Detailed results of PSR293_R3Cons_em_bcr3 by PSVS

Output from PDBStat

Constraints analysis

table of NOE constraints


# -------------- SUMMARY OF RESTRAINTS  --------------- 
# TOTAL NUMBER OF NOE RESTRAINTS            :  1823
#      INTRA-RESIDUE RESTRAINTS   (I=J)     :   419
#      SEQUENTIAL    RESTRAINTS   (I-J)=1   :   481
#          BACKBONE-BACKBONE                :       117
#          BACKBONE-SIDE CHAIN              :        72
#          SIDE CHAIN-SIDE CHAIN            :       292
#      MEDIUM RANGE  RESTRAINTS  1<(I-J)<5  :   370
#          BACKBONE-BACKBONE                :        73
#          BACKBONE-SIDE CHAIN              :        86
#          SIDE CHAIN-SIDE CHAIN            :       211
#      LONG  RANGE   RESTRAINTS   (I-J)>=5  :   553
# TOTAL HYDROGEN BOND RESTRAINTS            :     0
#      LONG RANGE H-BOND RESTR.   (I-J)>=5  :     0
# DISULFIDE RESTRAINTS                      :     0
# INTRA-CHAIN RESTRAINTS                    :  1823
# INTER-CHAIN RESTRAINTS                    :     0
# AMBIGUOUS RESTRAINTS                      :     0
# ----------------------------------------------------- 
# ----------------------------------------------------- 
# ----------------------------------------------------- 


# RES   #    INTRA  INTER   seq    med    lng   InterChain
 MET     1      4   20.5    2.0    3.5   15.0    0.0
 ASN     2      0    7.0    3.0    2.0    2.0    0.0
 ARG     3      6   13.0    2.5    3.5    7.0    0.0
 GLN     4      6    9.5    4.0    5.5    0.0    0.0
 GLN     5      4   11.0    4.5    6.5    0.0    0.0
 PHE     6      4   26.0    4.5    4.0   17.5    0.0
 ILE     7      8   24.5    6.0    9.0    9.5    0.0
 ASP     8      2   10.0    4.5    5.5    0.0    0.0
 TYR     9      4   11.5    3.0    3.5    5.0    0.0
 ALA    10      1   16.0    4.5    8.0    3.5    0.0
 GLN    11      7   14.0    5.5    7.5    1.0    0.0
 LYS    12      9    8.0    5.0    3.0    0.0    0.0
 LYS    13     10    7.5    4.5    3.0    0.0    0.0
 TYR    14      4    7.5    3.0    3.5    1.0    0.0
 ASP    15      1    5.5    2.0    3.5    0.0    0.0
 THR    16      3   11.5    4.5    1.5    5.5    0.0
 LYS    17      1    6.5    5.5    0.0    1.0    0.0
 PRO    18      0   12.0    6.0    1.0    5.0    0.0
 ASP    19      0    8.5    4.5    0.0    4.0    0.0
 HIS    20      0    3.5    2.5    0.0    1.0    0.0
 PRO    21      0    5.5    3.0    0.0    2.5    0.0
 TRP    22      2    7.5    4.5    2.5    0.5    0.0
 GLU    23      5   13.0   13.0    0.0    0.0    0.0
 LYS    24      5   14.5   13.5    1.0    0.0    0.0
 PHE    25      4    9.0    6.0    3.0    0.0    0.0
 PRO    26      0    4.5    3.5    1.0    0.0    0.0
 ASP    27      1    3.5    3.0    0.5    0.0    0.0
 TYR    28      2    8.5    3.5    1.0    4.0    0.0
 ALA    29      0   11.5    3.5    1.5    6.5    0.0
 VAL    30      5   20.0    4.0    2.0   14.0    0.0
 PHE    31      2   22.0    3.5    1.5   17.0    0.0
 ARG    32      3    6.5    2.5    2.0    2.0    0.0
 HIS    33      0    4.5    3.0    1.0    0.5    0.0
 SER    34      1    4.5    4.0    0.5    0.0    0.0
 ASP    35      1    5.0    3.0    1.0    1.0    0.0
 ASN    36      0   11.0    1.5    0.5    9.0    0.0
 ASP    37      1    2.0    1.0    1.0    0.0    0.0
 LYS    38      4    1.5    1.0    0.0    0.5    0.0
 TRP    39      2    1.0    0.5    0.0    0.5    0.0
 TYR    40      0    1.5    0.5    0.0    1.0    0.0
 ALA    41      0    8.0    1.5    0.0    6.5    0.0
 LEU    42      8   12.5    2.5    4.0    6.0    0.0
 LEU    43      7   31.0    4.0    0.0   27.0    0.0
 MET    44      4   16.5    4.0    5.5    7.0    0.0
 ASP    45      0    7.0    3.0    0.0    4.0    0.0
 ILE    46      6   19.5    6.0    3.0   10.5    0.0
 PRO    47      0   14.0    6.5    5.5    2.0    0.0
 ALA    48      1   24.0    3.5    3.5   17.0    0.0
 GLU    49      2    9.5    3.5    5.5    0.5    0.0
 LYS    50      3   12.5    6.0    5.0    1.5    0.0
 ILE    51     10   26.5    7.0    7.0   12.5    0.0
 GLY    52      0    5.0    3.5    1.5    0.0    0.0
 ILE    53     12   24.5    5.0   10.0    9.5    0.0
 ASN    54      3    6.5    5.5    0.0    1.0    0.0
 GLY    55      1    6.0    2.0    3.0    1.0    0.0
 ASP    56      1    5.5    3.0    0.5    2.0    0.0
 LYS    57      4   10.5    4.5    2.5    3.5    0.0
 ARG    58      4   10.0    6.0    0.0    4.0    0.0
 VAL    59      4   21.0    6.5    2.0   12.5    0.0
 ASP    60      2   14.0    6.0    0.5    7.5    0.0
 VAL    61      3   22.5    5.5    0.5   16.5    0.0
 ILE    62      5   21.5    2.5    1.5   17.5    0.0
 ASP    63      0    0.0    0.0    0.0    0.0    0.0
 LEU    64      4   13.5    1.0    3.0    9.5    0.0
 LYS    65      5   15.0    5.5    0.0    9.5    0.0
 VAL    66      4   26.0    7.5    5.0   13.5    0.0
 GLN    67     11   20.5    4.5   10.0    6.0    0.0
 PRO    68      0    5.5    3.0    2.5    0.0    0.0
 GLU    69      3    7.5    4.5    3.0    0.0    0.0
 LEU    70      8   19.0    6.0   13.0    0.0    0.0
 VAL    71      5   24.5    5.5   11.5    7.5    0.0
 GLY    72      0    7.0    3.0    4.0    0.0    0.0
 SER    73      1    8.5    1.5    7.0    0.0    0.0
 LEU    74      8   18.0    3.5    6.5    8.0    0.0
 ARG    75     12   24.5    3.5    7.0   14.0    0.0
 LYS    76     17   11.5    5.5    6.0    0.0    0.0
 LYS    77      6   10.0    4.5    4.5    1.0    0.0
 PRO    78      0    3.5    1.5    1.0    1.0    0.0
 GLY    79      0    6.5    2.5    1.0    3.0    0.0
 ILE    80      9   18.0    4.0    4.0   10.0    0.0
 TYR    81      2   17.5    6.0    1.0   10.5    0.0
 PRO    82      0   15.0    3.0    1.0   11.0    0.0
 ALA    83      0    0.0    0.0    0.0    0.0    0.0
 TYR    84      1    5.0    0.0    0.0    5.0    0.0
 HIS    85      0    0.0    0.0    0.0    0.0    0.0
 MET    86      0    0.0    0.0    0.0    0.0    0.0
 ASN    87      0    2.0    0.5    1.5    0.0    0.0
 LYS    88      2    8.0    1.0    2.0    5.0    0.0
 GLU    89      3    8.0    5.0    0.5    2.5    0.0
 HIS    90      0    8.0    7.0    0.0    1.0    0.0
 TRP    91      1    7.5    4.0    1.5    2.0    0.0
 ILE    92      6   18.0    4.5    1.5   12.0    0.0
 THR    93      3    6.0    3.0    0.0    3.0    0.0
 VAL    94      1    7.0    2.0    0.5    4.5    0.0
 LEU    95     10   22.5    3.5    6.0   13.0    0.0
 LEU    96      5   25.5    3.0    0.5   22.0    0.0
 ASN    97      3    5.0    2.5    2.0    0.5    0.0
 GLY    98      0    4.0    1.5    2.5    0.0    0.0
 PRO    99      0    6.0    2.5    1.5    2.0    0.0
 LEU   100      9   18.5    7.0    3.5    8.0    0.0
 GLY   101      0   11.5    8.0    3.5    0.0    0.0
 ALA   102      1   13.0    5.5    5.5    2.0    0.0
 LYS   103      6    6.5    4.0    2.5    0.0    0.0
 GLU   104      4   12.0    3.5    8.5    0.0    0.0
 ILE   105     10   29.0    4.5   13.0   11.5    0.0
 HIS   106      3   11.5    3.5    6.5    1.5    0.0
 SER   107      1    9.5    3.5    6.0    0.0    0.0
 LEU   108      7   14.5    6.0    5.5    3.0    0.0
 ILE   109     10   33.5    6.5   12.5   14.5    0.0
 GLU   110      3   12.0    5.0    7.0    0.0    0.0
 ASP   111      1    7.5    3.5    4.0    0.0    0.0
 SER   112      2   13.5    2.0    6.5    5.0    0.0
 PHE   113      2    7.5    3.0    4.5    0.0    0.0
 GLN   114      3    7.5    3.5    4.0    0.0    0.0
 LEU   115     11   21.0    5.0    4.0   12.0    0.0
 THR   116      3   10.5    6.0    2.5    2.0    0.0
 ARG   117      8    8.5    4.5    3.5    0.5    0.0
 LEU   118      8   15.0    5.5    0.5    9.0    0.0
 GLU   119      5    7.5    7.0    0.0    0.5    0.0
 HIS   120      0    5.5    5.0    0.5    0.0    0.0
 HIS   121      0    2.0    2.0    0.0    0.0    0.0
 HIS   122      0    2.0    2.0    0.0    0.0    0.0
 HIS   123      0    1.5    1.5    0.0    0.0    0.0
 HIS   124      0    0.5    0.5    0.0    0.0    0.0
 HIS   125      0    0.0    0.0    0.0    0.0    0.0
# TOTAL        419 1404.0  481.0  370.0  553.0    0.0

