  :A  27 GLY  O   :   -0.469:        0
:  2020:A  28 LYS  N   :A  26 GLU  O   :   -0.452:        0

:  2020:A  41 LYS  N   :A  42 PRO 1HD  :   -0.439:        0
:  2020:A  42 PRO  CD  :A  41 LYS 2HB  :   -0.410:        0

:  2020:A   3 SER  C   :A   2 LEU  O   :   -0.430:        0
#sum2 ::2.97 clashscore : 2.97 clashscore B<40 
#summary::2020 atoms:2020 atoms B<40:226591 potential dots:14160.0 A^2:6 bumps:6 bumps B<40:828.4 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2020:A   6 LEU  CG  :A   6 LEU  O   :   -0.545:        0
:  2020:A   6 LEU  O   :A   6 LEU  HG  :   -0.535:        0

:  2020:A  40 ILE  HB  :A  36 PHE  HA  :   -0.494:        0

:  2020:A  28 LYS  O   :A  29 ASN 1HB  :   -0.457:        0

:  2020:A  41 LYS 2HB  :A  42 PRO 2HD  :   -0.453:        0
:  2020:A  42 PRO  CD  :A  41 LYS 2HB  :   -0.440:        0

:  2020:A 109 THR  HB  :A  78 VAL 1HG2 :   -0.441:        0

:  2020:A  87 LEU  HA  :A  87 LEU 2HD1 :   -0.408:        0
#sum2 ::3.96 clashscore : 3.96 clashscore B<40 
#summary::2020 atoms:2020 atoms B<40:226526 potential dots:14160.0 A^2:8 bumps:8 bumps B<40:799.3 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2020:A  41 LYS 2HB  :A  42 PRO 2HD  :   -0.493:        0
:  2020:A  41 LYS  N   :A  42 PRO  CD  :   -0.413:        0
:  2020:A  41 LYS 1HB  :A  40 ILE  O   :   -0.412:        0

:  2020:A  32 HIS  O   :A  32 HIS  CD2 :   -0.400:        0
#sum2 ::1.98 clashscore : 1.98 clashscore B<40 
#summary::2020 atoms:2020 atoms B<40:226339 potential dots:14150.0 A^2:4 bumps:4 bumps B<40:840.8 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2020:A   1 MET  SD  :A   5 THR  HA  :   -0.600:        0
:  2020:A   1 MET  SD  :A 117 ILE 3HG2 :   -0.533:        0

:  2020:A  41 LYS 2HB  :A  42 PRO 2HD  :   -0.524:        0
:  2020:A  42 PRO  CD  :A  41 LYS 2HB  :   -0.455:        0

:  2020:A  40 ILE  HB  :A  36 PHE  HA  :   -0.463:        0

:  2020:A 123 ARG 1HG  :A 123 ARG  O   :   -0.425:        0

:  2020:A  88 GLN 1HG  :A  93 HIS 2HB  :   -0.418:        0

:  2020:A  50 LEU 2HD1 :A  50 LEU  HA  :   -0.402:        0
#sum2 ::3.96 clashscore : 3.96 clashscore B<40 
#summary::2020 atoms:2020 atoms B<40:226610 potential dots:14160.0 A^2:8 bumps:8 bumps B<40:730.6 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2020:A  40 ILE  O   :A  40 ILE 2HG2 :   -0.824:        0
:  2020:A  40 ILE  O   :A  40 ILE  CG2 :   -0.587:        0
:  2020:A  40 ILE  HB  :A  36 PHE  HA  :   -0.491:        0
:  2020:A  36 PHE  O   :A  37 PHE 1HB  :   -0.425:        0

:  2020:A  87 LEU 3HD2 :A  87 LEU  O   :   -0.606:        0
:  2020:A  87 LEU 3HD2 :A  87 LEU  C   :   -0.525:        0

:  2020:A   2 LEU  C   :A   1 MET  O   :   -0.575:        0

:  2020:A 123 ARG 1HG  :A 123 ARG  O2  :   -0.573:        0
:  2020:A 123 ARG  O2  :A 123 ARG  CG  :   -0.464:        0

:  2020:A  41 LYS 2HB  :A  42 PRO 2HD  :   -0.565:        0
:  2020:A  42 PRO  CD  :A  41 LYS  H   :   -0.497:        0

:  2020:A 110 LEU 1HD2 :A  13 MET  SD  :   -0.483:        0
:  2020:A 106 VAL  O   :A 110 LEU  HG  :   -0.411:        0
#sum2 ::6.44 clashscore : 6.44 clashscore B<40 
#summary::2020 atoms:2020 atoms B<40:226491 potential dots:14160.0 A^2:13 bumps:13 bumps B<40:754.6 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2020:A 110 LEU 1HD2 :A  13 MET  SD  :   -0.495:        0

:  2020:A  41 LYS  N   :A  42 PRO 1HD  :   -0.472:        0

:  2020:A  69 TYR 2HB  :A 112 ALA 1HB  :   -0.447:        0

:  2020:A  83 LEU 1HD2 :A  48 ASP  HA  :   -0.427:        0
#sum2 ::1.98 clashscore : 1.98 clashscore B<40 
#summary::2020 atoms:2020 atoms B<40:226562 potential dots:14160.0 A^2:4 bumps:4 bumps B<40:815.3 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2020:A  87 LEU 3HD2 :A  87 LEU  C   :   -0.636:        0
:  2020:A  40 ILE  O   :A  40 ILE 2HG2 :   -0.598:        0
:  2020:A  38 GLU 1HB  :A  34 TYR  HA  :   -0.513:        0
:  2020:A  87 LEU 3HD2 :A  87 LEU  O   :   -0.490:        0
:  2020:A  87 LEU  CD2 :A  87 LEU  C   :   -0.454:        0
:  2020:A  40 ILE  N   :A  40 ILE 2HD1 :   -0.438:        0
:  2020:A  40 ILE 1HG2 :A  87 LEU  HG  :   -0.433:        0
:  2020:A  91 VAL  HA  :A  34 TYR  CE1 :   -0.424:        0
:  2020:A  40 ILE 1HG1 :A  91 VAL 3HG2 :   -0.416:        0
:  2020:A  40 ILE  O   :A  40 ILE  CG2 :   -0.412:        0

:  2020:A  42 PRO  CD  :A  41 LYS 2HB  :   -0.599:        0
:  2020:A  41 LYS 2HB  :A  42 PRO 2HD  :   -0.506:        0
:  2020:A  42 PRO 1HD  :A  41 LYS  H   :   -0.504:        0
:  2020:A  42 PRO  CD  :A  41 LYS  CB  :   -0.442:        0

:  2020:A 114 LYS 2HG  :A   7 LEU 1HD1 :   -0.442:        0

:  2020:A 117 ILE 2HD1 :A 113 VAL 2HG1 :   -0.442:        0

:  2020:A  36 PHE 1HB  :A  35 ASP  O   :   -0.416:        0

:  2020:A 116 GLU 2HB  :A  69 TYR  CD2 :   -0.406:        0
#sum2 ::8.91 clashscore : 8.91 clashscore B<40 
#summary::2020 atoms:2020 atoms B<40:226764 potential dots:14170.0 A^2:18 bumps:18 bumps B<40:655.4 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2020:A  34 TYR  O   :A  35 ASP 1HB  :   -0.520:        0
:  2020:A  34 TYR 1HB  :A  33 SER  O   :   -0.431:        0

:  2020:A  40 ILE  HB  :A  36 PHE  HA  :   -0.518:        0

:  2020:A  85 LEU  O   :A  85 LEU 3HD2 :   -0.465:        0
:  2020:A  85 LEU 3HD2 :A  85 LEU  C   :   -0.412:        0

:  2020:A 109 THR  HB  :A  78 VAL 1HG2 :   -0.421:        0

:  2020:A  50 LEU 2HD1 :A  50 LEU  HA  :   -0.405:        0
#sum2 ::3.47 clashscore : 3.47 clashscore B<40 
#summary::2020 atoms:2020 atoms B<40:226647 potential dots:14170.0 A^2:7 bumps:7 bumps B<40:784.6 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2020:A  65 ARG  O   :A  66 ARG 1HB  :   -0.509:        0

