Detailed results of HR3646E_R3Cons_em_bcr3 by PSVS

Output from PDBStat

Constraints analysis

table of NOE constraints


# -------------- SUMMARY OF RESTRAINTS  --------------- 
# TOTAL NUMBER OF NOE RESTRAINTS            :  1571
#      INTRA-RESIDUE RESTRAINTS   (I=J)     :   333
#      SEQUENTIAL    RESTRAINTS   (I-J)=1   :   481
#          BACKBONE-BACKBONE                :       106
#          BACKBONE-SIDE CHAIN              :        29
#          SIDE CHAIN-SIDE CHAIN            :       346
#      MEDIUM RANGE  RESTRAINTS  1<(I-J)<5  :   425
#          BACKBONE-BACKBONE                :       104
#          BACKBONE-SIDE CHAIN              :       110
#          SIDE CHAIN-SIDE CHAIN            :       211
#      LONG  RANGE   RESTRAINTS   (I-J)>=5  :   332
# TOTAL HYDROGEN BOND RESTRAINTS            :     0
#      LONG RANGE H-BOND RESTR.   (I-J)>=5  :     0
# DISULFIDE RESTRAINTS                      :     0
# INTRA-CHAIN RESTRAINTS                    :  1571
# INTER-CHAIN RESTRAINTS                    :     0
# AMBIGUOUS RESTRAINTS                      :     0
# ----------------------------------------------------- 
# ----------------------------------------------------- 
# ----------------------------------------------------- 


# RES   #    INTRA  INTER   seq    med    lng   InterChain
 MET     1      0    0.0    0.0    0.0    0.0    0.0
 GLY     2      0    0.0    0.0    0.0    0.0    0.0
 HIS     3      0    0.0    0.0    0.0    0.0    0.0
 HIS     4      0    0.0    0.0    0.0    0.0    0.0
 HIS     5      0    0.0    0.0    0.0    0.0    0.0
 HIS     6      0    0.0    0.0    0.0    0.0    0.0
 HIS     7      0    0.0    0.0    0.0    0.0    0.0
 HIS     8      0    0.0    0.0    0.0    0.0    0.0
 SER     9      0    0.0    0.0    0.0    0.0    0.0
 HIS    10      0    0.0    0.0    0.0    0.0    0.0
 MET    11      0    0.0    0.0    0.0    0.0    0.0
 ALA    12      0    0.0    0.0    0.0    0.0    0.0
 GLN    13      0    0.0    0.0    0.0    0.0    0.0
 PHE    14      0    0.0    0.0    0.0    0.0    0.0
 PRO    15      0    2.0    2.0    0.0    0.0    0.0
 THR    16      1    5.0    5.0    0.0    0.0    0.0
 PRO    17      0    6.0    6.0    0.0    0.0    0.0
 PHE    18      3    3.0    3.0    0.0    0.0    0.0
 GLY    19      0    0.5    0.5    0.0    0.0    0.0
 GLY    20      0    1.0    1.0    0.0    0.0    0.0
 SER    21      0    2.5    2.5    0.0    0.0    0.0
 LEU    22      6    5.5    5.5    0.0    0.0    0.0
 ASP    23      2    8.5    5.5    3.0    0.0    0.0
 THR    24      1   10.5    6.5    2.0    2.0    0.0
 TRP    25      4   15.0    6.0    0.5    8.5    0.0
 ALA    26      1   12.0    2.5    6.0    3.5    0.0
 ILE    27      4   20.0    4.0   10.5    5.5    0.0
 THR    28      1   14.0    4.0   10.0    0.0    0.0
 VAL    29      1    7.5    3.5    4.0    0.0    0.0
 GLU    30      6    9.5    5.5    4.0    0.0    0.0
 GLU    31      3   27.5    6.0   20.5    1.0    0.0
 ARG    32      0    8.0    4.5    2.5    1.0    0.0
 ALA    33      0   10.5    2.0    8.5    0.0    0.0
 LYS    34     18    9.0    4.5    4.5    0.0    0.0
 HIS    35      0    5.5    5.5    0.0    0.0    0.0
 ASP    36      3    8.0    3.5    4.5    0.0    0.0
 GLN    37      5    7.5    5.0    2.5    0.0    0.0
 GLN    38      9    6.5    4.0    2.5    0.0    0.0
 PHE    39      1   15.5    3.5    4.0    8.0    0.0
 HIS    40      2   10.0    4.5    5.5    0.0    0.0
 SER    41      3    7.0    4.0    3.0    0.0    0.0
 LEU    42      7   21.5    5.0    3.0   13.5    0.0
 LYS    43     12    7.5    5.5    1.5    0.5    0.0
 PRO    44      0   18.5    5.5    6.5    6.5    0.0
 ILE    45      3    8.5    5.5    3.0    0.0    0.0
 SER    46      0    4.5    3.5    1.0    0.0    0.0
 GLY    47      0    3.0    1.5    1.5    0.0    0.0
 PHE    48      5    9.0    3.5    4.5    1.0    0.0
 ILE    49      3   25.5    5.5    4.0   16.0    0.0
 THR    50      1   11.0    4.5    5.5    1.0    0.0
 GLY    51      0    6.0    2.5    2.0    1.5    0.0
 ASP    52      3    5.0    2.0    3.0    0.0    0.0
 GLN    53      9   14.5    4.5    8.5    1.5    0.0
 ALA    54      0   11.5    3.5    4.5    3.5    0.0
 ARG    55      9    7.5    4.0    3.5    0.0    0.0
 ASN    56      2   10.0    5.0    5.0    0.0    0.0