# TOTAL NUMBER OF RESTRAINTS  (CHECKING): 1823.0

List of conformationally-resticting NOE constraints

 assign ((resid   1 and name HA   ))   ( (resid   1 and name HE*  )) assign ((resid   1 and name HA   ))   ( (resid   1 and name HG*  )) assign ((resid   1 and name HA   ))   ( (resid   2 and name HN   )) assign ((resid   1 and name HA   ))   ( (resid   5 and name HB*  )) assign ((resid   1 and name HB*  ))   ( (resid   1 and name HE*  )) assign ((resid   1 and name HB*  ))   ( (resid   2 and name HN   )) assign ((resid   1 and name HB*  ))   ( (resid  96 and name HB*  )) assign ((resid   1 and name HB*  ))   ( (resid  96 and name HD2* )) assign ((resid   1 and name HB*  ))   ( (resid 102 and name HB*  )) assign ((resid   1 and name HB1  ))   ( (resid 105 and name HD1* )) assign ((resid   1 and name HB2  ))   ( (resid 105 and name HD1* )) assign ((resid   1 and name HE*  ))   ( (resid   5 and name HB*  )) assign ((resid   1 and name HE*  ))   ( (resid   6 and name HA   )) assign ((resid   1 and name HE*  ))   ( (resid   6 and name HB*  )) assign ((resid   1 and name HE*  ))   ( (resid   6 and name HD*  )) assign ((resid   1 and name HE*  ))   ( (resid   6 and name HN   )) assign ((resid   1 and name HE*  ))   ( (resid   9 and name HB*  )) assign ((resid   1 and name HE*  ))   ( (resid   9 and name HD*  )) assign ((resid   1 and name HE*  ))   ( (resid  62 and name HD1* )) assign ((resid   1 and name HE*  ))   ( (resid  96 and name HD2* )) assign ((resid   1 and name HE*  ))   ( (resid 102 and name HA   )) assign ((resid   1 and name HE*  ))   ( (resid 102 and name HB*  )) assign ((resid   1 and name HE*  ))   ( (resid 105 and name HD1* )) assign ((resid   1 and name HE*  ))   ( (resid 105 and name HG1* )) assign ((resid   1 and name HE*  ))   ( (resid 105 and name HG2* )) assign ((resid   1 and name HE*  ))   ( (resid 106 and name HD2  )) assign ((resid   1 and name HE*  ))   ( (resid 106 and name HN   )) assign ((resid   1 and name HE*  ))   ( (resid 109 and name HD1* )) assign ((resid   1 and name HE*  ))   ( (resid 109 and name HG1* )) assign ((resid   1 and name HG*  ))   ( (resid   1 and name HE*  )) assign ((resid   1 and name HG*  ))   ( (resid   5 and name HB*  )) assign ((resid   1 and name HG*  ))   ( (resid   6 and name HN   )) assign ((resid   1 and name HG*  ))   ( (resid  96 and name HB*  )) assign ((resid   1 and name HG*  ))   ( (resid  96 and name HD1* )) assign ((resid   1 and name HG*  ))   ( (resid  96 and name HD2* )) assign ((resid   1 and name HG*  ))   ( (resid 102 and name HB*  )) assign ((resid   1 and name HG*  ))   ( (resid 105 and name HG2* )) assign ((resid   1 and name HG1  ))   ( (resid   2 and name HN   )) assign ((resid   1 and name HG1  ))   ( (resid   5 and name HB1  )) assign ((resid   1 and name HG1  ))   ( (resid   5 and name HB2  )) assign ((resid   1 and name HG1  ))   ( (resid 105 and name HD1* )) assign ((resid   1 and name HG2  ))   ( (resid   2 and name HN   )) assign ((resid   1 and name HG2  ))   ( (resid   5 and name HB1  )) assign ((resid   1 and name HG2  ))   ( (resid   5 and name HB2  )) assign ((resid   1 and name HG2  ))   ( (resid 105 and name HD1* )) assign ((resid   2 and name HA   ))   ( (resid   3 and name HN   )) assign ((resid   2 and name HA   ))   ( (resid  96 and name HB*  )) assign ((resid   2 and name HA   ))   ( (resid  96 and name HD1* )) assign ((resid   2 and name HA   ))   ( (resid  96 and name HD2* )) assign ((resid   2 and name HB*  ))   ( (resid   3 and name HN   )) assign ((resid   2 and name HD2* ))   ( (resid   5 and name HG*  )) assign ((resid   2 and name HN   ))   ( (resid   5 and name HB*  )) assign ((resid   2 and name HN   ))   ( (resid   5 and name HG1  )) assign ((resid   2 and name HN   ))   ( (resid   5 and name HG2  )) assign ((resid   2 and name HN   ))   ( (resid  96 and name HD2* )) assign ((resid   3 and name HA   ))   ( (resid   3 and name HD*  )) assign ((resid   3 and name HA   ))   ( (resid   6 and name HB1  )) assign ((resid   3 and name HA   ))   ( (resid   6 and name HB2  )) assign ((resid   3 and name HA   ))   ( (resid  43 and name HD1* )) assign ((resid   3 and name HA   ))   ( (resid  43 and name HD2* )) assign ((resid   3 and name HA   ))   ( (resid  96 and name HD1* )) assign ((resid   3 and name HA   ))   ( (resid  96 and name HD2* )) assign ((resid   3 and name HB*  ))   ( (resid   3 and name HD*  )) assign ((resid   3 and name HB*  ))   ( (resid   3 and name HE   )) assign ((resid   3 and name HB*  ))   ( (resid   4 and name HN   )) assign ((resid   3 and name HB*  ))   ( (resid  96 and name HD1* )) assign ((resid   3 and name HB2  ))   ( (resid  43 and name HD1* )) assign ((resid   3 and name HD*  ))   ( (resid  43 and name HD1* )) assign ((resid   3 and name HD*  ))   ( (resid  43 and name HD2* )) assign ((resid   3 and name HD1  ))   ( (resid   7 and name HD1* )) assign ((resid   3 and name HD2  ))   ( (resid   7 and name HD1* )) assign ((resid   3 and name HE   ))   ( (resid   7 and name HD1* )) assign ((resid   3 and name HE   ))   ( (resid  43 and name HD1* )) assign ((resid   3 and name HE   ))   ( (resid  43 and name HD2* )) assign ((resid   3 and name HG*  ))   ( (resid   4 and name HN   )) assign ((resid   3 and name HG*  ))   ( (resid  43 and name HD2* )) assign ((resid   3 and name HG1  ))   ( (resid   7 and name HD1* )) assign ((resid   3 and name HG1  ))   ( (resid  43 and name HD1* )) assign ((resid   3 and name HG2  ))   ( (resid   7 and name HD1* )) assign ((resid   3 and name HG2  ))   ( (resid  43 and name HD1* )) assign ((resid   3 and name HN   ))   ( (resid   3 and name HB*  )) assign ((resid   3 and name HN   ))   ( (resid   3 and name HG1  )) assign ((resid   3 and name HN   ))   ( (resid   3 and name HG2  )) assign ((resid   3 and name HN   ))   ( (resid   4 and name HN   )) assign ((resid   3 and name HN   ))   ( (resid  96 and name HD1* )) assign ((resid   4 and name HA   ))   ( (resid   4 and name HE2* )) assign ((resid   4 and name HA   ))   ( (resid   7 and name HB   )) assign ((resid   4 and name HA   ))   ( (resid   7 and name HD1* )) assign ((resid   4 and name HA   ))   ( (resid   7 and name HG2* )) assign ((resid   4 and name HA   ))   ( (resid   7 and name HN   )) assign ((resid   4 and name HA   ))   ( (resid   8 and name HN   )) assign ((resid   4 and name HB*  ))   ( (resid   4 and name HE2* )) assign ((resid   4 and name HB*  ))   ( (resid   5 and name HG*  )) assign ((resid   4 and name HB*  ))   ( (resid   5 and name HN   )) assign ((resid   4 and name HE2* ))   ( (resid   7 and name HG1* )) assign ((resid   4 and name HE2* ))   ( (resid   7 and name HG2* )) assign ((resid   4 and name HE2* ))   ( (resid   8 and name HN   )) assign ((resid   4 and name HE21 ))   ( (resid   7 and name HB   )) assign ((resid   4 and name HE22 ))   ( (resid   7 and name HB   )) assign ((resid   4 and name HG*  ))   ( (resid   4 and name HE2* )) assign ((resid   4 and name HG*  ))   ( (resid   8 and name HN   )) assign ((resid   4 and name HG1  ))   ( (resid   5 and name HN   )) assign ((resid   4 and name HG2  ))   ( (resid   5 and name HN   )) assign ((resid   4 and name HN   ))   ( (resid   4 and name HB*  )) assign ((resid   4 and name HN   ))   ( (resid   4 and name HG1  )) assign ((resid   4 and name HN   ))   ( (resid   4 and name HG2  )) assign ((resid   4 and name HN   ))   ( (resid   5 and name HN   )) assign ((resid   5 and name HA   ))   ( (resid   5 and name HG*  )) assign ((resid   5 and name HA   ))   ( (resid   8 and name HB*  )) assign ((resid   5 and name HA   ))   ( (resid   8 and name HN   )) assign ((resid   5 and name HB1  ))   ( (resid   6 and name HN   )) assign ((resid   5 and name HB2  ))   ( (resid   6 and name HN   )) assign ((resid   5 and name HG*  ))   ( (resid   5 and name HE2* )) assign ((resid   5 and name HG*  ))   ( (resid   6 and name HN   )) assign ((resid   5 and name HN   ))   ( (resid   5 and name HB*  )) assign ((resid   5 and name HN   ))   ( (resid   5 and name HG*  )) assign ((resid   5 and name HN   ))   ( (resid   6 and name HN   )) assign ((resid   6 and name HA   ))   ( (resid   6 and name HD*  )) assign ((resid   6 and name HA   ))   ( (resid   9 and name HB*  )) assign ((resid   6 and name HA   ))   ( (resid   9 and name HN   )) assign ((resid   6 and name HA   ))   ( (resid  10 and name HB*  )) assign ((resid   6 and name HA   ))   ( (resid  10 and name HN   )) assign ((resid   6 and name HA   ))   ( (resid  43 and name HD1* )) assign ((resid   6 and name HA   ))   ( (resid 109 and name HD1* )) assign ((resid   6 and name HB*  ))   ( (resid   7 and name HN   )) assign ((resid   6 and name HB*  ))   ( (resid  96 and name HD2* )) assign ((resid   6 and name HB*  ))   ( (resid 109 and name HD1* )) assign ((resid   6 and name HB1  ))   ( (resid  96 and name HD1* )) assign ((resid   6 and name HB2  ))   ( (resid  96 and name HD1* )) assign ((resid   6 and name HD*  ))   ( (resid   7 and name HA   )) assign ((resid   6 and name HD*  ))   ( (resid   7 and name HD1* )) assign ((resid   6 and name HD*  ))   ( (resid   7 and name HN   )) assign ((resid   6 and name HD*  ))   ( (resid  10 and name HB*  )) assign ((resid   6 and name HD*  ))   ( (resid  29 and name HB*  )) assign ((resid   6 and name HD*  ))   ( (resid  43 and name HB*  )) assign ((resid   6 and name HD*  ))   ( (resid  43 and name HD1* )) assign ((resid   6 and name HD*  ))   ( (resid  43 and name HD2* )) assign ((resid   6 and name HD*  ))   ( (resid  62 and name HD1* )) assign ((resid   6 and name HD*  ))   ( (resid  62 and name HG2* )) assign ((resid   6 and name HD*  ))   ( (resid  96 and name HD2* )) assign ((resid   6 and name HD*  ))   ( (resid 105 and name HG2* )) assign ((resid   6 and name HD*  ))   ( (resid 109 and name HG2* )) assign ((resid   6 and name HE*  ))   ( (resid  41 and name HB*  )) assign ((resid   6 and name HE*  ))   ( (resid  43 and name HD1* )) assign ((resid   6 and name HE*  ))   ( (resid  43 and name HD2* )) assign ((resid   6 and name HE*  ))   ( (resid  62 and name HD1* )) assign ((resid   6 and name HE*  ))   ( (resid  62 and name HG2* )) assign ((resid   6 and name HE*  ))   ( (resid 105 and name HG2* )) assign ((resid   6 and name HE*  ))   ( (resid 109 and name HD1* )) assign ((resid   6 and name HE*  ))   ( (resid 109 and name HG1* )) assign ((resid   6 and name HN   ))   ( (resid   6 and name HB1  )) assign ((resid   6 and name HN   ))   ( (resid   6 and name HB2  )) assign ((resid   6 and name HN   ))   ( (resid   6 and name HD*  )) assign ((resid   6 and name HN   ))   ( (resid   7 and name HN   )) assign ((resid   6 and name HN   ))   ( (resid  43 and name HD1* )) assign ((resid   6 and name HN   ))   ( (resid  96 and name HD1* )) assign ((resid   6 and name HZ   ))   ( (resid  10 and name HB*  )) assign ((resid   6 and name HZ   ))   ( (resid  41 and name HB*  )) assign ((resid   6 and name HZ   ))   ( (resid  62 and name HG2* )) assign ((resid   6 and name HZ   ))   ( (resid  64 and name HD2* )) assign ((resid   6 and name HZ   ))   ( (resid 109 and name HD1* )) assign ((resid   6 and name HZ   ))   ( (resid 109 and name HG2* )) assign ((resid   7 and name HA   ))   ( (resid   7 and name HD1* )) assign ((resid   7 and name HA   ))   ( (resid   7 and name HG1* )) assign ((resid   7 and name HA   ))   ( (resid   7 and name HG2* )) assign ((resid   7 and name HA   ))   ( (resid  10 and name HB*  )) assign ((resid   7 and name HA   ))   ( (resid  10 and name HN   )) assign ((resid   7 and name HA   ))   ( (resid  31 and name HE*  )) assign ((resid   7 and name HA   ))   ( (resid  31 and name HZ   )) assign ((resid   7 and name HA   ))   ( (resid  43 and name HD1* )) assign ((resid   7 and name HB   ))   ( (resid   7 and name HD1* )) assign ((resid   7 and name HB   ))   ( (resid   8 and name HB*  )) assign ((resid   7 and name HB   ))   ( (resid   8 and name HN   )) assign ((resid   7 and name HD1* ))   ( (resid   8 and name HN   )) assign ((resid   7 and name HD1* ))   ( (resid  18 and name HD*  )) assign ((resid   7 and name HD1* ))   ( (resid  31 and name HD*  )) assign ((resid   7 and name 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(resid  12 and name HN   )) assign ((resid  11 and name HB1  ))   ( (resid  15 and name HA   )) assign ((resid  11 and name HB2  ))   ( (resid  11 and name HE22 )) assign ((resid  11 and name HB2  ))   ( (resid  12 and name HN   )) assign ((resid  11 and name HB2  ))   ( (resid  15 and name HA   )) assign ((resid  11 and name HE21 ))   ( (resid  15 and name HA   )) assign ((resid  11 and name HG*  ))   ( (resid  12 and name HN   )) assign ((resid  11 and name HG*  ))   ( (resid  15 and name HA   )) assign ((resid  11 and name HN   ))   ( (resid  11 and name HB1  )) assign ((resid  11 and name HN   ))   ( (resid  11 and name HB2  )) assign ((resid  11 and name HN   ))   ( (resid  12 and name HB2  )) assign ((resid  11 and name HN   ))   ( (resid  12 and name HN   )) assign ((resid  12 and name HA   ))   ( (resid  12 and name HD*  )) assign ((resid  12 and name HA   ))   ( (resid  12 and name HG*  )) assign ((resid  12 and name HA   ))   ( (resid  15 and name HN   )) assign ((resid  12 and name HB*  ))   ( (resid  12 and name HE*  )) assign ((resid  12 and name HB*  ))   ( (resid  12 and name HE1  )) assign ((resid  12 and name HB*  ))   ( (resid  12 and name HE2  )) assign ((resid  12 and name HB*  ))   ( (resid  13 and name HA   )) assign ((resid  12 and name HB1  ))   ( (resid  13 and name HN   )) assign ((resid  12 and name HB2  ))   ( (resid  13 and name HN   )) assign ((resid  12 and name HG*  ))   ( (resid  12 and name HE*  )) assign ((resid  12 and name HN   ))   ( (resid  12 and name HB1  )) assign ((resid  12 and name HN   ))   ( (resid  12 and name HB2  )) assign ((resid  12 and name HN   ))   ( (resid  12 and name HG*  )) assign ((resid  12 and name HN   ))   ( (resid  13 and name HN   )) assign ((resid  12 and name HN   ))   ( (resid  15 and name HN   )) assign ((resid  13 and name HA   ))   ( (resid  13 and name HD*  )) assign ((resid  13 and name HA   ))   ( (resid  13 and name HG*  )) assign ((resid  13 and name HB*  ))   ( (resid  14 and name HN   )) assign ((resid  13 and name HD*  ))   ( (resid  14 and name HE*  )) assign ((resid  13 and name HG*  ))   ( (resid  13 and name HE*  )) assign ((resid  13 and name HG1  ))   ( (resid  13 and name HE1  )) assign ((resid  13 and name HG1  ))   ( (resid  13 and name HE2  )) assign ((resid  13 and name HG1  ))   ( (resid  14 and name HE*  )) assign ((resid  13 and name HG2  ))   ( (resid  13 and name HE1  )) assign ((resid  13 and name HG2  ))   ( (resid  13 and name HE2  )) assign ((resid  13 and name HG2  ))   ( (resid  14 and name HE*  )) assign ((resid  13 and name HN   ))   ( (resid  13 and name HB1  )) assign ((resid  13 and name HN   ))   ( (resid  13 and name HB2  )) assign ((resid  13 and name HN   ))   ( (resid  13 and name HG*  )) assign ((resid  13 and name HN   ))   ( (resid  14 and name HN   )) assign ((resid  14 and name HA   ))   ( (resid  14 and name HD*  )) assign ((resid  14 and name HA   ))   ( (resid  14 and name HE*  )) assign ((resid  14 and name HB*  ))   ( (resid  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HG2* ))   ( (resid  17 and name HA   )) assign ((resid  16 and name HG2* ))   ( (resid  17 and name HN   )) assign ((resid  16 and name HG2* ))   ( (resid  18 and name HA   )) assign ((resid  16 and name HG2* ))   ( (resid  18 and name HD*  )) assign ((resid  16 and name HG2* ))   ( (resid  31 and name HA   )) assign ((resid  16 and name HG2* ))   ( (resid  31 and name HB*  )) assign ((resid  16 and name HG2* ))   ( (resid  31 and name HD*  )) assign ((resid  16 and name HG2* ))   ( (resid  31 and name HE*  )) assign ((resid  16 and name HG2* ))   ( (resid  32 and name HN   )) assign ((resid  16 and name HN   ))   ( (resid  16 and name HB   )) assign ((resid  16 and name HN   ))   ( (resid  16 and name HG2* )) assign ((resid  16 and name HN   ))   ( (resid  17 and name HN   )) assign ((resid  17 and name HA   ))   ( (resid  18 and name HB*  )) assign ((resid  17 and name HA   ))   ( (resid  18 and name HD*  )) assign ((resid  17 and name HA   ))   ( (resid  18 and name HG*  )) assign ((resid  17 and name HB*  ))   ( (resid  18 and name HD*  )) assign ((resid  17 and name HN   ))   ( (resid  17 and name HB*  )) assign ((resid  17 and name HN   ))   ( (resid  18 and name HD*  )) assign ((resid  18 and name HA   ))   ( (resid  19 and name HA   )) assign ((resid  18 and name HA   ))   ( (resid  19 and name HB*  )) assign ((resid  18 and name HA   ))   ( (resid  19 and name HN   )) assign ((resid  18 and name HA   ))   ( (resid  29 and name HB*  )) assign ((resid  18 and name HA   ))   ( (resid  31 and name HA   )) assign ((resid  18 and name HA   ))   ( (resid  31 and name HE*  )) assign ((resid  18 and name HB*  ))   ( (resid  19 and name HA   )) assign ((resid  18 and name HB*  ))   ( (resid  19 and name HB1  )) assign ((resid  18 and name HB*  ))   ( (resid  19 and name HB2  )) assign ((resid  18 and name HB*  ))   ( (resid  19 and name HN   )) assign ((resid  18 and name HB*  ))   ( (resid  31 and name HE*  )) assign ((resid  18 and name HB*  ))   ( (resid  31 and name HZ   )) assign ((resid  18 and name HB1  ))   ( (resid  30 and name HN   )) assign ((resid  18 and name HB2  ))   ( (resid  30 and name HN   )) assign ((resid  19 and name HA   ))   ( (resid  20 and name HN   )) assign ((resid  19 and name HB*  ))   ( (resid  20 and name HN   )) assign ((resid  19 and name HB*  ))   ( (resid  30 and name HB   )) assign ((resid  19 and name HB*  ))   ( (resid  30 and name HG2* )) assign ((resid  19 and name HB1  ))   ( (resid  30 and name HG1* )) assign ((resid  19 and name HB2  ))   ( (resid  30 and name HG1* )) assign ((resid  19 and name HN   ))   ( (resid  29 and name HB*  )) assign ((resid  19 and name HN   ))   ( (resid  30 and name HG1* )) assign ((resid  19 and name HN   ))   ( (resid  30 and name HG2* )) assign ((resid  19 and name HN   ))   ( (resid  30 and name HN   )) assign ((resid  20 and name HA   ))   ( (resid  21 and name HD1  )) assign ((resid  20 and name HA   ))   ( (resid  21 and name HD2  )) assign ((resid  20 and name HA   )) 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(resid  23 and name HB1  )) assign ((resid  23 and name HN   ))   ( (resid  23 and name HB2  )) assign ((resid  23 and name HN   ))   ( (resid  23 and name HG*  )) assign ((resid  23 and name HN   ))   ( (resid  24 and name HB*  )) assign ((resid  23 and name HN   ))   ( (resid  24 and name HG*  )) assign ((resid  23 and name HN   ))   ( (resid  24 and name HN   )) assign ((resid  24 and name HA   ))   ( (resid  24 and name HG*  )) assign ((resid  24 and name HA   ))   ( (resid  26 and name HD*  )) assign ((resid  24 and name HB1  ))   ( (resid  25 and name HN   )) assign ((resid  24 and name HB2  ))   ( (resid  25 and name HD*  )) assign ((resid  24 and name HB2  ))   ( (resid  25 and name HN   )) assign ((resid  24 and name HE*  ))   ( (resid  25 and name HE*  )) assign ((resid  24 and name HE1  ))   ( (resid  25 and name HE*  )) assign ((resid  24 and name HE2  ))   ( (resid  25 and name HE*  )) assign ((resid  24 and name HG*  ))   ( (resid  24 and name HE*  )) assign ((resid  24 and name HN   ))   ( (resid  24 and name HB1  )) assign ((resid  24 and name HN   ))   ( (resid  24 and name HB2  )) assign ((resid  24 and name HN   ))   ( (resid  24 and name HG*  )) assign ((resid  24 and name HN   ))   ( (resid  25 and name HN   )) assign ((resid  25 and name HA   ))   ( (resid  25 and name HD*  )) assign ((resid  25 and name HA   ))   ( (resid  26 and name HD*  )) assign ((resid  25 and name HA   ))   ( (resid  26 and name HG*  )) assign ((resid  25 and name HB*  ))   ( (resid  27 and name HN   )) assign ((resid  25 and name HB*  ))   ( (resid  28 and name HN   )) assign ((resid  25 and name HD*  ))   ( (resid  25 and name HZ   )) assign ((resid  25 and name HN   ))   ( (resid  25 and name HB*  )) assign ((resid  25 and name HN   ))   ( (resid  25 and name HD*  )) assign ((resid  25 and name HN   ))   ( (resid  26 and name HD1  )) assign ((resid  25 and name HN   ))   ( (resid  26 and name HD2  )) assign ((resid  25 and name HN   ))   ( (resid  26 and name HG*  )) assign ((resid  26 and name HB*  ))   ( (resid  28 and name HN   )) assign ((resid  26 and name HD*  ))   ( (resid  27 and name HN   )) assign ((resid  26 and name HG*  ))   ( (resid  27 and name HN   )) assign ((resid  27 and name HA   ))   ( (resid  28 and name HD*  )) assign ((resid  27 and name HA   ))   ( (resid  28 and name HN   )) assign ((resid  27 and name HN   ))   ( (resid  27 and name HB*  )) assign ((resid  27 and name HN   ))   ( (resid  28 and name HD*  )) assign ((resid  27 and name HN   ))   ( (resid  28 and name HN   )) assign ((resid  28 and name HA   ))   ( (resid  28 and name HD*  )) assign ((resid  28 and name HA   ))   ( (resid  29 and name HB*  )) assign ((resid  28 and name HA   ))   ( (resid  29 and name HN   )) assign ((resid  28 and name HA   ))   ( (resid  43 and name HD2* )) assign ((resid  28 and name HA   ))   ( (resid  44 and name HA   )) assign ((resid  28 and name HA   ))   ( (resid  44 and name HB*  )) assign ((resid  28 and name HA   ))   ( (resid  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and name HN   ))   ( (resid  38 and name HB*  )) assign ((resid  38 and name HN   ))   ( (resid  38 and name HD*  )) assign ((resid  38 and name HN   ))   ( (resid  39 and name HB*  )) assign ((resid  39 and name HA   ))   ( (resid  39 and name HD1  )) assign ((resid  39 and name HA   ))   ( (resid  39 and name HE3  )) assign ((resid  40 and name HB*  ))   ( (resid  91 and name HD1  )) assign ((resid  40 and name HN   ))   ( (resid  41 and name HN   )) assign ((resid  41 and name HA   ))   ( (resid  42 and name HN   )) assign ((resid  41 and name HA   ))   ( (resid  64 and name HA   )) assign ((resid  41 and name HB*  ))   ( (resid  42 and name HN   )) assign ((resid  42 and name HA   ))   ( (resid  42 and name HD1* )) assign ((resid  42 and name HA   ))   ( (resid  42 and name HD2* )) assign ((resid  42 and name HA   ))   ( (resid  43 and name HN   )) assign ((resid  42 and name HA   ))   ( (resid  44 and name HE*  )) assign ((resid  42 and name HB1  ))   ( (resid  42 and name HD1* )) assign ((resid  42 and name HB1  ))   ( (resid  42 and name HD2* )) assign ((resid  42 and name HB1  ))   ( (resid  43 and name HN   )) assign ((resid  42 and name HB2  ))   ( (resid  42 and name HD1* )) assign ((resid  42 and name HB2  ))   ( (resid  42 and name HD2* )) assign ((resid  42 and name HB2  ))   ( (resid  43 and name HN   )) assign ((resid  42 and name HD1* ))   ( (resid  44 and name HB*  )) assign ((resid  42 and name HD1* ))   ( (resid  44 and name HE*  )) assign ((resid  42 and name HD1* ))   ( (resid  44 and name HG1  )) assign ((resid  42 and name HD1* ))   ( (resid  44 and name HG2  )) assign ((resid  42 and name HD2* ))   ( (resid  44 and name HE*  )) assign ((resid  42 and name HD2* ))   ( (resid  44 and name HG2  )) assign ((resid  42 and name HG   ))   ( (resid  44 and name HE*  )) assign ((resid  42 and name HN   ))   ( (resid  42 and name HD1* )) assign ((resid  42 and name HN   ))   ( (resid  42 and name HD2* )) assign ((resid  43 and name HA   ))   ( (resid  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HD2* ))   ( (resid  44 and name HN   )) assign ((resid  43 and name HD2* ))   ( (resid  60 and name HB1  )) assign ((resid  43 and name HD2* ))   ( (resid  60 and name HB2  )) assign ((resid  43 and name HD2* ))   ( (resid  61 and name HG2* )) assign ((resid  43 and name HD2* ))   ( (resid  61 and name HN   )) assign ((resid  43 and name HD2* ))   ( (resid  62 and name HD1* )) assign ((resid  43 and name HD2* ))   ( (resid  62 and name HG2* )) assign ((resid  43 and name HG   ))   ( (resid  44 and name HN   )) assign ((resid  43 and name HN   ))   ( (resid  43 and name HD2* )) assign ((resid  44 and name HA   ))   ( (resid  45 and name HN   )) assign ((resid  44 and name HA   ))   ( (resid  61 and name HG2* )) assign ((resid  44 and name HB*  ))   ( (resid  44 and name HE*  )) assign ((resid  44 and name HB*  ))   ( (resid  45 and name HN   )) assign ((resid  44 and name HE*  ))   ( (resid  46 and name HB   )) assign ((resid  44 and name HE*  ))   ( (resid  46 and name HD1* )) assign 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name HN   )) assign ((resid  45 and name HA   ))   ( (resid  59 and name HN   )) assign ((resid  45 and name HA   ))   ( (resid  60 and name HA   )) assign ((resid  45 and name HA   ))   ( (resid  61 and name HG2* )) assign ((resid  45 and name HA   ))   ( (resid  61 and name HN   )) assign ((resid  45 and name HB*  ))   ( (resid  58 and name HB*  )) assign ((resid  45 and name HN   ))   ( (resid  46 and name HG2* )) assign ((resid  45 and name HN   ))   ( (resid  46 and name HN   )) assign ((resid  46 and name HA   ))   ( (resid  46 and name HD1* )) assign ((resid  46 and name HA   ))   ( (resid  47 and name HD*  )) assign ((resid  46 and name HA   ))   ( (resid  47 and name HG*  )) assign ((resid  46 and name HB   ))   ( (resid  46 and name HD1* )) assign ((resid  46 and name HB   ))   ( (resid  47 and name HB*  )) assign ((resid  46 and name HB   ))   ( (resid  47 and name HD1  )) assign ((resid  46 and name HB   ))   ( (resid  47 and name HD2  )) assign ((resid  46 and name HD1* )) 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and name HB*  ))   ( (resid  49 and name HA   )) assign ((resid  48 and name HB*  ))   ( (resid  49 and name HN   )) assign ((resid  48 and name HB*  ))   ( (resid  50 and name HN   )) assign ((resid  48 and name HB*  ))   ( (resid  51 and name HD1* )) assign ((resid  48 and name HB*  ))   ( (resid  53 and name HA   )) assign ((resid  48 and name HB*  ))   ( (resid  53 and name HB   )) assign ((resid  48 and name HB*  ))   ( (resid  53 and name HD1* )) assign ((resid  48 and name HB*  ))   ( (resid  53 and name HG11 )) assign ((resid  48 and name HB*  ))   ( (resid  53 and name HG12 )) assign ((resid  48 and name HB*  ))   ( (resid  53 and name HG2* )) assign ((resid  48 and name HB*  ))   ( (resid  53 and name HN   )) assign ((resid  48 and name HB*  ))   ( (resid  54 and name HA   )) assign ((resid  48 and name HB*  ))   ( (resid  54 and name HB*  )) assign ((resid  48 and name HB*  ))   ( (resid  55 and name HA*  )) assign ((resid  48 and name HB*  ))   ( (resid  55 and name HN   )) assign ((resid  48 and name HB*  ))   ( (resid  56 and name HA   )) assign ((resid  48 and name HB*  ))   ( (resid  56 and name HB*  )) assign ((resid  48 and name HB*  ))   ( (resid  56 and name HN   )) assign ((resid  48 and name HB*  ))   ( (resid  57 and name HA   )) assign ((resid  48 and name HB*  ))   ( (resid  57 and name HD1  )) assign ((resid  48 and name HB*  ))   ( (resid  57 and name HD2  )) assign ((resid  48 and name HB*  ))   ( (resid  57 and name HG*  )) assign ((resid  48 and name HB*  ))   ( (resid  57 and name HN   )) assign ((resid  48 and name HB*  ))   ( (resid  58 and name HA   )) assign ((resid  48 and name HB*  ))   ( (resid  59 and name HG1* )) assign ((resid  48 and name HB*  ))   ( (resid  59 and name HG2* )) assign ((resid  48 and name HB*  ))   ( (resid  59 and name HN   )) assign ((resid  48 and name HN   ))   ( (resid  48 and name HB*  )) assign ((resid  48 and name HN   ))   ( (resid  49 and name HN   )) assign ((resid  48 and name HN   ))   ( (resid  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and name HD*  ))   ( (resid  77 and name HA   )) assign ((resid  76 and name HD*  ))   ( (resid  77 and name HN   )) assign ((resid  76 and name HE*  ))   ( (resid  77 and name HG*  )) assign ((resid  76 and name HE*  ))   ( (resid  77 and name HN   )) assign ((resid  76 and name HE1  ))   ( (resid  77 and name HN   )) assign ((resid  76 and name HE2  ))   ( (resid  77 and name HN   )) assign ((resid  76 and name HG*  ))   ( (resid  77 and name HN   )) assign ((resid  76 and name HG1  ))   ( (resid  76 and name HE*  )) assign ((resid  76 and name HG2  ))   ( (resid  76 and name HE*  )) assign ((resid  76 and name HN   ))   ( (resid  76 and name HB1  )) assign ((resid  76 and name HN   ))   ( (resid  76 and name HB2  )) assign ((resid  76 and name HN   ))   ( (resid  76 and name HD1  )) assign ((resid  76 and name HN   ))   ( (resid  76 and name HE*  )) assign ((resid  76 and name HN   ))   ( (resid  76 and name HE1  )) assign ((resid  76 and name HN   ))   ( (resid  76 and name HE2  )) assign ((resid  76 and name HN   ))   ( (resid  76 and name HG1  )) assign ((resid  76 and name HN   ))   ( (resid  76 and name HG2  )) assign ((resid  76 and name HN   ))   ( (resid  77 and name HN   )) assign ((resid  77 and name HA   ))   ( (resid  77 and name HD*  )) assign ((resid  77 and name HA   ))   ( (resid  77 and name HG1  )) assign ((resid  77 and name HA   ))   ( (resid  77 and name HG2  )) assign ((resid  77 and name HB*  ))   ( (resid  80 and name HD1* )) assign ((resid  77 and name HB*  ))   ( (resid 100 and name HD2* )) assign ((resid  77 and name HB1  ))   ( (resid  80 and name HN   )) assign ((resid  77 and name HB2  ))   ( (resid  80 and name HN   )) assign ((resid  77 and name HG*  ))   ( (resid  77 and name HE*  )) assign ((resid  77 and name HG*  ))   ( (resid 108 and name HD2* )) assign ((resid  77 and name HN   ))   ( (resid  77 and name HB*  )) assign ((resid  77 and name HN   ))   ( (resid  77 and name HG*  )) assign ((resid  77 and name HN   ))   ( (resid  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HN   ))   ( (resid  96 and name HG   )) assign ((resid  96 and name HN   ))   ( (resid  97 and name HN   )) assign ((resid  97 and name HA   ))   ( (resid  97 and name HD2* )) assign ((resid  97 and name HA   ))   ( (resid  98 and name HN   )) assign ((resid  97 and name HB*  ))   ( (resid  97 and name HD2* )) assign ((resid  97 and name HN   ))   ( (resid  97 and name HB*  )) assign ((resid  97 and name HN   ))   ( (resid  98 and name HN   )) assign ((resid  98 and name HA*  ))   ( (resid  99 and name HG*  )) assign ((resid  99 and name HB*  ))   ( (resid 100 and name HD2* )) assign ((resid  99 and name HB*  ))   ( (resid 100 and name HN   )) assign ((resid  99 and name HD*  ))   ( (resid 100 and name HG   )) assign ((resid  99 and name HD*  ))   ( (resid 100 and name HN   )) assign ((resid 100 and name HA   ))   ( (resid 100 and name HD1* )) assign ((resid 100 and name HA   ))   ( (resid 100 and name HD2* )) assign ((resid 100 and name HA   ))   ( (resid 101 and name HA*  )) assign ((resid 100 and name HA   ))   ( (resid 101 and name HN   )) assign ((resid 100 and name HA   ))   ( (resid 104 and name HB*  )) assign ((resid 100 and name HB*  ))   ( (resid 101 and name HA1  )) assign ((resid 100 and name HB*  ))   ( (resid 101 and name HA2  )) assign ((resid 100 and name HB*  ))   ( (resid 104 and name HB*  )) assign ((resid 100 and name HB*  ))   ( (resid 105 and name HG1* )) assign ((resid 100 and name HB1  ))   ( (resid 100 and name HD1* )) assign ((resid 100 and name HB1  ))   ( (resid 101 and name HN   )) assign ((resid 100 and name HB2  ))   ( (resid 100 and name HD1* )) assign ((resid 100 and name HB2  ))   ( (resid 101 and name HN   )) assign ((resid 100 and name HD1* ))   ( (resid 101 and name HA*  )) assign ((resid 100 and name HD1* ))   ( (resid 101 and name HN   )) assign ((resid 100 and name HD1* ))   ( (resid 104 and name HA   )) assign ((resid 100 and name HD1* ))   ( (resid 104 and name HB1  )) assign ((resid 100 and name HD1* ))   ( (resid 104 and name HB2  )) assign ((resid 100 and name HD1* ))   ( (resid 104 and name HG*  )) assign ((resid 100 and name HD1* ))   ( (resid 105 and name HA   )) assign ((resid 100 and name HD1* ))   ( (resid 105 and name HG1* )) assign ((resid 100 and name HD1* ))   ( (resid 105 and name HN   )) assign ((resid 100 and name HD2* ))   ( (resid 101 and name HN   )) assign ((resid 100 and name HD2* ))   ( (resid 104 and name HB*  )) assign ((resid 100 and name HD2* ))   ( (resid 105 and name HG1* )) assign ((resid 100 and name HN   ))   ( (resid 100 and name HB1  )) assign ((resid 100 and name HN   ))   ( (resid 100 and name HB2  )) assign ((resid 100 and name HN   ))   ( (resid 100 and name HD1* )) assign ((resid 100 and name HN   ))   ( (resid 100 and name HD2* )) assign ((resid 100 and name HN   ))   ( (resid 100 and name HG   )) assign ((resid 100 and name HN   ))   ( (resid 101 and name HN   )) assign ((resid 101 and name HA*  ))   ( (resid 102 and name HA   )) assign ((resid 101 and name HA*  ))   ( (resid 103 and name HB*  )) assign ((resid 101 and name HA*  ))   ( (resid 103 and name HN   )) assign ((resid 101 and name HA1  ))   ( (resid 102 and name HB*  )) assign ((resid 101 and name HA1  ))   ( (resid 102 and name HN   )) assign ((resid 101 and name HA1  ))   ( (resid 104 and name HN   )) assign ((resid 101 and name HA2  ))   ( (resid 102 and name HB*  )) assign ((resid 101 and name HA2  ))   ( (resid 102 and name HN   )) assign ((resid 101 and name HA2  ))   ( (resid 104 and name HN   )) assign ((resid 101 and name HN   ))   ( (resid 102 and name HN   )) assign ((resid 101 and name HN   ))   ( (resid 104 and name HB1  )) assign ((resid 101 and name HN   ))   ( (resid 104 and name HB2  )) assign ((resid 101 and name HN   ))   ( (resid 104 and name HN   )) assign ((resid 102 and name HA   ))   ( (resid 105 and name HB   )) assign ((resid 102 and name HA   ))   ( (resid 105 and name HD1* )) assign ((resid 102 and name HA   ))   ( (resid 105 and name HG2* )) assign ((resid 102 and name HA   ))   ( (resid 105 and name HN   )) assign ((resid 102 and name HA   ))   ( (resid 106 and name HN   )) assign ((resid 102 and name HB*  ))   ( (resid 103 and name HA   )) assign ((resid 102 and name HB*  ))   ( (resid 103 and name HB*  )) assign ((resid 102 and name HB*  ))   ( (resid 103 and name HG*  )) assign ((resid 102 and name HB*  ))   ( (resid 103 and name HN   )) assign ((resid 102 and name HB*  ))   ( (resid 104 and name HN   )) assign ((resid 102 and name HB*  ))   ( (resid 105 and name HB   )) assign ((resid 102 and name HB*  ))   ( (resid 105 and name HD1* )) assign ((resid 102 and name HB*  ))   ( (resid 105 and name HN   )) assign ((resid 102 and name HN   ))   ( (resid 102 and name HB*  )) assign ((resid 102 and name HN   ))   ( (resid 103 and name HB*  )) assign ((resid 102 and name HN   ))   ( (resid 104 and name HN   )) assign ((resid 102 and name HN   ))   ( (resid 105 and name HD1* )) assign ((resid 103 and name HA   ))   ( (resid 103 and name HD*  )) assign ((resid 103 and name HA   ))   ( (resid 103 and name HG*  )) assign ((resid 103 and name HA   ))   ( (resid 106 and name HB*  )) assign ((resid 103 and name HA   ))   ( (resid 106 and name HN   )) assign ((resid 103 and name HA   ))   ( (resid 107 and name HN   )) assign ((resid 103 and name HB*  ))   ( (resid 103 and name HD*  )) assign ((resid 103 and name HB*  ))   ( (resid 103 and name HE*  )) assign ((resid 103 and name HB*  ))   ( (resid 104 and name HN   )) assign ((resid 103 and name HG*  ))   ( (resid 104 and name HN   )) assign ((resid 103 and name HN   ))   ( (resid 103 and name HB*  )) assign ((resid 103 and name HN   ))   ( (resid 103 and name HG*  )) assign ((resid 103 and name HN   ))   ( (resid 104 and name HN   )) assign ((resid 104 and name HA   ))   ( (resid 104 and name HG*  )) assign ((resid 104 and name HA   ))   ( (resid 107 and name HN   )) assign ((resid 104 and name HA   ))   ( (resid 108 and name HN   )) assign ((resid 104 and name HB*  ))   ( (resid 105 and name HA   )) assign ((resid 104 and name HB1  ))   ( (resid 105 and name HN   )) assign ((resid 104 and name HB2  ))   ( (resid 105 and name HN   )) assign ((resid 104 and name HN   ))   ( (resid 104 and name HB*  )) assign ((resid 104 and name HN   ))   ( (resid 104 and name HG1  )) assign ((resid 104 and name HN   ))   ( (resid 104 and name HG2  )) assign ((resid 104 and name HN   ))   ( (resid 105 and name HN   )) assign ((resid 104 and name HN   ))   ( (resid 106 and name HN   )) assign ((resid 105 and name HA   ))   ( (resid 105 and name HD1* )) assign ((resid 105 and name HA   ))   ( (resid 105 and name HG1* )) assign ((resid 105 and name HA   ))   ( (resid 105 and name HG2* )) assign ((resid 105 and name HA   ))   ( (resid 108 and name HB*  )) assign ((resid 105 and name HA   ))   ( (resid 108 and name HD1* )) assign ((resid 105 and name HA   ))   ( (resid 108 and name HD2* )) assign ((resid 105 and name HA   ))   ( (resid 108 and name HG   )) assign ((resid 105 and name HA   ))   ( (resid 108 and name HN   )) assign ((resid 105 and name HA   ))   ( (resid 109 and name HD1* )) assign ((resid 105 and name HA   ))   ( (resid 109 and name HG11 )) assign ((resid 105 and name HA   ))   ( (resid 109 and name HG12 )) assign ((resid 105 and name HA   ))   ( (resid 109 and name HN   )) assign ((resid 105 and name HB   ))   ( (resid 106 and name HN   )) assign ((resid 105 and name HB   ))   ( (resid 107 and name HN   )) assign ((resid 105 and name HB   ))   ( (resid 109 and name HG1* )) assign ((resid 105 and name HG1* ))   ( (resid 109 and name HD1* )) assign ((resid 105 and name HG2* ))   ( (resid 105 and name HD1* )) assign ((resid 105 and name HG2* ))   ( (resid 105 and name HG11 )) assign ((resid 105 and name HG2* ))   ( (resid 105 and name HG12 )) assign ((resid 105 and name HG2* ))   ( (resid 106 and name HA   )) assign ((resid 105 and name HG2* ))   ( (resid 106 and name HD2  )) assign ((resid 105 and name HG2* ))   ( (resid 106 and name HN   )) assign ((resid 105 and name HG2* ))   ( (resid 107 and name HN   )) assign ((resid 105 and name HG2* ))   ( (resid 109 and name HD1* )) assign ((resid 105 and name HG2* ))   ( (resid 109 and name HG11 )) assign ((resid 105 and name HG2* ))   ( (resid 109 and name HG12 )) assign ((resid 105 and name HG2* ))   ( (resid 109 and name HG2* )) assign ((resid 105 and name HG2* ))   ( (resid 109 and name HN   )) assign ((resid 105 and name HN   ))   ( (resid 105 and name HB   )) assign ((resid 105 and name HN   ))   ( (resid 105 and name HD1* )) assign ((resid 105 and name HN   ))   ( (resid 105 and name HG1* )) assign ((resid 105 and name HN   ))   ( (resid 105 and name HG2* )) assign ((resid 105 and name HN   ))   ( (resid 106 and name HN   )) assign ((resid 106 and name HA   ))   ( (resid 106 and name HD2  )) assign ((resid 106 and name HA   ))   ( (resid 109 and name HB   )) assign ((resid 106 and name HA   ))   ( (resid 109 and name HD1* )) assign ((resid 106 and name HA   ))   ( (resid 109 and name HG2* )) assign ((resid 106 and name HA   ))   ( (resid 109 and name HN   )) assign ((resid 106 and name HA   ))   ( (resid 110 and name HN   )) assign ((resid 106 and name HB*  ))   ( (resid 107 and name HN   )) assign ((resid 106 and name HD2  ))   ( (resid 109 and name HD1* )) assign ((resid 106 and name HN   ))   ( (resid 106 and name HB*  )) assign ((resid 106 and name HN   ))   ( (resid 106 and name HD2  )) assign ((resid 106 and name HN   ))   ( (resid 107 and name HN   )) assign ((resid 106 and name HN   ))   ( (resid 108 and name HG   )) assign ((resid 106 and name HN   ))   ( (resid 108 and name HN   )) assign ((resid 106 and name HN   ))   ( (resid 109 and name HD1* )) assign ((resid 107 and name HA   ))   ( (resid 110 and name HB1  )) assign ((resid 107 and name HA   ))   ( (resid 110 and name HB2  )) assign ((resid 107 and name HA   ))   ( (resid 110 and name HN   )) assign ((resid 107 and name HA   ))   ( (resid 111 and name HN   )) assign ((resid 107 and name HB*  ))   ( (resid 108 and name HD2* )) assign ((resid 107 and name HB*  ))   ( (resid 108 and name HG   )) assign ((resid 107 and name HB*  ))   ( (resid 108 and name HN   )) assign ((resid 107 and name HB*  ))   ( (resid 110 and name HB*  )) assign ((resid 107 and name HN   ))   ( (resid 107 and name HB*  )) assign ((resid 107 and name HN   ))   ( (resid 108 and name HD2* )) assign ((resid 107 and name HN   ))   ( (resid 108 and name HG   )) assign ((resid 107 and name HN   ))   ( (resid 109 and name HN   )) assign ((resid 107 and name HN   ))   ( (resid 110 and name HB1  )) assign ((resid 107 and name HN   ))   ( (resid 110 and name HB2  )) assign ((resid 108 and name HA   ))   ( (resid 108 and name HD1* )) assign ((resid 108 and name HA   ))   ( (resid 108 and name HD2* )) assign ((resid 108 and name HA   ))   ( (resid 111 and name HB*  )) assign ((resid 108 and name HA   ))   ( (resid 111 and name HN   )) assign ((resid 108 and name HB*  ))   ( (resid 108 and name HD1* )) assign ((resid 108 and name HB*  ))   ( (resid 108 and name HD2* )) assign ((resid 108 and name HB*  ))   ( (resid 109 and name HG1* )) assign ((resid 108 and name HD2* ))   ( (resid 109 and name HN   )) assign ((resid 108 and name HG   ))   ( (resid 109 and name HG1* )) assign ((resid 108 and name HG   ))   ( (resid 109 and name HN   )) assign ((resid 108 and name HN   ))   ( (resid 108 and name HD1* )) assign ((resid 108 and name HN   ))   ( (resid 108 and name HD2* )) assign ((resid 108 and name HN   ))   ( (resid 108 and name HG   )) assign ((resid 108 and name HN   ))   ( (resid 109 and name HD1* )) assign ((resid 108 and name HN   ))   ( (resid 109 and name HG1* )) assign ((resid 108 and name HN   ))   ( (resid 109 and name HN   )) assign ((resid 108 and name HN   ))   ( (resid 110 and name HN   )) assign ((resid 109 and name HA   ))   ( (resid 109 and name HD1* )) assign ((resid 109 and name HA   ))   ( (resid 112 and name HB1  )) assign ((resid 109 and name HA   ))   ( (resid 112 and name HB2  )) assign ((resid 109 and name HA   ))   ( (resid 112 and name HN   )) assign ((resid 109 and name HB   ))   ( (resid 109 and name HD1* )) assign ((resid 109 and name HB   ))   ( (resid 110 and name HN   )) assign ((resid 109 and name HD1* ))   ( (resid 110 and name HN   )) assign ((resid 109 and name HG1* ))   ( (resid 110 and name HN   )) assign ((resid 109 and name HG2* ))   ( (resid 109 and name HD1* )) assign ((resid 109 and name HG2* ))   ( (resid 109 and name HG11 )) assign ((resid 109 and name HG2* ))   ( (resid 109 and name HG12 )) assign ((resid 109 and name HG2* ))   ( (resid 110 and name HA   )) assign ((resid 109 and name HG2* ))   ( (resid 110 and name HN   )) assign ((resid 109 and name HG2* ))   ( (resid 112 and name HA   )) assign ((resid 109 and name HG2* ))   ( (resid 112 and name HB*  )) assign ((resid 109 and name HG2* ))   ( (resid 113 and name HN   )) assign ((resid 109 and name HN   ))   ( (resid 109 and name HB   )) assign ((resid 109 and name HN   ))   ( (resid 109 and name HD1* )) assign ((resid 109 and name HN   ))   ( (resid 109 and name HG11 )) assign ((resid 109 and name HN   ))   ( (resid 109 and name HG12 )) assign ((resid 109 and name HN   ))   ( (resid 109 and name HG2* )) assign ((resid 109 and name HN   ))   ( (resid 110 and name HN   )) assign ((resid 109 and name HN   ))   ( (resid 111 and name HN   )) assign ((resid 110 and name HA   ))   ( (resid 113 and name HB1  )) assign ((resid 110 and name HA   ))   ( (resid 113 and name HB2  )) assign ((resid 110 and name HA   ))   ( (resid 113 and name HN   )) assign ((resid 110 and name HB*  ))   ( (resid 111 and name HA   )) assign ((resid 110 and name HB*  ))   ( (resid 111 and name HN   )) assign ((resid 110 and name HB1  ))   ( (resid 113 and name HB*  )) assign ((resid 110 and name HB2  ))   ( (resid 113 and name HB*  )) assign ((resid 110 and name HG*  ))   ( (resid 111 and name HN   )) assign ((resid 110 and name HG*  ))   ( (resid 114 and name HE2* )) assign ((resid 110 and name HN   ))   ( (resid 110 and name HB1  )) assign ((resid 110 and name HN   ))   ( (resid 110 and name HB2  )) assign ((resid 110 and name HN   ))   ( (resid 110 and name HG*  )) assign ((resid 110 and name HN   ))   ( (resid 111 and name HN   )) assign ((resid 111 and name HA   ))   ( (resid 114 and name HN   )) assign ((resid 111 and name HA   ))   ( (resid 115 and name HN   )) assign ((resid 111 and name HB*  ))   ( (resid 112 and name HA   )) assign ((resid 111 and name HB*  ))   ( (resid 112 and name HN   )) assign ((resid 111 and name HB*  ))   ( (resid 115 and name HD*  )) assign ((resid 111 and name HN   ))   ( (resid 111 and name HB*  )) assign ((resid 111 and name HN   ))   ( (resid 112 and name HN   )) assign ((resid 111 and name HN   ))   ( (resid 113 and name HN   )) assign ((resid 112 and name HA   ))   ( (resid 115 and name HB*  )) assign ((resid 112 and name HA   ))   ( (resid 115 and name HD*  )) assign ((resid 112 and name HA   ))   ( (resid 115 and name HN  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(resid 113 and name HB2  )) assign ((resid 113 and name HN   ))   ( (resid 114 and name HN   )) assign ((resid 113 and name HN   ))   ( (resid 115 and name HN   )) assign ((resid 114 and name HA   ))   ( (resid 117 and name HB*  )) assign ((resid 114 and name HA   ))   ( (resid 117 and name HD*  )) assign ((resid 114 and name HA   ))   ( (resid 117 and name HE   )) assign ((resid 114 and name HA   ))   ( (resid 117 and name HG1  )) assign ((resid 114 and name HA   ))   ( (resid 117 and name HG2  )) assign ((resid 114 and name HA   ))   ( (resid 117 and name HN   )) assign ((resid 114 and name HB*  ))   ( (resid 114 and name HE2* )) assign ((resid 114 and name HB*  ))   ( (resid 115 and name HN   )) assign ((resid 114 and name HG*  ))   ( (resid 114 and name HE2* )) assign ((resid 114 and name HN   ))   ( (resid 114 and name HG*  )) assign ((resid 114 and name HN   ))   ( (resid 115 and name HN   )) assign ((resid 115 and name HA   ))   ( (resid 115 and name HD*  )) assign ((resid 115 and name HA   ))   ( (resid 115 and name HD1* )) assign ((resid 115 and name HA   ))   ( (resid 115 and name HD2* )) assign ((resid 115 and name HA   ))   ( (resid 116 and name HG2* )) assign ((resid 115 and name HB*  ))   ( (resid 116 and name HG2* )) assign ((resid 115 and name HB1  ))   ( (resid 115 and name HD1* )) assign ((resid 115 and name HB1  ))   ( (resid 115 and name HD2* )) assign ((resid 115 and name HB1  ))   ( (resid 116 and name HA   )) assign ((resid 115 and name HB1  ))   ( (resid 116 and name HN   )) assign ((resid 115 and name HB2  ))   ( (resid 115 and name HD1* )) assign ((resid 115 and name HB2  ))   ( (resid 115 and name HD2* )) assign ((resid 115 and name HB2  ))   ( (resid 116 and name HA   )) assign ((resid 115 and name HB2  ))   ( (resid 116 and name HN   )) assign ((resid 115 and name HN   ))   ( (resid 115 and name HB1  )) assign ((resid 115 and name HN   ))   ( (resid 115 and name HB2  )) assign ((resid 115 and name HN   ))   ( (resid 115 and name HD*  )) assign ((resid 115 and name HN   ))   ( (resid 115 and name HG   )) assign ((resid 115 and name HN   ))   ( (resid 116 and name HG2* )) assign ((resid 115 and name HN   ))   ( (resid 116 and name HN   )) assign ((resid 115 and name HN   ))   ( (resid 117 and name HN   )) assign ((resid 116 and name HA   ))   ( (resid 116 and name HG2* )) assign ((resid 116 and name HB   ))   ( (resid 117 and name HN   )) assign ((resid 116 and name HG*  ))   ( (resid 117 and name HN   )) assign ((resid 116 and name HG2* ))   ( (resid 117 and name HN   )) assign ((resid 116 and name HN   ))   ( (resid 116 and name HG*  )) assign ((resid 116 and name HN   ))   ( (resid 116 and name HG2* )) assign ((resid 116 and name HN   ))   ( (resid 117 and name HN   )) assign ((resid 117 and name HA   ))   ( (resid 117 and name HG1  )) assign ((resid 117 and name HA   ))   ( (resid 117 and name HG2  )) assign ((resid 117 and name HA   ))   ( (resid 118 and name HA   )) assign ((resid 117 and name HA   ))   ( (resid 118 and name HN   )) assign ((resid 117 and name HB*  ))   ( (resid 117 and name HD*  )) assign ((resid 117 and name HB*  ))   ( (resid 118 and name HN   )) assign ((resid 117 and name HB1  ))   ( (resid 117 and name HE   )) assign ((resid 117 and name HB2  ))   ( (resid 117 and name HE   )) assign ((resid 117 and name HG*  ))   ( (resid 118 and name HN   )) assign ((resid 117 and name HN   ))   ( (resid 117 and name HB*  )) assign ((resid 117 and name HN   ))   ( (resid 117 and name HG1  )) assign ((resid 117 and name HN   ))   ( (resid 117 and name HG2  )) assign ((resid 117 and name HN   ))   ( (resid 118 and name HN   )) assign ((resid 118 and name HA   ))   ( (resid 118 and name HD1* )) assign ((resid 118 and name HA   ))   ( (resid 118 and name HG   )) assign ((resid 118 and name HA   ))   ( (resid 119 and name HB*  )) assign ((resid 118 and name HA   ))   ( (resid 119 and name HN   )) assign ((resid 118 and name HB*  ))   ( (resid 118 and name HD1* )) assign ((resid 118 and name HB*  ))   ( (resid 118 and name HD2* )) assign ((resid 118 and name HB*  ))   ( (resid 119 and name HA   )) assign ((resid 118 and name HB*  ))   ( (resid 119 and name HN   )) assign ((resid 118 and name HB*  ))   ( (resid 120 and name HN   )) assign ((resid 118 and name HD2* ))   ( (resid 119 and name HG*  )) assign ((resid 118 and name HD2* ))   ( (resid 119 and name HN   )) assign ((resid 118 and name HN   ))   ( (resid 118 and name HB*  )) assign ((resid 118 and name HN   ))   ( (resid 118 and name HD1* )) assign ((resid 118 and name HN   ))   ( (resid 118 and name HD2* )) assign ((resid 118 and name HN   ))   ( (resid 118 and name HG   )) assign ((resid 119 and name HA   ))   ( (resid 119 and name HG1  )) assign ((resid 119 and name HA   ))   ( (resid 119 and name HG2  )) assign ((resid 119 and name HA   ))   ( (resid 120 and name HB*  )) assign ((resid 119 and name HA   ))   ( (resid 120 and name HN   )) assign ((resid 119 and name HB1  ))   ( (resid 120 and name HN   )) assign ((resid 119 and name HB2  ))   ( (resid 120 and name HN   )) assign ((resid 119 and name HG*  ))   ( (resid 120 and name HA   )) assign ((resid 119 and name HG1  ))   ( (resid 120 and name HN   )) assign ((resid 119 and name HG2  ))   ( (resid 120 and name HN   )) assign ((resid 119 and name HN   ))   ( (resid 119 and name HB*  )) assign ((resid 119 and name HN   ))   ( (resid 119 and name HG1  )) assign ((resid 119 and name HN   ))   ( (resid 119 and name HG2  )) assign ((resid 119 and name HN   ))   ( (resid 120 and name HB*  )) assign ((resid 120 and name HA   ))   ( (resid 121 and name HN   )) assign ((resid 120 and name HB*  ))   ( (resid 121 and name HN   )) assign ((resid 121 and name HA   ))   ( (resid 122 and name HN   )) assign ((resid 121 and name HB*  ))   ( (resid 122 and name HN   )) assign ((resid 122 and name HA   ))   ( (resid 123 and name HN   )) assign ((resid 122 and name HB*  ))   ( (resid 123 and name HN   )) assign ((resid 123 and name HA   ))   ( (resid 124 and name HN   ))