:  2020:A 110 LEU 1HD2 :A  13 MET  SD  :   -0.475:        0
:  2020:A 110 LEU 3HD1 :A  14 ILE 2HG1 :   -0.403:        0

:  2020:A  42 PRO  CD  :A  41 LYS 2HB  :   -0.448:        0

:  2020:A  40 ILE 2HD1 :A  39 THR  HB  :   -0.437:        0

:  2020:A  32 HIS 2HB  :A  29 ASN  H   :   -0.409:        0

:  2020:A  88 GLN  HA  :A  91 VAL 2HG2 :   -0.408:        0
#sum2 ::3.47 clashscore : 3.47 clashscore B<40 
#summary::2020 atoms:2020 atoms B<40:226475 potential dots:14150.0 A^2:7 bumps:7 bumps B<40:831.4 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2020:A  87 LEU 3HD2 :A  87 LEU  O   :   -0.644:        0
:  2020:A  87 LEU 3HD2 :A  87 LEU  C   :   -0.628:        0
:  2020:A  87 LEU  C   :A  87 LEU  CD2 :   -0.471:        0

:  2020:A  88 GLN 1HG  :A  93 HIS 2HB  :   -0.528:        0

:  2020:A  70 VAL 3HG2 :A 109 THR 3HG2 :   -0.434:        0

:  2020:A  42 PRO  CD  :A  41 LYS 2HB  :   -0.424:        0

:  2020:A  90 TYR 1HB  :A  40 ILE 1HD1 :   -0.408:        0

:  2020:A  54 TRP  CZ2 :A 110 LEU 3HD2 :   -0.402:        0
#sum2 ::3.96 clashscore : 3.96 clashscore B<40 
#summary::2020 atoms:2020 atoms B<40:226700 potential dots:14170.0 A^2:8 bumps:8 bumps B<40:815.6 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2020:A  42 PRO  CD  :A  41 LYS 2HB  :   -0.606:        0
:  2020:A  42 PRO  CD  :A  41 LYS  CB  :   -0.469:        0
:  2020:A  41 LYS 2HB  :A  42 PRO 2HD  :   -0.431:        0

:  2020:A   2 LEU  HG  :A   4 GLN  H   :   -0.588:        0

:  2020:A  50 LEU  O   :A  50 LEU 3HD2 :   -0.581:        0
:  2020:A  50 LEU  C   :A  50 LEU 3HD2 :   -0.507:        0
:  2020:A  50 LEU 1HD1 :A  12 GLN 1HG  :   -0.406:        0

:  2020:A  40 ILE  O   :A  40 ILE 2HG2 :   -0.541:        0
:  2020:A  40 ILE 2HD1 :A  36 PHE  HA  :   -0.476:        0
:  2020:A  36 PHE 1HB  :A  35 ASP  O   :   -0.468:        0

:  2020:A  32 HIS  O   :A  33 SER 1HB  :   -0.512:        0
:  2020:A  32 HIS  C   :A  34 TYR  H   :   -0.430:        0

:  2020:A  54 TRP  HA  :A   9 MET  SD  :   -0.507:        0

:  2020:A  29 ASN  O   :A  30 SER 2HB  :   -0.466:        0

:  2020:A 123 ARG 1HG  :A 123 ARG  O2  :   -0.451:        0

:  2020:A 116 GLU 2HG  :A  70 VAL 2HG1 :   -0.438:        0

:  2020:A 110 LEU 1HD2 :A  13 MET  SD  :   -0.427:        0
:  2020:A 110 LEU 3HD1 :A  14 ILE  CG1 :   -0.400:        0

:  2020:A  94 ILE  CD1 :A  99 PHE 1HB  :   -0.423:        0
:  2020:A  94 ILE  H   :A  94 ILE 2HD1 :   -0.409:        0
#sum2 ::9.90 clashscore : 9.90 clashscore B<40 
#summary::2020 atoms:2020 atoms B<40:226507 potential dots:14160.0 A^2:20 bumps:20 bumps B<40:674.3 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2020:A  79 LYS 2HG  :A  51 ALA 1HB  :   -0.567:        0

:  2020:A   4 GLN  O   :A   5 THR  HB  :   -0.565:        0

:  2020:A  41 LYS 2HB  :A  42 PRO 2HD  :   -0.550:        0
:  2020:A  42 PRO  CD  :A  41 LYS  H   :   -0.512:        0
:  2020:A  42 PRO 1HD  :A  41 LYS  H   :   -0.432:        0

:  2020:A  40 ILE  O   :A  40 ILE 2HG2 :   -0.519:        0
:  2020:A  40 ILE  HB  :A  36 PHE  HA  :   -0.480:        0

:  2020:A  35 ASP 2HB  :A  38 GLU 2HB  :   -0.514:        0

:  2020:A  67 PRO 2HD  :A  62 ILE  HB  :   -0.503:        0

:  2020:A 114 LYS 2HG  :A   7 LEU 1HD1 :   -0.448:        0

:  2020:A  10 THR  HG1 :A  54 TRP  HE1 :   -0.417:        0

:  2020:A  94 ILE 1HG1 :A  99 PHE 1HB  :   -0.416:        0
:  2020:A  94 ILE 3HD1 :A  88 GLN 1HE2 :   -0.401:        0

:  2020:A  93 HIS  H   :A  91 VAL 3HG2 :   -0.414:        0

:  2020:A  70 VAL 2HG2 :A  71 HIS  N   :   -0.408:        0
#sum2 ::7.43 clashscore : 7.43 clashscore B<40 
#summary::2020 atoms:2020 atoms B<40:226580 potential dots:14160.0 A^2:15 bumps:15 bumps B<40:658 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2020:A  87 LEU 3HD2 :A  87 LEU  C   :   -0.546:        0
:  2020:A  87 LEU 3HD2 :A  87 LEU  O   :   -0.444:        0

:  2020:A 120 GLU  O   :A 121 ASP 1HB  :   -0.517:        0

:  2020:A  65 ARG  O   :A  66 ARG 1HB  :   -0.492:        0

:  2020:A  69 TYR 1HB  :A 116 GLU 2HG  :   -0.491:        0

:  2020:A  41 LYS 2HB  :A  42 PRO 2HD  :   -0.487:        0

:  2020:A  29 ASN 1HB  :A  26 GLU 2HB  :   -0.481:        0

:  2020:A  94 ILE  H   :A  94 ILE 2HD1 :   -0.445:        0
:  2020:A  94 ILE  CD1 :A  94 ILE  H   :   -0.411:        0

:  2020:A  70 VAL 1HG1 :A 113 VAL 2HG2 :   -0.422:        0
#sum2 ::4.95 clashscore : 4.95 clashscore B<40 
#summary::2020 atoms:2020 atoms B<40:226698 potential dots:14170.0 A^2:10 bumps:10 bumps B<40:797.4 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2020:A  41 LYS 2HB  :A  42 PRO 2HD  :   -0.491:        0

:  2020:A  40 ILE 2HD1 :A  36 PHE  HA  :   -0.489:        0
:  2020:A  40 ILE  HB  :A  36 PHE  HA  :   -0.485:        0
:  2020:A  44 VAL 3HG2 :A  40 ILE 2HG2 :   -0.433:        0

:  2020:A 120 GLU  O   :A 121 ASP 1HB  :   -0.472:        0

:  2020:A  10 THR  HG1 :A  54 TRP  HE1 :   -0.446:        0

:  2020:A  69 TYR 1HB  :A 116 GLU 2HG  :   -0.439:        0

:  2020:A  65 ARG  O   :A  62 ILE  HA  :   -0.402:        0
#sum2 ::3.96 clashscore : 3.96 clashscore B<40 
#summary::2020 atoms:2020 atoms B<40:226510 potential dots:14160.0 A^2:8 bumps:8 bumps B<40:800.3 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2020:A  40 ILE 2HG2 :A  40 ILE  O   :   -0.823:        0
:  2020:A  40 ILE  O   :A  40 ILE  CG2 :   -0.603:        0