 PHE    57      5   11.0    4.0    2.0    5.0    0.0
 PHE    58      4   14.0    4.5    3.0    6.5    0.0
 PHE    59      5   12.5    4.5    4.0    4.0    0.0
 GLN    60      7    6.0    4.5    0.5    1.0    0.0
 SER    61      2   12.0    4.0    3.0    5.0    0.0
 GLY    62      0    4.5    3.0    0.5    1.0    0.0
 LEU    63      7   31.5    9.0    6.0   16.5    0.0
 PRO    64      0   21.0   10.0   11.0    0.0    0.0
 GLN    65      4   11.0    5.5    5.5    0.0    0.0
 PRO    66      0   14.0   10.0    4.0    0.0    0.0
 VAL    67      2   35.5    8.5   19.5    7.5    0.0
 LEU    68      6   23.0    5.0    8.0   10.0    0.0
 ALA    69      0   12.5    4.0    8.5    0.0    0.0
 GLN    70      5   23.5    5.5   18.0    0.0    0.0
 ILE    71      4   40.0    8.0   14.0   18.0    0.0
 TRP    72      3   22.5    7.0    6.5    9.0    0.0
 ALA    73      1   16.0    5.5    9.0    1.5    0.0
 LEU    74      6   22.5    5.5   10.5    6.5    0.0
 ALA    75      0   17.0    4.0    6.0    7.0    0.0
 ASP    76      3   10.0    2.5    5.0    2.5    0.0
 MET    77      5   15.0    5.5    1.5    8.0    0.0
 ASN    78      2    6.5    4.0    2.0    0.5    0.0
 ASN    79      4    6.0    2.0    2.5    1.5    0.0
 ASP    80      3    6.0    3.0    3.0    0.0    0.0
 GLY    81      0    5.0    2.0    0.5    2.5    0.0
 ARG    82      5    5.5    4.5    0.5    0.5    0.0
 MET    83      9   24.5    8.5    4.5   11.5    0.0
 ASP    84      2   12.5    7.0    4.5    1.0    0.0
 GLN    85     12   13.5    5.5    4.0    4.0    0.0
 VAL    86      1   11.5    5.0    6.5    0.0    0.0
 GLU    87      3   15.5    4.5    7.0    4.0    0.0
 PHE    88      4   11.5    5.0    4.5    2.0    0.0
 SER    89      0    6.5    3.0    3.5    0.0    0.0
 ILE    90      3   25.5    2.5    4.5   18.5    0.0
 ALA    91      0    3.5    2.0    0.5    1.0    0.0
 MET    92      0    1.5    1.0    0.5    0.0    0.0
 LYS    93      0    1.5    1.5    0.0    0.0    0.0
 LEU    94      3   22.0    7.0    4.5   10.5    0.0
 ILE    95      4   28.0   10.5    5.0   12.5    0.0
 LYS    96      8   11.0    8.0    3.0    0.0    0.0
 LEU    97      5   26.0    5.5    7.0   13.5    0.0
 LYS    98     10   29.0    4.5    4.0   20.5    0.0
 LEU    99      5   17.0    5.5    4.5    7.0    0.0
 GLN   100      3   11.5    4.5    7.0    0.0    0.0
 GLY   101      0    3.0    3.0    0.0    0.0    0.0
 TYR   102      4   20.0    4.5    3.5   12.0    0.0
 GLN   103      0    3.5    3.5    0.0    0.0    0.0
 LEU   104      0    0.0    0.0    0.0    0.0    0.0
 PRO   105      0    5.0    2.5    2.0    0.5    0.0
 SER   106      3    6.0    4.5    0.0    1.5    0.0
 ALA   107      0    6.5    3.0    2.0    1.5    0.0
 LEU   108      4    8.0    1.0    3.5    3.5    0.0
 PRO   109      0    0.0    0.0    0.0    0.0    0.0
 PRO   110      0    7.5    3.5    4.0    0.0    0.0
 VAL   111      2   23.0    7.5    8.5    7.0    0.0
 MET   112      9   18.0    7.0    4.0    7.0    0.0
 LYS   113     14   20.0    8.0    7.5    4.5    0.0
 GLN   114      5   14.0    8.5    5.5    0.0    0.0
 GLN   115      4    7.5    7.5    0.0    0.0    0.0
 PRO   116      0    7.0    7.0    0.0    0.0    0.0
 VAL   117      1    5.5    5.5    0.0    0.0    0.0
 ALA   118      0    3.0    3.0    0.0    0.0    0.0
 ILE   119      4    1.5    1.5    0.0    0.0    0.0
 SER   120      0    1.5    1.5    0.0    0.0    0.0
 SER   121      0    0.5    0.5    0.0    0.0    0.0
# TOTAL        333 1238.0  481.0  425.0  332.0    0.0

# TOTAL NUMBER OF RESTRAINTS  (CHECKING): 1571.0

List of conformationally-resticting NOE constraints

 assign ((resid  15 and name HA   ))   ( (resid  16 and name HN   )) assign ((resid  17 and name HA   ))   ( (resid  18 and name HN   )) assign ((resid  19 and name HN   ))   ( (resid  20 and name HN   )) assign ((resid  21 and name HN   ))   ( (resid  22 and name HN   )) assign ((resid  21 and name HA   ))   ( (resid  22 and name HN   )) assign ((resid  21 and name HB2  ))   ( (resid  22 and name HN   )) assign ((resid  21 and name HB1  ))   ( (resid  22 and name HN   )) assign ((resid  22 and name HA   ))   ( (resid  23 and name HN   )) assign ((resid  22 and name HB2  ))   ( (resid  23 and name HN   )) assign ((resid  22 and name HB1  ))   ( (resid  23 and name HN   )) assign ((resid  23 and name HN   ))   ( (resid  24 and name HN   )) assign ((resid  23 and name HA   ))   ( (resid  24 and name HN   )) assign ((resid  23 and name HB2  ))   ( (resid  24 and name HN   )) assign ((resid  23 and name HB1  ))   ( (resid  24 and name HN   )) assign ((resid  24 and name HN   ))   ( (resid  25 and name HN   )) assign ((resid  24 and name HB   ))   ( (resid  25 and name HN   )) assign ((resid  25 and name HN   ))   ( (resid  26 and name HN   )) assign ((resid  25 and name HB2  ))   ( (resid  26 and name HN   )) assign ((resid  25 and name HB1  ))   ( (resid  26 and name HN   )) assign ((resid  26 and name HA   ))   ( (resid  27 and name HN   )) assign ((resid  27 and name HA   ))   ( (resid  28 and name HN   )) assign ((resid  27 and name HB   ))   ( (resid  28 and name HN   )) assign ((resid  28 and name HN   ))   ( (resid  29 and name HN   )) assign ((resid  30 and name HB2  ))   ( (resid  31 and name HN   )) assign ((resid  30 and name HB1  ))   ( (resid  31 and name HN   )) assign ((resid  32 and name HN   ))   ( (resid  33 and name HN   )) assign ((resid  32 and name HB2  ))   ( (resid  33 and name HN   )) assign ((resid  32 and name HB1  ))   ( (resid  33 and name HN   )) assign ((resid  34 and name HB2  ))   ( (resid  35 and name HN   )) assign ((resid  35 and name HB2  ))   ( (resid  36 and name HN   )) assign ((resid  35 and name HB1  ))   ( (resid  36 and name HN   )) assign ((resid  36 and name HN   ))   ( (resid  37 and name HN   )) assign ((resid  36 and name HB2  ))   ( (resid  37 and name HN   )) assign ((resid  39 and name HN   ))   ( (resid  40 and name HN   )) assign ((resid  39 and name HB2  ))   ( (resid  40 and name HN   )) assign ((resid  39 and name HB1  ))   ( (resid  40 and name HN   )) assign ((resid  41 and name HB2  ))   ( (resid  42 and name HN   )) assign ((resid  41 and name HB1  ))   ( (resid  42 and name HN   )) assign ((resid  42 and name HN   ))   ( (resid  43 and name HN   )) assign ((resid  42 and name HB2  ))   ( (resid  43 and name HN   )) assign ((resid  42 and name HB1  ))   ( (resid  43 and name HN   )) assign ((resid  44 and name HA   ))   ( (resid  45 and name HN   )) assign ((resid  44 and name HB2  ))   ( (resid  45 and name HN   )) assign ((resid  44 and name HB1  ))   ( (resid  45 and name HN   )) assign ((resid  46 and name HB2  ))   ( (resid  47 and name HN   )) assign ((resid  47 and name HN   ))   ( (resid  48 and name HN   )) assign ((resid  48 and name HA   ))   ( (resid  49 and name HN   )) assign ((resid  48 and name HB2  ))   ( (resid  49 and name HN   )) assign ((resid  48 and name HB1  ))   ( (resid  49 and name HN   )) assign ((resid  49 and name HA   ))   ( (resid  50 and name HN   )) assign ((resid  49 and name HB   ))   ( (resid  50 and name HN   )) assign ((resid  50 and name HA   ))   ( (resid  51 and name HN   )) assign ((resid  50 and name HB   ))   ( (resid  51 and name HN   )) assign ((resid  52 and name HN   ))   ( (resid  53 and name HN   )) assign ((resid  53 and name HN   ))   ( (resid  54 and name HN   )) assign ((resid  53 and name HB1  ))   ( (resid  54 and name HN   )) assign ((resid  55 and name HN   ))   ( (resid  56 and name HN   )) assign ((resid  55 and name HB2  ))   ( (resid  56 and name HN   )) assign ((resid  55 and name HB1  ))   ( (resid  56 and name HN   )) assign ((resid  56 and name HB1  ))   ( (resid  57 and name HN   )) assign ((resid  57 and name HN   ))   ( (resid  58 and name HN   )) assign ((resid  57 and name HB2  ))   ( (resid  58 and name HN   )) assign ((resid  57 and name HB1  ))   ( (resid  58 and name HN   )) assign ((resid  58 and name HN   ))   ( (resid  59 and name HN   )) assign ((resid  58 and name HB2  ))   ( (resid  59 and name HN   )) assign ((resid  59 and name HB2  ))   ( (resid  60 and name HN   )) assign ((resid  59 and name HB1  ))   ( (resid  60 and name HN   )) assign ((resid  60 and name HN   ))   ( (resid  61 and name HN   )) assign ((resid  60 and name HB2  ))   ( (resid  61 and name HN   )) assign ((resid  60 and name HB1  ))   ( (resid  61 and name HN   )) assign ((resid  61 and name HN   ))   ( (resid  62 and name HN   )) assign ((resid  61 and name HB2  ))   ( (resid  62 and name HN   )) assign ((resid  61 and name HB1  ))   ( (resid  62 and name HN   )) assign ((resid  64 and name HA   ))   ( (resid  65 and