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2.96 1.80 0.00 2.77 1.80 0.00 3.01 1.80 0.00 4.25 1.80 0.00 4.25 1.80 0.00 4.25 1.80 0.00 3.13 1.80 0.00 4.25 1.80 0.00 2.28 1.80 0.00 1.74 1.80 0.00 4.11 1.80 0.00 2.55 1.80 0.00 4.11 1.80 0.00 2.55 1.80 0.00 1.89 1.80 0.00 4.10 1.80 0.00 4.10 1.80 0.00 2.31 1.80 0.00 2.85 1.80 0.00 3.33 1.80 0.00 2.43 1.80 0.00 2.92 1.80 0.00 2.74 1.80 0.00 3.20 1.80 0.00 3.26 1.80 0.00 3.27 1.80 0.00 3.01 1.80 0.00 2.79 1.80 0.00 3.06 1.80 0.00 2.05 1.80 0.00 4.07 1.80 0.00 4.25 1.80 0.00 4.25 1.80 0.00 1.91 1.80 0.00 3.18 1.80 0.00 4.25 1.80 0.00 4.25 1.80 0.00 1.43 1.80 0.00 4.17 1.80 0.00 4.17 1.80 0.00 1.79 1.80 0.00 1.63 1.80 0.00 2.71 1.80 0.00 2.93 1.80 0.00 2.62 1.80 0.00 2.62 1.80 0.00 1.74 1.80 0.00 4.07 1.80 0.00 1.87 1.80 0.00 1.83 1.80 0.00 2.09 1.80 0.00 2.46 1.80 0.00 2.50 1.80 0.00 2.26 1.80 0.00 4.16 1.80 0.00 3.18 1.80 0.00 4.25 1.80 0.00 4.25 1.80 0.00 2.58 1.80 0.00 3.38 1.80 0.00 4.25 1.80 0.00 3.00 1.80 0.00 3.00 1.80 0.00 3.09 1.80 0.00 2.77 1.80 0.00 2.88 1.80 0.00 2.96 1.80 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2.28 1.80 0.00 2.33 1.80 0.00 3.44 1.80 0.00 4.25 1.80 0.00 1.63 1.80 0.00 2.77 1.80 0.00 3.20 1.80 0.00 1.20 1.80 0.00 3.29 1.80 0.00 3.78 1.80 0.00 1.20 1.80 0.00 2.09 1.80 0.00 0.99 1.80 0.00 4.03 1.80 0.00 1.71 1.80 0.00 2.74 1.80 0.00 2.10 1.80 0.00 1.48 1.80 0.00 3.20 1.80 0.00 3.37 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.15 1.80 0.00 2.71 1.80 0.00 2.47 1.80 0.00 2.47 1.80 0.00 3.20 1.80 0.00 3.78 1.80 0.00 3.83 1.80 0.00 3.48 1.80 0.00 1.54 1.80 0.00 1.81 1.80 0.00 2.91 1.80 0.00 2.63 1.80 0.00 3.23 1.80 0.00 2.07 1.80 0.00 4.18 1.80 0.00 3.47 1.80 0.00 4.25 1.80 0.00 3.13 1.80 0.00 1.60 1.80 0.00 2.41 1.80 0.00 1.48 1.80 0.00 3.39 1.80 0.00 1.82 1.80 0.00 1.58 1.80 0.00 4.25 1.80 0.00 2.40 1.80 0.00 3.38 1.80 0.00 2.61 1.80 0.00 4.07 1.80 0.00 1.87 1.80 0.00 3.00 1.80 0.00 2.27 1.80 0.00 1.59 1.80 0.00 3.70 1.80 0.00 3.02 1.80 0.00 3.59 1.80 0.00 1.61 1.80 0.00 3.71 1.80 0.00 4.25 1.80 0.00 3.59 1.80 0.00 3.59 1.80 0.00 4.25 1.80 0.00 3.34 1.80 0.00 3.22 1.80 0.00 2.59 1.80 0.00 3.34 1.80 0.00 3.22 1.80 0.00 2.59 1.80 0.00 2.27 1.80 0.00 2.27 1.80 0.00 4.10 1.80 0.00 3.00 1.80 0.00 4.25 1.80 0.00 3.20 1.80 0.00 1.93 1.80 0.00 2.06 1.80 0.00 2.37 1.80 0.00 2.99 1.80 0.00 3.48 1.80 0.00 3.06 1.80 0.00 2.74 1.80 0.00 2.48 1.80 0.00 2.75 1.80 0.00 1.90 1.80 0.00 2.66 1.80 0.00 1.25 1.80 0.00 3.01 1.80 0.00 3.56 1.80 0.00 2.95 1.80 0.00 3.50 1.80 0.00 2.77 1.80 0.00 2.59 1.80 0.00 1.80 1.80 0.00 3.37 1.80 0.00 1.74 1.80 0.00 2.69 1.80 0.00 2.74 1.80 0.00 1.62 1.80 0.00 2.92 1.80 0.00 1.67 1.80 0.00 1.93 1.80 0.00 1.97 1.80 0.00 2.16 1.80 0.00 3.68 1.80 0.00 3.68 1.80 0.00 3.98 1.80 0.00 1.91 1.80 0.00 2.08 1.80 0.00 1.61 1.80 0.00 4.25 1.80 0.00 3.17 1.80 0.00 3.48 1.80 0.00 1.79 1.80 0.00 2.02 1.80 0.00 3.62 1.80 0.00 2.35 1.80 0.00 3.03 1.80 0.00 4.05 1.80 0.00 4.25 1.80 0.00 3.12 1.80 0.00 1.92 1.80 0.00 4.17 1.80 0.00 3.20 1.80 0.00 2.36 1.80 0.00 4.25 1.80 0.00 2.36 1.80 0.00 4.25 1.80 0.00 3.38 1.80 0.00 3.45 1.80 0.00 3.09 1.80 0.00 2.24 1.80 0.00 2.84 1.80 0.00 3.84 1.80 0.00 2.17 1.80 0.00 4.03 1.80 0.00 2.94 1.80 0.00 3.20 1.80 0.00 1.93 1.80 0.00 2.79 1.80 0.00 3.01 1.80 0.00 3.01 1.80 0.00 2.70 1.80 0.00 3.62 1.80 0.00 2.99 1.80 0.00 2.99 1.80 0.00 2.86 1.80 0.00 3.64 1.80 0.00 3.42 1.80 0.00 3.30 1.80 0.00 1.54 1.80 0.00 2.16 1.80 0.00 4.25 1.80 0.00 3.94 1.80 0.00 3.52 1.80 0.00 4.25 1.80 0.00 4.18 1.80 0.00 3.74 1.80 0.00 3.74 1.80 0.00 3.64 1.80 0.00 2.84 1.80 0.00 2.84 1.80 0.00 1.75 1.80 0.00 2.61 1.80 0.00 2.68 1.80 0.00 4.07 1.80 0.00 2.43 1.80 0.00 3.41 1.80 0.00 3.41 1.80 0.00 1.76 1.80 0.00 3.20 1.80 0.00 3.45 1.80 0.00 2.85 1.80 0.00 2.85 1.80 0.00 2.85 1.80 0.00 2.85 1.80 0.00 4.25 1.80 0.00 3.79 1.80 0.00 3.79 1.80 0.00 3.20 1.80 0.00 1.74 1.80 0.00 2.26 1.80 0.00 3.62 1.80 0.00 1.50 1.80 0.00 3.17 1.80 0.00 2.48 1.80 0.00 2.48 1.80 0.00 1.38 1.80 0.00 3.01 1.80 0.00 3.26 1.80 0.00 3.01 1.80 0.00 2.37 1.80 0.00 3.24 1.80 0.00 3.34 1.80 0.00 2.42 1.80 0.00 3.20 1.80 0.00 2.47 1.80 0.00 2.61 1.80 0.00 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3.32 1.80 0.00 3.69 1.80 0.00 2.72 1.80 0.00 1.97 1.80 0.00 2.72 1.80 0.00 1.97 1.80 0.00 3.40 1.80 0.00 3.22 1.80 0.00 4.09 1.80 0.00 1.90 1.80 0.00 2.90 1.80 0.00 3.58 1.80 0.00 3.58 1.80 0.00 4.25 1.80 0.00 4.25 1.80 0.00 2.46 1.80 0.00 2.79 1.80 0.00 2.70 1.80 0.00 1.97 1.80 0.00 3.19 1.80 0.00 3.17 1.80 0.00 3.23 1.80 0.00 2.95 1.80 0.00 1.59 1.80 0.00 2.30 1.80 0.00 1.59 1.80 0.00 2.52 1.80 0.00 3.57 1.80 0.00 3.70 1.80 0.00 2.58 1.80 0.00 3.63 1.80 0.00 2.94 1.80 0.00 3.29 1.80 0.00 2.88 1.80 0.00 3.36 1.80 0.00 3.58 1.80 0.00 1.96 1.80 0.00 1.63 1.80 0.00 2.06 1.80 0.00 2.19 1.80 0.00 3.21 1.80 0.00 4.06 1.80 0.00 2.70 1.80 0.00 2.92 1.80 0.00 2.23 1.80 0.00 2.53 1.80 0.00 2.67 1.80 0.00 3.19 1.80 0.00 1.24 1.80 0.00 3.37 1.80 0.00 4.25 1.80 0.00 4.25 1.80 0.00 2.90 1.80 0.00 3.57 1.80 0.00 1.61 1.80 0.00 2.61 1.80 0.00 1.61 1.80 0.00 2.61 1.80 0.00 3.08 1.80 0.00 2.38 1.80 0.00 3.82 1.80 0.00 2.73 1.80 0.00 2.73 1.80 0.00 3.20 1.80 0.00 2.58 1.80 0.00 1.92 1.80 0.00 3.14 1.80 0.00 3.46 1.80 0.00 3.02 1.80 0.00 2.75 1.80 0.00 2.39 1.80 0.00 2.39 1.80 0.00 2.69 1.80 0.00 2.23 1.80 0.00 2.30 1.80 0.00 3.39 1.80 0.00 3.56 1.80 0.00 4.07 1.80 0.00 2.64 1.80 0.00 3.27 1.80 0.00 1.71 1.80 0.00 3.76 1.80 0.00 3.27 1.80 0.00 1.71 1.80 0.00 3.76 1.80 0.00 3.14 1.80 0.00 3.49 1.80 0.00 3.49 1.80 0.00 2.80 1.80 0.00 2.18 1.80 0.00 1.87 1.80 0.00 3.35 1.80 0.00 2.90 1.80 0.00 3.59 1.80 0.00 3.01 1.80 0.00 3.24 1.80 0.00 2.62 1.80 0.00 1.56 1.80 0.00 3.17 1.80 0.00 3.04 1.80 0.00 2.85 1.80 0.00 3.58 1.80 0.00 1.17 1.80 0.00 3.46 1.80 0.00 3.29 1.80 0.00 4.25 1.80 0.00 3.30 1.80 0.00 2.04 1.80 0.00 2.33 1.80 0.00 2.59 1.80 0.00 4.01 1.80 0.00 1.80 1.80 0.00 3.24 1.80 0.00 3.20 1.80 0.00 3.02 1.80 0.00 1.71 1.80 0.00 1.89 1.80 0.00 1.62 1.80 0.00 1.82 1.80 0.00 2.84 1.80 0.00 3.20 1.80 0.00 3.78 1.80 0.00 2.99 1.80 0.00 2.99 1.80 0.00 1.54 1.80 0.00 2.60 1.80 0.00 2.60 1.80 0.00 1.70 1.80 0.00 3.11 1.80 0.00 2.70 1.80 0.00 2.12 1.80 0.00 1.68 1.80 0.00 3.21 1.80 0.00 1.72 1.80 0.00 4.22 1.80 0.00 2.16 1.80 0.00 2.50 1.80 0.00 4.13 1.80 0.00 4.25 1.80 0.00 4.25 1.80 0.00 3.49 1.80 0.00 1.98 1.80 0.00 3.87 1.80 0.00 4.25 1.80 0.00 4.07 1.80 0.00 1.59 1.80 0.00 2.75 1.80 0.00 2.75 1.80 0.00 3.04 1.80 0.00 2.78 1.80 0.00 2.31 1.80 0.00 3.89 1.80 0.00 1.26 1.80 0.00 3.02 1.80 0.00 3.02 1.80 0.00 3.01 1.80 0.00 3.49 1.80 0.00 1.65 1.80 0.00 2.38 1.80 0.00 1.42 1.80 0.00 2.66 1.80 0.00 1.93 1.80 0.00 2.16 1.80 0.00 2.85 1.80 0.00 2.14 1.80 0.00 3.46 1.80 0.00 3.16 1.80 0.00 3.20 1.80 0.00 1.79 1.80 0.00 2.29 1.80 0.00 1.67 1.80 0.00 2.68 1.80 0.00 1.89 1.80 0.00 4.12 1.80 0.00 3.72 1.80 0.00 3.84 1.80 0.00 3.33 1.80 0.00 3.33 1.80 0.00 3.37 1.80 0.00 4.25 1.80 0.00 2.37 1.80 0.00 2.82 1.80 0.00 1.99 1.80 0.00 4.25 1.80 0.00 1.37 1.80 0.00 4.12 1.80 0.00 2.78 1.80 0.00 3.63 1.80 0.00 4.25 1.80 0.00 4.25 1.80 0.00 2.90 1.80 0.00 1.42 1.80 0.00 3.39 1.80 0.00 2.90 1.80 0.00 1.61 1.80 0.00 1.59 1.80 0.00 4.25 1.80 0.00 3.78 1.80 0.00 4.25 1.80 0.00 3.24 1.80 0.00 2.40 1.80 0.00 2.02 1.80 0.00 1.40 1.80 0.00 4.25 1.80 0.00 4.25 1.80 0.00 2.10 1.80 0.00 3.70 1.80 0.00 3.01 1.80 0.00 2.91 1.80 0.00 2.91 1.80 0.00 2.93 1.80 0.00 1.89 1.80 0.00 2.73 1.80 0.00 4.25 1.80 0.00 4.03 1.80 0.00 1.39 1.80 0.00 2.86 1.80 0.00 2.86 1.80 0.00 3.17 1.80 0.00 2.63 1.80 0.00 4.25 1.80 0.00 3.49 1.80 0.00 3.09 1.80 0.00 1.86 1.80 0.00 2.92 1.80 0.00 2.40 1.80 0.00 2.40 1.80 0.00 2.38 1.80 0.00 2.28 1.80 0.00 3.52 1.80 0.00 3.16 1.80 0.00 3.16 1.80 0.00 2.36 1.80 0.00 3.15 1.80 0.00 1.80 1.80 0.00 4.25 1.80 0.00 4.25 1.80 0.00 2.78 1.80 0.00 3.44 1.80 0.00 1.80 1.80 0.00 1.80 1.80 0.00 2.74 1.80 0.00 2.35 1.80 0.00 3.40 1.80 0.00 3.70 1.80 0.00 2.73 1.80 0.00 1.94 1.80 0.00 2.90 1.80 0.00 1.57 1.80 0.00 1.94 1.80 0.00 4.20 1.80 0.00 2.55 1.80 0.00 2.55 1.80 0.00 2.67 1.80 0.00 2.56 1.80 0.00 3.20 1.80 0.00 3.15 1.80 0.00 3.15 1.80 0.00 2.37 1.80 0.00 2.37 1.80 0.00 2.24 1.80 0.00 3.40 1.80 0.00 3.91 1.80 0.00 4.22 1.80 0.00 3.66 1.80 0.00 3.30 1.80 0.00 3.30 1.80 0.00 2.20 1.80 0.00 2.20 1.80 0.00 2.48 1.80 0.00 4.07 1.80 0.00 2.31 1.80 0.00 2.83 1.80 0.00 4.25 1.80 0.00 3.84 1.80 0.00 3.84 1.80 0.00 2.84 1.80 0.00 2.83 1.80 0.00 2.61 1.80 0.00 1.67 1.80 0.00 2.02 1.80 0.00 2.40 1.80 0.00 1.47 1.80 0.00 2.45 1.80 0.00 2.45 1.80 0.00 3.50 1.80 0.00 1.86 1.80 0.00 2.42 1.80 0.00 2.42 1.80 0.00 3.66 1.80 0.00 3.60 1.80 0.00 2.42 1.80 0.00 2.42 1.80 0.00 3.66 1.80 0.00 3.60 1.80 0.00 2.24 1.80 0.00 2.24 1.80 0.00 2.48 1.80 0.00 2.41 1.80 0.00 3.74 1.80 0.00 2.25 1.80 0.00 3.27 1.80 0.00 1.71 1.80 0.00 3.36 1.80 0.00 3.09 1.80 0.00 3.27 1.80 0.00 2.20 1.80 0.00 2.08 1.80 0.00 1.64 1.80 0.00 2.51 1.80 0.00 2.51 1.80 0.00 3.71 1.80 0.00 1.83 1.80 0.00 1.75 1.80 0.00 2.62 1.80 0.00 4.25 1.80 0.00 4.25 1.80 0.00 3.53 1.80 0.00 1.47 1.80 0.00 3.13 1.80 0.00 3.13 1.80 0.00 3.24 1.80 0.00 2.59 1.80 0.00 2.24 1.80 0.00 3.51 1.80 0.00 1.13 1.80 0.00 1.32 1.80 0.00 1.36 1.80 0.00 3.14 1.80 0.00 2.80 1.80 0.00 3.92 1.80 0.00 3.66 1.80 0.00 3.20 1.80 0.00 1.68 1.80 0.00 2.48 1.80 0.00 3.56 1.80 0.00 2.36 1.80 0.00 2.57 1.80 0.00 2.57 1.80 0.00 3.55 1.80 0.00 1.09 1.80 0.00 3.87 1.80 0.00 3.87 1.80 0.00 4.09 1.80 0.00 4.25 1.80 0.00 4.25 1.80 0.00 1.98 1.80 0.00 2.70 1.80 0.00 2.70 1.80 0.00 3.64 1.80 0.00 1.67 1.80 0.00 2.31 1.80 0.00 1.20 1.80 0.00 1.62 1.80 0.00 1.76 1.80 0.00 2.61 1.80 0.00 1.76

list of removed NOE constraints

   313-> TYR    14 HN   - ASP     15 HA    1.80  4.92 	 # NoRestrctn S [2.00 3.99] -- sequential
   440-> PHE    25 HN   - PRO     26 HA    1.80  5.52 	 # NoRestrctn S [2.00 3.99] -- sequential
   833-> ILE    51 HN   - GLY     52 HA*   1.80  5.56 	 # NoRestrctn S [2.00 3.55] -- sequential
   889-> LYS    57 HA   - ARG     58 HN    1.80  3.99 	 # NoRestrctn S [2.00 3.99] -- sequential
  1176-> LEU    70 HN   - VAL     71 HA    1.80  5.47 	 # NoRestrctn S [2.00 3.99] -- sequential
 ====== TOTAL ======:  5