:  2020:A   5 THR  CB  :A   4 GLN  O   :   -0.734:        0
:  2020:A   5 THR  HB  :A   4 GLN  O   :   -0.583:        0
:  2020:A   4 GLN  O   :A   5 THR  OG1 :   -0.475:        0

:  2020:A   1 MET  HA  :A 118 ALA 1HB  :   -0.578:        0
:  2020:A   7 LEU 2HD2 :A   3 SER  OG  :   -0.519:        0
:  2020:A   3 SER 2HB  :A   1 MET  O   :   -0.484:        0
:  2020:A   2 LEU  O   :A   3 SER 1HB  :   -0.463:        0
:  2020:A   1 MET  O   :A   2 LEU  C   :   -0.461:        0
:  2020:A 118 ALA  O   :A   2 LEU 2HD1 :   -0.435:        0

:  2020:A  42 PRO  CD  :A  41 LYS 2HB  :   -0.564:        0
:  2020:A  41 LYS  H   :A  42 PRO 1HD  :   -0.500:        0
:  2020:A  42 PRO 2HD  :A  41 LYS 2HB  :   -0.470:        0

:  2020:A 121 ASP 1HB  :A 120 GLU  O   :   -0.551:        0

:  2020:A  68 LYS  O   :A  69 TYR 1HB  :   -0.509:        0

:  2020:A  67 PRO 2HB  :A  62 ILE 2HG2 :   -0.470:        0
:  2020:A  59 LEU  HA  :A  62 ILE 1HG1 :   -0.418:        0

:  2020:A  39 THR 3HG2 :A  38 GLU 1HG  :   -0.462:        0

:  2020:A 117 ILE 1HG2 :A   6 LEU 1HB  :   -0.427:        0

:  2020:A  54 TRP  HA  :A   9 MET  SD  :   -0.408:        0
#sum2 ::10.40 clashscore : 10.40 clashscore B<40 
#summary::2020 atoms:2020 atoms B<40:226408 potential dots:14150.0 A^2:21 bumps:21 bumps B<40:703 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2020:A  88 GLN 1HG  :A  84 GLU  O   :   -0.527:        0
:  2020:A  88 GLN  HA  :A  91 VAL 2HG2 :   -0.405:        0

:  2020:A  37 PHE  O   :A  38 GLU 1HB  :   -0.426:        0

:  2020:A  50 LEU 2HD1 :A  50 LEU  HA  :   -0.422:        0

:  2020:A 110 LEU 3HD1 :A  14 ILE 2HG1 :   -0.419:        0
:  2020:A  54 TRP  CZ2 :A 110 LEU 3HD2 :   -0.404:        0

:  2020:A 109 THR  HB  :A  78 VAL  CG2 :   -0.409:        0
:  2020:A  70 VAL 3HG2 :A 109 THR 3HG2 :   -0.407:        0

:  2020:A  41 LYS 2HB  :A  42 PRO 2HD  :   -0.407:        0
#sum2 ::4.46 clashscore : 4.46 clashscore B<40 
#summary::2020 atoms:2020 atoms B<40:226330 potential dots:14150.0 A^2:9 bumps:9 bumps B<40:807.7 score

Output from PDB validation software

Summary from PDB validation

                                                       May. 10, 17:08:39 2013

[ Text modified to reflect that this was run under PSVS - Aneerban Bhattacharya: Dec 2005 ]


The following checks were made on :
-----------------------------------------

CLOSE CONTACTS

==> Distances smaller than 2.2 Angstroms are considered as close contacts
    for heavy atoms, 1.6 Angstroms for hydrogens.

   Chain Atom    Res  Seq   Chain Atom    Res  Seq   Mol_ID            Distance
   -------------------------------------------------------------------------
       A  O      THR    5 -     A  H      LEU    7       16            Dist = 1.55


DISTANCES AND ANGLES 

We have checked your intra and intermolecular distances and angles with the
procedures currently in place at PDB:

==> Bond and angle checks are performed by first computing the average rms
    error for all bonds and angles relative to standard values for nucleotide
    units [L. Clowney et al., Geometric Parameters in Nucleic Acids: Nitrogenous
    Bases, J.Am.Chem.Soc. 1996, 118, 509-518; A. Gelbin et al., Geometric
    Parameters in Nucleic Acids: Sugar and Phosphate Constituents, J.Am.Chem.Soc.
    1996, 118, 519-529] and amino acid units [R.A. Engh and R. Huber, Accurate
    Bond and Angle Parameters for X-ray protein structure refinement, Acta
    Crystallogr. 1991, A47, 392-400]. Any bond or angle which deviates from the
    dictionary values by more than six times this computed rms error is 
    identified as an outlier.



    *** Covalent Bond Lengths:


The RMS deviation for covalent bonds relative to the standard 
dictionary is   0.010 Angstroms


The following table contains a list of the covalent bonds
greater than 6.0*RMSD.


 Deviation  Residue  Chain  Sequence  Model  AT1  -  AT2    Bond    Dictionary
             Name     ID     Number                 Distance    Value
------------------------------------------------------------------------
   0.073     PRO        A     42        3   CD   -  N      1.546     1.473

    *** Covalent Angle Values:


The RMS deviation for covalent angles relative to the standard 
dictionary is    0.6 degrees.


All covalent bond angles lie within a 6.0*RMSD range about the 
standard dictionary values.


TORSION ANGLES
 
The torsion angle distributions have been checked.  The postscript file of the
conformation rings showing the torsion angle distributions will be sent in a
separate E-mail message.


CHIRALITY

The chirality has been checked. O1P, O2P, and hydrogen atoms which do not
follow the convention defined in the IUBMB (Liebecq, C. Compendium of
Biochemical Nomenclature and Related Documents, 2nd ed.; Portland Press:
London and Chapel Hill, 1992) and IUPAC nomenclature (J.L. Markley, A. Bax,
Y. Arata, C.W. Hilbers, R. Kaptein, B.D. Sykes, P.E. Wright and K. W�thrich,
Recommendations for the Presentation of NMR Structures of Proteins and
Nucleic Acids, Pure & Appl. Chem., Vol. 70, pp. 117-142, 1998) have been
standardized.  Any other stereochemical violations are listed below.


E/Z NOMENCLATURE

E/Z nomenclature of hydrogens and/or nitrogens on Arg, Asn or Gln residues needs
to be corrected to conform with the standard for E/Z orientation presented in
[J.L. Markley, et al., Recommendations for the Presentation of NMR Structures of
Proteins and Nucleic Acids, Pure & Appl. Chem., 1998, 70, 117-142]. 