name HN   )) assign ((resid  64 and name HB1  ))   ( (resid  65 and name HN   )) assign ((resid  66 and name HB2  ))   ( (resid  67 and name HN   )) assign ((resid  66 and name HB1  ))   ( (resid  67 and name HN   )) assign ((resid  67 and name HB   ))   ( (resid  68 and name HN   )) assign ((resid  68 and name HN   ))   ( (resid  69 and name HN   )) assign ((resid  68 and name HB2  ))   ( (resid  69 and name HN   )) assign ((resid  68 and name HB1  ))   ( (resid  69 and name HN   )) assign ((resid  70 and name HB1  ))   ( (resid  71 and name HN   )) assign ((resid  71 and name HN   ))   ( (resid  72 and name HN   )) assign ((resid  71 and name HB   ))   ( (resid  72 and name HN   )) assign ((resid  72 and name HN   ))   ( (resid  73 and name HN   )) assign ((resid  72 and name HB1  ))   ( (resid  73 and name HN   )) assign ((resid  74 and name HN   ))   ( (resid  75 and name HN   )) assign ((resid  74 and name HB2  ))   ( (resid  75 and name HN   )) assign ((resid  74 and name HB1  ))   ( (resid  75 and name HN   )) assign ((resid  75 and name HN   ))   ( (resid  76 and name HN   )) assign ((resid  76 and name HA   ))   ( (resid  77 and name HN   )) assign ((resid  76 and name HB2  ))   ( (resid  77 and name HN   )) assign ((resid  76 and name HB1  ))   ( (resid  77 and name HN   )) assign ((resid  77 and name HB2  ))   ( (resid  78 and name HN   )) assign ((resid  77 and name HB1  ))   ( (resid  78 and name HN   )) assign ((resid  78 and name HN   ))   ( (resid  79 and name HN   )) assign ((resid  79 and name HA   ))   ( (resid  80 and name HN   )) assign ((resid  79 and name HB2  ))   ( (resid  80 and name HN   )) assign ((resid  79 and name HB1  ))   ( (resid  80 and name HN   )) assign ((resid  80 and name HB2  ))   ( (resid  81 and name HN   )) assign ((resid  80 and name HB1  ))   ( (resid  81 and name HN   )) assign ((resid  81 and name HN   ))   ( (resid  82 and name HN   )) assign ((resid  82 and name HA   ))   ( (resid  83 and name HN   )) assign ((resid  82 and name HB2  ))   ( (resid  83 and name HN   )) assign ((resid  82 and name HB1  ))   ( (resid  83 and name HN   )) assign ((resid  83 and name HN   ))   ( (resid  84 and name HN   )) assign ((resid  83 and name HA   ))   ( (resid  84 and name HN   )) assign ((resid  83 and name HB2  ))   ( (resid  84 and name HN   )) assign ((resid  83 and name HB1  ))   ( (resid  84 and name HN   )) assign ((resid  84 and name HA   ))   ( (resid  85 and name HN   )) assign ((resid  84 and name HB2  ))   ( (resid  85 and name HN   )) assign ((resid  84 and name HB1  ))   ( (resid  85 and name HN   )) assign ((resid  85 and name HB1  ))   ( (resid  86 and name HN   )) assign ((resid  87 and name HN   ))   ( (resid  88 and name HN   )) assign ((resid  88 and name HN   ))   ( (resid  89 and name HN   )) assign ((resid  88 and name HA   ))   ( (resid  89 and name HN   )) assign ((resid  88 and name HB2  ))   ( (resid  89 and name HN   )) assign ((resid  88 and name HB1  ))   ( (resid  89 and name HN   )) assign ((resid  94 and name HA   ))   ( (resid  95 and name HN   )) assign ((resid  94 and name HB2  ))   ( (resid  95 and name HN   )) assign ((resid  94 and name HB1  ))   ( (resid  95 and name HN   )) assign ((resid  95 and name HB   ))   ( (resid  96 and name HN   )) assign ((resid  96 and name HN   ))   ( (resid  97 and name HN   )) assign ((resid  97 and name HN   ))   ( (resid  98 and name HN   )) assign ((resid  98 and name HB2  ))   ( (resid  99 and name HN   )) assign ((resid  98 and name HB1  ))   ( (resid  99 and name HN   )) assign ((resid  99 and name HB2  ))   ( (resid 100 and name HN   )) assign ((resid  99 and name HB1  ))   ( (resid 100 and name HN   )) assign ((resid 100 and name HB2  ))   ( (resid 101 and name HN   )) assign ((resid 100 and name HB1  ))   ( (resid 101 and name HN   )) assign ((resid 101 and name HN   ))   ( (resid 102 and name HN   )) assign ((resid 102 and name HA   ))   ( (resid 103 and name HN   )) assign ((resid 102 and name HB2  ))   ( (resid 103 and name HN   )) assign ((resid 102 and name HB1  ))   ( (resid 103 and name HN   )) assign ((resid 105 and name HA   ))   ( (resid 106 and name HN   )) assign ((resid 105 and name HB2  ))   ( (resid 106 and name HN   )) assign ((resid 106 and name HN   ))   ( (resid 107 and name HN   )) assign ((resid 106 and name HB2  ))   ( (resid 107 and name HN   )) assign ((resid 106 and name HB1  ))   ( (resid 107 and name HN   )) assign ((resid 107 and name HA   ))   ( (resid 108 and name HN   )) assign ((resid 110 and name HB1  ))   ( (resid 111 and name HN   )) assign ((resid 111 and name HN   ))   ( (resid 112 and name HN   )) assign ((resid 111 and name HB   ))   ( (resid 112 and name HN   )) assign ((resid 113 and name HB2  ))   ( (resid 114 and name HN   )) assign ((resid 113 and name HB1  ))   ( (resid 114 and name HN   )) assign ((resid 114 and name HN   ))   ( (resid 115 and name HN   )) assign ((resid 114 and name HA   ))   ( (resid 115 and name HN   )) assign ((resid 114 and name HB2  ))   ( (resid 115 and name HN   )) assign ((resid 114 and name HB1  ))   ( (resid 115 and name HN   )) assign ((resid 116 and name HA   ))   ( (resid 117 and name HN   )) assign ((resid 116 and name HB1  ))   ( (resid 117 and name HN   )) assign ((resid 117 and name HA   ))   ( (resid 118 and name HN   )) assign ((resid 117 and name HB   ))   ( (resid 118 and name HN   )) assign ((resid 118 and name HN   ))   ( (resid 119 and name HN   )) assign ((resid  16 and name HN   ))   ( (resid  16 and name HB   )) assign ((resid  22 and name HN   ))   ( (resid  22 and name HB2  )) assign ((resid  22 and name HN   ))   ( (resid  22 and name HB1  )) assign ((resid  23 and name HN   ))   ( (resid  23 and name HB2  )) assign ((resid  24 and name HN   ))   ( (resid  24 and name HB   )) assign ((resid  25 and name HN   ))   ( (resid  25 and name HB2  )) assign ((resid  25 and name HN   ))   ( (resid  25 and name HB1  )) assign ((resid  27 and name HN   ))   ( (resid  27 and name HB   )) assign ((resid  29 and name HN   ))   ( (resid  29 and name HB   )) assign ((resid  30 and name HN   ))   ( (resid  30 and name HB1  )) assign ((resid  34 and name HN   ))   ( (resid  34 and name HB1  )) assign ((resid  36 and name HN   ))   ( (resid  36 and name HB2  )) assign ((resid  36 and name HN   ))   ( (resid  36 and name HB1  )) assign ((resid  38 and name HN   ))   ( (resid  38 and name HB2  )) assign ((resid  38 and name HN   ))   ( (resid  38 and name HB1  )) assign ((resid  41 and name HN   ))   ( (resid  41 and name HB2  )) assign ((resid  41 and name HN   ))   ( (resid  41 and name HB1  )) assign ((resid  42 and name HN   ))   ( (resid  42 and name HB2  )) assign ((resid  42 and name HN   ))   ( (resid  42 and name HB1  )) assign ((resid  43 and name HN   ))   ( (resid  43 and name HA   )) assign ((resid  45 and name HN   ))   ( (resid  45 and name HB   )) assign ((resid  48 and name HN   ))   ( (resid  48 and name HB2  )) assign ((resid  48 and name HN   ))   ( (resid  48 and name HB1  )) assign ((resid  52 and name HN   ))   ( (resid  52 and name HB2  )) assign ((resid  52 and name HN   ))   ( (resid  52 and name HB1  )) assign ((resid  55 and name HN   ))   ( (resid  55 and name HB2  )) assign ((resid  55 and name HN   ))   ( (resid  55 and name HB1  )) assign ((resid  56 and name HN   ))   ( (resid  56 and name HB2  )) assign ((resid  57 and name HN   ))   ( (resid  57 and name HB2  )) assign ((resid  57 and name HN   ))   ( (resid  57 and name HB1  )) assign ((resid  58 and name HN   ))   ( (resid  58 and name HB2  )) assign ((resid  58 and name HN   ))   ( (resid  58 and name HB1  )) assign ((resid  60 and name HN   ))   ( (resid  60 and name HB1  )) assign ((resid  61 and name HN   ))   ( (resid  61 and name HB2  )) assign ((resid  61 and name HN   ))   ( (resid  61 and name HB1  )) assign ((resid  63 and name HN   ))   ( (resid  63 and name HB1  )) assign ((resid  65 and name HN   ))   ( (resid  65 and name HB2  )) assign 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(resid  66 and name HD2  )) assign ((resid  65 and name HB2  ))   ( (resid  66 and name HD1  )) assign ((resid  64 and name HB2  ))   ( (resid  66 and name HD2  )) assign ((resid  67 and name HA   ))   ( (resid  70 and name HG1  )) assign ((resid  68 and name HB1  ))   ( (resid  71 and name HB   )) assign ((resid  72 and name HZ2  ))   ( (resid  81 and name HA1  )) assign ((resid  72 and name HZ2  ))   ( (resid  81 and name HA2  )) assign ((resid  83 and name HB2  ))   ( (resid  87 and name HB2  )) assign ((resid  71 and name HG12 ))   ( (resid  94 and name HB2  )) assign ((resid  71 and name HG12 ))   ( (resid  94 and name HB1  )) assign ((resid  94 and name HG   ))   ( (resid  95 and name HA   )) assign ((resid  95 and name HA   ))   ( (resid  99 and name HG   )) assign ((resid  71 and name HG12 ))   ( (resid  95 and name HA   )) assign ((resid  97 and name HB2  ))   ( (resid 102 and name HB1  )) assign ((resid  97 and name HB1  ))   ( (resid 102 and name HB2  )) assign ((resid  97 and name HB1  ))   ( (resid 102 and name HB1  )) assign ((resid  97 and name HB2  ))   ( (resid 102 and name HD*  )) assign ((resid 100 and name HB2  ))   ( (resid 102 and name HE*  )) assign ((resid  97 and name HA   ))   ( (resid 102 and name HE*  )) assign ((resid  97 and name HA   ))   ( (resid 102 and name HD*  )) assign ((resid 110 and name HA   ))   ( (resid 113 and name HE2  )) assign ((resid 111 and name HA   ))   ( (resid 114 and name HG1  )) assign ((resid 110 and name HA   ))   ( (resid 113 and name HG2  )) assign ((resid 110 and name HA   ))   ( (resid 113 and name HD2  )) assign ((resid 111 and name HA   ))   ( (resid 114 and name HG2  )) assign ((resid 115 and name HB1  ))   ( (resid 116 and name HD2  )) assign ((resid 115 and name HB1  ))   ( (resid 116 and name HD1  )) assign ((resid  34 and name HE1  ))   ( (resid  38 and name HE22 )) assign ((resid  43 and name HN   ))   ( (resid  44 and name HG1  )) assign ((resid 113 and name HN   ))   ( (resid 114 and name HG1  )) assign ((resid  27 and name HG11 ))   ( (resid  31 and name HB1  )) assign ((resid  39 and name HE1  ))   ( (resid  44 and name HG1  )) assign ((resid  39 and name HE1  ))   ( (resid  49 and name HG11 )) assign ((resid  63 and name HA   ))   ( (resid  64 and name HG1  )) assign ((resid  65 and name HB1  ))   ( (resid  66 and name HD2  )) assign ((resid  65 and name HB1  ))   ( (resid  66 and name HD1  )) assign ((resid  67 and name HA   ))   ( (resid  98 and name HD2  )) assign ((resid  67 and name HA   ))   ( (resid  98 and name HD1  )) assign ((resid  67 and name HA   ))   ( (resid  70 and name HG2  )) assign ((resid  71 and name HG12 ))   ( (resid  98 and name HB1  )) assign ((resid  71 and name HG11 ))   ( (resid  98 and name HB1  )) assign ((resid  83 and name HB2  ))   ( (resid  87 and name HB1  )) assign ((resid  71 and name HG11 ))   ( (resid  94 and name HB2  )) assign ((resid  71 and name HG11 ))   ( (resid  94 and name HB1  )) assign ((resid  71 and name HG11 ))   ( (resid  95 and name HA   )) assign ((resid  96 and name HA   ))   ( (resid  99 and name HG   )) assign ((resid 100 and name HB1  ))   ( (resid 102 and name HE*  )) assign ((resid 110 and name HA   ))   ( (resid 113 and name HE1  )) assign ((resid 110 and name HA   ))   ( (resid 113 and name HG1  )) assign ((resid 110 and name HA   ))   ( (resid 113 and name HD1  )) assign ((resid 115 and name HG1  ))   ( (resid 116 and name HD1  )) assign ((resid 115 and name HG1  ))   ( (resid 116 and name HD2  )) assign ((resid 115 and name HG2  ))   ( (resid 116 and name HD1  )) assign ((resid 115 and name HG2  ))   ( (resid 116 and name HD2  )) assign ((resid  27 and name HG12 ))   ( (resid  31 and name HB1  )) assign ((resid  27 and name HG12 ))   ( (resid  31 and name HG1  )) assign ((resid  28 and name HB   ))   ( (resid  31 and name HB1  )) assign ((resid  28 and name HB   ))   ( (resid  31 and name HB2  )) assign ((resid  28 and name HB   ))   ( (resid  31 and name HG2  )) assign ((resid  28 and name HB   ))   ( (resid  31 and name HG1  )) assign ((resid  27 and name HG11 ))   ( (resid  31 and name HG2  )) assign ((resid  41 and name HA   ))   ( (resid  44 and name HD2  )) assign ((resid  41 and name HA   ))   ( (resid  44 and name HD1  )) assign ((resid  74 and name HG   ))   ( (resid 105 and name HA   )) assign ((resid  75 and name HA   ))   ( (resid 108 and name HG   )) assign ((resid  63 and name HG   ))   ( (resid  99 and name HB2  )) assign ((resid  63 and name HG   ))   ( (resid  99 and name HA   )) assign ((resid  97 and name HB1  ))   ( (resid 102 and name HD*  )) assign ((resid  77 and name HN   ))   ( (resid  87 and name HG1  )) assign ((resid  39 and name HZ   ))   ( (resid  85 and name HN   )) assign ((resid  22 and name HA   ))   ( (resid  22 and name HD1* )) assign ((resid  22 and name HA   ))   ( (resid  22 and name HD2* )) assign ((resid  42 and name