table of distance constraints violations


  Residual Violations greater than 0.10 

    5-> MET      1 HB*  - MET      1 HE*  [ 1.80  3.44]  0.00  0.16  0.00  0.00  0.00  0.00  0.00  0.08  0.13  0.17  0.00  0.00  0.00  0.00  0.20  0.17  0.00  0.00  0.29  0.00 -   7 [ 0.08 ..  0.29]
    7-> MET      1 HB*  - LEU     96 HB*  [ 1.80  5.27]  0.00  0.02  0.00  0.08  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.10  0.00  0.00  0.00  0.00  0.02  0.00 -   4 [ 0.02 ..  0.10]
    8-> MET      1 HB*  - LEU     96 HD2* [ 1.80  4.00]  0.00  0.07  0.11  0.00  0.00  0.00  0.00  0.00  0.02  0.00  0.00  0.00  0.04  0.04  0.00  0.00  0.00  0.00  0.32  0.00 -   6 [ 0.02 ..  0.32]
   20-> MET      1 HE*  - LEU     96 HD2* [ 1.80  4.26]  0.00  0.00  0.08  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.37  0.00  0.00  0.00  0.00  0.02  0.00  0.00  0.00 -   4 [ 0.00 ..  0.37]
   21-> MET      1 HE*  - ALA    102 HA   [ 1.80  3.61]  0.00  0.14  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.11  0.00  0.06  0.00  0.02  0.00  0.05  0.00  0.05  0.00  0.00 -   6 [ 0.02 ..  0.14]
   31-> MET      1 HG*  - GLN      5 HB*  [ 1.80  3.47]  0.00  0.00  0.13  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 [ 0.13 ..  0.13]
   42-> MET      1 HG2  - ASN      2 HN   [ 1.80  4.76]  0.00  0.00  0.41  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  0.11  0.00 -   2 [ 0.11 ..  0.41]
   43-> MET      1 HG2  - GLN      5 HB3  [ 1.80  4.73]  0.00  0.00  0.14  0.00  0.02  0.00  0.00  0.01  0.02  0.00  0.02  0.00  0.05  0.00  0.19  0.00  0.00  0.00  0.61  0.00 -   8 [ 0.01 ..  0.61]
   44-> MET      1 HG2  - GLN      5 HB2  [ 1.80  4.73]  0.00  0.00  0.01  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  0.15  0.00 -   2 [ 0.01 ..  0.15]
   47-> ASN      2 HA   - LEU     96 HB*  [ 1.80  4.89]  0.00  0.00  0.00  0.00  0.00  0.01  0.00  0.00  0.10  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.01 ..  0.10]
   49-> ASN      2 HA   - LEU     96 HD2* [ 1.80  5.20]  0.13  0.00  0.00  0.00  0.00  0.19  0.00  0.08  0.06  0.00  0.00  0.00  0.03  0.00  0.05  0.00  0.00  0.05  0.00  0.10 -   8 [ 0.03 ..  0.19]
   73-> ARG      3 HE   - LEU     43 HD1* [ 1.80  4.93]  0.00  0.00  0.00  0.00  0.02  0.00  0.00  0.00  0.15  0.00  0.00  0.00  0.00  0.00  0.04  0.00  0.00  0.16  0.00  0.00 -   4 [ 0.02 ..  0.16]
  131-> PHE      6 HD*  - ILE      7 HD1* [ 1.80  4.57]  0.00  0.00  0.14  0.01  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 [ 0.00 ..  0.14]
  182-> ILE      7 HD1* - LEU     43 HG   [ 1.80  5.78]  0.00  0.00  0.00  0.00  0.13  0.07  0.00  0.00  0.21  0.05  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.08  0.00 -   5 [ 0.05 ..  0.21]
  253-> ALA     10 HB*  - ALA     41 HB*  [ 1.80  5.17]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.20  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.20 ..  0.20]
  326-> THR     16 HG2* - LYS     17 HN   [ 1.80  3.71]  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  0.12  0.00 -   1 [ 0.12 ..  0.12]
  362-> ASP     19 HB2  - VAL     30 HG1* [ 1.80  5.71]  0.00  0.00  0.00  0.00  0.10  0.00  0.00  0.00  0.06  0.00  0.00  0.16  0.00  0.00  0.13  0.00  0.03  0.00  0.00  0.00 -   5 [ 0.03 ..  0.16]
  373-> PRO     21 HB*  - VAL     30 HG2* [ 1.80  4.65]  0.00  0.00  0.00  0.00  0.15  0.00  0.00  0.00  0.09  0.00  0.00  0.06  0.00  0.00  0.09  0.00  0.10  0.00  0.00  0.00 -   5 [ 0.06 ..  0.15]
  390-> TRP     22 HD1  - GLU     23 HN   [ 1.80  4.97]  0.00  0.00  0.00  0.00  0.00  0.00  0.61  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 [ 0.61 ..  0.61]
  486-> VAL     30 HA   - LEU     42 HD2* [ 1.80  4.60]  0.00  0.05  0.00  0.36  0.14  0.00  0.00  0.00  0.03  0.00  0.00  0.17  0.06  0.05  0.00  0.35  0.08  0.00  0.00  0.00 -   9 [ 0.03 ..  0.36]
  499-> VAL     30 HG1* - LEU     42 HD2* [ 1.80  4.08]  0.00  0.00  0.00  0.17  0.09  0.00  0.00  0.00  0.03  0.00  0.00  0.14  0.02  0.00  0.00  0.21  0.03  0.00  0.00  0.00 -   7 [ 0.02 ..  0.21]
  526-> ARG     32 HA   - TYR     40 HN   [ 1.80  5.69]  0.00  0.00  0.00  0.00  0.09  0.00  0.11  0.00  0.09  0.42  0.01  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.05 -   6 [ 0.01 ..  0.42]
  530-> ARG     32 HB*  - TRP     39 HD1  [ 1.80  4.31]  0.00  0.00  0.00  0.10  0.00  0.00  0.00  0.00  0.21  0.00  0.00  0.00  0.00  0.03  0.00  0.00  0.00  0.05  0.00  0.00 -   4 [ 0.03 ..  0.21]
  539-> HIS     33 HB*  - LYS     38 HN   [ 1.80  5.87]  0.08  0.00  0.08  0.00  0.00  0.13  0.00  0.10  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   4 [ 0.08 ..  0.13]
  548-> ASP     35 HB*  - LEU    118 HD1* [ 1.80  4.04]  0.00  0.86  0.00  0.00  0.00  0.00  0.00  0.00  0.03  0.20  0.00  0.18  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   4 [ 0.03 ..  0.86]
  555-> ASN     36 HB*  - LEU    118 HA   [ 1.80  5.74]  0.00  0.00  0.00  0.00  0.00  0.00  0.17  0.00  0.00  0.00  0.00  0.01  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.01 ..  0.17]
  557-> ASN     36 HB*  - LEU    118 HD1* [ 1.80  4.37]  0.00  0.19  0.02  0.03  0.06  0.00  0.00  0.03  0.00  0.00  0.05  0.00  0.00  0.00  0.00  0.00  0.00  0.11  0.00  0.00 -   7 [ 0.02 ..  0.19]
  559-> ASN     36 HB*  - LEU    118 HG   [ 1.80  4.86]  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  0.00  0.00  0.00  0.06  0.00  0.00 -   2 [ 0.06 ..  0.12]
  560-> ASN     36 HD2* - ARG    117 HA   [ 1.80  5.86]  0.00  0.00  0.00  0.00  0.00  0.02  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 -   2 [ 0.02 ..  0.17]
  567-> ASN     36 HD2* - GLU    119 HN   [ 1.80  5.46]  0.00  0.03  0.12  0.00  0.09  0.00  0.14  0.00  0.00  0.26  0.00  0.09  0.00  0.00  0.00  0.13  0.00  0.00  0.00  0.00 -   7 [ 0.03 ..  0.26]
  571-> ASN     36 HD22 - LEU    118 HG   [ 1.80  5.62]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.03  0.01  0.00  0.00  0.00  0.00  0.00  0.01  0.00  0.00  0.00  0.01  0.16 -   6 [ 0.00 ..  0.16]
  573-> ASP     37 HN   - LYS     38 HN   [ 1.80  4.44]  0.00  0.00  0.00  0.00  0.00  0.20  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 [ 0.20 ..  0.20]
  577-> LYS     38 HN   - LYS     38 HD*  [ 1.80  4.62]  0.00  0.16  0.00  0.00  0.07  0.15  0.00  0.21  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.12 -   5 [ 0.07 ..  0.21]
  581-> TYR     40 HB*  - TRP     91 HD1  [ 1.80  4.65]  0.00  0.02  0.00  0.00  0.00  0.08  0.00  0.00  0.00  0.00  0.19  0.00  0.00  0.00  0.00  0.03  1.15  0.09  0.00  0.00 -   6 [ 0.02 ..  1.15]
  589-> LEU     42 HA   - MET     44 HE*  [ 1.80  5.90]  0.00  0.19  0.00  0.00  0.00  0.00  0.20  0.20  0.00  0.16  0.00  0.00  0.00  0.09  0.00  0.00  0.00  0.05  0.30  0.00 -   7 [ 0.05 ..  0.30]
  596-> LEU     42 HD1* - MET     44 HB*  [ 1.80  4.21]  0.21  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  0.00 -   1 [ 0.21 ..  0.21]
  597-> LEU     42 HD1* - MET     44 HE*  [ 1.80  3.43]  0.00  0.00  0.00  0.16  0.37  0.00  0.00  0.00  0.00  0.00  0.00  0.43  0.44  0.00  0.00  0.12  0.10  0.00  0.00  0.04 -   7 [ 0.04 ..  0.44]
  602-> LEU     42 HG   - MET     44 HE*  [ 1.80  3.45]  0.33  0.00  0.17  0.00  0.00  0.24  0.06  0.07  0.00  0.02  0.32  0.00  0.00  0.00  0.44  0.00  0.00  0.38  0.29  0.00 -  10 [ 0.02 ..  0.44]
  625-> LEU     43 HD2* - ILE     62 HD1* [ 1.80  6.05]  0.00  0.02  0.00  0.14  0.11  0.00  0.00  0.09  0.00  0.00  0.12  0.00  0.00  0.06  0.06  0.00  0.13  0.03  0.00  0.00 -   9 [ 0.02 ..  0.14]
  675-> ILE     46 HD1* - TYR     84 HB*  [ 1.80  5.26]  0.00  0.04  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  0.00  0.00  0.19  0.00  0.00 -   3 [ 0.01 ..  0.19]
  686-> ILE     46 HG2* - TYR     84 HD*  [ 1.80  5.14]  0.01  0.13  0.00  0.03  0.06  0.01  0.00  0.10  0.01  0.00  0.04  0.00  0.02  0.00  0.01  0.00  0.07  0.00  0.00  0.00 -  11 [ 0.01 ..  0.13]
  762-> GLU     49 HA   - ASP     56 HA   [ 1.80  4.88]  0.00  0.09  0.00  0.05  0.00  0.32  0.00  0.00  0.02  0.04  0.00  0.00  0.36  0.00  0.00  0.08  0.00  0.00  0.00  0.09 -   8 [ 0.02 ..  0.36]
  774-> LYS     50 HB*  - TYR     84 HB*  [ 1.80  4.50]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.03  0.00  0.00  0.00  0.00  0.38  0.00  0.00  0.00  0.72  0.00  0.00 -   3 [ 0.03 ..  0.72]
  820-> ILE     51 HG2* - ILE     53 HB   [ 1.80  5.42]  0.02  0.02  0.04  0.02  0.04  0.00  0.04  0.05  0.03  0.05  0.07  0.10  0.00  0.03  0.03  0.00  0.04  0.06  0.02  0.00 -  16 [ 0.02 ..  0.10]
  825-> ILE     51 HG2* - PRO     82 HD*  [ 1.80  5.65]  0.00  0.29  0.00  0.38  0.09  0.00  0.00  0.07  0.00  0.00  0.10  0.00  0.00  0.00  0.21  0.00  0.05  0.00  0.00  0.00 -   7 [ 0.05 ..  0.38]
  848-> ILE     53 HD1* - ASN     54 HN   [ 1.80  5.01]  0.00  0.11  0.00  0.00  0.00  0.09  0.12  0.00  0.00  0.09  0.00  0.00  0.01  0.00  0.00  0.05  0.00  0.00  0.00  0.07 -   8 [ 0.00 ..  0.12]
  865-> ILE     53 HG2* - GLY     55 HN   [ 1.80  3.62]  0.02  0.00  0.00  0.01  0.00  0.10  0.00  0.00  0.03  0.00  0.00  0.00  0.07  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   8 [ 0.00 ..  0.10]
  866-> ILE     53 HG2* - ASP     56 HN   [ 1.80  6.32]  0.00  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  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.12 ..  0.12]
  876-> ASN     54 HB*  - GLY     55 HN   [ 1.80  5.00]  0.00  0.00  0.00  0.00  0.00  0.00  0.11  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 [ 0.11 ..  0.11]
  877-> ASN     54 HN   - ASN     54 HB*  [ 1.80  3.00]  0.00  0.00  0.00  0.00  0.00  0.39  0.00  0.00  0.00  0.00  0.00  0.00  0.34  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.34 ..  0.39]
  883-> ASP     56 HA   - LYS     57 HG*  [ 1.80  5.83]  0.00  0.00  0.00  0.00  0.00  0.00  0.20  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.29  0.00  0.00  0.00 -   2 [ 0.20 ..  0.29]
  947-> ASP     60 HN   - ASN     97 HA   [ 1.80  5.00]  0.17  0.12  0.11  0.13  0.14  0.13  0.15  0.16  0.18  0.12  0.15  0.21  0.16  0.13  0.15  0.28  0.13  0.21  0.13  0.27 -  20 [ 0.11 ..  0.28]
  994-> LEU     64 HA   - LEU     64 HD2* [ 1.80  3.72]  0.01  0.04  0.31  0.34  0.00  0.03  0.35  0.07  0.25  0.08  0.08  0.05  0.30  0.25  0.05  0.07  0.11  0.00  0.11  0.12 -  18 [ 0.01 ..  0.35]
  995-> LEU     64 HA   - LEU     74 HD1* [ 1.80  5.97]  0.00  0.00  0.39  0.14  0.00  0.00  0.41  0.00  0.24  0.00  0.00  0.00  0.14  0.19  0.00  0.00  0.00  0.00  0.00  0.00 -   6 [ 0.14 ..  0.41]
 1000-> LEU     64 HB2  - SER    112 HB*  [ 1.80  6.05]  0.10  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.02  0.00  0.00  0.00  0.00  0.00  0.12  0.17  0.00  0.00  0.00 -   4 [ 0.02 ..  0.17]
 1007-> LEU     64 HD1* - ILE    109 HA   [ 1.80  3.97]  0.00  0.00  0.00  0.04  0.00  0.00  0.05  0.00  0.03  0.00  0.00  0.00  0.04  0.11  0.00  0.00  0.07  0.00  0.00  0.00 -   6 [ 0.03 ..  0.11]
 1016-> LEU     64 HD2* - SER    112 HA   [ 1.80  5.42]  0.00  0.00  0.01  0.06  0.00  0.00  0.12  0.00  0.01  0.00  0.00  0.00  0.07  0.09  0.00  0.00  0.00  0.00  0.00  0.00 -   6 [ 0.01 ..  0.12]
 1052-> LYS     65 HN   - THR    116 HG2* [ 1.80  5.00]  0.06  0.00  0.00  0.00  0.10  0.02  0.18  0.00  0.00  0.00  0.00  0.07  0.00  0.00  0.00  0.57  0.42  0.00  0.00  0.16 -   8 [ 0.02 ..  0.57]
 1082-> VAL     66 HG2* - LEU     74 HD2* [ 1.80  2.86]  0.00  0.00  0.00  0.00  0.00  0.00  0.11  0.07  0.00  0.00  0.00  0.15  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   3 [ 0.07 ..  0.15]
 1086-> VAL     66 HG2* - ILE     92 HD1* [ 1.80  3.20]  0.08  0.06  0.21  0.10  0.09  0.10  0.00  0.11  0.00  0.08  0.14  0.01  0.01  0.11  0.07  0.05  0.08  0.05  0.04  0.13 -  18 [ 0.01 ..  0.21]
 1116-> GLN     67 HE2* - LEU    115 HG   [ 1.80  5.04]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.03  0.11  0.00  0.00  0.00  0.01  0.00  0.00  0.00  0.00  0.00  0.00 -   3 [ 0.01 ..  0.11]
 1120-> GLN     67 HE22 - LEU     70 HD1* [ 1.80  4.82]  0.00  0.00  0.00  0.00  0.00  0.00  0.01  0.13  0.00  0.00  0.00  0.02  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   3 [ 0.01 ..  0.13]
 1142-> PRO     68 HA   - VAL     71 HG1* [ 1.80  3.29]  0.00  0.00  0.00  0.00  0.00  0.00  0.03  0.00  0.00  0.00  0.00  0.13  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.03 ..  0.13]
 1148-> PRO     68 HG*  - GLU     69 HN   [ 1.80  3.82]  0.12  0.07  0.00  0.00  0.00  0.00  0.08  0.00  0.00  0.09  0.14  0.15  0.00  0.00  0.00  0.07  0.00  0.08  0.00  0.00 -   8 [ 0.07 ..  0.15]
 1184-> VAL     71 HA   - LEU     74 HD1* [ 1.80  4.77]  0.00  0.04  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.03  0.04  0.41  0.00  0.00  0.00  0.00  0.12  0.00  0.00  0.00 -   5 [ 0.03 ..  0.41]
 1203-> VAL     71 HG2* - ARG     75 HG2  [ 1.80  4.85]  0.00  0.00  0.13  0.03  0.00  0.02  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.01  0.00  0.01  0.00  0.00  0.00  0.00 -   5 [ 0.01 ..  0.13]
 1235-> LEU     74 HA   - LYS     76 HE*  [ 1.80  5.26]  0.06  0.03  0.12  0.00  0.04  0.05  0.04  0.07  0.00  0.00  0.01  0.08  0.00  0.00  0.06  0.01  0.01  0.00  0.05  0.03 -  14 [ 0.01 ..  0.12]
 1242-> LEU     74 HA   - LEU    108 HD2* [ 1.80  3.34]  0.10  0.00  0.18  0.00  0.08  0.03  0.00  0.07  0.00  0.03  0.03  0.05  0.05  0.03  0.15  0.00  0.15  0.00  0.03  0.00 -  13 [ 0.03 ..  0.18]
 1245-> LEU     74 HB*  - LEU    108 HD1* [ 1.80  4.47]  0.00  0.08  0.01  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  0.11  0.00  0.00  0.00 -   5 [ 0.00 ..  0.11]
 1256-> LEU     74 HD2* - LYS     76 HN   [ 1.80  4.94]  0.00  0.81  0.00  0.00  0.00  0.00  0.11  0.00  0.00  0.02  0.02  0.16  0.00  0.00  0.00  0.00  0.78  0.00  0.00  0.00 -   6 [ 0.02 ..  0.81]
 1278-> ARG     75 HD*  - LYS     88 HD*  [ 1.80  5.00]  0.00  0.00  0.00  0.00  0.00  0.07  0.00  0.00  0.00  0.00  0.00  0.00  0.31  0.00  0.27  0.00  0.00  0.39  0.00  0.26 -   5 [ 0.07 ..  0.39]
 1284-> ARG     75 HE   - LYS     88 HD*  [ 1.80  5.48]  0.00  0.50  0.48  0.00  0.00  0.00  0.18  0.00  0.00  0.00  0.00  0.34  0.00  0.00  0.16  0.00  0.00  0.00  0.00  0.00 -   6 [ 0.00 ..  0.50]
 1314-> LYS     76 HD*  - LYS     77 HA   [ 1.80  4.09]  0.90  0.00  0.75  0.00  0.81  0.87  0.00  0.86  0.99  0.00  0.00  0.00  1.00  0.00  0.88  0.00  1.19  0.00  0.00  0.96 -  10 [ 0.75 ..  1.19]
 1315-> LYS     76 HD*  - LYS     77 HN   [ 1.80  4.43]  0.21  0.00  0.19  0.00  0.32  0.23  0.00  0.21  0.17  0.00  0.00  0.00  0.22  0.00  0.21  0.00  0.27  0.00  0.00  0.22 -  10 [ 0.17 ..  0.32]
 1340-> LYS     77 HG*  - LEU    108 HD2* [ 1.80  4.26]  0.04  0.09  0.02  0.08  0.05  0.05  0.00  0.00  0.06  0.08  0.13  0.11  0.01  0.03  0.03  0.08  0.00  0.04  0.08  0.07 -  17 [ 0.01 ..  0.13]
 1343-> LYS     77 HN   - ILE     80 HD1* [ 1.80  5.00]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.03  0.00  0.00  0.00  0.00  0.00  0.00  0.02  0.00  0.12  0.00 -   3 [ 0.02 ..  0.12]
 1370-> ILE     80 HA   - LEU    100 HD2* [ 1.80  4.13]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.01  0.10  0.00  0.00  0.00  0.00  0.00  0.11  0.00  0.00 -   4 [ 0.00 ..  0.11]
 1382-> ILE     80 HN   - ILE     80 HD1* [ 1.80  3.74]  0.09  0.14  0.00  0.00  0.05  0.00  0.00  0.09  0.00  0.00  0.00  0.13  0.06  0.11  0.02  0.00  0.00  0.18  0.00  0.09 -  10 [ 0.02 ..  0.18]
 1414-> ASN     87 HB*  - GLU     89 HN   [ 1.80  4.98]  0.00  0.07  0.00  0.00  0.00  0.00  0.00  0.00  0.13  0.00  0.00  0.00  0.00  0.00  0.02  0.00  0.00  0.00  0.00  0.00 -   3 [ 0.02 ..  0.13]
 1416-> ASN     87 HB*  - TRP     91 HE1  [ 1.80  5.53]  0.00  0.00  0.04  0.00  0.00  0.00  0.00  0.00  0.08  0.00  0.00  0.00  0.00  0.00  0.04  0.05  0.00  0.28  0.00  0.00 -   5 [ 0.04 ..  0.28]
 1422-> LYS     88 HG*  - ILE     92 HG2* [ 1.80  4.74]  0.00  0.00  0.00  0.05  0.00  0.02  0.00  0.00  0.22  0.00  0.01  0.00  0.09  0.13  0.00  0.00  0.00  0.02  0.04  0.00 -   8 [ 0.01 ..  0.22]
 1434-> GLU     89 HN   - GLU     89 HG*  [ 1.80  3.66]  0.00  0.00  0.00  0.46  0.00  0.00  0.35  0.00  0.00  0.35  0.00  0.00  0.00  0.00  0.00  0.50  0.00  0.34  0.00  0.00 -   5 [ 0.34 ..  0.50]
 1445-> TRP     91 HN   - ILE     92 HD1* [ 1.80  4.91]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.35  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.35 ..  0.35]
 1515-> PRO     99 HD*  - LEU    100 HG   [ 1.80  4.72]  0.42  0.34  0.00  0.48  0.00  0.00  0.00  0.43  0.00  0.39  0.43  0.30  0.44  0.00  0.47  0.00  0.46  0.00  0.28  0.00 -  11 [ 0.28 ..  0.48]
 1520-> LEU    100 HA   - GLY    101 HN   [ 1.80  3.04]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.10  0.36  0.00  0.00  0.00  0.00  0.12  0.00  0.00 -   3 [ 0.10 ..  0.36]
 1532-> LEU    100 HD1* - GLU    104 HA   [ 1.80  5.62]  0.00  0.00  0.00  0.00  0.03  0.07  0.06  0.00  0.12  0.00  0.00  0.01  0.00  0.00  0.00  0.09  0.00  0.00  0.00  0.03 -   7 [ 0.01 ..  0.12]
 1545-> LEU    100 HN   - LEU    100 HD2* [ 1.80  4.03]  0.00  0.00  0.00  0.10  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 [ 0.10 ..  0.10]
 1802-> LEU    118 HB*  - HIS    120 HN   [ 1.80  5.72]  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  0.14  0.03  0.00  0.00  0.02 -   3 [ 0.02 ..  0.14]
 1803-> LEU    118 HD2* - GLU    119 HG*  [ 1.80  5.46]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.28  0.14  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.14 ..  0.28]
 1808-> LEU    118 HN   - LEU    118 HG   [ 1.80  4.16]  0.00  0.00  0.00  0.00  0.00  0.06  0.00  0.00  0.09  0.24  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   3 [ 0.06 ..  0.24]
 1812-> GLU    119 HA   - HIS    120 HN   [ 1.80  2.89]  0.00  0.00  0.00  0.00  0.00  0.00  0.14  0.00  0.00  0.05  0.03  0.00  0.00  0.11  0.00  0.00  0.00  0.28  0.00  0.00 -   5 [ 0.03 ..  0.28]
 1815-> GLU    119 HG*  - HIS    120 HA   [ 1.80  5.89]  0.03  0.02  0.07  0.50  0.00  0.13  0.00  0.03  0.05  0.00  0.00  0.09  0.00  0.00  0.03  0.11  0.12  0.00  0.07  0.00 -  12 [ 0.02 ..  0.50]
 1821-> GLU    119 HN   - HIS    120 HB*  [ 1.80  5.44]  0.00  0.00  0.00  0.00  0.00  0.00  0.02  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.45  0.00  0.00 -   2 [ 0.02 ..  0.45]
 1822-> HIS    120 HA   - HIS    121 HN   [ 1.80  3.47]  0.00  0.10  0.02  0.00  0.00  0.00  0.00  0.00  0.11  0.00  0.00  0.10  0.00  0.00  0.11  0.00  0.00  0.00  0.00  0.00 -   5 [ 0.02 ..  0.11]
 1824-> HIS    121 HA   - HIS    122 HN   [ 1.80  3.00]  0.00  0.00  0.00  0.00  0.26  0.00  0.00  0.00  0.00  0.00  0.00  0.19  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.43 -   3 [ 0.19 ..  0.43]
 1825-> HIS    121 HB*  - HIS    122 HN   [ 1.80  3.42]  0.03  0.00  0.00  0.09  0.01  0.01  0.00  0.17  0.00  0.01  0.00  0.11  0.02  0.09  0.12  0.17  0.37  0.07  0.09  0.27 -  15 [ 0.01 ..  0.37]
 1852-> VAL     30 N    - ASP     19 O    [ 2.70  3.30]  0.00  0.00  0.00  0.00  0.04  0.00  0.00  0.00  0.12  0.00  0.02  0.00  0.00  0.00  0.00  0.00  0.03  0.00  0.00  0.00 -   4 [ 0.02 ..  0.12]
 1871-> ASP     63 HN   - LEU     42 O    [ 1.70  2.30]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.03  0.00  0.23  0.01  0.00  0.00  0.00  0.08  0.00  0.00  0.00 -   4 [ 0.01 ..  0.23]
   -------------------------------------------  
       Number of Violations greater than 0.10              10    14    17    13    10    12    19    10    16    13    10    23    11    10    14    12    17    15    12    12
   -------------------------------------------  

        ----  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:      5      9     11      7      6      6     13      6      9      8      8     15      2      8      8      7      9      7      6      6         7.80
      0.2 - 0.5  ang:      4      2      5      6      3      5      5      3      6      5      2      8      8      2      5      3      5      7      5      5         4.70
        > 0.5    ang:      1      3      1      0      1      1      1      1      1      0      0      0      1      0      1      2      3      1      1      1         1.00
        Total       :     46     74     61     61     58     57     65     59     73     61     55     66     65     63     56     50     55     61     54     50        59.50
 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  :  0.899  0.864  0.748  0.500  0.808  0.866  0.612  0.863  0.992  0.425  0.435  0.431  1.000  0.377  0.875  0.574  1.187  0.721  0.606  0.961        1.187
    Max  Intra Viol :  0.088  0.158  0.312  0.459  0.085  0.386  0.350  0.209  0.252  0.352  0.083  0.133  0.342  0.253  0.195  0.500  0.108  0.343  0.291  0.125        0.500
    Max  Seque Viol :  0.899  0.344  0.748  0.500  0.808  0.866  0.612  0.863  0.992  0.389  0.435  0.353  1.000  0.111  0.875  0.173  1.187  0.452  0.284  0.961        1.187
    Max Medium Viol :  0.334  0.810  0.171  0.164  0.370  0.239  0.205  0.196  0.220  0.157  0.317  0.431  0.439  0.133  0.440  0.142  0.779  0.379  0.606  0.059        0.810
    Max   Long Viol :  0.170  0.864  0.481  0.375  0.152  0.319  0.411  0.164  0.244  0.425  0.198  0.367  0.358  0.377  0.271  0.574  1.146  0.721  0.316  0.266        1.146
 Average Violation  :  0.002  0.003  0.003  0.003  0.002  0.002  0.003  0.002  0.003  0.002  0.002  0.003  0.003  0.002  0.003  0.002  0.004  0.003  0.002  0.002      0.00270
    Avge Intra Viol :  0.000  0.002  0.001  0.002  0.001  0.002  0.002  0.001  0.002  0.002  0.001  0.001  0.002  0.001  0.001  0.002  0.001  0.002  0.001  0.001      0.00137
    Avge Seque Viol :  0.002  0.003  0.002  0.001  0.001  0.001  0.002  0.002  0.002  0.001  0.002  0.004  0.002  0.001  0.002  0.001  0.003  0.002  0.004  0.001      0.00204
    Avge Mediu Viol :  0.004  0.002  0.004  0.003  0.004  0.004  0.004  0.004  0.004  0.002  0.002  0.004  0.005  0.001  0.005  0.001  0.007  0.003  0.002  0.005      0.00354
    Avge  Long Viol :  0.002  0.006  0.004  0.004  0.003  0.002  0.003  0.002  0.004  0.004  0.003  0.005  0.003  0.004  0.003  0.004  0.005  0.005  0.002  0.003      0.00358
 RMS     Violation  :  0.026  0.034  0.029  0.026  0.025  0.027  0.025  0.026  0.029  0.021  0.017  0.026  0.034  0.016  0.029  0.024  0.047  0.029  0.023  0.029      0.02777
   RMS   Intra      :  0.005  0.014  0.016  0.029  0.007  0.021  0.024  0.013  0.015  0.023  0.007  0.007  0.023  0.014  0.010  0.026  0.007  0.020  0.016  0.010      0.01688
   RMS   Sequential :  0.019  0.038  0.016  0.009  0.017  0.013  0.014  0.015  0.014  0.010  0.017  0.030  0.022  0.011  0.022  0.011  0.036  0.022  0.035  0.006      0.02102
   RMS Medium range :  0.051  0.019  0.044  0.035  0.045  0.046  0.035  0.050  0.052  0.022  0.023  0.028  0.058  0.008  0.051  0.011  0.069  0.028  0.018  0.055      0.04087
   RMS  Long range  :  0.013  0.046  0.030  0.027  0.018  0.019  0.025  0.013  0.022  0.025  0.018  0.030  0.023  0.023  0.020  0.033  0.053  0.039  0.016  0.021      0.02761


 Final --global-- Summary for 20 models, 1908 NOEs/model, 38160 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 
     Summ of viol :    102.865
    Summ sq. viol :     29.425
     Maximum viol :      1.187
     Average viol :    0.00270
        RMSD viol :    0.02777
   Std. Dev. viol :    0.02764
      RMS   Intra :    0.01688 
      RMS   Seque :    0.02102 
      RMS   Medi  :    0.04087 
      RMS   Long  :    0.02761

table of dihedral angle constraints violations

    2-> [ARG  A   3] PSI    -54.9  -14.9    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    4.3    0.0    0.0    0.0    0.0    0.0    0.0 -   1 [   0.0 ..    4.3] 
   24-> [TYR  A  14] PSI    -20.7   39.3    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    2.5 -   1 [   0.0 ..    2.5] 
   32-> [ASP  A  19] PSI    122.2 -177.8    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    5.3    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0 -   1 [   0.0 ..    5.3] 
   34-> [HIS  A  20] PSI     87.7  147.7    0.4    0.0   11.6    0.0    0.0    9.9    6.1    0.0    0.0    0.0    0.0    0.0    0.0    2.3    0.0    0.7    0.0    0.9    0.0    0.0 -   7 [   0.0 ..   11.6] 
   54-> [ARG  A  32] PSI    132.2 -167.8    0.0    0.0    0.8    2.4    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 -   2 [   0.0 ..    2.4] 
   55-> [HIS  A  33] PHI    -99.4  -39.4    0.0    2.8    0.0    0.0    0.0    0.0    0.0    9.3    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0 -   2 [   0.0 ..    9.3] 
   56-> [HIS  A  33] PSI    110.2  170.2    0.0    0.0    0.0    0.0    0.0    0.0    0.0    4.7    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0 -   1 [   0.0 ..    4.7] 
   61-> [ASN  A  36] PHI   -121.8  -61.8    0.0    0.0    0.0    4.9    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    1.0    0.0    0.0    0.0    0.0    0.0    0.0 -   2 [   0.0 ..    4.9] 
   62-> [ASN  A  36] PSI    -30.0   30.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0   10.2    0.0   11.7    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0 -   2 [   0.0 ..   11.7] 
   63-> [TYR  A  40] PHI   -158.3  -98.3    0.0    0.0    0.0    0.0    0.0    0.0    0.0    3.2    0.0    0.0    0.0    0.0    2.1    1.7    0.0    0.0    0.0    0.0    0.0    0.0 -   3 [   0.0 ..    3.2] 
   64-> [TYR  A  40] PSI    126.4 -173.6   15.8   16.4    5.3    0.0   15.4    3.1   11.6   16.0    0.0    8.4   33.5    0.0    1.9   11.0   15.3    9.5    4.2    0.0   11.9    7.4 -  16 [   0.0 ..   33.5] 
   65-> [ALA  A  41] PHI   -150.3  -90.3    0.0    0.0    0.0    0.0    4.8    0.0    4.6    5.6    0.0    0.0    0.0    0.0    0.0    0.0    5.5    0.0    0.0    0.0    9.2    2.0 -   6 [   0.0 ..    9.2] 
   68-> [LEU  A  42] PSI     94.9  154.9    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    1.7    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0 -   1 [   0.0 ..    1.7] 
   74-> [ASP  A  45] PSI    114.4  174.4   10.1    0.0    0.0    0.0    0.0    0.0    0.0    5.7    0.0    0.0    0.0    2.8    0.0    0.0    0.0    0.0    2.9    0.0    5.7    0.0 -   5 [   0.0 ..   10.1] 
   76-> [ILE  A  46] PSI     82.0  142.0   10.8   14.7   10.7   11.8   15.2   14.1   11.7   16.0   17.0   15.2   14.3   11.3   10.5   10.5   15.1   12.4   10.4    8.3   14.1   12.1 -  20 [   8.3 ..   17.0] 
   93-> [ASP  A  60] PHI   -149.5  -89.5    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.4    0.0    0.0    0.0    0.0    0.0    0.0    0.0    1.3    0.0    0.8    0.0    0.0 -   3 [   0.0 ..    1.3] 
  100-> [LEU  A  64] PSI    104.3  164.3    0.0    0.0    0.0    2.0    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 -   1 [   0.0 ..    2.0] 
  117-> [LEU  A  74] PHI    -84.8  -44.8    0.0    0.0    0.0    2.6    4.2    0.0    0.0    0.0    3.8    0.0    0.0    0.0    2.8    2.9    0.0    0.0    0.0    0.0    3.4    0.0 -   6 [   0.0 ..    4.2] 
  129-> [TYR  A  81] PHI   -123.5  -63.5    0.0    0.0    1.4    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    2.0    0.0    0.0    0.0    0.0    1.0    0.0    0.0    0.0 -   3 [   0.0 ..    2.0] 
  172-> [THR  A 116] PSI    -26.3   13.7    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    1.6 -   1 [   0.0 ..    1.6] 

    ----  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      1      2      4      2      2      2      5      2      1      0      3      3      4      1      2      2      1      3      4          2.20
   > 10.  degrees   :      3      2      2      1      2      1      2      2      2      1      3      1      1      2      2      1      1      0      2      1          1.60
        Total       :      4      3      5      5      4      3      4      8      4      2      3      4      4      7      3      4      4      3      5      5          4.20
 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  :   15.8   16.4   11.6   11.8   15.4   14.1   11.7   16.0   17.0   15.2   33.5   11.3   10.5   11.0   15.3   12.4   10.4    8.3   14.1   12.1         33.47
     Max   PHI Viol :    0.0    2.8    1.4    4.9    4.8    0.0    4.6    9.3    3.8    0.0    0.0    2.0    2.8    2.9    5.5    1.3    1.0    0.8    9.2    2.0          9.26
     Max   PSI Viol :   15.8   16.4   11.6   11.8   15.4   14.1   11.7   16.0   17.0   15.2   33.5   11.3   10.5   11.0   15.3   12.4   10.4    8.3   14.1   12.1         33.47
 Average Violation  :    0.2    0.2    0.2    0.1    0.2    0.2    0.2    0.4    0.2    0.1    0.3    0.1    0.1    0.2    0.2    0.1    0.1    0.1    0.3    0.1         0.184
     Avge  PHI Viol :  0.000  0.179  0.129  0.296  0.324  0.000  0.232  0.464  0.209  0.000  0.000  0.152  0.240  0.254  0.253  0.121  0.105  0.094  0.383  0.154         0.220
     Avge  PSI Viol :  0.657  0.602  0.574  0.436  0.596  0.561  0.585  0.703  0.579  0.524  0.832  0.474  0.379  0.571  0.595  0.512  0.451  0.326  0.608  0.524         0.565
 RMS     Violation  :  1.652  1.694  1.274  1.026  1.721  1.332  1.386  2.012  1.543  1.327  2.915  0.983  0.855  1.242  1.692  1.197  0.886  0.637  1.654  1.114         1.489
      RMS  PHI Viol :  0.000  0.297  0.154  0.600  0.692  0.000  0.500  1.221  0.405  0.000  0.000  0.215  0.380  0.375  0.595  0.136  0.103  0.081  1.056  0.221         0.487
      RMS  PSI Viol :  2.336  2.377  1.795  1.322  2.333  1.884  1.895  2.571  2.144  1.876  4.123  1.374  1.147  1.717  2.318  1.687  1.248  0.897  2.087  1.561         2.048


 Final --global-- Summary for 20 models, 172 ACOs/model, 3440 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 
      Summ. Viol. :     632.38
  Summ. Sq. Viol. :    7623.23
      Max.  Viol. :     33.472
      Avg.  Viol. :    0.18383
      RMS   Viol. :    1.48864
  Std. Dev. Viol. :    1.47725

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           0.911   0.860   0.868   0.189                                
   ASN  A   2   0.931   0.938   0.324   0.906                               2        2 
   ARG  A   3   0.997   0.995   0.715   0.985   0.193   0.606   1.000       3        3 
   GLN  A   4   0.999   0.998   0.998   1.000   0.998                       4        4 
   GLN  A   5   0.999   0.998   0.999   0.481   0.953                       5        5 
   PHE  A   6   1.000   0.999   0.998   0.796                               6        6 
   ILE  A   7   0.999   0.999   1.000   0.999                               7        7 
   ASP  A   8   1.000   0.999   0.939   0.966                               8        8 
   TYR  A   9   0.999   0.999   0.992   0.998                               9        9 
   ALA  A  10   1.000   1.000                                              10       10 
   GLN  A  11   0.997   0.998   0.998   0.849   0.915                      11       11 
   LYS  A  12   0.998   0.999   0.764   1.000   0.999   1.000              12       12 
   LYS  A  13   0.998   0.998   0.614   0.226   0.927   0.937              13       13 
   TYR  A  14   0.991   0.989   0.937   0.419                              14       14 
   ASP  A  15   0.996   0.996   0.891   0.947                              15       15 
   THR  A  16   0.993   0.988   0.796                                      16       16 
   LYS  A  17   0.991   0.987   0.555   1.000   1.000   1.000              17       17 
   PRO  A  18   0.997   0.991   0.967   0.937                              18       18 
   ASP  A  19   0.979   0.969   0.715   0.960                              19       19 
   HIS  A  20   0.982   0.953   0.350   0.416                              20       20 
   PRO  A  21   0.989   0.977   0.898   0.825                              21       21 
   TRP  A  22   0.996   0.993   0.998   0.736                              22       22 
   GLU  A  23   0.999   0.998   1.000   0.726   1.000                      23       23 
   LYS  A  24   0.994   0.997   1.000   0.927   0.422   0.997              24       24 
   PHE  A  25   0.996   0.998   1.000   1.000                              25       25 
   PRO  A  26   0.999   0.998   0.957   0.909                              26       26 
   ASP  A  27   0.998   0.995   0.836   0.998                              27       27 
   TYR  A  28   0.994   0.985   0.998   0.962                              28       28 
   ALA  A  29   0.985   0.994                                              29       29 
   VAL  A  30   0.996   0.999   0.999                                      30       30 
   PHE  A  31   0.995   0.987   0.997   0.104                              31       31 
   ARG  A  32   0.991   0.986   0.220   0.926   0.799   0.806   1.000      32       32 
   HIS  A  33   0.986   0.987   0.834   0.519                              33       33 
   SER  A  34   0.995   0.992   0.921                                      34       34 
   ASP  A  35   0.985   0.988   0.998   0.952                              35       35 
   ASN  A  36   0.986   0.932   0.511   0.338                              36       36 
   ASP  A  37   0.841   0.388   0.757   0.921                                        
   LYS  A  38   0.511   0.168   0.930   0.930   0.999   0.921                        
   TRP  A  39   0.452   0.851   0.424   0.614                                        
   TYR  A  40   0.940   0.989   0.676   0.991                              40       40 
   ALA  A  41   0.989   0.989                                              41       41 
   LEU  A  42   0.976   0.975   0.298   0.561                              42       42 
   LEU  A  43   0.994   0.988   0.961   0.953                              43       43 
   MET  A  44   0.993   0.992   0.904   0.691   0.909                      44       44 
   ASP  A  45   0.998   0.988   0.795   0.921                              45       45 
   ILE  A  46   0.999   0.999   1.000   1.000                              46       46 
   PRO  A  47   0.998   0.998   0.958   0.916                              47       47 
   ALA  A  48   0.999   0.999                                              48       48 
   GLU  A  49   1.000   0.999   0.427   0.999   0.951                      49       49 
   LYS  A  50   1.000   1.000   0.999   0.864   1.000   1.000              50       50 
   ILE  A  51   0.996   0.999   1.000   1.000                              51       51 
   GLY  A  52   0.999   0.999                                              52       52 
   ILE  A  53   0.999   0.997   0.999   0.999                              53       53 
   ASN  A  54   0.783   0.427   0.637   0.944                                        
   GLY  A  55   0.518   0.539                                                        
   ASP  A  56   0.414   0.968   0.519   0.988                                        
   LYS  A  57   0.912   0.986   0.309   0.603   0.999   0.999              57       57 
   ARG  A  58   0.995   0.991   0.996   0.629   0.533   0.631   1.000      58       58 
   VAL  A  59   0.999   0.999   1.000                                      59       59 
   ASP  A  60   0.996   0.999   0.998   0.945                              60       60 
   VAL  A  61   1.000   0.999   1.000                                      61       61 
   ILE  A  62   0.999   0.995   1.000   1.000                              62       62 
   ASP  A  63   0.979   0.982   0.654   0.909                              63       63 
   LEU  A  64   0.976   0.976   0.433   0.414                              64       64 
   LYS  A  65   0.998   0.997   0.874   0.919   0.708   0.752              65       65 
   VAL  A  66   1.000   0.999   0.999                                      66       66 
   GLN  A  67   0.998   0.998   0.998   0.927   0.800                      67       67 
   PRO  A  68   0.999   0.999   0.930   0.844                              68       68 
   GLU  A  69   0.997   0.998   0.678   0.674   0.917                      69       69 
   LEU  A  70   0.999   0.998   1.000   1.000                              70       70 
   VAL  A  71   0.999   1.000   0.999                                      71       71 
   GLY  A  72   0.999   0.997                                              72       72 
   SER  A  73   0.999   0.994   0.690                                      73       73 
   LEU  A  74   0.988   0.986   0.677   0.827                              74       74 
   ARG  A  75   0.999   0.997   0.814   0.994   0.647   0.734   1.000      75       75 
   LYS  A  76   0.995   0.997   0.986   0.670   0.997   0.997              76       76 
   LYS  A  77   0.998   0.996   0.998   0.613   0.999   0.893              77       77 
   PRO  A  78   0.998   0.998   0.918   0.820                              78       78 
   GLY  A  79   0.998   0.993                                              79       79 
   ILE  A  80   0.996   0.999   0.996   0.505                              80       80 
   TYR  A  81   0.999   0.996   0.999   0.899                              81       81 
   PRO  A  82   0.998   0.995   0.929   0.843                              82       82 
   ALA  A  83   0.994   0.970                                              83       83 
   TYR  A  84   0.885   0.411   0.527   0.657                                        
   HIS  A  85   0.432   0.486   0.376   0.731                                        
   MET  A  86   0.682   0.119   0.766   0.415   0.346                                
   ASN  A  87   0.215   0.161   0.934   0.885                                        
   LYS  A  88   0.314   0.673   0.996   0.998   0.238   0.997                        
   GLU  A  89   0.778   0.952   0.220   0.750   0.975                                
   HIS  A  90   0.974   0.968   0.998   0.817                              90       90 
   TRP  A  91   0.996   0.996   0.995   0.697                              91       91 
   ILE  A  92   0.999   0.999   0.999   0.925                              92       92 
   THR  A  93   0.996   0.996   0.859                                      93       93 
   VAL  A  94   0.998   0.999   1.000                                      94       94 
   LEU  A  95   1.000   1.000   0.999   1.000                              95       95 
   LEU  A  96   0.999   0.998   0.999   0.998                              96       96 
   ASN  A  97   0.999   0.997   0.999   0.988                              97       97 
   GLY  A  98   0.997   0.987                                              98       98 
   PRO  A  99   0.993   0.925   0.967   0.939                              99       99 
   LEU  A 100   0.901   0.797   0.371   0.251                                        
   GLY  A 101   0.826   0.990                                                      101 
   ALA  A 102   1.000   0.998                                             102      102 
   LYS  A 103   1.000   0.999   1.000   1.000   1.000   1.000             103      103 
   GLU  A 104   1.000   0.999   0.999   0.389   0.908                     104      104 
   ILE  A 105   0.999   0.999   1.000   1.000                             105      105 
   HIS  A 106   0.999   0.999   1.000   0.998                             106      106 
   SER  A 107   1.000   1.000   0.568                                     107      107 
   LEU  A 108   0.999   0.999   1.000   0.998                             108      108 
   ILE  A 109   1.000   0.999   1.000   1.000                             109      109 
   GLU  A 110   1.000   0.999   0.999   0.705   0.941                     110      110 
   ASP  A 111   1.000   1.000   1.000   1.000                             111      111 
   SER  A 112   0.999   0.998   0.183                                     112      112 
   PHE  A 113   0.999   0.998   0.867   0.883                             113      113 
   GLN  A 114   0.999   0.999   1.000   0.782   0.972                     114      114 
   LEU  A 115   0.998   0.997   0.995   0.909                             115      115 
   THR  A 116   0.997   0.994   1.000                                     116      116 
   ARG  A 117   0.988   0.849   0.811   0.999   0.684   0.771   1.000              117 
   LEU  A 118   0.770   0.841   0.725   0.872                                        
   GLU  A 119   0.317   0.512   0.925   0.999   0.999                                
   HIS  A 120   0.415   0.134   0.045   0.384                                        
   HIS  A 121   0.684   0.611   0.413   0.806                                        
   HIS  A 122   0.655   0.151   0.427   0.299                                        
   HIS  A 123   0.594   0.476   0.348   0.567                                        
   HIS  A 124   0.656   0.140   0.230   0.372                                        
   HIS  A 125   0.632           0.503   0.217