Model  Chain  Residue  Residue  Atom Name  Original
               Name    Number              Atom Name
-----  -----  -------  -------  --------   ---------
  1    A       GLN        4      1HE2
  1    A       GLN        4      2HE2
  1    A       GLN       12      1HE2
  1    A       GLN       12      2HE2
  1    A       GLN       25      1HE2
  1    A       GLN       25      2HE2
  1    A       ASN       29      1HD2
  1    A       ASN       29      2HD2
  1    A       ASN       31      1HD2
  1    A       ASN       31      2HD2
  1    A       ASN       47      1HD2
  1    A       ASN       47      2HD2
  1    A       GLN       74      1HE2
  1    A       GLN       74      2HE2
  1    A       ASN       81      1HD2
  1    A       ASN       81      2HD2
  1    A       GLN       88      1HE2
  1    A       GLN       88      2HE2
  2    A       GLN        4      1HE2
  2    A       GLN        4      2HE2
  2    A       GLN       12      1HE2
  2    A       GLN       12      2HE2
  2    A       GLN       25      1HE2
  2    A       GLN       25      2HE2
  2    A       ASN       29      1HD2
  2    A       ASN       29      2HD2
  2    A       ASN       31      1HD2
  2    A       ASN       31      2HD2
  2    A       ASN       47      1HD2
  2    A       ASN       47      2HD2
  2    A       GLN       74      1HE2
  2    A       GLN       74      2HE2
  2    A       ASN       81      1HD2
  2    A       ASN       81      2HD2
  2    A       GLN       88      1HE2
  2    A       GLN       88      2HE2
  3    A       GLN        4      1HE2
  3    A       GLN        4      2HE2
  3    A       GLN       12      1HE2
  3    A       GLN       12      2HE2
  3    A       GLN       25      1HE2
  3    A       GLN       25      2HE2
  3    A       ASN       29      1HD2
  3    A       ASN       29      2HD2
  3    A       ASN       31      1HD2
  3    A       ASN       31      2HD2
  3    A       ASN       47      1HD2
  3    A       ASN       47      2HD2
  3    A       GLN       74      1HE2
  3    A       GLN       74      2HE2
  3    A       ASN       81      1HD2
  3    A       ASN       81      2HD2
  3    A       GLN       88      1HE2
  3    A       GLN       88      2HE2
  4    A       GLN        4      1HE2
  4    A       GLN        4      2HE2
  4    A       GLN       12      1HE2
  4    A       GLN       12      2HE2
  4    A       GLN       25      1HE2
  4    A       GLN       25      2HE2
  4    A       ASN       29      1HD2
  4    A       ASN       29      2HD2
  4    A       ASN       31      1HD2
  4    A       ASN       31      2HD2
  4    A       ASN       47      1HD2
  4    A       ASN       47      2HD2
  4    A       GLN       74      1HE2
  4    A       GLN       74      2HE2
  4    A       ASN       81      1HD2
  4    A       ASN       81      2HD2
  4    A       GLN       88      1HE2
  4    A       GLN       88      2HE2
  5    A       GLN        4      1HE2
  5    A       GLN        4      2HE2
  5    A       GLN       12      1HE2
  5    A       GLN       12      2HE2
  5    A       GLN       25      1HE2
  5    A       GLN       25      2HE2
  5    A       ASN       29      1HD2
  5    A       ASN       29      2HD2
  5    A       ASN       31      1HD2
  5    A       ASN       31      2HD2
  5    A       ASN       47      1HD2
  5    A       ASN       47      2HD2
  5    A       GLN       74      1HE2
  5    A       GLN       74      2HE2
  5    A       ASN       81      1HD2
  5    A       ASN       81      2HD2
  5    A       GLN       88      1HE2
  5    A       GLN       88      2HE2
  6    A       GLN        4      1HE2
  6    A       GLN        4      2HE2
  6    A       GLN       12      1HE2
  6    A       GLN       12      2HE2
  6    A       GLN       25      1HE2
  6    A       GLN       25      2HE2
  6    A       ASN       29      1HD2
  6    A       ASN       29      2HD2
  6    A       ASN       31      1HD2
  6    A       ASN       31      2HD2
  6    A       ASN       47      1HD2
  6    A       ASN       47      2HD2
  6    A       GLN       74      1HE2
  6    A       GLN       74      2HE2
  6    A       ASN       81      1HD2
  6    A       ASN       81      2HD2
  6    A       GLN       88      1HE2
  6    A       GLN       88      2HE2
  7    A       GLN        4      1HE2
  7    A       GLN        4      2HE2
  7    A       GLN       12      1HE2
  7    A       GLN       12      2HE2
  7    A       GLN       25      1HE2
  7    A       GLN       25      2HE2
  7    A       ASN       29      1HD2
  7    A       ASN       29      2HD2
  7    A       ASN       31      1HD2
  7    A       ASN       31      2HD2
  7    A       ASN       47      1HD2
  7    A       ASN       47      2HD2
  7    A       GLN       74      1HE2
  7    A       GLN       74      2HE2
  7    A       ASN       81      1HD2
  7    A       ASN       81      2HD2
  7    A       GLN       88      1HE2
  7    A       GLN       88      2HE2
  8    A       GLN        4      1HE2
  8    A       GLN        4      2HE2
  8    A       GLN       12      1HE2
  8    A       GLN       12      2HE2
  8    A       GLN       25      1HE2
  8    A       GLN       25      2HE2
  8    A       ASN       29      1HD2
  8    A       ASN       29      2HD2
  8    A       ASN       31      1HD2
  8    A       ASN       31      2HD2
  8    A       ASN       47      1HD2
  8    A       ASN       47      2HD2
  8    A       GLN       74      1HE2
  8    A       GLN       74      2HE2
  8    A       ASN       81      1HD2
  8    A       ASN       81      2HD2
  8    A       GLN       88      1HE2
  8    A       GLN       88      2HE2
  9    A       GLN        4      1HE2
  9    A       GLN        4      2HE2
  9    A       GLN       12      1HE2
  9    A       GLN       12      2HE2
  9    A       GLN       25      1HE2
  9    A       GLN       25      2HE2
  9    A       ASN       29      1HD2
  9    A       ASN       29      2HD2
  9    A       ASN       31      1HD2
  9    A       ASN       31      2HD2
  9    A       ASN       47      1HD2
  9    A       ASN       47      2HD2
  9    A       GLN       74      1HE2
  9    A       GLN       74      2HE2
  9    A       ASN       81      1HD2
  9    A       ASN       81      2HD2
  9    A       GLN       88      1HE2
  9    A       GLN       88      2HE2
 10    A       GLN        4      1HE2
 10    A       GLN        4      2HE2
 10    A       GLN       12      1HE2
 10    A       GLN       12      2HE2
 10    A       GLN       25      1HE2
 10    A       GLN       25      2HE2
 10    A       ASN       29      1HD2
 10    A       ASN       29      2HD2
 10    A       ASN       31      1HD2
 10    A       ASN       31      2HD2
 10    A       ASN       47      1HD2
 10    A       ASN       47      2HD2
 10    A       GLN       74      1HE2
 10    A       GLN       74      2HE2
 10    A       ASN       81      1HD2
 10    A       ASN       81      2HD2