HA   ))   ( (resid  42 and name HD1* )) assign ((resid  42 and name HN   ))   ( (resid  42 and name HD2* )) assign ((resid  42 and name HA   ))   ( (resid  42 and name HD2* )) assign ((resid  63 and name HN   ))   ( (resid  63 and name HD1* )) assign ((resid  63 and name HA   ))   ( (resid  63 and name HD2* )) assign ((resid  68 and name HA   ))   ( (resid  68 and name HD1* )) assign ((resid  68 and name HA   ))   ( (resid  68 and name HD2* )) assign ((resid  74 and name HA   ))   ( (resid  74 and name HD1* )) assign ((resid  74 and name HA   ))   ( (resid  74 and name HD2* )) assign ((resid  94 and name HA   ))   ( (resid  94 and name HD1* )) assign ((resid  94 and name HA   ))   ( (resid  94 and name HD2* )) assign ((resid  97 and name HA   ))   ( (resid  97 and name HD1* )) assign ((resid  97 and name HA   ))   ( (resid  97 and name HD2* )) assign ((resid  99 and name HA   ))   ( (resid  99 and name HD1* )) assign ((resid  99 and name HA   ))   ( (resid  99 and name HD2* )) assign ((resid 108 and name HA   ))   ( (resid 108 and name HD1* )) assign ((resid  22 and name HD1* ))   ( (resid  23 and name HN   )) assign ((resid  22 and name HD2* ))   ( (resid  23 and name HN   )) assign ((resid  24 and name HG2* ))   ( (resid  25 and name HN   )) assign ((resid  27 and name HG2* ))   ( (resid  28 and name HN   )) assign ((resid  42 and name HD1* ))   ( (resid  43 and name HN   )) assign ((resid  42 and name HD2* ))   ( (resid  43 and name HN   )) assign ((resid  49 and name HG2* ))   ( (resid  50 and name HN   )) assign ((resid  49 and name HD1* ))   ( (resid  50 and name HN   )) assign ((resid  68 and name HD1* ))   ( (resid  69 and name HN   )) assign ((resid  71 and name HG2* ))   ( (resid  72 and name HN   )) assign ((resid  71 and name HD1* ))   ( (resid  72 and name HN   )) assign ((resid  86 and name HG1* ))   ( (resid  87 and name HN   )) assign ((resid  86 and name HG2* ))   ( (resid  87 and name HN   )) assign ((resid  90 and name HG2* ))   ( (resid  91 and name HN   )) assign ((resid  90 and name HD1* ))   ( (resid  91 and name HN   )) assign ((resid  94 and name HD1* )) 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43 and name HN   ))   ( (resid  49 and name HG2* )) assign ((resid  63 and name HD1* ))   ( (resid  99 and name HN   )) assign ((resid  63 and name HD2* ))   ( (resid  98 and name HN   )) assign ((resid  59 and name HD1  ))   ( (resid  68 and name HD2* )) assign ((resid  71 and name HG2* ))   ( (resid  95 and name HN   )) assign ((resid  71 and name HG2* ))   ( (resid  75 and name HN   )) assign ((resid  71 and name HD1* ))   ( (resid  95 and name HN   )) assign ((resid  71 and name HD1* ))   ( (resid  98 and name HN   )) assign ((resid  73 and name HB*  ))   ( (resid  75 and name HN   )) assign ((resid  75 and name HB*  ))   ( (resid  91 and name HN   )) assign ((resid  77 and name HE*  ))   ( (resid  87 and name HN   )) assign ((resid  72 and name HZ2  ))   ( (resid  83 and name HE*  )) assign ((resid  72 and name HD1  ))   ( (resid  83 and name HE*  )) assign ((resid  73 and name HN   ))   ( (resid  83 and name HE*  )) assign ((resid  83 and name HE*  ))   ( (resid  91 and name HN   )) assign ((resid  72 and name HN   ))   ( (resid  83 and name HE*  )) assign ((resid  58 and name HD1  ))   ( (resid  95 and name HG2* )) assign ((resid  95 and name HG2* ))   ( (resid  98 and name HN   )) assign ((resid  58 and name HD1  ))   ( (resid  95 and name HD1* )) assign ((resid  63 and name HN   ))   ( (resid  99 and name HD1* )) assign ((resid  63 and name HN   ))   ( (resid  99 and name HD2* )) assign ((resid 108 and name HD1* ))   ( (resid 112 and name HN   )) assign ((resid  27 and name HN   ))   ( (resid 111 and name HG1* )) assign ((resid 111 and name HG1* ))   ( (resid 113 and name HN   )) assign ((resid  27 and name HN   ))   ( (resid 111 and name HG2* )) assign ((resid  16 and name HG2* ))   ( (resid  17 and name HD1  )) assign ((resid  16 and name HG2* ))   ( (resid  17 and name HD2  )) assign ((resid  23 and name HB1  ))   ( (resid  26 and name HB*  )) assign ((resid  24 and name HG2* ))   ( (resid  97 and name HD1* )) assign ((resid  24 and name HG2* ))   ( (resid  25 and name HA   )) assign ((resid  25 and name HD1  ))   ( (resid 111 and name HG2* )) assign ((resid  24 and name HG2* ))   ( (resid  