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 `PSR293_R3Cons_em_bcr3.pdb' 
 > 
 > Kabsch RMSD of backbone atoms in res. A[2..36],A[40..53],A[57..83],A[90..99],A[102..116],for model  1 is: 0.677
 > Kabsch RMSD of backbone atoms in res. A[2..36],A[40..53],A[57..83],A[90..99],A[102..116],for model  2 is: 0.744
 > Kabsch RMSD of backbone atoms in res. A[2..36],A[40..53],A[57..83],A[90..99],A[102..116],for model  3 is: 1.531
 > Kabsch RMSD of backbone atoms in res. A[2..36],A[40..53],A[57..83],A[90..99],A[102..116],for model  4 is: 0.650
 > Kabsch RMSD of backbone atoms in res. A[2..36],A[40..53],A[57..83],A[90..99],A[102..116],for model  5 is: 0.711
 > Kabsch RMSD of backbone atoms in res. A[2..36],A[40..53],A[57..83],A[90..99],A[102..116],for model  6 is: 0.911
 > Kabsch RMSD of backbone atoms in res. A[2..36],A[40..53],A[57..83],A[90..99],A[102..116],for model  7 is: 0.703
 > Kabsch RMSD of backbone atoms in res. A[2..36],A[40..53],A[57..83],A[90..99],A[102..116],for model  8 is: 0.789
 > Kabsch RMSD of backbone atoms in res. A[2..36],A[40..53],A[57..83],A[90..99],A[102..116],for model  9 is: 1.138
 > Kabsch RMSD of backbone atoms in res. A[2..36],A[40..53],A[57..83],A[90..99],A[102..116],for model 10 is: 0.841
 > Kabsch RMSD of backbone atoms in res. A[2..36],A[40..53],A[57..83],A[90..99],A[102..116],for model 11 is: 0.780
 > Kabsch RMSD of backbone atoms in res. A[2..36],A[40..53],A[57..83],A[90..99],A[102..116],for model 12 is: 0.826
 > Kabsch RMSD of backbone atoms in res. A[2..36],A[40..53],A[57..83],A[90..99],A[102..116],for model 13 is: 0.513 (*)
 > Kabsch RMSD of backbone atoms in res. A[2..36],A[40..53],A[57..83],A[90..99],A[102..116],for model 14 is: 0.819
 > Kabsch RMSD of backbone atoms in res. A[2..36],A[40..53],A[57..83],A[90..99],A[102..116],for model 15 is: 1.201
 > Kabsch RMSD of backbone atoms in res. A[2..36],A[40..53],A[57..83],A[90..99],A[102..116],for model 16 is: 0.818
 > Kabsch RMSD of backbone atoms in res. A[2..36],A[40..53],A[57..83],A[90..99],A[102..116],for model 17 is: 0.759
 > Kabsch RMSD of backbone atoms in res. A[2..36],A[40..53],A[57..83],A[90..99],A[102..116],for model 18 is: 0.864
 > Kabsch RMSD of backbone atoms in res. A[2..36],A[40..53],A[57..83],A[90..99],A[102..116],for model 19 is: 0.981
 > Kabsch RMSD of backbone atoms in res. A[2..36],A[40..53],A[57..83],A[90..99],A[102..116],for model 20 is: 0.550
 >
 > Kabsch RMSD statistics for 20 structures: 
 > Mean RMSD using as refer. str. `average' for res.[2..36],[40..53],[57..83],[90..99],[102..116], is: 0.840 
 > Range of RMSD values to reference struct. is 0.513 to 1.531 


 > Kabsch RMSD of heavy atoms in res. A[2..36],A[40..53],A[57..83],A[90..99],A[102..116],for model  1 is: 1.151
 > Kabsch RMSD of heavy atoms in res. A[2..36],A[40..53],A[57..83],A[90..99],A[102..116],for model  2 is: 1.201
 > Kabsch RMSD of heavy atoms in res. A[2..36],A[40..53],A[57..83],A[90..99],A[102..116],for model  3 is: 1.850
 > Kabsch RMSD of heavy atoms in res. A[2..36],A[40..53],A[57..83],A[90..99],A[102..116],for model  4 is: 0.992 (*)
 > Kabsch RMSD of heavy atoms in res. A[2..36],A[40..53],A[57..83],A[90..99],A[102..116],for model  5 is: 1.190
 > Kabsch RMSD of heavy atoms in res. A[2..36],A[40..53],A[57..83],A[90..99],A[102..116],for model  6 is: 1.389
 > Kabsch RMSD of heavy atoms in res. A[2..36],A[40..53],A[57..83],A[90..99],A[102..116],for model  7 is: 1.100
 > Kabsch RMSD of heavy atoms in res. A[2..36],A[40..53],A[57..83],A[90..99],A[102..116],for model  8 is: 1.152
 > Kabsch RMSD of heavy atoms in res. A[2..36],A[40..53],A[57..83],A[90..99],A[102..116],for model  9 is: 1.487
 > Kabsch RMSD of heavy atoms in res. A[2..36],A[40..53],A[57..83],A[90..99],A[102..116],for model 10 is: 1.197
 > Kabsch RMSD of heavy atoms in res. A[2..36],A[40..53],A[57..83],A[90..99],A[102..116],for model 11 is: 1.266
 > Kabsch RMSD of heavy atoms in res. A[2..36],A[40..53],A[57..83],A[90..99],A[102..116],for model 12 is: 1.317
 > Kabsch RMSD of heavy atoms in res. A[2..36],A[40..53],A[57..83],A[90..99],A[102..116],for model 13 is: 1.009
 > Kabsch RMSD of heavy atoms in res. A[2..36],A[40..53],A[57..83],A[90..99],A[102..116],for model 14 is: 1.160
 > Kabsch RMSD of heavy atoms in res. A[2..36],A[40..53],A[57..83],A[90..99],A[102..116],for model 15 is: 1.627
 > Kabsch RMSD of heavy atoms in res. A[2..36],A[40..53],A[57..83],A[90..99],A[102..116],for model 16 is: 1.157
 > Kabsch RMSD of heavy atoms in res. A[2..36],A[40..53],A[57..83],A[90..99],A[102..116],for model 17 is: 1.249
 > Kabsch RMSD of heavy atoms in res. A[2..36],A[40..53],A[57..83],A[90..99],A[102..116],for model 18 is: 1.267
 > Kabsch RMSD of heavy atoms in res. A[2..36],A[40..53],A[57..83],A[90..99],A[102..116],for model 19 is: 1.323
 > Kabsch RMSD of heavy atoms in res. A[2..36],A[40..53],A[57..83],A[90..99],A[102..116],for model 20 is: 1.054
 >
 > Kabsch RMSD statistics for 20 structures: 
 > Mean RMSD using as refer. str. `average' for res.[2..36],[40..53],[57..83],[90..99],[102..116], is: 1.257 
 > Range of RMSD values to reference struct. is 0.992 to 1.850

Text report of backbone RMSD for entire protein

 > Kabsch RMSD of backb atoms in res. *[1..125],for model  1 is: 1.836
 > Kabsch RMSD of backb atoms in res. *[1..125],for model  2 is: 1.989
 > Kabsch RMSD of backb atoms in res. *[1..125],for model  3 is: 2.342
 > Kabsch RMSD of backb atoms in res. *[1..125],for model  4 is: 2.124
 > Kabsch RMSD of backb atoms in res. *[1..125],for model  5 is: 1.769
 > Kabsch RMSD of backb atoms in res. *[1..125],for model  6 is: 2.053
 > Kabsch RMSD of backb atoms in res. *[1..125],for model  7 is: 2.422
 > Kabsch RMSD of backb atoms in res. *[1..125],for model  8 is: 2.273
 > Kabsch RMSD of backb atoms in res. *[1..125],for model  9 is: 2.755
 > Kabsch RMSD of backb atoms in res. *[1..125],for model 10 is: 2.529
 > Kabsch RMSD of backb atoms in res. *[1..125],for model 11 is: 2.732
 > Kabsch RMSD of backb atoms in res. *[1..125],for model 12 is: 2.147
 > Kabsch RMSD of backb atoms in res. *[1..125],for model 13 is: 1.273 (*)
 > Kabsch RMSD of backb atoms in res. *[1..125],for model 14 is: 1.982
 > Kabsch RMSD of backb atoms in res. *[1..125],for model 15 is: 1.692
 > Kabsch RMSD of backb atoms in res. *[1..125],for model 16 is: 2.229
 > Kabsch RMSD of backb atoms in res. *[1..125],for model 17 is: 1.338
 > Kabsch RMSD of backb atoms in res. *[1..125],for model 18 is: 1.400
 > Kabsch RMSD of backb atoms in res. *[1..125],for model 19 is: 2.220
 > Kabsch RMSD of backb atoms in res. *[1..125],for model 20 is: 3.054
 >
 > Kabsch RMSD statistics for 20 structures: 
 > Mean RMSD using as refer. str. `average' for res.[1..125], is: 2.108 
 > Range of RMSD values to reference struct. is 1.273 to 3.054

Text report of heavy atom RMSD for entire protein

 > Kabsch RMSD of heavy atoms in res. *[1..125],for model  1 is: 2.370
 > Kabsch RMSD of heavy atoms in res. *[1..125],for model  2 is: 2.479
 > Kabsch RMSD of heavy atoms in res. *[1..125],for model  3 is: 2.950
 > Kabsch RMSD of heavy atoms in res. *[1..125],for model  4 is: 2.617
 > Kabsch RMSD of heavy atoms in res. *[1..125],for model  5 is: 2.383
 > Kabsch RMSD of heavy atoms in res. *[1..125],for model  6 is: 2.661
 > Kabsch RMSD of heavy atoms in res. *[1..125],for model  7 is: 2.970
 > Kabsch RMSD of heavy atoms in res. *[1..125],for model  8 is: 2.953
 > Kabsch RMSD of heavy atoms in res. *[1..125],for model  9 is: 3.405
 > Kabsch RMSD of heavy atoms in res. *[1..125],for model 10 is: 2.995
 > Kabsch RMSD of heavy atoms in res. *[1..125],for model 11 is: 3.426
 > Kabsch RMSD of heavy atoms in res. *[1..125],for model 12 is: 2.871
 > Kabsch RMSD of heavy atoms in res. *[1..125],for model 13 is: 2.002 (*)
 > Kabsch RMSD of heavy atoms in res. *[1..125],for model 14 is: 2.607
 > Kabsch RMSD of heavy atoms in res. *[1..125],for model 15 is: 2.457
 > Kabsch RMSD of heavy atoms in res. *[1..125],for model 16 is: 2.712
 > Kabsch RMSD of heavy atoms in res. *[1..125],for model 17 is: 2.078
 > Kabsch RMSD of heavy atoms in res. *[1..125],for model 18 is: 2.089
 > Kabsch RMSD of heavy atoms in res. *[1..125],for model 19 is: 2.871
 > Kabsch RMSD of heavy atoms in res. *[1..125],for model 20 is: 3.682
 >
 > Kabsch RMSD statistics for 20 structures: 
 > Mean RMSD using as refer. str. `average' for res.[1..125], is: 2.729 
 > Range of RMSD values to reference struct. is 2.002 to 3.682

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	2.1	0.8	0.8
All heavy atoms	2.7	1.3	1.3

Contact Map (constraints list and 3D Coordinates)

JPEG image of Contact Map for Constraints

PSR293_R3Cons_em_bcr3.upl.jpg

JPEG image of Contact Map for Coordinates

PSR293_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  >>>----------+
 |                                                                            |
 | PSR293_R3Cons_em_bcr3_020.rin   0.0                          2040 residues |
 |                                                                            |
 | Ramachandran plot:   95.6% core    4.4% allow    0.0% gener    0.0% disall |
 |                                                                            |
+| All Ramachandrans:   12 labelled residues (out of2040)                     |
+| Chi1-chi2 plots:     24 labelled residues (out of1400)                     |

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
2	-1.60
3	0.90
4	0.96
5	1.08
6	1.19
7	0.92
8	1.26
9	1.21
10	0.96
11	0.91
12	0.89
13	-0.01
14	-0.96
15	-0.49
16	0.38
17	-0.34
18	0.28
19	-1.16
20	-1.17
21	-0.27
22	-0.70
23	0.23
24	-0.17
25	-1.32
26	0.02
27	0.19
28	-0.16
29	-0.79
30	0.36
31	-0.05
32	-0.42
33	-0.46
34	0.08
35	0.01
36	-0.58
40	-0.89
41	-1.03
42	-0.86
43	-0.21
44	-0.50
45	-0.18
46	-0.50
47	0.40
48	0.54
49	0.56
50	0.39
51	-1.49
52	0.21
53	0.16
57	-0.42
58	-0.44
59	-0.05
60	-0.38
61	-0.07
62	-0.44
63	-0.52
64	-0.46
65	-0.33
66	-0.11
67	-0.46
68	0.45
69	-0.25
70	-0.70
71	0.54
72	1.08
73	0.73
74	0.16
75	0.65
76	0.05
77	-0.24
78	0.46
79	0.81
80	0.32
81	0.53
82	0.33
83	-0.45
90	-0.94
91	-0.07
92	-0.31
93	0.11
94	0.19
95	-0.22
96	-0.18
97	0.48
98	-0.36
99	-1.05
101	-0.36
102	0.87
103	1.12
104	0.97
105	0.94
106	1.28
107	1.19
108	0.96
109	0.98
110	1.02
111	1.25
112	1.10
113	1.16
114	1.01
115	0.54
116	-0.13
#Reported_Model_Average	0.099
#Overall_Average_Reported	0.099

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
2	-0.74
3	0.74
4	0.51
5	0.90
6	0.74
7	0.91
8	1.15
9	0.91
10	0.96
11	0.98
12	1.04
13	0.05
14	-0.30
15	-0.03
16	0.36
17	0.38
18	0.28
19	-0.45
20	-0.19
21	-0.27
22	-0.40
23	-0.08
24	0.50
25	-0.26
26	0.02
27	0.61
28	-1.13
29	-0.79
30	0.44
31	0.14
32	-0.02
33	-0.18
34	0.41
35	0.34
36	-0.46
40	-0.21
41	-1.03
42	-1.16
43	-0.94
44	-0.74
45	-0.06
46	-0.20
47	0.40
48	0.54
49	0.58
50	0.33
51	-0.69
52	0.21
53	0.49
57	-0.04
58	0.05
59	-0.18
60	0.13
61	-0.30
62	-0.18
63	-0.07
64	-1.70
65	0.01
66	-0.15
67	0.31
68	0.45
69	0.11
70	0.09
71	-0.24
72	1.08
73	0.61
74	-1.22
75	0.67
76	-0.69
77	0.27
78	0.46
79	0.81
80	0.06
81	0.44
82	0.33
83	-0.45
90	0.00
91	-0.29
92	-0.23
93	0.35
94	0.47
95	0.12
96	0.36
97	0.62
98	-0.36
99	-1.05
101	-0.36
102	0.87
103	1.21
104	0.93
105	0.92
106	0.79
107	0.66
108	0.91
109	0.94
110	0.75
111	1.19
112	0.71
113	0.66
114	1.06
115	0.68
116	0.17
#Reported_Model_Average	0.170
#Overall_Average_Reported	0.170

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
2	0.41	0.51	0.51	0.51	0.51	0.41	0.51	0.51	0.51	0.51	0.51	0.51	0.41	0.51	0.41	0.51	0.41	0.41	0.51	0.41
3	1.10	1.10	1.10	1.10	1.10	0.56	0.56	0.56	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	0.56	1.10	1.10
4	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.29	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62
5	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
6	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
7	0.55	-0.02	0.55	-0.02	0.55	0.55	0.55	0.55	1.11	0.55	-0.02	-0.02	0.55	-0.02	0.55	-0.02	0.55	0.55	0.55	0.55
8	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.44	0.29	0.29	0.44	0.29	0.29	0.29	0.29	0.29
9	0.86	0.86	0.27	0.86	0.86	0.86	0.86	0.86	0.86	0.86	0.86	0.86	0.86	0.86	0.86	0.86	0.86	0.86	0.86	0.86
10	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
11	0.62	0.62	0.62	0.62	0.62	0.62	0.62	-0.32	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62
12	0.66	0.07	0.07	0.66	0.07	0.66	0.07	0.07	0.07	0.66	0.07	0.66	0.07	0.07	0.66	0.07	0.66	0.66	0.66	0.07
13	0.66	0.66	0.66	0.66	0.66	0.56	0.66	0.66	-0.94	-0.50	0.66	0.66	0.66	0.66	-0.94	0.66	0.56	-0.94	0.56	0.66
14	0.86	0.27	0.27	0.27	0.86	0.86	0.27	0.86	0.27	0.86	0.86	0.86	0.27	0.27	0.50	0.86	0.86	0.86	0.86	0.27
15	0.23	0.23	0.23	0.23	0.23	0.23	0.23	0.23	0.23	0.23	0.23	0.23	0.23	0.23	0.23	0.23	0.23	0.23	0.23	0.51
16	0.08	0.08	0.55	0.08	0.55	0.55	0.08	0.08	0.55	0.08	0.08	0.08	0.08	0.55	0.08	0.55	0.08	0.08	0.55	0.08
17	0.47	-0.10	0.47	-0.10	-0.10	-0.10	0.47	-0.10	0.47	-0.10	-0.10	-0.10	-0.10	-0.10	-0.10	-0.10	0.47	-0.10	-0.10	-0.10
18	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64
19	0.23	0.51	0.23	0.23	0.23	0.51	0.23	0.51	0.23	0.23	0.51	0.23	0.23	0.23	0.23	0.23	0.23	0.51	0.51	0.23
20	0.20	0.20	0.20	0.20	0.54	0.20	0.20	0.20	0.54	0.20	0.20	0.54	0.20	0.20	0.54	0.20	0.54	0.20	0.20	0.20
21	0.44	0.44	0.44	0.44	0.64	0.44	0.44	0.64	0.64	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.64	0.44
22	1.12	1.12	1.12	1.12	-0.42	1.12	1.12	-0.42	-0.42	1.12	1.12	-0.42	-0.42	1.12	-0.42	1.12	-0.42	1.12	-0.42	1.12
23	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04
24	0.47	-0.10	-0.10	-0.10	0.47	0.47	0.47	0.47	0.47	0.47	-0.10	0.47	-0.10	-0.10	0.47	-0.10	-0.10	0.47	0.47	-0.10
25	-0.84	-1.29	0.71	-0.84	-0.84	-1.29	-0.84	-0.84	-0.84	-1.29	-0.84	-0.84	-0.84	-0.84	-0.84	-0.84	-0.84	-0.84	-0.84	-0.84
26	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.25	0.44	0.44	0.44	0.44	0.44	0.25	0.44	0.25	0.44	0.44	0.44
27	0.51	0.23	0.23	0.51	0.23	0.23	0.23	0.23	0.23	0.23	0.23	0.23	0.23	0.23	0.51	0.23	0.51	0.23	0.51	0.51
28	1.14	0.52	1.14	1.14	1.14	1.14	0.52	1.14	1.14	1.14	1.14	1.14	1.14	0.52	1.14	1.14	1.25	1.14	1.14	1.25
29	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59
30	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	1.18	1.18	0.44	0.44	0.71	0.44	0.44	0.44	1.18	0.44	0.71
31	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96
32	0.71	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.71	0.24	0.24
33	-0.61	0.54	1.04	1.04	0.54	1.04	0.54	1.04	1.04	1.04	1.04	1.04	1.04	1.04	0.54	-0.61	0.54	0.54	0.54	-0.61
34	0.34	0.34	0.34	0.34	0.34	0.17	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34
35	0.23	0.23	0.23	0.51	0.23	0.51	0.23	0.23	0.23	0.51	0.23	0.23	0.23	0.51	0.51	0.23	0.23	0.23	0.34	0.51
36	-0.26	-0.26	-0.56	-0.26	-0.26	0.51	-0.26	0.09	-0.26	-0.26	-0.26	-0.26	0.51	-0.26	0.51	-0.56	0.51	-0.26	0.51	-0.26
40	1.25	-0.43	1.25	1.25	1.14	-0.43	1.14	1.14	1.14	1.14	1.25	1.25	1.14	1.14	1.25	-0.43	1.14	-0.43	1.14	1.14
41	0.59	0.59	0.59	0.59	0.59	-0.52	0.59	-0.52	0.59	0.59	-0.52	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59
42	0.36	0.36	1.07	1.07	0.14	0.36	0.36	1.07	0.36	1.07	0.36	1.07	0.36	1.07	0.14	0.36	0.36	0.36	0.14	1.07
43	1.07	0.36	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	0.36	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07
44	0.51	0.51	0.51	0.51	0.51	0.51	0.49	0.49	0.51	0.51	0.49	0.51	0.51	0.51	0.49	0.51	0.51	0.49	0.51	0.49
45	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.61	-0.03	-0.03	-0.03	-0.03
46	1.50	1.50	1.50	1.07	1.07	1.07	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.07	1.07	1.50	1.50
47	-0.65	-0.65	-0.65	-0.65	-0.65	-1.01	-0.65	-0.65	-0.65	-0.65	-0.65	-0.65	-0.65	-0.65	-0.65	-0.65	-0.65	-0.65	-0.65	-0.65
48	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49
49	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28
50	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
51	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93
52	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
53	-0.28	-0.28	-0.94	-0.28	-0.94	-0.28	-0.28	-0.28	-0.28	-0.28	-0.54	-0.28	-0.28	-0.94	-0.94	-0.94	-0.94	-0.94	-0.28	-0.94
57	0.47	-0.10	0.47	0.47	0.47	0.47	0.47	0.47	-0.10	-0.10	0.47	0.47	0.47	0.47	-0.10	-0.10	-0.10	0.47	0.47	-0.10
58	0.84	0.19	0.19	0.19	0.19	-1.12	0.19	0.19	0.19	0.19	0.19	0.19	-1.12	0.19	-1.12	0.19	0.84	0.19	0.84	0.19
59	0.71	0.44	1.18	0.71	1.18	0.44	1.18	0.71	0.44	0.44	1.18	1.18	0.44	1.18	0.44	0.44	0.44	1.18	1.18	0.44
60	-0.03	-0.03	-0.61	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.61	-0.61	-0.03	-0.03	-0.61	-0.03
61	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18
62	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50
63	-0.61	-0.61	-2.08	-0.61	-2.08	-2.08	-0.76	-2.08	-0.61	-2.08	-2.08	-1.80	-2.08	-2.08	-2.08	-0.61	-2.08	-0.61	-0.61	-2.08
64	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	0.36	0.36	1.07	1.07	1.07	0.36	1.07	1.07	1.07	0.36	1.07
65	0.35	0.35	-2.01	0.35	0.55	0.35	-0.83	0.35	0.35	0.35	0.35	0.35	0.35	0.35	0.35	0.35	-0.83	0.35	0.55	0.55
66	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	0.66	1.00	1.00	1.00	1.00	0.66	1.00	1.00	1.00	0.66	1.00	1.00
67	-0.57	0.25	-0.57	-0.57	-0.57	-0.57	-0.57	-0.57	-0.57	-0.57	-0.57	-0.57	-0.57	-0.57	-0.57	0.25	-0.57	-0.57	-0.57	-0.57
68	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	0.64	0.44
69	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.28	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04
70	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.33	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.33	-0.68	-0.33	-0.68	-0.68
71	0.30	0.30	0.30	0.30	0.30	0.30	-0.62	0.30	0.30	0.30	0.30	0.30	0.30	0.30	-0.62	0.30	0.41	0.30	0.30	0.30
72	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
73	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	-0.38	0.16	0.16	0.16
74	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
75	0.56	-0.51	1.10	-0.51	-0.51	0.56	0.56	-0.51	1.10	-0.51	0.56	1.10	-0.51	1.10	0.56	1.10	1.10	-0.51	-0.51	-0.51
76	0.66	0.66	0.66	0.66	0.07	0.07	0.66	0.66	0.07	0.66	0.66	0.66	0.07	0.66	0.66	0.66	0.66	0.66	0.66	0.07
77	0.47	0.08	0.47	0.47	0.47	0.47	0.08	0.47	0.47	0.47	-0.72	0.08	0.47	0.47	0.47	0.08	0.47	0.08	-0.72	0.47
78	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	0.44	0.25	0.25	0.25
79	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
80	1.50	1.50	1.07	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50
81	1.09	1.09	1.09	1.09	1.09	1.09	1.09	1.09	1.09	1.09	1.09	1.09	1.09	1.09	1.09	1.09	1.30	1.09	1.09	1.09
82	-0.65	-0.65	-1.01	-0.65	-0.65	-1.01	-0.65	-1.01	-0.65	-1.01	-1.01	-1.01	-0.65	-1.01	-1.01	-0.65	-0.65	-0.65	-1.01	-0.65
83	0.49	-0.25	-0.25	-0.25	0.49	0.49	-0.25	0.49	-0.25	0.49	0.49	0.49	0.49	-0.25	-0.25	-0.25	-0.25	-0.25	0.49	0.49
90	0.20	0.20	1.04	1.04	0.20	0.20	0.20	0.20	0.20	0.20	1.04	0.20	0.20	1.04	-1.21	1.04	0.20	0.20	0.20	0.20
91	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.83	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.83	0.07
92	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.07	1.50	1.50	1.50	1.07	1.50	1.50	1.50	1.50
93	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95
94	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18
95	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	0.36	1.07	1.07	1.07
96	1.06	1.06	1.06	0.77	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
97	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51
98	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
99	0.44	0.64	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	0.64	0.44	0.44	0.44
101	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
102	0.44	0.44	0.44	-0.02	0.44	0.44	0.76	0.76	0.76	0.44	0.44	0.76	0.44	0.44	0.44	0.44	0.44	0.44	0.76	0.44
103	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	0.07	0.07	0.07	0.07
104	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
105	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
106	0.82	0.82	0.61	0.82	0.82	0.82	0.82	0.82	0.82	0.82	0.82	-0.91	0.82	-0.91	0.82	0.82	0.82	0.82	0.82	0.82
107	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16
108	0.71	1.30	0.71	0.71	1.30	1.30	1.30	-0.30	1.30	0.71	0.71	1.30	1.30	1.30	0.71	0.71	0.71	0.71	1.30	1.30
109	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
110	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	0.62	0.62	0.62	0.62
111	0.29	0.29	0.29	0.29	0.29	0.44	0.29	0.44	0.44	0.29	0.44	0.29	0.44	0.44	0.29	0.29	0.29	0.29	0.44	0.29
112	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
113	0.87	-0.22	-0.22	-1.35	-0.22	0.87	-0.22	-0.22	-0.22	-0.22	-0.22	-1.35	-0.22	-0.22	-0.22	-0.22	-0.22	-0.22	-0.22	0.87
114	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.29	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62
115	0.16	0.16	0.16	0.16	0.71	0.16	0.16	0.71	0.16	0.16	0.71	0.16	0.71	0.16	0.71	0.16	0.16	0.71	0.71	0.16
116	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	0.55	0.55	0.55	0.55	0.55	0.55
#Reported_Model_Average	0.547	0.462	0.492	0.498	0.492	0.482	0.491	0.477	0.501	0.488	0.507	0.483	0.474	0.495	0.425	0.470	0.478	0.483	0.531	0.491
#Overall_Average_Reported	0.488