 10    A       GLN       88      1HE2
 10    A       GLN       88      2HE2
 11    A       GLN        4      1HE2
 11    A       GLN        4      2HE2
 11    A       GLN       12      1HE2
 11    A       GLN       12      2HE2
 11    A       GLN       25      1HE2
 11    A       GLN       25      2HE2
 11    A       ASN       29      1HD2
 11    A       ASN       29      2HD2
 11    A       ASN       31      1HD2
 11    A       ASN       31      2HD2
 11    A       ASN       47      1HD2
 11    A       ASN       47      2HD2
 11    A       GLN       74      1HE2
 11    A       GLN       74      2HE2
 11    A       ASN       81      1HD2
 11    A       ASN       81      2HD2
 11    A       GLN       88      1HE2
 11    A       GLN       88      2HE2
 12    A       GLN        4      1HE2
 12    A       GLN        4      2HE2
 12    A       GLN       12      1HE2
 12    A       GLN       12      2HE2
 12    A       GLN       25      1HE2
 12    A       GLN       25      2HE2
 12    A       ASN       29      1HD2
 12    A       ASN       29      2HD2
 12    A       ASN       31      1HD2
 12    A       ASN       31      2HD2
 12    A       ASN       47      1HD2
 12    A       ASN       47      2HD2
 12    A       GLN       74      1HE2
 12    A       GLN       74      2HE2
 12    A       ASN       81      1HD2
 12    A       ASN       81      2HD2
 12    A       GLN       88      1HE2
 12    A       GLN       88      2HE2
 13    A       GLN        4      1HE2
 13    A       GLN        4      2HE2
 13    A       GLN       12      1HE2
 13    A       GLN       12      2HE2
 13    A       GLN       25      1HE2
 13    A       GLN       25      2HE2
 13    A       ASN       29      1HD2
 13    A       ASN       29      2HD2
 13    A       ASN       31      1HD2
 13    A       ASN       31      2HD2
 13    A       ASN       47      1HD2
 13    A       ASN       47      2HD2
 13    A       GLN       74      1HE2
 13    A       GLN       74      2HE2
 13    A       ASN       81      1HD2
 13    A       ASN       81      2HD2
 13    A       GLN       88      1HE2
 13    A       GLN       88      2HE2
 14    A       GLN        4      1HE2
 14    A       GLN        4      2HE2
 14    A       GLN       12      1HE2
 14    A       GLN       12      2HE2
 14    A       GLN       25      1HE2
 14    A       GLN       25      2HE2
 14    A       ASN       29      1HD2
 14    A       ASN       29      2HD2
 14    A       ASN       31      1HD2
 14    A       ASN       31      2HD2
 14    A       ASN       47      1HD2
 14    A       ASN       47      2HD2
 14    A       GLN       74      1HE2
 14    A       GLN       74      2HE2
 14    A       ASN       81      1HD2
 14    A       ASN       81      2HD2
 14    A       GLN       88      1HE2
 14    A       GLN       88      2HE2
 15    A       GLN        4      1HE2
 15    A       GLN        4      2HE2
 15    A       GLN       12      1HE2
 15    A       GLN       12      2HE2
 15    A       GLN       25      1HE2
 15    A       GLN       25      2HE2
 15    A       ASN       29      1HD2
 15    A       ASN       29      2HD2
 15    A       ASN       31      1HD2
 15    A       ASN       31      2HD2
 15    A       ASN       47      1HD2
 15    A       ASN       47      2HD2
 15    A       GLN       74      1HE2
 15    A       GLN       74      2HE2
 15    A       ASN       81      1HD2
 15    A       ASN       81      2HD2
 15    A       GLN       88      1HE2
 15    A       GLN       88      2HE2
 16    A       GLN        4      1HE2
 16    A       GLN        4      2HE2
 16    A       GLN       12      1HE2
 16    A       GLN       12      2HE2
 16    A       GLN       25      1HE2
 16    A       GLN       25      2HE2
 16    A       ASN       29      1HD2
 16    A       ASN       29      2HD2
 16    A       ASN       31      1HD2
 16    A       ASN       31      2HD2
 16    A       ASN       47      1HD2
 16    A       ASN       47      2HD2
 16    A       GLN       74      1HE2
 16    A       GLN       74      2HE2
 16    A       ASN       81      1HD2
 16    A       ASN       81      2HD2
 16    A       GLN       88      1HE2
 16    A       GLN       88      2HE2
 17    A       GLN        4      1HE2
 17    A       GLN        4      2HE2
 17    A       GLN       12      1HE2
 17    A       GLN       12      2HE2
 17    A       GLN       25      1HE2
 17    A       GLN       25      2HE2
 17    A       ASN       29      1HD2
 17    A       ASN       29      2HD2
 17    A       ASN       31      1HD2
 17    A       ASN       31      2HD2
 17    A       ASN       47      1HD2
 17    A       ASN       47      2HD2
 17    A       GLN       74      1HE2
 17    A       GLN       74      2HE2
 17    A       ASN       81      1HD2
 17    A       ASN       81      2HD2
 17    A       GLN       88      1HE2
 17    A       GLN       88      2HE2
 18    A       GLN        4      1HE2
 18    A       GLN        4      2HE2
 18    A       GLN       12      1HE2
 18    A       GLN       12      2HE2
 18    A       GLN       25      1HE2
 18    A       GLN       25      2HE2
 18    A       ASN       29      1HD2
 18    A       ASN       29      2HD2
 18    A       ASN       31      1HD2
 18    A       ASN       31      2HD2
 18    A       ASN       47      1HD2
 18    A       ASN       47      2HD2
 18    A       GLN       74      1HE2
 18    A       GLN       74      2HE2
 18    A       ASN       81      1HD2
 18    A       ASN       81      2HD2
 18    A       GLN       88      1HE2
 18    A       GLN       88      2HE2
 19    A       GLN        4      1HE2
 19    A       GLN        4      2HE2
 19    A       GLN       12      1HE2
 19    A       GLN       12      2HE2
 19    A       GLN       25      1HE2
 19    A       GLN       25      2HE2
 19    A       ASN       29      1HD2
 19    A       ASN       29      2HD2
 19    A       ASN       31      1HD2
 19    A       ASN       31      2HD2
 19    A       ASN       47      1HD2
 19    A       ASN       47      2HD2
 19    A       GLN       74      1HE2
 19    A       GLN       74      2HE2
 19    A       ASN       81      1HD2
 19    A       ASN       81      2HD2
 19    A       GLN       88      1HE2
 19    A       GLN       88      2HE2
 20    A       GLN        4      1HE2
 20    A       GLN        4      2HE2
 20    A       GLN       12      1HE2
 20    A       GLN       12      2HE2
 20    A       GLN       25      1HE2
 20    A       GLN       25      2HE2
 20    A       ASN       29      1HD2
 20    A       ASN       29      2HD2
 20    A       ASN       31      1HD2
 20    A       ASN       31      2HD2
 20    A       ASN       47      1HD2
 20    A       ASN       47      2HD2
 20    A       GLN       74      1HE2
 20    A       GLN       74      2HE2
 20    A       ASN       81      1HD2
 20    A       ASN       81      2HD2
 20    A       GLN       88      1HE2
 20    A       GLN       88      2HE2