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
2	0.41	0.51	0.51	0.51	0.51	0.41	0.51	0.51	0.51	0.51	0.51	0.51	0.41	0.51	0.41	0.51	0.41	0.41	0.51	0.41
3	1.10	1.10	1.10	1.10	1.10	0.56	0.56	0.56	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	0.56	1.10	1.10
4	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.29	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62
5	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
6	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
7	0.55	-0.02	0.55	-0.02	0.55	0.55	0.55	0.55	1.11	0.55	-0.02	-0.02	0.55	-0.02	0.55	-0.02	0.55	0.55	0.55	0.55
8	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.44	0.29	0.29	0.44	0.29	0.29	0.29	0.29	0.29
9	0.86	0.86	0.27	0.86	0.86	0.86	0.86	0.86	0.86	0.86	0.86	0.86	0.86	0.86	0.86	0.86	0.86	0.86	0.86	0.86
10	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
11	0.62	0.62	0.62	0.62	0.62	0.62	0.62	-0.32	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62
12	0.66	0.07	0.07	0.66	0.07	0.66	0.07	0.07	0.07	0.66	0.07	0.66	0.07	0.07	0.66	0.07	0.66	0.66	0.66	0.07
13	0.66	0.66	0.66	0.66	0.66	0.56	0.66	0.66	-0.94	-0.50	0.66	0.66	0.66	0.66	-0.94	0.66	0.56	-0.94	0.56	0.66
14	0.86	0.27	0.27	0.27	0.86	0.86	0.27	0.86	0.27	0.86	0.86	0.86	0.27	0.27	0.50	0.86	0.86	0.86	0.86	0.27
15	0.23	0.23	0.23	0.23	0.23	0.23	0.23	0.23	0.23	0.23	0.23	0.23	0.23	0.23	0.23	0.23	0.23	0.23	0.23	0.51
16	0.08	0.08	0.55	0.08	0.55	0.55	0.08	0.08	0.55	0.08	0.08	0.08	0.08	0.55	0.08	0.55	0.08	0.08	0.55	0.08
17	0.47	-0.10	0.47	-0.10	-0.10	-0.10	0.47	-0.10	0.47	-0.10	-0.10	-0.10	-0.10	-0.10	-0.10	-0.10	0.47	-0.10	-0.10	-0.10
18	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64
19	0.23	0.51	0.23	0.23	0.23	0.51	0.23	0.51	0.23	0.23	0.51	0.23	0.23	0.23	0.23	0.23	0.23	0.51	0.51	0.23
20	0.20	0.20	0.20	0.20	0.54	0.20	0.20	0.20	0.54	0.20	0.20	0.54	0.20	0.20	0.54	0.20	0.54	0.20	0.20	0.20
21	0.44	0.44	0.44	0.44	0.64	0.44	0.44	0.64	0.64	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.64	0.44
22	1.12	1.12	1.12	1.12	-0.42	1.12	1.12	-0.42	-0.42	1.12	1.12	-0.42	-0.42	1.12	-0.42	1.12	-0.42	1.12	-0.42	1.12
23	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04
24	0.47	-0.10	-0.10	-0.10	0.47	0.47	0.47	0.47	0.47	0.47	-0.10	0.47	-0.10	-0.10	0.47	-0.10	-0.10	0.47	0.47	-0.10
25	-0.84	-1.29	0.71	-0.84	-0.84	-1.29	-0.84	-0.84	-0.84	-1.29	-0.84	-0.84	-0.84	-0.84	-0.84	-0.84	-0.84	-0.84	-0.84	-0.84
26	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.25	0.44	0.44	0.44	0.44	0.44	0.25	0.44	0.25	0.44	0.44	0.44
27	0.51	0.23	0.23	0.51	0.23	0.23	0.23	0.23	0.23	0.23	0.23	0.23	0.23	0.23	0.51	0.23	0.51	0.23	0.51	0.51
28	1.14	0.52	1.14	1.14	1.14	1.14	0.52	1.14	1.14	1.14	1.14	1.14	1.14	0.52	1.14	1.14	1.25	1.14	1.14	1.25
29	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59
30	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	1.18	1.18	0.44	0.44	0.71	0.44	0.44	0.44	1.18	0.44	0.71
31	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96
32	0.71	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.71	0.24	0.24
33	-0.61	0.54	1.04	1.04	0.54	1.04	0.54	1.04	1.04	1.04	1.04	1.04	1.04	1.04	0.54	-0.61	0.54	0.54	0.54	-0.61
34	0.34	0.34	0.34	0.34	0.34	0.17	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34
35	0.23	0.23	0.23	0.51	0.23	0.51	0.23	0.23	0.23	0.51	0.23	0.23	0.23	0.51	0.51	0.23	0.23	0.23	0.34	0.51
36	-0.26	-0.26	-0.56	-0.26	-0.26	0.51	-0.26	0.09	-0.26	-0.26	-0.26	-0.26	0.51	-0.26	0.51	-0.56	0.51	-0.26	0.51	-0.26
40	1.25	-0.43	1.25	1.25	1.14	-0.43	1.14	1.14	1.14	1.14	1.25	1.25	1.14	1.14	1.25	-0.43	1.14	-0.43	1.14	1.14
41	0.59	0.59	0.59	0.59	0.59	-0.52	0.59	-0.52	0.59	0.59	-0.52	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59
42	0.36	0.36	1.07	1.07	0.14	0.36	0.36	1.07	0.36	1.07	0.36	1.07	0.36	1.07	0.14	0.36	0.36	0.36	0.14	1.07
43	1.07	0.36	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	0.36	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07
44	0.51	0.51	0.51	0.51	0.51	0.51	0.49	0.49	0.51	0.51	0.49	0.51	0.51	0.51	0.49	0.51	0.51	0.49	0.51	0.49
45	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.61	-0.03	-0.03	-0.03	-0.03
46	1.50	1.50	1.50	1.07	1.07	1.07	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.07	1.07	1.50	1.50
47	-0.65	-0.65	-0.65	-0.65	-0.65	-1.01	-0.65	-0.65	-0.65	-0.65	-0.65	-0.65	-0.65	-0.65	-0.65	-0.65	-0.65	-0.65	-0.65	-0.65
48	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49
49	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28
50	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
51	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93
52	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
53	-0.28	-0.28	-0.94	-0.28	-0.94	-0.28	-0.28	-0.28	-0.28	-0.28	-0.54	-0.28	-0.28	-0.94	-0.94	-0.94	-0.94	-0.94	-0.28	-0.94
57	0.47	-0.10	0.47	0.47	0.47	0.47	0.47	0.47	-0.10	-0.10	0.47	0.47	0.47	0.47	-0.10	-0.10	-0.10	0.47	0.47	-0.10
58	0.84	0.19	0.19	0.19	0.19	-1.12	0.19	0.19	0.19	0.19	0.19	0.19	-1.12	0.19	-1.12	0.19	0.84	0.19	0.84	0.19
59	0.71	0.44	1.18	0.71	1.18	0.44	1.18	0.71	0.44	0.44	1.18	1.18	0.44	1.18	0.44	0.44	0.44	1.18	1.18	0.44
60	-0.03	-0.03	-0.61	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.61	-0.61	-0.03	-0.03	-0.61	-0.03
61	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18
62	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50
63	-0.61	-0.61	-2.08	-0.61	-2.08	-2.08	-0.76	-2.08	-0.61	-2.08	-2.08	-1.80	-2.08	-2.08	-2.08	-0.61	-2.08	-0.61	-0.61	-2.08
64	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	0.36	0.36	1.07	1.07	1.07	0.36	1.07	1.07	1.07	0.36	1.07
65	0.35	0.35	-2.01	0.35	0.55	0.35	-0.83	0.35	0.35	0.35	0.35	0.35	0.35	0.35	0.35	0.35	-0.83	0.35	0.55	0.55
66	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	0.66	1.00	1.00	1.00	1.00	0.66	1.00	1.00	1.00	0.66	1.00	1.00
67	-0.57	0.25	-0.57	-0.57	-0.57	-0.57	-0.57	-0.57	-0.57	-0.57	-0.57	-0.57	-0.57	-0.57	-0.57	0.25	-0.57	-0.57	-0.57	-0.57
68	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	0.64	0.44
69	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.28	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04
70	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.33	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.33	-0.68	-0.33	-0.68	-0.68
71	0.30	0.30	0.30	0.30	0.30	0.30	-0.62	0.30	0.30	0.30	0.30	0.30	0.30	0.30	-0.62	0.30	0.41	0.30	0.30	0.30
72	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
73	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	-0.38	0.16	0.16	0.16
74	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
75	0.56	-0.51	1.10	-0.51	-0.51	0.56	0.56	-0.51	1.10	-0.51	0.56	1.10	-0.51	1.10	0.56	1.10	1.10	-0.51	-0.51	-0.51
76	0.66	0.66	0.66	0.66	0.07	0.07	0.66	0.66	0.07	0.66	0.66	0.66	0.07	0.66	0.66	0.66	0.66	0.66	0.66	0.07
77	0.47	0.08	0.47	0.47	0.47	0.47	0.08	0.47	0.47	0.47	-0.72	0.08	0.47	0.47	0.47	0.08	0.47	0.08	-0.72	0.47
78	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	0.44	0.25	0.25	0.25
79	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
80	1.50	1.50	1.07	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50
81	1.09	1.09	1.09	1.09	1.09	1.09	1.09	1.09	1.09	1.09	1.09	1.09	1.09	1.09	1.09	1.09	1.30	1.09	1.09	1.09
82	-0.65	-0.65	-1.01	-0.65	-0.65	-1.01	-0.65	-1.01	-0.65	-1.01	-1.01	-1.01	-0.65	-1.01	-1.01	-0.65	-0.65	-0.65	-1.01	-0.65
83	0.49	-0.25	-0.25	-0.25	0.49	0.49	-0.25	0.49	-0.25	0.49	0.49	0.49	0.49	-0.25	-0.25	-0.25	-0.25	-0.25	0.49	0.49
90	0.20	0.20	1.04	1.04	0.20	0.20	0.20	0.20	0.20	0.20	1.04	0.20	0.20	1.04	-1.21	1.04	0.20	0.20	0.20	0.20
91	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.83	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.83	0.07
92	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.07	1.50	1.50	1.50	1.07	1.50	1.50	1.50	1.50
93	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95
94	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18
95	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	0.36	1.07	1.07	1.07
96	1.06	1.06	1.06	0.77	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
97	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51
98	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
99	0.44	0.64	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	0.64	0.44	0.44	0.44
101	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
102	0.44	0.44	0.44	-0.02	0.44	0.44	0.76	0.76	0.76	0.44	0.44	0.76	0.44	0.44	0.44	0.44	0.44	0.44	0.76	0.44
103	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	0.07	0.07	0.07	0.07
104	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
105	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
106	0.82	0.82	0.61	0.82	0.82	0.82	0.82	0.82	0.82	0.82	0.82	-0.91	0.82	-0.91	0.82	0.82	0.82	0.82	0.82	0.82
107	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16
108	0.71	1.30	0.71	0.71	1.30	1.30	1.30	-0.30	1.30	0.71	0.71	1.30	1.30	1.30	0.71	0.71	0.71	0.71	1.30	1.30
109	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
110	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	0.62	0.62	0.62	0.62
111	0.29	0.29	0.29	0.29	0.29	0.44	0.29	0.44	0.44	0.29	0.44	0.29	0.44	0.44	0.29	0.29	0.29	0.29	0.44	0.29
112	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
113	0.87	-0.22	-0.22	-1.35	-0.22	0.87	-0.22	-0.22	-0.22	-0.22	-0.22	-1.35	-0.22	-0.22	-0.22	-0.22	-0.22	-0.22	-0.22	0.87
114	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.29	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62
115	0.16	0.16	0.16	0.16	0.71	0.16	0.16	0.71	0.16	0.16	0.71	0.16	0.71	0.16	0.71	0.16	0.16	0.71	0.71	0.16
116	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	0.55	0.55	0.55	0.55	0.55	0.55
#Reported_Model_Average	0.547	0.462	0.492	0.498	0.492	0.482	0.491	0.477	0.501	0.488	0.507	0.483	0.474	0.495	0.425	0.470	0.478	0.483	0.531	0.491
#Overall_Average_Reported	0.488

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
2.000	0	0	0	0	0	0	0	1	0	0	0	0	1	0	1	0	0	0	0	0
3.000	0	1	0	1	0	1	1	1	1	0	1	0	0	1	0	0	4	1	0	0
4.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
5.000	0	0	3	0	0	0	0	1	0	0	1	1	1	0	1	0	0	0	1	0
6.000	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	1	0	0	0
7.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1
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	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
10.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
11.000	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1
12.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
13.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
14.000	0	0	0	0	0	0	0	0	1	0	1	1	1	0	1	0	0	0	0	0
15.000	0	0	0	0	0	0	0	0	1	0	1	1	1	0	1	0	0	0	0	0
16.000	0	0	0	0	0	0	0	0	0	0	0	0	0	1	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	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0
19.000	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0
20.000	0	0	0	0	0	0	0	4	0	4	4	0	4	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	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
27.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
28.000	0	4	0	0	0	0	0	0	0	0	0	0	0	0	4	0	0	0	0	0
29.000	1	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	1	0	0	0
30.000	0	0	0	1	0	0	0	0	0	0	0	2	1	0	1	1	1	0	0	0
31.000	0	0	2	1	1	2	0	0	0	0	0	1	1	0	0	1	1	0	3	1
32.000	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0
33.000	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0
34.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
35.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
36.000	3	1	2	0	1	1	2	1	0	1	0	2	0	0	0	3	1	0	2	0
40.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
41.000	0	0	1	1	1	0	0	0	0	0	0	1	1	0	0	1	1	0	1	1
42.000	0	0	6	1	0	1	2	0	1	2	0	3	1	0	1	1	2	0	5	0
43.000	2	1	2	7	2	5	3	3	5	0	5	2	3	3	7	0	9	3	3	2
44.000	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	2	0	2	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	1	0	0	0
48.000	1	1	2	1	2	1	1	2	1	1	1	2	1	2	1	0	2	1	1	0
49.000	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0
50.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
51.000	1	1	1	1	1	2	1	1	1	1	0	1	2	1	1	0	1	0	1	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	2	2	3	2	2	4	4	2	2	2	1	3	5	2	2	0	2	1	2	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	1	0	0	0
59.000	0	1	1	1	1	0	0	0	0	0	1	1	1	1	1	0	0	0	0	0
60.000	1	0	0	0	0	0	0	1	0	0	0	0	0	0	1	1	0	1	0	0
61.000	0	0	0	0	0	0	0	0	1	0	0	0	1	1	0	0	1	1	0	0
62.000	0	1	0	0	0	0	1	0	0	0	0	2	0	1	1	0	0	0	0	0
63.000	0	0	1	0	0	1	0	0	1	0	0	0	0	0	1	0	0	0	0	0
64.000	4	3	0	2	3	2	4	3	0	2	3	0	0	0	3	4	3	3	3	2
65.000	1	1	0	0	0	0	0	1	0	0	1	2	0	0	1	1	1	1	0	0
66.000	1	1	2	0	1	0	0	0	0	1	0	3	1	0	0	1	1	0	1	0
67.000	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0
68.000	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0
69.000	0	0	0	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	1	0	0	0	0	0	0	0	0
71.000	0	0	0	0	0	0	3	0	0	0	0	2	0	1	0	0	0	0	0	0
72.000	0	0	0	0	0	0	1	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	1	0	0	0	0	0	0	0	0
74.000	2	2	3	3	2	2	3	1	5	2	1	5	3	1	1	3	2	1	1	2
75.000	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0
76.000	0	6	0	4	0	0	2	0	0	6	6	5	0	2	0	4	0	4	0	0
77.000	0	1	0	0	1	0	0	0	1	0	0	1	0	1	1	1	0	1	0	1
78.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
79.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
80.000	0	2	0	0	2	0	0	0	1	0	2	3	1	1	1	1	1	1	0	2
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	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
83.000	0	1	2	0	0	0	0	0	0	1	0	0	1	0	0	0	0	1	0	0
90.000	0	0	0	0	0	1	0	0	2	0	0	0	0	1	0	0	0	1	0	1
91.000	0	0	1	1	0	0	0	0	0	1	0	0	0	0	0	0	0	2	0	0
92.000	0	0	0	1	1	0	2	0	0	0	0	2	0	2	0	0	0	0	0	0
93.000	0	0	1	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0
94.000	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0
95.000	0	1	1	1	1	0	0	0	0	0	1	1	1	2	1	0	0	1	0	0
96.000	1	1	0	0	0	1	0	1	0	0	0	0	0	1	3	1	0	1	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	2	0	0	0	0	0	1	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	1	0	0	0	0	0	0	0	1	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	1	0	0	0	1	1	1	1	1	0	1	0	0	0	0	0	0	0	0	1
106.000	0	0	0	0	0	0	0	0	0	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	1	0	1	0	2	0	0	1	1	1	1	1	1	0	1	1	0	1	0	1
109.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0
110.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
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	1	0	0	0	0	0	0	0	0
113.000	0	1	1	1	1	0	1	1	1	0	1	0	0	1	1	1	1	0	1	0
114.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
115.000	0	0	0	0	2	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0
116.000	0	0	0	1	0	0	0	0	0	2	0	2	0	0	0	0	0	1	0	1
#Reported_Model_Average	0.245	0.333	0.363	0.314	0.284	0.245	0.363	0.255	0.275	0.284	0.324	0.608	0.343	0.294	0.392	0.255	0.392	0.275	0.284	0.167
#Overall_Average_Reported	0.315

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2060:A 108 LEU 2HD2 :A  74 LEU 2HD1 :   -0.764:        0
:  2060:A  66 VAL 1HG1 :A  74 LEU 2HD2 :   -0.555:        0

:  2060:A  48 ALA 1HB  :A  53 ILE  HB  :   -0.675:        0
:  2060:A  51 ILE 1HD1 :A  53 ILE 2HD1 :   -0.499:        0

:  2060:A  87 ASN  O   :A  88 LYS  CB  :   -0.510:        0
:  2060:A  87 ASN 1HB  :A  86 MET  O   :   -0.482:        0
:  2060:A  88 LYS 2HB  :A  87 ASN  O   :   -0.440:        0

:  2060:A  64 LEU  HA  :A  64 LEU 2HD2 :   -0.482:        0
:  2060:A  64 LEU 3HD1 :A  65 LYS  N   :   -0.416:        0
:  2060:A  94 VAL 3HG2 :A  64 LEU 1HB  :   -0.409:        0

:  2060:A  96 LEU 2HD1 :A  60 ASP 2HB  :   -0.455:        0

:  2060:A  37 ASP 1HB  :A  36 ASN  O   :   -0.454:        0
:  2060:A  36 ASN  O   :A  38 LYS  N   :   -0.416:        0
:  2060:A 118 LEU  CD2 :A  36 ASN 1HB  :   -0.402:        0

:  2060:A 100 LEU 2HB  :A 105 ILE 2HG1 :   -0.426:        0
:  2060:A 100 LEU 3HD1 :A 100 LEU  HA  :   -0.419:        0
:  2060:A 100 LEU  N   :A 100 LEU 2HD2 :   -0.415:        0

:  2060:A  43 LEU  C   :A  43 LEU  CD2 :   -0.416:        0

:  2060:A  39 TRP 2HB  :A  32 ARG 2HG  :   -0.416:        0

:  2060:A  29 ALA 1HB  :A  18 PRO  CB  :   -0.405:        0
#sum2 ::9.71 clashscore : 9.71 clashscore B<40 
#summary::2060 atoms:2060 atoms B<40:230194 potential dots:14390.0 A^2:20 bumps:20 bumps B<40:707.5 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2060:A  76 LYS 1HD  :A  76 LYS  O   :   -0.618:        0
:  2060:A  76 LYS  C   :A  76 LYS 1HD  :   -0.591:        0
:  2060:A  76 LYS  CD  :A  76 LYS  C   :   -0.493:        0

:  2060:A  84 TYR  CD2 :A  84 TYR  N   :   -0.515:        0

:  2060:A  88 LYS  HA  :A  83 ALA 3HB  :   -0.514:        0

:  2060:A   1 MET  SD  :A 102 ALA  HA  :   -0.499:        0

:  2060:A  51 ILE 1HD1 :A  53 ILE 2HD1 :   -0.499:        0
:  2060:A  48 ALA 1HB  :A  53 ILE  HB  :   -0.436:        0

:  2060:A 100 LEU  N   :A 100 LEU 2HD2 :   -0.498:        0
:  2060:A 100 LEU 3HD1 :A 100 LEU  HA  :   -0.437:        0

:  2060:A  96 LEU 1HD1 :A  62 ILE 3HG2 :   -0.497:        0

:  2060:A   3 ARG  HA  :A  43 LEU 1HD1 :   -0.493:        0

:  2060:A  59 VAL  HB  :A  95 LEU 1HD1 :   -0.475:        0

:  2060:A  80 ILE 1HG2 :A  74 LEU  HG  :   -0.470:        0
:  2060:A  80 ILE 2HD1 :A  77 LYS 1HB  :   -0.447:        0
:  2060:A  66 VAL 1HG1 :A  74 LEU 2HD2 :   -0.405:        0

:  2060:A  64 LEU 2HD2 :A  64 LEU  HA  :   -0.466:        0
:  2060:A  64 LEU 3HD1 :A  65 LYS  N   :   -0.409:        0

:  2060:A  28 TYR  N   :A  28 TYR  CD1 :   -0.447:        0
:  2060:A  28 TYR  N   :A  28 TYR  HD1 :   -0.404:        0

:  2060:A  37 ASP 1HB  :A  36 ASN  O   :   -0.446:        0

:  2060:A 117 ARG  N   :A 113 PHE  O   :   -0.445:        0
#sum2 ::10.68 clashscore : 10.68 clashscore B<40 
#summary::2060 atoms:2060 atoms B<40:230082 potential dots:14380.0 A^2:22 bumps:22 bumps B<40:648.3 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2060:A 108 LEU 2HD2 :A  74 LEU 2HD1 :   -0.787:        0
:  2060:A  74 LEU 3HD1 :A  66 VAL 1HG1 :   -0.471:        0
:  2060:A  66 VAL 1HG1 :A  74 LEU 2HD2 :   -0.404:        0

:  2060:A  84 TYR  CD2 :A  84 TYR  O   :   -0.710:        0
:  2060:A  84 TYR  O   :A  84 TYR  CG  :   -0.682:        0

:  2060:A 100 LEU  O   :A 100 LEU 2HD1 :   -0.612:        0
:  2060:A 100 LEU 2HD1 :A 100 LEU  C   :   -0.567:        0

:  2060:A  41 ALA 3HB  :A  31 PHE 1HB  :   -0.548:        0
:  2060:A  42 LEU 2HB  :A  63 ASP 2HB  :   -0.507:        0
:  2060:A  42 LEU 3HD1 :A  42 LEU  C   :   -0.466:        0
:  2060:A  43 LEU  N   :A  42 LEU 3HD1 :   -0.464:        0
:  2060:A  42 LEU 2HD2 :A  42 LEU  HA  :   -0.449:        0
:  2060:A  43 LEU 1HB  :A  31 PHE  HE1 :   -0.402:        0

:  2060:A  53 ILE 2HD1 :A  51 ILE 1HD1 :   -0.539:        0
:  2060:A  53 ILE 2HG2 :A  55 GLY  H   :   -0.456:        0
:  2060:A  48 ALA 3HB  :A  55 GLY  O   :   -0.444:        0
:  2060:A  48 ALA 1HB  :A  53 ILE  HB  :   -0.414:        0

:  2060:A  83 ALA  HA  :A  93 THR 3HG2 :   -0.510:        0
:  2060:A  83 ALA 2HB  :A  91 TRP  O   :   -0.455:        0

:  2060:A 118 LEU 1HD2 :A  36 ASN  HA  :   -0.507:        0
:  2060:A  37 ASP 1HB  :A  36 ASN  O   :   -0.414:        0

:  2060:A 113 PHE  O   :A 117 ARG  N   :   -0.464:        0

:  2060:A 121 HIS  N   :A 119 GLU  O   :   -0.437:        0

:  2060:A   1 MET  HA  :A   5 GLN 1HB  :   -0.422:        0
:  2060:A   1 MET  O   :A   1 MET 2HG  :   -0.413:        0
:  2060:A   1 MET 1HB  :A   5 GLN  CB  :   -0.407:        0
:  2060:A   5 GLN 1HB  :A   1 MET  CA  :   -0.404:        0

:  2060:A  59 VAL  HB  :A  95 LEU 1HD1 :   -0.420:        0

:  2060:A  39 TRP  CB  :A  33 HIS  H   :   -0.405:        0

:  2060:A  89 GLU 2HB  :A  88 LYS  O   :   -0.405:        0
#sum2 ::14.56 clashscore : 14.56 clashscore B<40 
#summary::2060 atoms:2060 atoms B<40:230031 potential dots:14380.0 A^2:30 bumps:30 bumps B<40:641.7 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2060:A  43 LEU 3HD2 :A  43 LEU  C   :   -0.694:        0
:  2060:A  43 LEU 1HD2 :A   3 ARG 2HG  :   -0.529:        0
:  2060:A  43 LEU  CD2 :A  43 LEU  C   :   -0.480:        0
:  2060:A  43 LEU  O   :A  43 LEU 3HD2 :   -0.475:        0

:  2060:A  48 ALA 1HB  :A  53 ILE  HB  :   -0.666:        0
:  2060:A  51 ILE 1HD1 :A  53 ILE 2HD1 :   -0.530:        0

:  2060:A  74 LEU  H   :A  74 LEU 3HD2 :   -0.567:        0
:  2060:A  74 LEU 1HD1 :A  92 ILE  HB  :   -0.477:        0

:  2060:A 100 LEU  H   :A 100 LEU 3HD2 :   -0.543:        0

:  2060:A  88 LYS 1HG  :A  88 LYS  O   :   -0.539:        0
:  2060:A  82 PRO 1HB  :A  88 LYS 1HD  :   -0.432:        0

:  2060:A  76 LYS  C   :A  76 LYS 1HD  :   -0.526:        0
:  2060:A  76 LYS  CD  :A  76 LYS  C   :   -0.402:        0

:  2060:A  41 ALA 3HB  :A  31 PHE 1HB  :   -0.516:        0

:  2060:A 116 THR 1HG2 :A  39 TRP  HA  :   -0.497:        0

:  2060:A  59 VAL  HB  :A  95 LEU 1HD1 :   -0.465:        0

:  2060:A  64 LEU 2HD1 :A  64 LEU  C   :   -0.464:        0

:  2060:A  91 TRP  CE3 :A  87 ASN 2HB  :   -0.440:        0

:  2060:A  30 VAL 2HG2 :A  42 LEU 3HD1 :   -0.421:        0

:  2060:A 117 ARG  N   :A 113 PHE  O   :   -0.406:        0
#sum2 ::9.71 clashscore : 9.71 clashscore B<40 
#summary::2060 atoms:2060 atoms B<40:230432 potential dots:14400.0 A^2:20 bumps:20 bumps B<40:664.7 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2060:A 100 LEU  O   :A 100 LEU 2HD1 :   -0.740:        0
:  2060:A 100 LEU 2HD1 :A 100 LEU  C   :   -0.679:        0
:  2060:A 100 LEU  CD1 :A 100 LEU  C   :   -0.489:        0
:  2060:A 100 LEU 3HD1 :A 105 ILE 2HG1 :   -0.428:        0

:  2060:A  41 ALA 3HB  :A  31 PHE 1HB  :   -0.704:        0

:  2060:A  66 VAL 1HG1 :A  74 LEU 2HD2 :   -0.613:        0
:  2060:A  92 ILE 2HG1 :A  74 LEU 1HD2 :   -0.596:        0

:  2060:A  39 TRP  CD1 :A  39 TRP  C   :   -0.597:        0
:  2060:A  39 TRP  O   :A  39 TRP  CD1 :   -0.437:        0

:  2060:A  43 LEU  C   :A  43 LEU 3HD2 :   -0.569:        0

:  2060:A  53 ILE 2HD1 :A  51 ILE 1HD1 :   -0.536:        0
:  2060:A  48 ALA 3HB  :A  55 GLY  O   :   -0.425:        0
:  2060:A  48 ALA 1HB  :A  53 ILE  HB  :   -0.423:        0

:  2060:A 108 LEU 1HD1 :A  80 ILE 1HD1 :   -0.494:        0
:  2060:A  80 ILE 2HD1 :A  77 LYS 1HB  :   -0.427:        0
:  2060:A 108 LEU 2HB  :A  64 LEU  HG  :   -0.414:        0
:  2060:A  64 LEU 2HD2 :A  64 LEU  HA  :   -0.402:        0

:  2060:A  84 TYR  O   :A  85 HIS 2HB  :   -0.466:        0
:  2060:A  84 TYR  O   :A  84 TYR  CD1 :   -0.426:        0
:  2060:A  84 TYR  O   :A  85 HIS  CB  :   -0.426:        0

:  2060:A 113 PHE  O   :A 117 ARG  N   :   -0.460:        0

:  2060:A  36 ASN 1HB  :A  33 HIS 1HB  :   -0.430:        0

:  2060:A   1 MET 1HG  :A   1 MET  O   :   -0.410:        0

:  2060:A 115 LEU  N   :A 115 LEU  CD1 :   -0.405:        0

:  2060:A  59 VAL  HB  :A  95 LEU 1HD1 :   -0.400:        0
#sum2 ::12.14 clashscore : 12.14 clashscore B<40 
#summary::2060 atoms:2060 atoms B<40:230218 potential dots:14390.0 A^2:25 bumps:25 bumps B<40:687.8 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2060:A 100 LEU  O   :A 100 LEU 2HD1 :   -0.903:        0
:  2060:A 100 LEU 2HD1 :A 100 LEU  C   :   -0.683:        0
:  2060:A 100 LEU  C   :A 100 LEU  CD1 :   -0.595:        0
:  2060:A 105 ILE 2HG1 :A 100 LEU 3HD1 :   -0.400:        0

:  2060:A  53 ILE  O   :A  55 GLY  N   :   -0.592:        0
:  2060:A  51 ILE 1HD1 :A  53 ILE 2HD1 :   -0.514:        0
:  2060:A  48 ALA 1HB  :A  53 ILE  HB  :   -0.434:        0
:  2060:A  53 ILE 2HD1 :A  51 ILE  CD1 :   -0.411:        0

:  2060:A  74 LEU  H   :A  74 LEU 3HD2 :   -0.476:        0

:  2060:A  43 LEU 3HD2 :A  43 LEU  C   :   -0.463:        0
:  2060:A  43 LEU  C   :A  43 LEU  CD2 :   -0.450:        0
:  2060:A  43 LEU 3HD1 :A   3 ARG 2HG  :   -0.409:        0

:  2060:A  42 LEU  H   :A  63 ASP 2HB  :   -0.434:        0

:  2060:A   1 MET 2HB  :A  96 LEU 2HD2 :   -0.432:        0

:  2060:A  31 PHE  CD2 :A  31 PHE  N   :   -0.432:        0

:  2060:A  39 TRP  HE1 :A  36 ASN 2HB  :   -0.417:        0

:  2060:A  87 ASN 2HB  :A  90 HIS 1HB  :   -0.408:        0

:  2060:A  64 LEU 2HD2 :A  64 LEU  HA  :   -0.405:        0
#sum2 ::8.74 clashscore : 8.74 clashscore B<40 
#summary::2060 atoms:2060 atoms B<40:230196 potential dots:14390.0 A^2:18 bumps:18 bumps B<40:745.6 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2060:A 100 LEU  O   :A 100 LEU 2HD1 :   -0.815:        0
:  2060:A 100 LEU 2HD1 :A 100 LEU  C   :   -0.699:        0
:  2060:A 100 LEU  CD1 :A 100 LEU  C   :   -0.567:        0
:  2060:A 100 LEU 3HD1 :A 105 ILE 2HG1 :   -0.444:        0
:  2060:A 100 LEU  HG  :A 100 LEU  H   :   -0.417:        0

:  2060:A  48 ALA 1HB  :A  53 ILE  HB  :   -0.691:        0
:  2060:A  53 ILE 2HD1 :A  51 ILE 1HD1 :   -0.617:        0
:  2060:A  55 GLY  O   :A  49 GLU  N   :   -0.461:        0
:  2060:A  53 ILE  O   :A  54 ASN  C   :   -0.452:        0
:  2060:A  53 ILE  O   :A  55 GLY  N   :   -0.433:        0

:  2060:A  64 LEU 2HD1 :A  64 LEU  C   :   -0.564:        0
:  2060:A  64 LEU  O   :A  64 LEU 2HD1 :   -0.460:        0

:  2060:A  92 ILE 1HD1 :A  71 VAL 3HG2 :   -0.531:        0
:  2060:A  71 VAL 2HG1 :A  68 PRO  O   :   -0.497:        0
:  2060:A  74 LEU  N   :A  74 LEU  CD2 :   -0.460:        0
:  2060:A  92 ILE 1HG2 :A  74 LEU 2HB  :   -0.439:        0
:  2060:A  72 GLY  N   :A  71 VAL 3HG1 :   -0.406:        0

:  2060:A  42 LEU 2HD1 :A  42 LEU  C   :   -0.511:        0

:  2060:A  43 LEU 3HD2 :A  44 MET  N   :   -0.479:        0
:  2060:A  62 ILE 2HG2 :A  43 LEU  HG  :   -0.462:        0
:  2060:A  43 LEU 1HD1 :A   3 ARG  HA  :   -0.415:        0

:  2060:A  76 LYS 1HD  :A  76 LYS  C   :   -0.467:        0

:  2060:A 113 PHE  O   :A 117 ARG  N   :   -0.458:        0

:  2060:A  36 ASN  ND2 :A 118 LEU  HG  :   -0.451:        0
:  2060:A  37 ASP 1HB  :A  36 ASN  O   :   -0.450:        0

:  2060:A 115 LEU 1HD2 :A  67 GLN 2HG  :   -0.426:        0

:  2060:A  86 MET  O   :A  87 ASN 1HB  :   -0.400:        0
#sum2 ::13.11 clashscore : 13.11 clashscore B<40 
#summary::2060 atoms:2060 atoms B<40:229990 potential dots:14370.0 A^2:27 bumps:27 bumps B<40:684 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2060:A  20 HIS  CG  :A  20 HIS  O   :   -0.682:        0
:  2060:A  20 HIS  O   :A  20 HIS  CD2 :   -0.623:        0

:  2060:A 108 LEU 2HD2 :A  74 LEU 2HD1 :   -0.610:        0

:  2060:A 118 LEU 3HD2 :A  36 ASN 1HB  :   -0.591:        0

:  2060:A  51 ILE 1HD1 :A  53 ILE 2HD1 :   -0.546:        0
:  2060:A  48 ALA 1HB  :A  53 ILE  HB  :   -0.497:        0
:  2060:A  55 GLY  O   :A  48 ALA 3HB  :   -0.473:        0

:  2060:A 117 ARG  N   :A 113 PHE  O   :   -0.529:        0

:  2060:A  43 LEU 3HD2 :A  43 LEU  C   :   -0.501:        0
:  2060:A  43 LEU 1HD2 :A   3 ARG 2HG  :   -0.422:        0

:  2060:A  37 ASP  O   :A  38 LYS 1HB  :   -0.479:        0

:  2060:A   2 ASN 2HB  :A   5 GLN 1HG  :   -0.451:        0

:  2060:A  96 LEU 2HD1 :A  60 ASP 2HB  :   -0.440:        0

:  2060:A 100 LEU  N   :A 100 LEU 2HD2 :   -0.436:        0

:  2060:A 125 HIS  O2  :A 125 HIS  CG  :   -0.429:        0

:  2060:A  64 LEU  HA  :A  64 LEU 2HD2 :   -0.428:        0
:  2060:A  64 LEU 3HD1 :A  65 LYS  N   :   -0.422:        0

:  2060:A 105 ILE 2HD1 :A   1 MET 1HB  :   -0.406:        0
#sum2 ::8.74 clashscore : 8.74 clashscore B<40 
#summary::2060 atoms:2060 atoms B<40:230411 potential dots:14400.0 A^2:18 bumps:18 bumps B<40:742.7 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2060:A 100 LEU  O   :A 100 LEU 2HD1 :   -0.729:        0
:  2060:A 100 LEU 2HD1 :A 100 LEU  C   :   -0.630:        0
:  2060:A 100 LEU  C   :A 100 LEU  CD1 :   -0.553:        0
:  2060:A 105 ILE 2HG1 :A 100 LEU 3HD1 :   -0.409:        0

:  2060:A  74 LEU  H   :A  74 LEU 3HD2 :   -0.673:        0
:  2060:A 108 LEU 2HD2 :A  74 LEU 1HB  :   -0.487:        0
:  2060:A  74 LEU  H   :A  74 LEU  CD2 :   -0.411:        0

:  2060:A  43 LEU 3HD2 :A  43 LEU  C   :   -0.672:        0
:  2060:A  43 LEU  C   :A  43 LEU  CD2 :   -0.446:        0
:  2060:A  43 LEU 3HD1 :A   3 ARG 2HG  :   -0.439:        0

:  2060:A  51 ILE 1HD1 :A  53 ILE 2HD1 :   -0.549:        0
:  2060:A  48 ALA 1HB  :A  53 ILE  HB  :   -0.481:        0

:  2060:A  88 LYS  O   :A  89 GLU 1HB  :   -0.544:        0

:  2060:A  42 LEU 3HD2 :A  63 ASP 2HB  :   -0.540:        0

:  2060:A 117 ARG  N   :A 113 PHE  O   :   -0.457:        0

:  2060:A  80 ILE 3HD1 :A  77 LYS 1HB  :   -0.450:        0

:  2060:A  86 MET  H   :A  85 HIS  H   :   -0.428:        0

:  2060:A  90 HIS  CD2 :A  90 HIS  N   :   -0.424:        0

:  2060:A  15 ASP  C   :A  14 TYR  O   :   -0.421:        0

:  2060:A  93 THR  CG2 :A  61 VAL  HB  :   -0.406:        0
#sum2 ::9.71 clashscore : 9.71 clashscore B<40 
#summary::2060 atoms:2060 atoms B<40:230113 potential dots:14380.0 A^2:20 bumps:20 bumps B<40:700.2 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2060:A 108 LEU 2HD2 :A  74 LEU 2HD1 :   -0.677:        0
:  2060:A  66 VAL 1HG1 :A  74 LEU 2HD2 :   -0.519:        0

:  2060:A  76 LYS  C   :A  76 LYS 1HD  :   -0.603:        0
:  2060:A  76 LYS 1HD  :A  76 LYS  O   :   -0.558:        0
:  2060:A  76 LYS  C   :A  76 LYS  CD  :   -0.451:        0

:  2060:A  39 TRP  H   :A  39 TRP  HD1 :   -0.602:        0
:  2060:A 116 THR 1HG2 :A  39 TRP  CB  :   -0.490:        0
:  2060:A 116 THR 3HG2 :A 112 SER  O   :   -0.451:        0

:  2060:A  84 TYR  O   :A  84 TYR  CD2 :   -0.587:        0
:  2060:A  84 TYR  CG  :A  84 TYR  O   :   -0.544:        0

:  2060:A  51 ILE 1HD1 :A  53 ILE 2HD1 :   -0.585:        0
:  2060:A  48 ALA 1HB  :A  53 ILE  HB  :   -0.472:        0

:  2060:A  42 LEU  C   :A  42 LEU 2HD1 :   -0.537:        0

:  2060:A 118 LEU 3HD1 :A  36 ASN  CG  :   -0.518:        0

:  2060:A   1 MET  SD  :A 102 ALA  HA  :   -0.495:        0

:  2060:A  20 HIS  ND1 :A  20 HIS  O   :   -0.480:        0
:  2060:A  20 HIS  O   :A  20 HIS  CG  :   -0.423:        0

:  2060:A  83 ALA 2HB  :A  91 TRP  O   :   -0.440:        0

:  2060:A 100 LEU  HA  :A 100 LEU 3HD1 :   -0.407:        0

:  2060:A  64 LEU 2HD2 :A  64 LEU  HA  :   -0.402:        0
#sum2 ::9.71 clashscore : 9.71 clashscore B<40 
#summary::2060 atoms:2060 atoms B<40:230199 potential dots:14390.0 A^2:20 bumps:20 bumps B<40:673.8 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2060:A 108 LEU 2HD2 :A  74 LEU 2HD1 :   -0.751:        0

:  2060:A  48 ALA 1HB  :A  53 ILE  HB  :   -0.686:        0

:  2060:A  43 LEU  C   :A  43 LEU 3HD2 :   -0.658:        0
:  2060:A  43 LEU 1HD2 :A   3 ARG 2HG  :   -0.482:        0
:  2060:A  43 LEU  C   :A  43 LEU  CD2 :   -0.455:        0

:  2060:A  76 LYS 1HD  :A  76 LYS  C   :   -0.605:        0
:  2060:A  76 LYS  O   :A  76 LYS 1HD  :   -0.487:        0
:  2060:A  76 LYS  C   :A  76 LYS  CD  :   -0.470:        0

:  2060:A 100 LEU 2HD2 :A 100 LEU  N   :   -0.515:        0
:  2060:A 100 LEU 3HD1 :A 100 LEU  HA  :   -0.479:        0
:  2060:A 100 LEU  N   :A 100 LEU  CD2 :   -0.406:        0

:  2060:A  65 LYS  N   :A  64 LEU 3HD1 :   -0.501:        0
:  2060:A  64 LEU 2HD2 :A  64 LEU  HA  :   -0.419:        0

:  2060:A  20 HIS  ND1 :A  20 HIS  O   :   -0.498:        0
:  2060:A  20 HIS  O   :A  20 HIS  CG  :   -0.464:        0

:  2060:A  80 ILE  N   :A  80 ILE 2HD1 :   -0.485:        0

:  2060:A 123 HIS  O   :A 125 HIS  N   :   -0.447:        0

:  2060:A   1 MET  SD  :A 105 ILE 1HG2 :   -0.439:        0
:  2060:A   1 MET  HA  :A   5 GLN 1HB  :   -0.431:        0

:  2060:A  15 ASP  C   :A  14 TYR  O   :   -0.437:        0

:  2060:A 113 PHE  O   :A 117 ARG  N   :   -0.426:        0

:  2060:A  59 VAL  HB  :A  95 LEU 1HD1 :   -0.409:        0
#sum2 ::10.68 clashscore : 10.68 clashscore B<40 
#summary::2060 atoms:2060 atoms B<40:230243 potential dots:14390.0 A^2:22 bumps:22 bumps B<40:690.3 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2060:A 108 LEU 2HD2 :A  74 LEU 2HD1 :   -0.796:        0
:  2060:A  74 LEU 3HD1 :A  66 VAL 1HG1 :   -0.544:        0
:  2060:A  92 ILE 1HD1 :A  71 VAL 3HG2 :   -0.522:        0
:  2060:A  80 ILE 2HD1 :A  77 LYS 1HB  :   -0.510:        0
:  2060:A  66 VAL  HB  :A  70 LEU 1HB  :   -0.467:        0
:  2060:A  74 LEU 3HD1 :A  66 VAL  CG1 :   -0.434:        0
:  2060:A  75 ARG 2HD  :A  71 VAL 2HG2 :   -0.411:        0
:  2060:A  80 ILE 1HG1 :A  94 VAL 3HG1 :   -0.407:        0
:  2060:A  74 LEU  CD2 :A  80 ILE 1HG2 :   -0.406:        0
:  2060:A  92 ILE 2HD1 :A  74 LEU 2HD2 :   -0.402:        0

:  2060:A  48 ALA 1HB  :A  53 ILE  HB  :   -0.772:        0
:  2060:A  48 ALA 3HB  :A  55 GLY  O   :   -0.601:        0
:  2060:A  53 ILE 2HD1 :A  51 ILE 1HD1 :   -0.510:        0
:  2060:A  53 ILE 2HG2 :A  55 GLY  H   :   -0.435:        0

:  2060:A 112 SER  O   :A 116 THR 3HG2 :   -0.597:        0
:  2060:A  36 ASN  O   :A  37 ASP  C   :   -0.490:        0
:  2060:A 116 THR  HA  :A  38 LYS 2HB  :   -0.456:        0
:  2060:A  38 LYS  N   :A  36 ASN  O   :   -0.414:        0

:  2060:A  76 LYS  O   :A  76 LYS 1HD  :   -0.550:        0
:  2060:A  76 LYS 1HD  :A  76 LYS  C   :   -0.539:        0
:  2060:A  73 SER  O   :A  76 LYS 2HG  :   -0.495:        0

:  2060:A 100 LEU  C   :A  99 PRO  O   :   -0.547:        0
:  2060:A  99 PRO  O   :A 100 LEU  O   :   -0.400:        0

:  2060:A  84 TYR  C   :A  84 TYR  CD1 :   -0.535:        0

:  2060:A  19 ASP  O   :A  30 VAL  HB  :   -0.506:        0
:  2060:A  42 LEU 2HD1 :A  29 ALA  O   :   -0.482:        0
:  2060:A  62 ILE  HA  :A  42 LEU  O   :   -0.450:        0
:  2060:A  62 ILE 2HG2 :A  43 LEU  HG  :   -0.431:        0
:  2060:A  29 ALA 1HB  :A  18 PRO  CB  :   -0.425:        0
:  2060:A  30 VAL 2HG2 :A  42 LEU 3HD1 :   -0.417:        0
:  2060:A  43 LEU 3HD2 :A  44 MET  N   :   -0.412:        0

:  2060:A  15 ASP  C   :A  14 TYR  O   :   -0.490:        0

:  2060:A  65 LYS  O   :A  65 LYS  CG  :   -0.482:        0

:  2060:A  59 VAL  HB  :A  95 LEU 1HD1 :   -0.478:        0

:  2060:A  41 ALA 3HB  :A  31 PHE 1HB  :   -0.444:        0

:  2060:A   1 MET  HA  :A   5 GLN 1HB  :   -0.417:        0
#sum2 ::17.48 clashscore : 17.48 clashscore B<40 
#summary::2060 atoms:2060 atoms B<40:230159 potential dots:14380.0 A^2:36 bumps:36 bumps B<40:572 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2060:A  41 ALA 3HB  :A  31 PHE 1HB  :   -0.769:        0

:  2060:A  20 HIS  O   :A  20 HIS  CG  :   -0.659:        0
:  2060:A  20 HIS  O   :A  20 HIS  CD2 :   -0.650:        0

:  2060:A  87 ASN 1HB  :A  86 MET  O   :   -0.632:        0
:  2060:A  83 ALA 1HB  :A  86 MET 1HB  :   -0.618:        0
:  2060:A  87 ASN  O   :A  88 LYS 2HB  :   -0.494:        0
:  2060:A  86 MET  O   :A  87 ASN  CB  :   -0.459:        0

:  2060:A  43 LEU  C   :A  43 LEU 3HD2 :   -0.564:        0
:  2060:A   6 PHE  CD2 :A  43 LEU 2HD1 :   -0.437:        0

:  2060:A  30 VAL 2HG2 :A  42 LEU 3HD1 :   -0.542:        0

:  2060:A  84 TYR  O   :A  84 TYR  CD1 :   -0.539:        0

:  2060:A  48 ALA 1HB  :A  53 ILE  HB  :   -0.536:        0
:  2060:A  53 ILE 2HD1 :A  51 ILE  CD1 :   -0.525:        0
:  2060:A  53 ILE 2HD1 :A  51 ILE 1HD1 :   -0.506:        0
:  2060:A  53 ILE  O   :A  55 GLY  N   :   -0.497:        0
:  2060:A  53 ILE  O   :A  54 ASN  C   :   -0.407:        0

:  2060:A  39 TRP  O   :A  39 TRP  CD1 :   -0.475:        0
:  2060:A  39 TRP  O   :A  39 TRP  CG  :   -0.432:        0

:  2060:A  14 TYR  O   :A  15 ASP  C   :   -0.450:        0

:  2060:A  74 LEU  H   :A  74 LEU 3HD2 :   -0.433:        0
:  2060:A  66 VAL 1HG1 :A  74 LEU 2HD2 :   -0.412:        0

:  2060:A  93 THR  CG2 :A  61 VAL  HB  :   -0.430:        0

:  2060:A 100 LEU 3HD1 :A 100 LEU  HA  :   -0.423:        0

:  2060:A  59 VAL  HB  :A  95 LEU 1HD1 :   -0.423:        0

:  2060:A   5 GLN 1HG  :A   2 ASN 1HB  :   -0.419:        0

:  2060:A 108 LEU 1HD1 :A  80 ILE 1HD1 :   -0.418:        0
#sum2 ::12.62 clashscore : 12.62 clashscore B<40 
#summary::2060 atoms:2060 atoms B<40:230011 potential dots:14380.0 A^2:26 bumps:26 bumps B<40:684.2 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2060:A  43 LEU  C   :A  43 LEU 3HD2 :   -0.610:        0
:  2060:A  43 LEU 1HD2 :A   3 ARG 2HG  :   -0.450:        0

:  2060:A  96 LEU 1HD1 :A  62 ILE 3HG2 :   -0.593:        0

:  2060:A 100 LEU  O   :A 100 LEU 2HD1 :   -0.566:        0
:  2060:A 100 LEU 2HD1 :A 100 LEU  C   :   -0.437:        0

:  2060:A 115 LEU 2HD2 :A  67 GLN 2HG  :   -0.524:        0

:  2060:A  76 LYS 1HD  :A  76 LYS  C   :   -0.515:        0

:  2060:A  39 TRP  O   :A  39 TRP  CD1 :   -0.486:        0

:  2060:A  87 ASN 2HB  :A  90 HIS 1HB  :   -0.486:        0

:  2060:A  39 TRP  O   :A  39 TRP  CG  :   -0.460:        0
:  2060:A  39 TRP  O   :A  32 ARG  HA  :   -0.421:        0

:  2060:A  71 VAL  CG2 :A  92 ILE 1HD1 :   -0.468:        0
:  2060:A  92 ILE 2HG1 :A  74 LEU 1HD2 :   -0.465:        0

:  2060:A  80 ILE 2HD1 :A  77 LYS 1HB  :   -0.464:        0

:  2060:A  48 ALA 1HB  :A  53 ILE  HB  :   -0.462:        0
:  2060:A  48 ALA 3HB  :A  55 GLY  O   :   -0.440:        0
:  2060:A  53 ILE 2HD1 :A  51 ILE 1HD1 :   -0.403:        0

:  2060:A 113 PHE  O   :A 117 ARG  N   :   -0.453:        0

:  2060:A  16 THR  O   :A  11 GLN 1HG  :   -0.445:        0

:  2060:A  59 VAL  HB  :A  95 LEU 1HD1 :   -0.442:        0
:  2060:A  61 VAL 2HG1 :A  95 LEU  HA  :   -0.431:        0
#sum2 ::10.19 clashscore : 10.19 clashscore B<40 
#summary::2060 atoms:2060 atoms B<40:230096 potential dots:14380.0 A^2:21 bumps:21 bumps B<40:662.9 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2060:A  43 LEU  C   :A  43 LEU 3HD2 :   -0.834:        0
:  2060:A  43 LEU  CD2 :A  43 LEU  C   :   -0.579:        0
:  2060:A  43 LEU 3HD2 :A  43 LEU  O   :   -0.512:        0
:  2060:A   6 PHE  CD2 :A  43 LEU 2HD1 :   -0.400:        0

:  2060:A 108 LEU 2HD2 :A  74 LEU 2HD1 :   -0.760:        0

:  2060:A  53 ILE 2HD1 :A  51 ILE 1HD1 :   -0.567:        0
:  2060:A  53 ILE 2HG2 :A  55 GLY  H   :   -0.496:        0
:  2060:A  48 ALA 3HB  :A  55 GLY  O   :   -0.414:        0

:  2060:A  96 LEU 1HD1 :A  62 ILE 3HG2 :   -0.557:        0
:  2060:A  96 LEU 2HD1 :A  60 ASP 2HB  :   -0.441:        0
:  2060:A  96 LEU 2HD2 :A   1 MET 1HG  :   -0.404:        0

:  2060:A  28 TYR  HD1 :A  28 TYR  N   :   -0.517:        0
:  2060:A  28 TYR  N   :A  28 TYR  CD1 :   -0.471:        0

:  2060:A  19 ASP  O   :A  30 VAL  HB  :   -0.502:        0

:  2060:A 113 PHE  O   :A 117 ARG  N   :   -0.487:        0
:  2060:A 117 ARG  HE  :A 120 HIS  HA  :   -0.460:        0

:  2060:A  80 ILE 2HD1 :A  77 LYS 1HB  :   -0.473:        0

:  2060:A 100 LEU  CD2 :A 100 LEU  N   :   -0.451:        0
:  2060:A 100 LEU 2HD2 :A 100 LEU  N   :   -0.442:        0

:  2060:A  59 VAL  HB  :A  95 LEU 1HD1 :   -0.450:        0

:  2060:A  64 LEU 2HD2 :A  64 LEU  HA  :   -0.436:        0
:  2060:A  65 LYS  N   :A  64 LEU 3HD1 :   -0.435:        0

:  2060:A   5 GLN 1HB  :A   2 ASN  H   :   -0.434:        0

:  2060:A  63 ASP 1HB  :A  42 LEU  H   :   -0.429:        0

:  2060:A  14 TYR  O   :A  15 ASP  C   :   -0.410:        0
#sum2 ::12.14 clashscore : 12.14 clashscore B<40 
#summary::2060 atoms:2060 atoms B<40:230284 potential dots:14390.0 A^2:25 bumps:25 bumps B<40:677.7 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2060:A 100 LEU  O   :A 100 LEU 2HD1 :   -0.743:        0
:  2060:A 100 LEU 2HD1 :A 100 LEU  C   :   -0.652:        0
:  2060:A 100 LEU  C   :A 100 LEU  CD1 :   -0.503:        0

:  2060:A  76 LYS  C   :A  76 LYS 1HD  :   -0.564:        0
:  2060:A  76 LYS  CD  :A  76 LYS  C   :   -0.431:        0

:  2060:A  36 ASN  O   :A  36 ASN  OD1 :   -0.562:        0
:  2060:A  37 ASP 1HB  :A  36 ASN  O   :   -0.528:        0

:  2060:A  41 ALA 3HB  :A  31 PHE 1HB  :   -0.555:        0

:  2060:A  66 VAL 1HG1 :A  74 LEU 2HD2 :   -0.510:        0
:  2060:A  64 LEU 2HD2 :A  64 LEU  HA  :   -0.488:        0
:  2060:A  74 LEU 3HD1 :A  64 LEU 2HD1 :   -0.454:        0
:  2060:A  64 LEU 3HD1 :A  65 LYS  N   :   -0.446:        0
:  2060:A 108 LEU 3HD1 :A  74 LEU 2HD1 :   -0.442:        0

:  2060:A  88 LYS 1HG  :A  88 LYS  O   :   -0.476:        0

:  2060:A 119 GLU 1HB  :A 118 LEU  O   :   -0.475:        0

:  2060:A  87 ASN 1HB  :A  86 MET  O   :   -0.442:        0

:  2060:A  96 LEU 2HD1 :A  60 ASP 2HB  :   -0.441:        0

:  2060:A 117 ARG  N   :A 113 PHE  O   :   -0.438:        0

:  2060:A  30 VAL 2HG2 :A  42 LEU 3HD1 :   -0.437:        0

:  2060:A  80 ILE 3HD1 :A  77 LYS 1HB  :   -0.418:        0
#sum2 ::9.71 clashscore : 9.71 clashscore B<40 
#summary::2060 atoms:2060 atoms B<40:230226 potential dots:14390.0 A^2:20 bumps:20 bumps B<40:656.2 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2060:A  43 LEU  C   :A  43 LEU 3HD2 :   -0.783:        0
:  2060:A  43 LEU 3HD2 :A  43 LEU  O   :   -0.722:        0
:  2060:A  43 LEU  CD2 :A  43 LEU  C   :   -0.562:        0
:  2060:A   3 ARG  CG  :A  43 LEU 1HD2 :   -0.558:        0
:  2060:A  43 LEU 1HD2 :A   3 ARG 2HG  :   -0.457:        0
:  2060:A  43 LEU  C   :A  44 MET 2HG  :   -0.425:        0
:  2060:A   3 ARG 2HD  :A   3 ARG 1HH1 :   -0.419:        0
:  2060:A  61 VAL  CG2 :A  44 MET  SD  :   -0.405:        0

:  2060:A  41 ALA 3HB  :A  31 PHE 1HB  :   -0.616:        0

:  2060:A  53 ILE 2HD1 :A  51 ILE 1HD1 :   -0.545:        0
:  2060:A  48 ALA 1HB  :A  53 ILE  HB  :   -0.506:        0
:  2060:A  48 ALA 3HB  :A  55 GLY  O   :   -0.487:        0

:  2060:A  74 LEU  HG  :A  80 ILE 1HG2 :   -0.494:        0
:  2060:A  66 VAL 1HG1 :A  74 LEU 2HD2 :   -0.478:        0

:  2060:A  30 VAL 2HG2 :A  42 LEU 3HD1 :   -0.476:        0
:  2060:A  42 LEU 2HD1 :A  29 ALA  O   :   -0.420:        0

:  2060:A  65 LYS  N   :A  64 LEU 3HD1 :   -0.469:        0
:  2060:A  64 LEU 2HD2 :A  64 LEU  HA  :   -0.407:        0

:  2060:A   1 MET  SD  :A   6 PHE  HA  :   -0.465:        0

:  2060:A 119 GLU 1HB  :A 118 LEU  O   :   -0.463:        0

:  2060:A 100 LEU 3HD1 :A 100 LEU  HA  :   -0.454:        0
:  2060:A 100 LEU 2HD2 :A 100 LEU  N   :   -0.449:        0
:  2060:A 100 LEU  N   :A 100 LEU  CD2 :   -0.414:        0

:  2060:A 113 PHE  O   :A 117 ARG  N   :   -0.439:        0

:  2060:A  47 PRO  HA  :A  58 ARG  HA  :   -0.407:        0

:  2060:A  37 ASP 1HB  :A  36 ASN  O   :   -0.400:        0
#sum2 ::12.62 clashscore : 12.62 clashscore B<40 
#summary::2060 atoms:2060 atoms B<40:229945 potential dots:14370.0 A^2:26 bumps:26 bumps B<40:734.5 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2060:A  48 ALA 1HB  :A  53 ILE  HB  :   -0.697:        0

:  2060:A  91 TRP 1HB  :A  87 ASN 2HB  :   -0.655:        0
:  2060:A  87 ASN  O   :A  88 LYS  C   :   -0.502:        0
:  2060:A  89 GLU  C   :A  88 LYS  O   :   -0.496:        0
:  2060:A  87 ASN  O   :A  89 GLU  N   :   -0.475:        0
:  2060:A  83 ALA 3HB  :A  88 LYS  H   :   -0.466:        0
:  2060:A  90 HIS 1HB  :A  91 TRP  CE3 :   -0.412:        0

:  2060:A 108 LEU 2HD2 :A  74 LEU 2HD1 :   -0.642:        0

:  2060:A  76 LYS  C   :A  76 LYS 1HD  :   -0.580:        0
:  2060:A  76 LYS  C   :A  76 LYS  CD  :   -0.444:        0

:  2060:A  43 LEU 3HD2 :A  43 LEU  C   :   -0.563:        0
:  2060:A   3 ARG 2HG  :A  43 LEU 1HD1 :   -0.495:        0

:  2060:A 100 LEU  C   :A  99 PRO  O   :   -0.553:        0

:  2060:A  64 LEU  HA  :A  64 LEU 2HD2 :   -0.507:        0
:  2060:A  64 LEU 3HD1 :A  65 LYS  N   :   -0.438:        0

:  2060:A  80 ILE 2HD1 :A  77 LYS 1HB  :   -0.489:        0

:  2060:A  95 LEU  HA  :A  61 VAL 2HG1 :   -0.433:        0

:  2060:A  96 LEU 2HD1 :A  60 ASP 2HB  :   -0.421:        0

:  2060:A 116 THR  O   :A 118 LEU  N   :   -0.414:        0
#sum2 ::9.22 clashscore : 9.22 clashscore B<40 
#summary::2060 atoms:2060 atoms B<40:230287 potential dots:14390.0 A^2:19 bumps:19 bumps B<40:664.1 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2060:A  44 MET  N   :A  43 LEU 3HD2 :   -0.632:        0
:  2060:A  42 LEU  C   :A  42 LEU 2HD1 :   -0.594:        0
:  2060:A  43 LEU 3HD2 :A  43 LEU  C   :   -0.540:        0
:  2060:A  42 LEU 2HD1 :A  42 LEU  O   :   -0.485:        0
:  2060:A  42 LEU 1HD1 :A  44 MET  CE  :   -0.423:        0

:  2060:A  84 TYR  O   :A  85 HIS  C   :   -0.570:        0
:  2060:A  86 MET  N   :A  84 TYR  O   :   -0.490:        0

:  2060:A  48 ALA 1HB  :A  53 ILE  HB  :   -0.541:        0
:  2060:A  51 ILE 1HD1 :A  53 ILE 2HD1 :   -0.540:        0

:  2060:A  36 ASN  O   :A  38 LYS  N   :   -0.528:        0
:  2060:A  36 ASN 2HB  :A  33 HIS  CB  :   -0.480:        0

:  2060:A  41 ALA 3HB  :A  31 PHE 1HB  :   -0.497:        0
:  2060:A  31 PHE  CD1 :A  31 PHE  N   :   -0.416:        0

:  2060:A  64 LEU 1HD2 :A 109 ILE  HA  :   -0.484:        0
:  2060:A  64 LEU 2HD2 :A  64 LEU  HA  :   -0.431:        0

:  2060:A 117 ARG  N   :A 113 PHE  O   :   -0.460:        0

:  2060:A   5 GLN 2HG  :A   1 MET  HA  :   -0.442:        0

:  2060:A 100 LEU 3HD1 :A 100 LEU  HA  :   -0.439:        0

:  2060:A  66 VAL 1HG1 :A  74 LEU  CD2 :   -0.405:        0
#sum2 ::9.22 clashscore : 9.22 clashscore B<40 
#summary::2060 atoms:2060 atoms B<40:230231 potential dots:14390.0 A^2:19 bumps:19 bumps B<40:735.5 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2060:A  39 TRP  H   :A  39 TRP  HD1 :   -0.788:        0
:  2060:A  39 TRP  CD1 :A  39 TRP  N   :   -0.450:        0

:  2060:A 108 LEU 2HD2 :A  74 LEU 2HD1 :   -0.760:        0
:  2060:A  80 ILE 2HD1 :A  77 LYS 1HB  :   -0.463:        0
:  2060:A  80 ILE 3HD1 :A  74 LEU  HG  :   -0.411:        0

:  2060:A 100 LEU  O   :A 100 LEU 2HD1 :   -0.737:        0
:  2060:A 100 LEU 2HD1 :A 100 LEU  C   :   -0.590:        0
:  2060:A 100 LEU  C   :A 100 LEU  CD1 :   -0.452:        0
:  2060:A 105 ILE 2HG1 :A 100 LEU 3HD1 :   -0.418:        0

:  2060:A 116 THR  O   :A 117 ARG  C   :   -0.460:        0

:  2060:A  11 GLN 1HG  :A   7 ILE  O   :   -0.444:        0

:  2060:A 122 HIS  O   :A 121 HIS  O   :   -0.443:        0

:  2060:A  87 ASN 2HB  :A  90 HIS 1HB  :   -0.442:        0
:  2060:A  87 ASN  O   :A  89 GLU  N   :   -0.403:        0

:  2060:A  41 ALA 3HB  :A  31 PHE 1HB  :   -0.432:        0

:  2060:A  37 ASP  O   :A  38 LYS 1HB  :   -0.429:        0

:  2060:A  43 LEU  C   :A  43 LEU  CD2 :   -0.426:        0

:  2060:A  64 LEU 2HD2 :A  64 LEU  HA  :   -0.401:        0
#sum2 ::8.74 clashscore : 8.74 clashscore B<40 
#summary::2060 atoms:2060 atoms B<40:230076 potential dots:14380.0 A^2:18 bumps:18 bumps B<40:703.2 score

Output from PDB validation software

Summary from PDB validation

                                                       May. 10, 15:30:45 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.

      none



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   0.018 Angstroms

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

    *** Covalent Angle Values:


The RMS deviation for covalent angles relative to the standard 
dictionary is    1.2 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       ASN        2      1HD2
  1    A       ASN        2      2HD2
  1    A       GLN        4      1HE2
  1    A       GLN        4      2HE2
  1    A       GLN        5      1HE2
  1    A       GLN        5      2HE2
  1    A       GLN       11      1HE2
  1    A       GLN       11      2HE2
  1    A       ASN       36      1HD2
  1    A       ASN       36      2HD2
  1    A       ASN       54      1HD2
  1    A       ASN       54      2HD2
  1    A       GLN       67      1HE2
  1    A       GLN       67      2HE2
  1    A       ASN       87      1HD2
  1    A       ASN       87      2HD2
  1    A       ASN       97      1HD2
  1    A       ASN       97      2HD2
  1    A       GLN      114      1HE2
  1    A       GLN      114      2HE2
  2    A       ASN        2      1HD2
  2    A       ASN        2      2HD2
  2    A       GLN        4      1HE2
  2    A       GLN        4      2HE2
  2    A       GLN        5      1HE2
  2    A       GLN        5      2HE2
  2    A       GLN       11      1HE2
  2    A       GLN       11      2HE2
  2    A       ASN       36      1HD2
  2    A       ASN       36      2HD2
  2    A       ASN       54      1HD2
  2    A       ASN       54      2HD2
  2    A       GLN       67      1HE2
  2    A       GLN       67      2HE2
  2    A       ASN       87      1HD2
  2    A       ASN       87      2HD2
  2    A       ASN       97      1HD2
  2    A       ASN       97      2HD2
  2    A       GLN      114      1HE2
  2    A       GLN      114      2HE2
  3    A       ASN        2      1HD2
  3    A       ASN        2      2HD2
  3    A       GLN        4      1HE2
  3    A       GLN        4      2HE2
  3    A       GLN        5      1HE2
  3    A       GLN        5      2HE2
  3    A       GLN       11      1HE2
  3    A       GLN       11      2HE2
  3    A       ASN       36      1HD2
  3    A       ASN       36      2HD2
  3    A       ASN       54      1HD2
  3    A       ASN       54      2HD2
  3    A       GLN       67      1HE2
  3    A       GLN       67      2HE2
  3    A       ASN       87      1HD2
  3    A       ASN       87      2HD2
  3    A       ASN       97      1HD2
  3    A       ASN       97      2HD2
  3    A       GLN      114      1HE2
  3    A       GLN      114      2HE2
  4    A       ASN        2      1HD2
  4    A       ASN        2      2HD2
  4    A       GLN        4      1HE2
  4    A       GLN        4      2HE2
  4    A       GLN        5      1HE2
  4    A       GLN        5      2HE2
  4    A       GLN       11      1HE2
  4    A       GLN       11      2HE2
  4    A       ASN       36      1HD2
  4    A       ASN       36      2HD2
  4    A       ASN       54      1HD2
  4    A       ASN       54      2HD2
  4    A       GLN       67      1HE2
  4    A       GLN       67      2HE2
  4    A       ASN       87      1HD2
  4    A       ASN       87      2HD2
  4    A       ASN       97      1HD2
  4    A       ASN       97      2HD2
  4    A       GLN      114      1HE2
  4    A       GLN      114      2HE2
  5    A       ASN        2      1HD2
  5    A       ASN        2      2HD2
  5    A       GLN        4      1HE2
  5    A       GLN        4      2HE2
  5    A       GLN        5      1HE2
  5    A       GLN        5      2HE2
  5    A       GLN       11      1HE2
  5    A       GLN       11      2HE2
  5    A       ASN       36      1HD2
  5    A       ASN       36      2HD2
  5    A       ASN       54      1HD2
  5    A       ASN       54      2HD2
  5    A       GLN       67      1HE2
  5    A       GLN       67      2HE2
  5    A       ASN       87      1HD2
  5    A       ASN       87      2HD2
  5    A       ASN       97      1HD2
  5    A       ASN       97      2HD2
  5    A       GLN      114      1HE2
  5    A       GLN      114      2HE2
  6    A       ASN        2      1HD2
  6    A       ASN        2      2HD2
  6    A       GLN        4      1HE2
  6    A       GLN        4      2HE2
  6    A       GLN        5      1HE2
  6    A       GLN        5      2HE2
  6    A       GLN       11      1HE2
  6    A       GLN       11      2HE2
  6    A       ASN       36      1HD2
  6    A       ASN       36      2HD2
  6    A       ASN       54      1HD2
  6    A       ASN       54      2HD2
  6    A       GLN       67      1HE2
  6    A       GLN       67      2HE2
  6    A       ASN       87      1HD2
  6    A       ASN       87      2HD2
  6    A       ASN       97      1HD2
  6    A       ASN       97      2HD2
  6    A       GLN      114      1HE2
  6    A       GLN      114      2HE2
  7    A       ASN        2      1HD2
  7    A       ASN        2      2HD2
  7    A       GLN        4      1HE2
  7    A       GLN        4      2HE2
  7    A       GLN        5      1HE2
  7    A       GLN        5      2HE2
  7    A       GLN       11      1HE2
  7    A       GLN       11      2HE2
  7    A       ASN       36      1HD2
  7    A       ASN       36      2HD2
  7    A       ASN       54      1HD2
  7    A       ASN       54      2HD2
  7    A       GLN       67      1HE2
  7    A       GLN       67      2HE2
  7    A       ASN       87      1HD2
  7    A       ASN       87      2HD2
  7    A       ASN       97      1HD2
  7    A       ASN       97      2HD2
  7    A       GLN      114      1HE2
  7    A       GLN      114      2HE2
  8    A       ASN        2      1HD2
  8    A       ASN        2      2HD2
  8    A       GLN        4      1HE2
  8    A       GLN        4      2HE2
  8    A       GLN        5      1HE2
  8    A       GLN        5      2HE2
  8    A       GLN       11      1HE2
  8    A       GLN       11      2HE2
  8    A       ASN       36      1HD2
  8    A       ASN       36      2HD2
  8    A       ASN       54      1HD2
  8    A       ASN       54      2HD2
  8    A       GLN       67      1HE2
  8    A       GLN       67      2HE2
  8    A       ASN       87      1HD2
  8    A       ASN       87      2HD2
  8    A       ASN       97      1HD2
  8    A       ASN       97      2HD2
  8    A       GLN      114      1HE2
  8    A       GLN      114      2HE2
  9    A       ASN        2      1HD2
  9    A       ASN        2      2HD2
  9    A       GLN        4      1HE2
  9    A       GLN        4      2HE2
  9    A       GLN        5      1HE2
  9    A       GLN        5      2HE2
  9    A       GLN       11      1HE2
  9    A       GLN       11      2HE2
  9    A       ASN       36      1HD2
  9    A       ASN       36      2HD2
  9    A       ASN       54      1HD2
  9    A       ASN       54      2HD2
  9    A       GLN       67      1HE2
  9    A       GLN       67      2HE2
  9    A       ASN       87      1HD2
  9    A       ASN       87      2HD2
  9    A       ASN       97      1HD2
  9    A       ASN       97      2HD2
  9    A       GLN      114      1HE2
  9    A       GLN      114      2HE2
 10    A       ASN        2      1HD2
 10    A       ASN        2      2HD2
 10    A       GLN        4      1HE2
 10    A       GLN        4      2HE2
 10    A       GLN        5      1HE2
 10    A       GLN        5      2HE2
 10    A       GLN       11      1HE2
 10    A       GLN       11      2HE2
 10    A       ASN       36      1HD2
 10    A       ASN       36      2HD2
 10    A       ASN       54      1HD2
 10    A       ASN       54      2HD2
 10    A       GLN       67      1HE2
 10    A       GLN       67      2HE2
 10    A       ASN       87      1HD2
 10    A       ASN       87      2HD2
 10    A       ASN       97      1HD2
 10    A       ASN       97      2HD2
 10    A       GLN      114      1HE2
 10    A       GLN      114      2HE2
 11    A       ASN        2      1HD2
 11    A       ASN        2      2HD2
 11    A       GLN        4      1HE2
 11    A       GLN        4      2HE2
 11    A       GLN        5      1HE2
 11    A       GLN        5      2HE2
 11    A       GLN       11      1HE2
 11    A       GLN       11      2HE2
 11    A       ASN       36      1HD2
 11    A       ASN       36      2HD2
 11    A       ASN       54      1HD2
 11    A       ASN       54      2HD2
 11    A       GLN       67      1HE2
 11    A       GLN       67      2HE2
 11    A       ASN       87      1HD2
 11    A       ASN       87      2HD2
 11    A       ASN       97      1HD2
 11    A       ASN       97      2HD2
 11    A       GLN      114      1HE2
 11    A       GLN      114      2HE2
 12    A       ASN        2      1HD2
 12    A       ASN        2      2HD2
 12    A       GLN        4      1HE2
 12    A       GLN        4      2HE2
 12    A       GLN        5      1HE2
 12    A       GLN        5      2HE2
 12    A       GLN       11      1HE2
 12    A       GLN       11      2HE2
 12    A       ASN       36      1HD2
 12    A       ASN       36      2HD2
 12    A       ASN       54      1HD2
 12    A       ASN       54      2HD2
 12    A       GLN       67      1HE2
 12    A       GLN       67      2HE2
 12    A       ASN       87      1HD2
 12    A       ASN       87      2HD2
 12    A       ASN       97      1HD2
 12    A       ASN       97      2HD2
 12    A       GLN      114      1HE2
 12    A       GLN      114      2HE2
 13    A       ASN        2      1HD2
 13    A       ASN        2      2HD2
 13    A       GLN        4      1HE2
 13    A       GLN        4      2HE2
 13    A       GLN        5      1HE2
 13    A       GLN        5      2HE2
 13    A       GLN       11      1HE2
 13    A       GLN       11      2HE2
 13    A       ASN       36      1HD2
 13    A       ASN       36      2HD2
 13    A       ASN       54      1HD2
 13    A       ASN       54      2HD2
 13    A       GLN       67      1HE2
 13    A       GLN       67      2HE2
 13    A       ASN       87      1HD2
 13    A       ASN       87      2HD2
 13    A       ASN       97      1HD2
 13    A       ASN       97      2HD2
 13    A       GLN      114      1HE2
 13    A       GLN      114      2HE2
 14    A       ASN        2      1HD2
 14    A       ASN        2      2HD2
 14    A       GLN        4      1HE2
 14    A       GLN        4      2HE2
 14    A       GLN        5      1HE2
 14    A       GLN        5      2HE2
 14    A       GLN       11      1HE2
 14    A       GLN       11      2HE2
 14    A       ASN       36      1HD2
 14    A       ASN       36      2HD2
 14    A       ASN       54      1HD2
 14    A       ASN       54      2HD2
 14    A       GLN       67      1HE2
 14    A       GLN       67      2HE2
 14    A       ASN       87      1HD2
 14    A       ASN       87      2HD2
 14    A       ASN       97      1HD2
 14    A       ASN       97      2HD2
 14    A       GLN      114      1HE2
 14    A       GLN      114      2HE2
 15    A       ASN        2      1HD2
 15    A       ASN        2      2HD2
 15    A       GLN        4      1HE2
 15    A       GLN        4      2HE2
 15    A       GLN        5      1HE2
 15    A       GLN        5      2HE2
 15    A       GLN       11      1HE2
 15    A       GLN       11      2HE2
 15    A       ASN       36      1HD2
 15    A       ASN       36      2HD2
 15    A       ASN       54      1HD2
 15    A       ASN       54      2HD2
 15    A       GLN       67      1HE2
 15    A       GLN       67      2HE2
 15    A       ASN       87      1HD2
 15    A       ASN       87      2HD2
 15    A       ASN       97      1HD2
 15    A       ASN       97      2HD2
 15    A       GLN      114      1HE2
 15    A       GLN      114      2HE2
 16    A       ASN        2      1HD2
 16    A       ASN        2      2HD2
 16    A       GLN        4      1HE2
 16    A       GLN        4      2HE2
 16    A       GLN        5      1HE2
 16    A       GLN        5      2HE2
 16    A       GLN       11      1HE2
 16    A       GLN       11      2HE2
 16    A       ASN       36      1HD2
 16    A       ASN       36      2HD2
 16    A       ASN       54      1HD2
 16    A       ASN       54      2HD2
 16    A       GLN       67      1HE2
 16    A       GLN       67      2HE2
 16    A       ASN       87      1HD2
 16    A       ASN       87      2HD2
 16    A       ASN       97      1HD2
 16    A       ASN       97      2HD2
 16    A       GLN      114      1HE2
 16    A       GLN      114      2HE2
 17    A       ASN        2      1HD2
 17    A       ASN        2      2HD2
 17    A       GLN        4      1HE2
 17    A       GLN        4      2HE2
 17    A       GLN        5      1HE2
 17    A       GLN        5      2HE2
 17    A       GLN       11      1HE2
 17    A       GLN       11      2HE2
 17    A       ASN       36      1HD2
 17    A       ASN       36      2HD2
 17    A       ASN       54      1HD2
 17    A       ASN       54      2HD2
 17    A       GLN       67      1HE2
 17    A       GLN       67      2HE2
 17    A       ASN       87      1HD2
 17    A       ASN       87      2HD2
 17    A       ASN       97      1HD2
 17    A       ASN       97      2HD2
 17    A       GLN      114      1HE2
 17    A       GLN      114      2HE2
 18    A       ASN        2      1HD2
 18    A       ASN        2      2HD2
 18    A       GLN        4      1HE2
 18    A       GLN        4      2HE2
 18    A       GLN        5      1HE2
 18    A       GLN        5      2HE2
 18    A       GLN       11      1HE2
 18    A       GLN       11      2HE2
 18    A       ASN       36      1HD2
 18    A       ASN       36      2HD2
 18    A       ASN       54      1HD2
 18    A       ASN       54      2HD2
 18    A       GLN       67      1HE2
 18    A       GLN       67      2HE2
 18    A       ASN       87      1HD2
 18    A       ASN       87      2HD2
 18    A       ASN       97      1HD2
 18    A       ASN       97      2HD2
 18    A       GLN      114      1HE2
 18    A       GLN      114      2HE2
 19    A       ASN        2      1HD2
 19    A       ASN        2      2HD2
 19    A       GLN        4      1HE2
 19    A       GLN        4      2HE2
 19    A       GLN        5      1HE2
 19    A       GLN        5      2HE2
 19    A       GLN       11      1HE2
 19    A       GLN       11      2HE2
 19    A       ASN       36      1HD2
 19    A       ASN       36      2HD2
 19    A       ASN       54      1HD2
 19    A       ASN       54      2HD2
 19    A       GLN       67      1HE2
 19    A       GLN       67      2HE2
 19    A       ASN       87      1HD2
 19    A       ASN       87      2HD2
 19    A       ASN       97      1HD2
 19    A       ASN       97      2HD2
 19    A       GLN      114      1HE2
 19    A       GLN      114      2HE2
 20    A       ASN        2      1HD2
 20    A       ASN        2      2HD2
 20    A       GLN        4      1HE2
 20    A       GLN        4      2HE2
 20    A       GLN        5      1HE2
 20    A       GLN        5      2HE2
 20    A       GLN       11      1HE2
 20    A       GLN       11      2HE2
 20    A       ASN       36      1HD2
 20    A       ASN       36      2HD2
 20    A       ASN       54      1HD2
 20    A       ASN       54      2HD2
 20    A       GLN       67      1HE2
 20    A       GLN       67      2HE2
 20    A       ASN       87      1HD2
 20    A       ASN       87      2HD2
 20    A       ASN       97      1HD2
 20    A       ASN       97      2HD2
 20    A       GLN      114      1HE2
 20    A       GLN      114      2HE2