OTHER IMPORTANT ISSUES



==> The following residues have missing atoms:                        

     RES MOD#C SEQ          ATOMS

     GLU(  1 A   8)         HE2 
     GLU(  1 A  11)         HE2 
     GLU(  1 A  15)         HE2 
     GLU(  1 A  18)         HE2 
     ASP(  1 A  22)         HD2 
     GLU(  1 A  26)         HE2 
     HIS(  1 A  32)         HD1 
     ASP(  1 A  35)         HD2 
     GLU(  1 A  38)         HE2 
     GLU(  1 A  45)         HE2 
     GLU(  1 A  46)         HE2 
     ASP(  1 A  48)         HD2 
     GLU(  1 A  49)         HE2 
     GLU(  1 A  56)         HE2 
     GLU(  1 A  60)         HE2 
     HIS(  1 A  71)         HD1 
     GLU(  1 A  73)         HE2 
     GLU(  1 A  76)         HE2 
     ASP(  1 A  80)         HD2 
     GLU(  1 A  84)         HE2 
     HIS(  1 A  92)         HD1 
     HIS(  1 A  93)         HD1 
     HIS(  1 A  95)         HD1 
     ASP(  1 A 101)         HD2 
     GLU(  1 A 104)         HE2 
     HIS(  1 A 111)         HD1 
     ASP(  1 A 115)         HD2 
     GLU(  1 A 116)         HE2 
     GLU(  1 A 120)         HE2 
     ASP(  1 A 121)         HD2 
     GLU(  2 A   8)         HE2 
     GLU(  2 A  11)         HE2 
     GLU(  2 A  15)         HE2 
     GLU(  2 A  18)         HE2 
     ASP(  2 A  22)         HD2 
     GLU(  2 A  26)         HE2 
     HIS(  2 A  32)         HD1 
     ASP(  2 A  35)         HD2 
     GLU(  2 A  38)         HE2 
     GLU(  2 A  45)         HE2 
     GLU(  2 A  46)         HE2 
     ASP(  2 A  48)         HD2 
     GLU(  2 A  49)         HE2 
     GLU(  2 A  56)         HE2 
     GLU(  2 A  60)         HE2 
     HIS(  2 A  71)         HD1 
     GLU(  2 A  73)         HE2 
     GLU(  2 A  76)         HE2 
     ASP(  2 A  80)         HD2 
     GLU(  2 A  84)         HE2 
     HIS(  2 A  92)         HD1 
     HIS(  2 A  93)         HD1 
     HIS(  2 A  95)         HD1 
     ASP(  2 A 101)         HD2 
     GLU(  2 A 104)         HE2 
     HIS(  2 A 111)         HD1 
     ASP(  2 A 115)         HD2 
     GLU(  2 A 116)         HE2 
     GLU(  2 A 120)         HE2 
     ASP(  2 A 121)         HD2 
     GLU(  3 A   8)         HE2 
     GLU(  3 A  11)         HE2 
     GLU(  3 A  15)         HE2 
     GLU(  3 A  18)         HE2 
     ASP(  3 A  22)         HD2 
     GLU(  3 A  26)         HE2 
     HIS(  3 A  32)         HD1 
     ASP(  3 A  35)         HD2 
     GLU(  3 A  38)         HE2 
     GLU(  3 A  45)         HE2 
     GLU(  3 A  46)         HE2 
     ASP(  3 A  48)         HD2 
     GLU(  3 A  49)         HE2 
     GLU(  3 A  56)         HE2 
     GLU(  3 A  60)         HE2 
     HIS(  3 A  71)         HD1 
     GLU(  3 A  73)         HE2 
     GLU(  3 A  76)         HE2 
     ASP(  3 A  80)         HD2 
     GLU(  3 A  84)         HE2 
     HIS(  3 A  92)         HD1 
     HIS(  3 A  93)         HD1 
     HIS(  3 A  95)         HD1 
     ASP(  3 A 101)         HD2 
     GLU(  3 A 104)         HE2 
     HIS(  3 A 111)         HD1 
     ASP(  3 A 115)         HD2 
     GLU(  3 A 116)         HE2 
     GLU(  3 A 120)         HE2 
     ASP(  3 A 121)         HD2 
     GLU(  4 A   8)         HE2 
     GLU(  4 A  11)         HE2 
     GLU(  4 A  15)         HE2 
     GLU(  4 A  18)         HE2 
     ASP(  4 A  22)         HD2 
     GLU(  4 A  26)         HE2 
     HIS(  4 A  32)         HD1 
     ASP(  4 A  35)         HD2 
     GLU(  4 A  38)         HE2 
     GLU(  4 A  45)         HE2 
     GLU(  4 A  46)         HE2 
     ASP(  4 A  48)         HD2 
     GLU(  4 A  49)         HE2 
     GLU(  4 A  56)         HE2 
     GLU(  4 A  60)         HE2 
     HIS(  4 A  71)         HD1 
     GLU(  4 A  73)         HE2 
     GLU(  4 A  76)         HE2 
     ASP(  4 A  80)         HD2 
     GLU(  4 A  84)         HE2 
     HIS(  4 A  92)         HD1 
     HIS(  4 A  93)         HD1 
     HIS(  4 A  95)         HD1 
     ASP(  4 A 101)         HD2 
     GLU(  4 A 104)         HE2 
     HIS(  4 A 111)         HD1 
     ASP(  4 A 115)         HD2 
     GLU(  4 A 116)         HE2 
     GLU(  4 A 120)         HE2 
     ASP(  4 A 121)         HD2 
     GLU(  5 A   8)         HE2 
     GLU(  5 A  11)         HE2 
     GLU(  5 A  15)         HE2 
     GLU(  5 A  18)         HE2 
     ASP(  5 A  22)         HD2 
     GLU(  5 A  26)         HE2 
     HIS(  5 A  32)         HD1 
     ASP(  5 A  35)         HD2 
     GLU(  5 A  38)         HE2 
     GLU(  5 A  45)         HE2 
     GLU(  5 A  46)         HE2 
     ASP(  5 A  48)         HD2 
     GLU(  5 A  49)         HE2 
     GLU(  5 A  56)         HE2 
     GLU(  5 A  60)         HE2 
     HIS(  5 A  71)         HD1 
     GLU(  5 A  73)         HE2 
     GLU(  5 A  76)         HE2 
     ASP(  5 A  80)         HD2 
     GLU(  5 A  84)         HE2 
     HIS(  5 A  92)         HD1 
     HIS(  5 A  93)         HD1 
     HIS(  5 A  95)         HD1 
     ASP(  5 A 101)         HD2 
     GLU(  5 A 104)         HE2 
     HIS(  5 A 111)         HD1 
     ASP(  5 A 115)         HD2 
     GLU(  5 A 116)         HE2 
     GLU(  5 A 120)         HE2 
     ASP(  5 A 121)         HD2 
     GLU(  6 A   8)         HE2 
     GLU(  6 A  11)         HE2 
     GLU(  6 A  15)         HE2 
     GLU(  6 A  18)         HE2 
     ASP(  6 A  22)         HD2 
     GLU(  6 A  26)         HE2 
     HIS(  6 A  32)         HD1 
     ASP(  6 A  35)         HD2 
     GLU(  6 A  38)         HE2 
     GLU(  6 A  45)         HE2 
     GLU(  6 A  46)         HE2 
     ASP(  6 A  48)         HD2 
     GLU(  6 A  49)         HE2 
     GLU(  6 A  56)         HE2 
     GLU(  6 A  60)         HE2 
     HIS(  6 A  71)         HD1 
     GLU(  6 A  73)         HE2 
     GLU(  6 A  76)         HE2 
     ASP(  6 A  80)         HD2 
     GLU(  6 A  84)         HE2 
     HIS(  6 A  92)         HD1 
     HIS(  6 A  93)         HD1 
     HIS(  6 A  95)         HD1 
     ASP(  6 A 101)         HD2 
     GLU(  6 A 104)         HE2 
     HIS(  6 A 111)         HD1 
     ASP(  6 A 115)         HD2 
     GLU(  6 A 116)         HE2 
     GLU(  6 A 120)         HE2 
     ASP(  6 A 121)         HD2 
     GLU(  7 A   8)         HE2 
     GLU(  7 A  11)         HE2 
     GLU(  7 A  15)         HE2 
     GLU(  7 A  18)         HE2 
     ASP(  7 A  22)         HD2 
     GLU(  7 A  26)         HE2 
     HIS(  7 A  32)         HD1 
     ASP(  7 A  35)         HD2 
     GLU(  7 A  38)         HE2 
     GLU(  7 A  45)         HE2 
     GLU(  7 A  46)         HE2 
     ASP(  7 A  48)         HD2 
     GLU(  7 A  49)         HE2 
     GLU(  7 A  56)         HE2 
     GLU(  7 A  60)         HE2 
     HIS(  7 A  71)         HD1 
     GLU(  7 A  73)         HE2 
     GLU(  7 A  76)         HE2 
     ASP(  7 A  80)         HD2 
     GLU(  7 A  84)         HE2 
     HIS(  7 A  92)         HD1 
     HIS(  7 A  93)         HD1 
     HIS(  7 A  95)         HD1 
     ASP(  7 A 101)         HD2 
     GLU(  7 A 104)         HE2 
     HIS(  7 A 111)         HD1 