OTHER IMPORTANT ISSUES



==> The following residues have missing atoms:                        

     RES MOD#C SEQ          ATOMS

     ASP(  1 A   8)         HD2 
     ASP(  1 A  15)         HD2 
     ASP(  1 A  19)         HD2 
     HIS(  1 A  20)         HE2 
     GLU(  1 A  23)         HE2 
     ASP(  1 A  27)         HD2 
     HIS(  1 A  33)         HE2 
     ASP(  1 A  35)         HD2 
     ASP(  1 A  37)         HD2 
     ASP(  1 A  45)         HD2 
     GLU(  1 A  49)         HE2 
     ASP(  1 A  56)         HD2 
     ASP(  1 A  60)         HD2 
     ASP(  1 A  63)         HD2 
     GLU(  1 A  69)         HE2 
     HIS(  1 A  85)         HE2 
     GLU(  1 A  89)         HE2 
     HIS(  1 A  90)         HE2 
     GLU(  1 A 104)         HE2 
     HIS(  1 A 106)         HE2 
     GLU(  1 A 110)         HE2 
     ASP(  1 A 111)         HD2 
     GLU(  1 A 119)         HE2 
     HIS(  1 A 120)         HD1 
     HIS(  1 A 121)         HD1 
     HIS(  1 A 122)         HD1 
     HIS(  1 A 123)         HD1 
     HIS(  1 A 124)         HE2 
     HIS(  1 A 125)         HE2 
     ASP(  2 A   8)         HD2 
     ASP(  2 A  15)         HD2 
     ASP(  2 A  19)         HD2 
     HIS(  2 A  20)         HE2 
     GLU(  2 A  23)         HE2 
     ASP(  2 A  27)         HD2 
     HIS(  2 A  33)         HE2 
     ASP(  2 A  35)         HD2 
     ASP(  2 A  37)         HD2 
     ASP(  2 A  45)         HD2 
     GLU(  2 A  49)         HE2 
     ASP(  2 A  56)         HD2 
     ASP(  2 A  60)         HD2 
     ASP(  2 A  63)         HD2 
     GLU(  2 A  69)         HE2 
     HIS(  2 A  85)         HE2 
     GLU(  2 A  89)         HE2 
     HIS(  2 A  90)         HE2 
     GLU(  2 A 104)         HE2 
     HIS(  2 A 106)         HE2 
     GLU(  2 A 110)         HE2 
     ASP(  2 A 111)         HD2 
     GLU(  2 A 119)         HE2 
     HIS(  2 A 120)         HE2 
     HIS(  2 A 121)         HD1 
     HIS(  2 A 122)         HE2 
     HIS(  2 A 123)         HD1 
     HIS(  2 A 124)         HE2 
     HIS(  2 A 125)         HD1 
     ASP(  3 A   8)         HD2 
     ASP(  3 A  15)         HD2 
     ASP(  3 A  19)         HD2 
     HIS(  3 A  20)         HE2 
     GLU(  3 A  23)         HE2 
     ASP(  3 A  27)         HD2 
     HIS(  3 A  33)         HE2 
     ASP(  3 A  35)         HD2 
     ASP(  3 A  37)         HD2 
     ASP(  3 A  45)         HD2 
     GLU(  3 A  49)         HE2 
     ASP(  3 A  56)         HD2 
     ASP(  3 A  60)         HD2 
     ASP(  3 A  63)         HD2 
     GLU(  3 A  69)         HE2 
     HIS(  3 A  85)         HE2 
     GLU(  3 A  89)         HE2 
     HIS(  3 A  90)         HE2 
     GLU(  3 A 104)         HE2 
     HIS(  3 A 106)         HE2 
     GLU(  3 A 110)         HE2 
     ASP(  3 A 111)         HD2 
     GLU(  3 A 119)         HE2 
     HIS(  3 A 120)         HE2 
     HIS(  3 A 121)         HD1 
     HIS(  3 A 122)         HE2 
     HIS(  3 A 123)         HE2 
     HIS(  3 A 124)         HE2 
     HIS(  3 A 125)         HD1 
     ASP(  4 A   8)         HD2 
     ASP(  4 A  15)         HD2 
     ASP(  4 A  19)         HD2 
     HIS(  4 A  20)         HE2 
     GLU(  4 A  23)         HE2 
     ASP(  4 A  27)         HD2 
     HIS(  4 A  33)         HE2 
     ASP(  4 A  35)         HD2 
     ASP(  4 A  37)         HD2 
     ASP(  4 A  45)         HD2 
     GLU(  4 A  49)         HE2 
     ASP(  4 A  56)         HD2 
     ASP(  4 A  60)         HD2 
     ASP(  4 A  63)         HD2 
     GLU(  4 A  69)         HE2 
     HIS(  4 A  85)         HE2 
     GLU(  4 A  89)         HE2 
     HIS(  4 A  90)         HE2 
     GLU(  4 A 104)         HE2 
     HIS(  4 A 106)         HE2 
     GLU(  4 A 110)         HE2 
     ASP(  4 A 111)         HD2 
     GLU(  4 A 119)         HE2 
     HIS(  4 A 120)         HE2 
     HIS(  4 A 121)         HE2 
     HIS(  4 A 122)         HE2 
     HIS(  4 A 123)         HD1 
     HIS(  4 A 124)         HE2 
     HIS(  4 A 125)         HE2 
     ASP(  5 A   8)         HD2 
     ASP(  5 A  15)         HD2 
     ASP(  5 A  19)         HD2 
     HIS(  5 A  20)         HE2 
     GLU(  5 A  23)         HE2 
     ASP(  5 A  27)         HD2 
     HIS(  5 A  33)         HE2 
     ASP(  5 A  35)         HD2 
     ASP(  5 A  37)         HD2 
     ASP(  5 A  45)         HD2 
     GLU(  5 A  49)         HE2 
     ASP(  5 A  56)         HD2 
     ASP(  5 A  60)         HD2 
     ASP(  5 A  63)         HD2 
     GLU(  5 A  69)         HE2 
     HIS(  5 A  85)         HE2 
     GLU(  5 A  89)         HE2 
     HIS(  5 A  90)         HE2 
     GLU(  5 A 104)         HE2 
     HIS(  5 A 106)         HE2 
     GLU(  5 A 110)         HE2 
     ASP(  5 A 111)         HD2 
     GLU(  5 A 119)         HE2 
     HIS(  5 A 120)         HE2 
     HIS(  5 A 121)         HD1 
     HIS(  5 A 122)         HE2 
     HIS(  5 A 123)         HD1 
     HIS(  5 A 124)         HE2 
     HIS(  5 A 125)         HE2 
     ASP(  6 A   8)         HD2 
     ASP(  6 A  15)         HD2 
     ASP(  6 A  19)         HD2 
     HIS(  6 A  20)         HE2 
     GLU(  6 A  23)         HE2 
     ASP(  6 A  27)         HD2 
     HIS(  6 A  33)         HE2 
     ASP(  6 A  35)         HD2 
     ASP(  6 A  37)         HD2 
     ASP(  6 A  45)         HD2 
     GLU(  6 A  49)         HE2 
     ASP(  6 A  56)         HD2 
     ASP(  6 A  60)         HD2 
     ASP(  6 A  63)         HD2 
     GLU(  6 A  69)         HE2 
     HIS(  6 A  85)         HE2 
     GLU(  6 A  89)         HE2 
     HIS(  6 A  90)         HE2 
     GLU(  6 A 104)         HE2 
     HIS(  6 A 106)         HE2 
     GLU(  6 A 110)         HE2 
     ASP(  6 A 111)         HD2 
     GLU(  6 A 119)         HE2 
     HIS(  6 A 120)         HD1 
     HIS(  6 A 121)         HE2 
     HIS(  6 A 122)         HE2 
     HIS(  6 A 123)         HD1 
     HIS(  6 A 124)         HD1 
     HIS(  6 A 125)         HE2 
     ASP(  7 A   8)         HD2 
     ASP(  7 A  15)         HD2 
     ASP(  7 A  19)         HD2 
     HIS(  7 A  20)         HE2 
     GLU(  7 A  23)         HE2 
     ASP(  7 A  27)         HD2 
     HIS(  7 A  33)         HE2 
     ASP(  7 A  35)         HD2 
     ASP(  7 A  37)         HD2 
     ASP(  7 A  45)         HD2 
     GLU(  7 A  49)         HE2 
     ASP(  7 A  56)         HD2 
     ASP(  7 A  60)         HD2 
     ASP(  7 A  63)         HD2 
     GLU(  7 A  69)         HE2 
     HIS(  7 A  85)         HE2 
     GLU(  7 A  89)         HE2 
     HIS(  7 A  90)         HE2 
     GLU(  7 A 104)         HE2 
     HIS(  7 A 106)         HE2 
     GLU(  7 A 110)         HE2 
     ASP(  7 A 111)         HD2 
     GLU(  7 A 119)         HE2 
     HIS(  7 A 120)         HD1 
     HIS(  7 A 121)         HE2 
     HIS(  7 A 122)         HD1 
     HIS(  7 A 123)         HE2 
     HIS(  7 A 124)         HD1 
     HIS(  7 A 125)         HD1 
     ASP(  8 A   8)         HD2 
     ASP(  8 A  15)         HD2 
     ASP(  8 A  19)         HD2 
     HIS(  8 A  20)         HE2 
     GLU(  8 A  23)         HE2 
     ASP(  8 A  27)         HD2 
     HIS(  8 A  33)         HE2 
     ASP(  8 A  35)         HD2 
     ASP(  8 A  37)         HD2 
     ASP(  8 A  45)         HD2 
     GLU(  8 A  49)         HE2 
     ASP(  8 A  56)         HD2 
     ASP(  8 A  60)         HD2 
     ASP(  8 A  63)         HD2 
     GLU(  8 A  69)         HE2 
     HIS(  8 A  85)         HE2 
     GLU(  8 A  89)         HE2 
     HIS(  8 A  90)         HE2 
     GLU(  8 A 104)         HE2 
     HIS(  8 A 106)         HE2 
     GLU(  8 A 110)         HE2 
     ASP(  8 A 111)         HD2 
     GLU(  8 A 119)         HE2 
     HIS(  8 A 120)         HD1 
     HIS(  8 A 121)         HE2 
     HIS(  8 A 122)         HE2 
     HIS(  8 A 123)         HD1 
     HIS(  8 A 124)         HE2 
     HIS(  8 A 125)         HD1 
     ASP(  9 A   8)         HD2 
     ASP(  9 A  15)         HD2 
     ASP(  9 A  19)         HD2 
     HIS(  9 A  20)         HE2 
     GLU(  9 A  23)         HE2 
     ASP(  9 A  27)         HD2 
     HIS(  9 A  33)         HE2 
     ASP(  9 A  35)         HD2 
     ASP(  9 A  37)         HD2 
     ASP(  9 A  45)         HD2 
     GLU(  9 A  49)         HE2 
     ASP(  9 A  56)         HD2 
     ASP(  9 A  60)         HD2 
     ASP(  9 A  63)         HD2 
     GLU(  9 A  69)         HE2 
     HIS(  9 A  85)         HE2 
     GLU(  9 A  89)         HE2 
     HIS(  9 A  90)         HE2 
     GLU(  9 A 104)         HE2 
     HIS(  9 A 106)         HE2 
     GLU(  9 A 110)         HE2 
     ASP(  9 A 111)         HD2 
     GLU(  9 A 119)         HE2 
     HIS(  9 A 120)         HD1 
     HIS(  9 A 121)         HD1 
     HIS(  9 A 122)         HE2 
     HIS(  9 A 123)         HD1 
     HIS(  9 A 124)         HD1 
     HIS(  9 A 125)         HD1 
     ASP( 10 A   8)         HD2 
     ASP( 10 A  15)         HD2 
     ASP( 10 A  19)         HD2 
     HIS( 10 A  20)         HE2 
     GLU( 10 A  23)         HE2 
     ASP( 10 A  27)         HD2 
     HIS( 10 A  33)         HE2 
     ASP( 10 A  35)         HD2 
     ASP( 10 A  37)         HD2 
     ASP( 10 A  45)         HD2 
     GLU( 10 A  49)         HE2 
     ASP( 10 A  56)         HD2 
     ASP( 10 A  60)         HD2 
     ASP( 10 A  63)         HD2 
     GLU( 10 A  69)         HE2 
     HIS( 10 A  85)         HE2 
     GLU( 10 A  89)         HE2 
     HIS( 10 A  90)         HE2 
     GLU( 10 A 104)         HE2 
     HIS( 10 A 106)         HE2 
     GLU( 10 A 110)         HE2 
     ASP( 10 A 111)         HD2 
     GLU( 10 A 119)         HE2 
     HIS( 10 A 120)         HD1 
     HIS( 10 A 121)         HD1 
     HIS( 10 A 122)         HE2 
     HIS( 10 A 123)         HE2 
     HIS( 10 A 124)         HD1 
     HIS( 10 A 125)         HD1 
     ASP( 11 A   8)         HD2 
     ASP( 11 A  15)         HD2 
     ASP( 11 A  19)         HD2 
     HIS( 11 A  20)         HE2 
     GLU( 11 A  23)         HE2 
     ASP( 11 A  27)         HD2 
     HIS( 11 A  33)         HE2 
     ASP( 11 A  35)         HD2 
     ASP( 11 A  37)         HD2 
     ASP( 11 A  45)         HD2 
     GLU( 11 A  49)         HE2 
     ASP( 11 A  56)         HD2 
     ASP( 11 A  60)         HD2 
     ASP( 11 A  63)         HD2 
     GLU( 11 A  69)         HE2 
     HIS( 11 A  85)         HE2 
     GLU( 11 A  89)         HE2 
     HIS( 11 A  90)         HE2 
     GLU( 11 A 104)         HE2 
     HIS( 11 A 106)         HE2 
     GLU( 11 A 110)         HE2 
     ASP( 11 A 111)         HD2 
     GLU( 11 A 119)         HE2 
     HIS( 11 A 120)         HE2 
     HIS( 11 A 121)         HD1 
     HIS( 11 A 122)         HE2 
     HIS( 11 A 123)         HD1 
     HIS( 11 A 124)         HE2 
     HIS( 11 A 125)         HD1 
     ASP( 12 A   8)         HD2 
     ASP( 12 A  15)         HD2 
     ASP( 12 A  19)         HD2 
     HIS( 12 A  20)         HE2 
     GLU( 12 A  23)         HE2 
     ASP( 12 A  27)         HD2 
     HIS( 12 A  33)         HE2 
     ASP( 12 A  35)         HD2 
     ASP( 12 A  37)         HD2 
     ASP( 12 A  45)         HD2 
     GLU( 12 A  49)         HE2 
     ASP( 12 A  56)         HD2 
     ASP( 12 A  60)         HD2 
     ASP( 12 A  63)         HD2 
     GLU( 12 A  69)         HE2 
     HIS( 12 A  85)         HE2 
     GLU( 12 A  89)         HE2 
     HIS( 12 A  90)         HE2 
     GLU( 12 A 104)         HE2 
     HIS( 12 A 106)         HE2 
     GLU( 12 A 110)         HE2 
     ASP( 12 A 111)         HD2 
     GLU( 12 A 119)         HE2 
     HIS( 12 A 120)         HE2 
     HIS( 12 A 121)         HE2 
     HIS( 12 A 122)         HE2 
     HIS( 12 A 123)         HE2 
     HIS( 12 A 124)         HE2 
     HIS( 12 A 125)         HD1 
     ASP( 13 A   8)         HD2 
     ASP( 13 A  15)         HD2 
     ASP( 13 A  19)         HD2 
     HIS( 13 A  20)         HE2 
     GLU( 13 A  23)         HE2 
     ASP( 13 A  27)         HD2 
     HIS( 13 A  33)         HE2 
     ASP( 13 A  35)         HD2 
     ASP( 13 A  37)         HD2 
     ASP( 13 A  45)         HD2 
     GLU( 13 A  49)         HE2 
     ASP( 13 A  56)         HD2 
     ASP( 13 A  60)         HD2 
     ASP( 13 A  63)         HD2 
     GLU( 13 A  69)         HE2 
     HIS( 13 A  85)         HE2 
     GLU( 13 A  89)         HE2 
     HIS( 13 A  90)         HE2 
     GLU( 13 A 104)         HE2 
     HIS( 13 A 106)         HE2 
     GLU( 13 A 110)         HE2 
     ASP( 13 A 111)         HD2 
     GLU( 13 A 119)         HE2 
     HIS( 13 A 120)         HE2 
     HIS( 13 A 121)         HD1 
     HIS( 13 A 122)         HD1 
     HIS( 13 A 123)         HD1 
     HIS( 13 A 124)         HE2 
     HIS( 13 A 125)         HD1 
     ASP( 14 A   8)         HD2 
     ASP( 14 A  15)         HD2 
     ASP( 14 A  19)         HD2 
     HIS( 14 A  20)         HE2 
     GLU( 14 A  23)         HE2 
     ASP( 14 A  27)         HD2 
     HIS( 14 A  33)         HE2 
     ASP( 14 A  35)         HD2 
     ASP( 14 A  37)         HD2 
     ASP( 14 A  45)         HD2 
     GLU( 14 A  49)         HE2 
     ASP( 14 A  56)         HD2 
     ASP( 14 A  60)         HD2 
     ASP( 14 A  63)         HD2 
     GLU( 14 A  69)         HE2 
     HIS( 14 A  85)         HE2 
     GLU( 14 A  89)         HE2 
     HIS( 14 A  90)         HE2 
     GLU( 14 A 104)         HE2 
     HIS( 14 A 106)         HE2 
     GLU( 14 A 110)         HE2 
     ASP( 14 A 111)         HD2 
     GLU( 14 A 119)         HE2 
     HIS( 14 A 120)         HE2 
     HIS( 14 A 121)         HD1 
     HIS( 14 A 122)         HE2 
     HIS( 14 A 123)         HD1 
     HIS( 14 A 124)         HE2 
     HIS( 14 A 125)         HE2 
     ASP( 15 A   8)         HD2 
     ASP( 15 A  15)         HD2 
     ASP( 15 A  19)         HD2 
     HIS( 15 A  20)         HE2 
     GLU( 15 A  23)         HE2 
     ASP( 15 A  27)         HD2 
     HIS( 15 A  33)         HE2 
     ASP( 15 A  35)         HD2 
     ASP( 15 A  37)         HD2 
     ASP( 15 A  45)         HD2 
     GLU( 15 A  49)         HE2 
     ASP( 15 A  56)         HD2 
     ASP( 15 A  60)         HD2 
     ASP( 15 A  63)         HD2 
     GLU( 15 A  69)         HE2 
     HIS( 15 A  85)         HE2 
     GLU( 15 A  89)         HE2 
     HIS( 15 A  90)         HE2 
     GLU( 15 A 104)         HE2 
     HIS( 15 A 106)         HE2 
     GLU( 15 A 110)         HE2 
     ASP( 15 A 111)         HD2 
     GLU( 15 A 119)         HE2 
     HIS( 15 A 120)         HD1 
     HIS( 15 A 121)         HD1 
     HIS( 15 A 122)         HE2 
     HIS( 15 A 123)         HD1 
     HIS( 15 A 124)         HD1 
     HIS( 15 A 125)         HD1 
     ASP( 16 A   8)         HD2 
     ASP( 16 A  15)         HD2 
     ASP( 16 A  19)         HD2 
     HIS( 16 A  20)         HE2 
     GLU( 16 A  23)         HE2 
     ASP( 16 A  27)         HD2 
     HIS( 16 A  33)         HE2 
     ASP( 16 A  35)         HD2 
     ASP( 16 A  37)         HD2 
     ASP( 16 A  45)         HD2 
     GLU( 16 A  49)         HE2 
     ASP( 16 A  56)         HD2 
     ASP( 16 A  60)         HD2 
     ASP( 16 A  63)         HD2 
     GLU( 16 A  69)         HE2 
     HIS( 16 A  85)         HE2 
     GLU( 16 A  89)         HE2 
     HIS( 16 A  90)         HE2 
     GLU( 16 A 104)         HE2 
     HIS( 16 A 106)         HE2 
     GLU( 16 A 110)         HE2 
     ASP( 16 A 111)         HD2 
     GLU( 16 A 119)         HE2 
     HIS( 16 A 120)         HE2 
     HIS( 16 A 121)         HD1 
     HIS( 16 A 122)         HE2 
     HIS( 16 A 123)         HD1 
     HIS( 16 A 124)         HD1 
     HIS( 16 A 125)         HD1 
     ASP( 17 A   8)         HD2 
     ASP( 17 A  15)         HD2 
     ASP( 17 A  19)         HD2 
     HIS( 17 A  20)         HE2 
     GLU( 17 A  23)         HE2 
     ASP( 17 A  27)         HD2 
     HIS( 17 A  33)         HE2 
     ASP( 17 A  35)         HD2 
     ASP( 17 A  37)         HD2 
     ASP( 17 A  45)         HD2 
     GLU( 17 A  49)         HE2 
     ASP( 17 A  56)         HD2 
     ASP( 17 A  60)         HD2 
     ASP( 17 A  63)         HD2 
     GLU( 17 A  69)         HE2 
     HIS( 17 A  85)         HE2 
     GLU( 17 A  89)         HE2 
     HIS( 17 A  90)         HE2 
     GLU( 17 A 104)         HE2 
     HIS( 17 A 106)         HE2 
     GLU( 17 A 110)         HE2 
     ASP( 17 A 111)         HD2 
     GLU( 17 A 119)         HE2 
     HIS( 17 A 120)         HE2 
     HIS( 17 A 121)         HD1 
     HIS( 17 A 122)         HE2 
     HIS( 17 A 123)         HE2 
     HIS( 17 A 124)         HD1 
     HIS( 17 A 125)         HD1 
     ASP( 18 A   8)         HD2 
     ASP( 18 A  15)         HD2 
     ASP( 18 A  19)         HD2 
     HIS( 18 A  20)         HE2 
     GLU( 18 A  23)         HE2 
     ASP( 18 A  27)         HD2 
     HIS( 18 A  33)         HE2 
     ASP( 18 A  35)         HD2 
     ASP( 18 A  37)         HD2 
     ASP( 18 A  45)         HD2 
     GLU( 18 A  49)         HE2 
     ASP( 18 A  56)         HD2 
     ASP( 18 A  60)         HD2 
     ASP( 18 A  63)         HD2 
     GLU( 18 A  69)         HE2 
     HIS( 18 A  85)         HE2 
     GLU( 18 A  89)         HE2 
     HIS( 18 A  90)         HE2 
     GLU( 18 A 104)         HE2 
     HIS( 18 A 106)         HE2 
     GLU( 18 A 110)         HE2 
     ASP( 18 A 111)         HD2 
     GLU( 18 A 119)         HE2 
     HIS( 18 A 120)         HD1 
     HIS( 18 A 121)         HE2 
     HIS( 18 A 122)         HD1 
     HIS( 18 A 123)         HE2 
     HIS( 18 A 124)         HE2 
     HIS( 18 A 125)         HD1 
     ASP( 19 A   8)         HD2 
     ASP( 19 A  15)         HD2 
     ASP( 19 A  19)         HD2 
     HIS( 19 A  20)         HE2 
     GLU( 19 A  23)         HE2 
     ASP( 19 A  27)         HD2 
     HIS( 19 A  33)         HE2 
     ASP( 19 A  35)         HD2 
     ASP( 19 A  37)         HD2 
     ASP( 19 A  45)         HD2 
     GLU( 19 A  49)         HE2 
     ASP( 19 A  56)         HD2 
     ASP( 19 A  60)         HD2 
     ASP( 19 A  63)         HD2 
     GLU( 19 A  69)         HE2 
     HIS( 19 A  85)         HE2 
     GLU( 19 A  89)         HE2 
     HIS( 19 A  90)         HE2 
     GLU( 19 A 104)         HE2 
     HIS( 19 A 106)         HE2 
     GLU( 19 A 110)         HE2 
     ASP( 19 A 111)         HD2 
     GLU( 19 A 119)         HE2 
     HIS( 19 A 120)         HE2 
     HIS( 19 A 121)         HD1 
     HIS( 19 A 122)         HD1 
     HIS( 19 A 123)         HE2 
     HIS( 19 A 124)         HD1 
     HIS( 19 A 125)         HE2 
     ASP( 20 A   8)         HD2 
     ASP( 20 A  15)         HD2 
     ASP( 20 A  19)         HD2 
     HIS( 20 A  20)         HE2 
     GLU( 20 A  23)         HE2 
     ASP( 20 A  27)         HD2 
     HIS( 20 A  33)         HE2 
     ASP( 20 A  35)         HD2 
     ASP( 20 A  37)         HD2 
     ASP( 20 A  45)         HD2 
     GLU( 20 A  49)         HE2 
     ASP( 20 A  56)         HD2 
     ASP( 20 A  60)         HD2 
     ASP( 20 A  63)         HD2 
     GLU( 20 A  69)         HE2 
     HIS( 20 A  85)         HE2 
     GLU( 20 A  89)         HE2 
     HIS( 20 A  90)         HE2 
     GLU( 20 A 104)         HE2 
     HIS( 20 A 106)         HE2 
     GLU( 20 A 110)         HE2 
     ASP( 20 A 111)         HD2 
     GLU( 20 A 119)         HE2 
     HIS( 20 A 120)         HE2 
     HIS( 20 A 121)         HD1 
     HIS( 20 A 122)         HE2 
     HIS( 20 A 123)         HE2 
     HIS( 20 A 124)         HD1 
     HIS( 20 A 125)         HD1 
==> The following residues have extra atoms:                         
    
     RES MOD#C SEQ          ATOMS
    
     HIS(  1 A 125)          O2 
     HIS(  2 A 125)          O2 
     HIS(  3 A 125)          O2 
     HIS(  4 A 125)          O2 
     HIS(  5 A 125)          O2 
     HIS(  6 A 125)          O2 
     HIS(  7 A 125)          O2 
     HIS(  8 A 125)          O2 
     HIS(  9 A 125)          O2 
     HIS( 10 A 125)          O2 
     HIS( 11 A 125)          O2 
     HIS( 12 A 125)          O2 
     HIS( 13 A 125)          O2 
     HIS( 14 A 125)          O2 
     HIS( 15 A 125)          O2 
     HIS( 16 A 125)          O2 
     HIS( 17 A 125)          O2 
     HIS( 18 A 125)          O2 
     HIS( 19 A 125)          O2 
     HIS( 20 A 125)          O2 


PSR293_R3Cons_em_bcr3.pdb: Missing KEYWDS records

PSR293_R3Cons_em_bcr3.pdb: Missing TITLE record