     ASP(  7 A 115)         HD2 
     GLU(  7 A 116)         HE2 
     GLU(  7 A 120)         HE2 
     ASP(  7 A 121)         HD2 
     GLU(  8 A   8)         HE2 
     GLU(  8 A  11)         HE2 
     GLU(  8 A  15)         HE2 
     GLU(  8 A  18)         HE2 
     ASP(  8 A  22)         HD2 
     GLU(  8 A  26)         HE2 
     HIS(  8 A  32)         HD1 
     ASP(  8 A  35)         HD2 
     GLU(  8 A  38)         HE2 
     GLU(  8 A  45)         HE2 
     GLU(  8 A  46)         HE2 
     ASP(  8 A  48)         HD2 
     GLU(  8 A  49)         HE2 
     GLU(  8 A  56)         HE2 
     GLU(  8 A  60)         HE2 
     HIS(  8 A  71)         HD1 
     GLU(  8 A  73)         HE2 
     GLU(  8 A  76)         HE2 
     ASP(  8 A  80)         HD2 
     GLU(  8 A  84)         HE2 
     HIS(  8 A  92)         HD1 
     HIS(  8 A  93)         HD1 
     HIS(  8 A  95)         HD1 
     ASP(  8 A 101)         HD2 
     GLU(  8 A 104)         HE2 
     HIS(  8 A 111)         HD1 
     ASP(  8 A 115)         HD2 
     GLU(  8 A 116)         HE2 
     GLU(  8 A 120)         HE2 
     ASP(  8 A 121)         HD2 
     GLU(  9 A   8)         HE2 
     GLU(  9 A  11)         HE2 
     GLU(  9 A  15)         HE2 
     GLU(  9 A  18)         HE2 
     ASP(  9 A  22)         HD2 
     GLU(  9 A  26)         HE2 
     HIS(  9 A  32)         HD1 
     ASP(  9 A  35)         HD2 
     GLU(  9 A  38)         HE2 
     GLU(  9 A  45)         HE2 
     GLU(  9 A  46)         HE2 
     ASP(  9 A  48)         HD2 
     GLU(  9 A  49)         HE2 
     GLU(  9 A  56)         HE2 
     GLU(  9 A  60)         HE2 
     HIS(  9 A  71)         HD1 
     GLU(  9 A  73)         HE2 
     GLU(  9 A  76)         HE2 
     ASP(  9 A  80)         HD2 
     GLU(  9 A  84)         HE2 
     HIS(  9 A  92)         HD1 
     HIS(  9 A  93)         HD1 
     HIS(  9 A  95)         HD1 
     ASP(  9 A 101)         HD2 
     GLU(  9 A 104)         HE2 
     HIS(  9 A 111)         HD1 
     ASP(  9 A 115)         HD2 
     GLU(  9 A 116)         HE2 
     GLU(  9 A 120)         HE2 
     ASP(  9 A 121)         HD2 
     GLU( 10 A   8)         HE2 
     GLU( 10 A  11)         HE2 
     GLU( 10 A  15)         HE2 
     GLU( 10 A  18)         HE2 
     ASP( 10 A  22)         HD2 
     GLU( 10 A  26)         HE2 
     HIS( 10 A  32)         HD1 
     ASP( 10 A  35)         HD2 
     GLU( 10 A  38)         HE2 
     GLU( 10 A  45)         HE2 
     GLU( 10 A  46)         HE2 
     ASP( 10 A  48)         HD2 
     GLU( 10 A  49)         HE2 
     GLU( 10 A  56)         HE2 
     GLU( 10 A  60)         HE2 
     HIS( 10 A  71)         HD1 
     GLU( 10 A  73)         HE2 
     GLU( 10 A  76)         HE2 
     ASP( 10 A  80)         HD2 
     GLU( 10 A  84)         HE2 
     HIS( 10 A  92)         HD1 
     HIS( 10 A  93)         HD1 
     HIS( 10 A  95)         HD1 
     ASP( 10 A 101)         HD2 
     GLU( 10 A 104)         HE2 
     HIS( 10 A 111)         HD1 
     ASP( 10 A 115)         HD2 
     GLU( 10 A 116)         HE2 
     GLU( 10 A 120)         HE2 
     ASP( 10 A 121)         HD2 
     GLU( 11 A   8)         HE2 
     GLU( 11 A  11)         HE2 
     GLU( 11 A  15)         HE2 
     GLU( 11 A  18)         HE2 
     ASP( 11 A  22)         HD2 
     GLU( 11 A  26)         HE2 
     HIS( 11 A  32)         HD1 
     ASP( 11 A  35)         HD2 
     GLU( 11 A  38)         HE2 
     GLU( 11 A  45)         HE2 
     GLU( 11 A  46)         HE2 
     ASP( 11 A  48)         HD2 
     GLU( 11 A  49)         HE2 
     GLU( 11 A  56)         HE2 
     GLU( 11 A  60)         HE2 
     HIS( 11 A  71)         HD1 
     GLU( 11 A  73)         HE2 
     GLU( 11 A  76)         HE2 
     ASP( 11 A  80)         HD2 
     GLU( 11 A  84)         HE2 
     HIS( 11 A  92)         HD1 
     HIS( 11 A  93)         HD1 
     HIS( 11 A  95)         HD1 
     ASP( 11 A 101)         HD2 
     GLU( 11 A 104)         HE2 
     HIS( 11 A 111)         HD1 
     ASP( 11 A 115)         HD2 
     GLU( 11 A 116)         HE2 
     GLU( 11 A 120)         HE2 
     ASP( 11 A 121)         HD2 
     GLU( 12 A   8)         HE2 
     GLU( 12 A  11)         HE2 
     GLU( 12 A  15)         HE2 
     GLU( 12 A  18)         HE2 
     ASP( 12 A  22)         HD2 
     GLU( 12 A  26)         HE2 
     HIS( 12 A  32)         HD1 
     ASP( 12 A  35)         HD2 
     GLU( 12 A  38)         HE2 
     GLU( 12 A  45)         HE2 
     GLU( 12 A  46)         HE2 
     ASP( 12 A  48)         HD2 
     GLU( 12 A  49)         HE2 
     GLU( 12 A  56)         HE2 
     GLU( 12 A  60)         HE2 
     HIS( 12 A  71)         HD1 
     GLU( 12 A  73)         HE2 
     GLU( 12 A  76)         HE2 
     ASP( 12 A  80)         HD2 
     GLU( 12 A  84)         HE2 
     HIS( 12 A  92)         HD1 
     HIS( 12 A  93)         HD1 
     HIS( 12 A  95)         HD1 
     ASP( 12 A 101)         HD2 
     GLU( 12 A 104)         HE2 
     HIS( 12 A 111)         HD1 
     ASP( 12 A 115)         HD2 
     GLU( 12 A 116)         HE2 
     GLU( 12 A 120)         HE2 
     ASP( 12 A 121)         HD2 
     GLU( 13 A   8)         HE2 
     GLU( 13 A  11)         HE2 
     GLU( 13 A  15)         HE2 
     GLU( 13 A  18)         HE2 
     ASP( 13 A  22)         HD2 
     GLU( 13 A  26)         HE2 
     HIS( 13 A  32)         HD1 
     ASP( 13 A  35)         HD2 
     GLU( 13 A  38)         HE2 
     GLU( 13 A  45)         HE2 
     GLU( 13 A  46)         HE2 
     ASP( 13 A  48)         HD2 
     GLU( 13 A  49)         HE2 
     GLU( 13 A  56)         HE2 
     GLU( 13 A  60)         HE2 
     HIS( 13 A  71)         HD1 
     GLU( 13 A  73)         HE2 
     GLU( 13 A  76)         HE2 
     ASP( 13 A  80)         HD2 
     GLU( 13 A  84)         HE2 
     HIS( 13 A  92)         HD1 
     HIS( 13 A  93)         HD1 
     HIS( 13 A  95)         HD1 
     ASP( 13 A 101)         HD2 
     GLU( 13 A 104)         HE2 
     HIS( 13 A 111)         HD1 
     ASP( 13 A 115)         HD2 
     GLU( 13 A 116)         HE2 
     GLU( 13 A 120)         HE2 
     ASP( 13 A 121)         HD2 
     GLU( 14 A   8)         HE2 
     GLU( 14 A  11)         HE2 
     GLU( 14 A  15)         HE2 
     GLU( 14 A  18)         HE2 
     ASP( 14 A  22)         HD2 
     GLU( 14 A  26)         HE2 
     HIS( 14 A  32)         HD1 
     ASP( 14 A  35)         HD2 
     GLU( 14 A  38)         HE2 
     GLU( 14 A  45)         HE2 
     GLU( 14 A  46)         HE2 
     ASP( 14 A  48)         HD2 
     GLU( 14 A  49)         HE2 
     GLU( 14 A  56)         HE2 
     GLU( 14 A  60)         HE2 
     HIS( 14 A  71)         HD1 
     GLU( 14 A  73)         HE2 
     GLU( 14 A  76)         HE2 
     ASP( 14 A  80)         HD2 
     GLU( 14 A  84)         HE2 
     HIS( 14 A  92)         HD1 
     HIS( 14 A  93)         HD1 
     HIS( 14 A  95)         HD1 
     ASP( 14 A 101)         HD2 
     GLU( 14 A 104)         HE2 
     HIS( 14 A 111)         HD1 
     ASP( 14 A 115)         HD2 
     GLU( 14 A 116)         HE2 
     GLU( 14 A 120)         HE2 
     ASP( 14 A 121)         HD2 
     GLU( 15 A   8)         HE2 
     GLU( 15 A  11)         HE2 
     GLU( 15 A  15)         HE2 
     GLU( 15 A  18)         HE2 
     ASP( 15 A  22)         HD2 
     GLU( 15 A  26)         HE2 
     HIS( 15 A  32)         HD1 
     ASP( 15 A  35)         HD2 
     GLU( 15 A  38)         HE2 
     GLU( 15 A  45)         HE2 
     GLU( 15 A  46)         HE2 
     ASP( 15 A  48)         HD2 
     GLU( 15 A  49)         HE2 
     GLU( 15 A  56)         HE2 
     GLU( 15 A  60)         HE2 
     HIS( 15 A  71)         HD1 
     GLU( 15 A  73)         HE2 
     GLU( 15 A  76)         HE2 
     ASP( 15 A  80)         HD2 
     GLU( 15 A  84)         HE2 
     HIS( 15 A  92)         HD1 
     HIS( 15 A  93)         HD1 
     HIS( 15 A  95)         HD1 
     ASP( 15 A 101)         HD2 
     GLU( 15 A 104)         HE2 
     HIS( 15 A 111)         HD1 
     ASP( 15 A 115)         HD2 
     GLU( 15 A 116)         HE2 
     GLU( 15 A 120)         HE2 
     ASP( 15 A 121)         HD2 
     GLU( 16 A   8)         HE2 
     GLU( 16 A  11)         HE2 
     GLU( 16 A  15)         HE2 
     GLU( 16 A  18)         HE2 
     ASP( 16 A  22)         HD2 
     GLU( 16 A  26)         HE2 
     HIS( 16 A  32)         HD1 
     ASP( 16 A  35)         HD2 
     GLU( 16 A  38)         HE2 
     GLU( 16 A  45)         HE2 
     GLU( 16 A  46)         HE2 
     ASP( 16 A  48)         HD2 
     GLU( 16 A  49)         HE2 
     GLU( 16 A  56)         HE2 
     GLU( 16 A  60)         HE2 
     HIS( 16 A  71)         HD1 
     GLU( 16 A  73)         HE2 
     GLU( 16 A  76)         HE2 
     ASP( 16 A  80)         HD2 
     GLU( 16 A  84)         HE2 
     HIS( 16 A  92)         HD1 
     HIS( 16 A  93)         HD1 
     HIS( 16 A  95)         HD1 
     ASP( 16 A 101)         HD2 
     GLU( 16 A 104)         HE2 
     HIS( 16 A 111)         HD1 
     ASP( 16 A 115)         HD2 
     GLU( 16 A 116)         HE2 
     GLU( 16 A 120)         HE2 
     ASP( 16 A 121)         HD2 
     GLU( 17 A   8)         HE2 
     GLU( 17 A  11)         HE2 
     GLU( 17 A  15)         HE2 
     GLU( 17 A  18)         HE2 
     ASP( 17 A  22)         HD2 
     GLU( 17 A  26)         HE2 
     HIS( 17 A  32)         HD1 
     ASP( 17 A  35)         HD2 
     GLU( 17 A  38)         HE2 
     GLU( 17 A  45)         HE2 
     GLU( 17 A  46)         HE2 
     ASP( 17 A  48)         HD2 
     GLU( 17 A  49)         HE2 
     GLU( 17 A  56)         HE2 
     GLU( 17 A  60)         HE2 
     HIS( 17 A  71)         HD1 
     GLU( 17 A  73)         HE2 
     GLU( 17 A  76)         HE2 
     ASP( 17 A  80)         HD2 
     GLU( 17 A  84)         HE2 
     HIS( 17 A  92)         HD1 
     HIS( 17 A  93)         HD1 
     HIS( 17 A  95)         HD1 
     ASP( 17 A 101)         HD2 
     GLU( 17 A 104)         HE2 
     HIS( 17 A 111)         HD1 
     ASP( 17 A 115)         HD2 
     GLU( 17 A 116)         HE2 
     GLU( 17 A 120)         HE2 
     ASP( 17 A 121)         HD2 
     GLU( 18 A   8)         HE2 
     GLU( 18 A  11)         HE2 
     GLU( 18 A  15)         HE2 
     GLU( 18 A  18)         HE2 
     ASP( 18 A  22)         HD2 
     GLU( 18 A  26)         HE2 
     HIS( 18 A  32)         HD1 
     ASP( 18 A  35)         HD2 
     GLU( 18 A  38)         HE2 
     GLU( 18 A  45)         HE2 
     GLU( 18 A  46)         HE2 
     ASP( 18 A  48)         HD2 
     GLU( 18 A  49)         HE2 
     GLU( 18 A  56)         HE2 
     GLU( 18 A  60)         HE2 
     HIS( 18 A  71)         HD1 
     GLU( 18 A  73)         HE2 
     GLU( 18 A  76)         HE2 
     ASP( 18 A  80)         HD2 
     GLU( 18 A  84)         HE2 
     HIS( 18 A  92)         HD1 
     HIS( 18 A  93)         HD1 
     HIS( 18 A  95)         HD1 
     ASP( 18 A 101)         HD2 
     GLU( 18 A 104)         HE2 
     HIS( 18 A 111)         HD1 
     ASP( 18 A 115)         HD2 
     GLU( 18 A 116)         HE2 
     GLU( 18 A 120)         HE2 
     ASP( 18 A 121)         HD2 
     GLU( 19 A   8)         HE2 
     GLU( 19 A  11)         HE2 
     GLU( 19 A  15)         HE2 
     GLU( 19 A  18)         HE2 
     ASP( 19 A  22)         HD2 
     GLU( 19 A  26)         HE2 
     HIS( 19 A  32)         HD1 
     ASP( 19 A  35)         HD2 
     GLU( 19 A  38)         HE2 
     GLU( 19 A  45)         HE2 
     GLU( 19 A  46)         HE2 
     ASP( 19 A  48)         HD2 
     GLU( 19 A  49)         HE2 
     GLU( 19 A  56)         HE2 
     GLU( 19 A  60)         HE2 
     HIS( 19 A  71)         HD1 
     GLU( 19 A  73)         HE2 
     GLU( 19 A  76)         HE2 
     ASP( 19 A  80)         HD2 
     GLU( 19 A  84)         HE2 
     HIS( 19 A  92)         HD1 
     HIS( 19 A  93)         HD1 
     HIS( 19 A  95)         HD1 
     ASP( 19 A 101)         HD2 
     GLU( 19 A 104)         HE2 
     HIS( 19 A 111)         HD1 
     ASP( 19 A 115)         HD2 
     GLU( 19 A 116)         HE2 
     GLU( 19 A 120)         HE2 
     ASP( 19 A 121)         HD2 
     GLU( 20 A   8)         HE2 
     GLU( 20 A  11)         HE2 
     GLU( 20 A  15)         HE2 
     GLU( 20 A  18)         HE2 
     ASP( 20 A  22)         HD2 
     GLU( 20 A  26)         HE2 
     HIS( 20 A  32)         HD1 
     ASP( 20 A  35)         HD2 
     GLU( 20 A  38)         HE2 
     GLU( 20 A  45)         HE2 
     GLU( 20 A  46)         HE2 
     ASP( 20 A  48)         HD2 
     GLU( 20 A  49)         HE2 
     GLU( 20 A  56)         HE2 
     GLU( 20 A  60)         HE2 
     HIS( 20 A  71)         HD1 
     GLU( 20 A  73)         HE2 
     GLU( 20 A  76)         HE2 
     ASP( 20 A  80)         HD2 
     GLU( 20 A  84)         HE2 
     HIS( 20 A  92)         HD1 
     HIS( 20 A  93)         HD1 
     HIS( 20 A  95)         HD1 
     ASP( 20 A 101)         HD2 
     GLU( 20 A 104)         HE2 
     HIS( 20 A 111)         HD1 
     ASP( 20 A 115)         HD2 
     GLU( 20 A 116)         HE2 
     GLU( 20 A 120)         HE2 
     ASP( 20 A 121)         HD2 
==> The following residues have extra atoms:                         
    
     RES MOD#C SEQ          ATOMS
    
     ARG(  1 A 123)          O2 
     ARG(  2 A 123)          O2 
     ARG(  3 A 123)          O2 
     ARG(  4 A 123)          O2 
     ARG(  5 A 123)          O2 
     ARG(  6 A 123)          O2 
     ARG(  7 A 123)          O2 
     ARG(  8 A 123)          O2 
     ARG(  9 A 123)          O2 
     ARG( 10 A 123)          O2 
     ARG( 11 A 123)          O2 
     ARG( 12 A 123)          O2 
     ARG( 13 A 123)          O2 
     ARG( 14 A 123)          O2 
     ARG( 15 A 123)          O2 
     ARG( 16 A 123)          O2 
     ARG( 17 A 123)          O2 
     ARG( 18 A 123)          O2 
     ARG( 19 A 123)          O2 
     ARG( 20 A 123)          O2 


SR213_R3Cons_em_bcr3.pdb: Missing KEYWDS records

SR213_R3Cons_em_bcr3.pdb: Missing TITLE record