25 and name HD1  )) assign ((resid  25 and name HZ3  ))   ( (resid  97 and name HD2* )) assign ((resid  25 and name HZ2  ))   ( (resid  97 and name HD1* )) assign ((resid  25 and name HH2  ))   ( (resid  94 and name HD1* )) assign ((resid  25 and name HH2  ))   ( (resid  97 and name HD1* )) assign ((resid  26 and name HA   ))   ( (resid 111 and name HG1* )) assign ((resid  26 and name HA   ))   ( (resid 111 and name HG2* )) assign ((resid  23 and name HA   ))   ( (resid  26 and name HB*  )) assign ((resid  23 and name HB2  ))   ( (resid  26 and name HB*  )) assign ((resid  26 and name HB*  ))   ( (resid 111 and name HB   )) assign ((resid  27 and name HG2* ))   ( (resid  31 and name HB2  )) assign ((resid  27 and name HG2* ))   ( (resid  31 and name HG2  )) assign ((resid  27 and name HG2* ))   ( (resid  31 and name HG1  )) assign ((resid  27 and name HG2* ))   ( (resid  29 and name HA   )) assign ((resid  27 and name HG2* ))   ( (resid  32 and name HB2  )) assign ((resid  30 and name HA   ))   ( (resid  33 and name HB*  )) assign ((resid  30 and name HG2  ))   ( (resid  33 and name HB*  )) assign ((resid  39 and name HA   ))   ( (resid  42 and name HD2* )) assign ((resid  39 and name HE1  ))   ( (resid  42 and name HD1* )) assign ((resid  39 and name HE1  ))   ( (resid  49 and name HG2* )) assign ((resid  39 and name HZ   ))   ( (resid  49 and name HG2* )) assign ((resid  42 and name HD1* ))   ( (resid  57 and name HA   )) assign ((resid  42 and name HD1* ))   ( (resid  57 and name HB2  )) assign ((resid  42 and name HD1* ))   ( (resid  57 and name HB1  )) assign ((resid  42 and name HD2* ))   ( (resid  54 and name HB*  )) assign ((resid  42 and name HB2  ))   ( (resid  49 and name HG2* )) assign ((resid  42 and name HB1  ))   ( (resid  49 and name HG2* )) assign ((resid  44 and name HB2  ))   ( (resid  49 and name HG2* )) assign ((resid  44 and name HB1  ))   ( (resid  49 and name HG2* )) assign ((resid  44 and name HG2  ))   ( (resid  49 and name HG2* )) assign ((resid  45 and name HG2* ))   ( (resid  46 and name HA   )) assign ((resid  45 and name HG2* ))   ( (resid  46 and name HB2  )) assign ((resid  45 and name HG2* ))   ( (resid  46 and name HB1  )) assign ((resid  42 and name HD1* ))   ( (resid  49 and name HB   )) assign ((resid  42 and name HD1* ))   ( (resid  49 and name HG2* )) assign ((resid  44 and name HG1  ))   ( (resid  49 and name HG2* )) assign ((resid  44 and name HA   ))   ( (resid  49 and name HG2* )) assign ((resid  42 and name HD1* ))   ( (resid  49 and name HG12 )) assign ((resid  42 and name HD1* ))   ( (resid  49 and name HG11 )) assign ((resid  50 and name HG2* ))   ( (resid  52 and name HB2  )) assign ((resid  42 and name HD1* ))   ( (resid  53 and name HB1  )) assign ((resid  42 and name HD1* ))   ( (resid  53 and name HB2  )) assign ((resid  42 and name HD1* ))   ( (resid  54 and name HA   )) assign ((resid  42 and name HD2* ))   ( (resid  54 and name HA   )) assign ((resid  42 and name HD1* ))   ( (resid  54 and name HB*  )) assign ((resid  42 and name HD2* ))   ( (resid  57 and name HB2  )) assign ((resid  42 and name HD2* ))   ( (resid  57 and name HB1  )) assign ((resid  42 and name HD1* ))   ( (resid  57 and name HE1  )) assign ((resid  58 and name HB1  ))   ( (resid  95 and name HD1* )) assign ((resid  54 and name HB*  ))   ( (resid  58 and name HD1  )) assign ((resid  59 and name HA   ))   ( (resid  68 and name HD1* )) assign ((resid  59 and name HD1  ))   ( (resid  68 and name HD1* )) assign ((resid  64 and name HD2  ))   ( (resid  67 and name HG2* )) assign ((resid  64 and name HD2  ))   ( (resid  67 and name HG1* )) assign ((resid  64 and name HD1  ))   ( (resid  67 and name HG1* )) assign ((resid  64 and name HB1  ))   ( (resid  67 and name HG2* )) assign ((resid  64 and name HB2  ))   ( (resid  67 and name HG2* )) assign ((resid  70 and name 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name HB2  )) assign ((resid  71 and name HG2* ))   ( (resid  83 and name HE*  )) assign ((resid  71 and name HG2* ))   ( (resid  94 and name HB1  )) assign ((resid  71 and name HD1* ))   ( (resid  95 and name HA   )) assign ((resid  67 and name HG1* ))   ( (resid  71 and name HD1* )) assign ((resid  63 and name HD1* ))   ( (resid  71 and name HD1* )) assign ((resid  72 and name HA   ))   ( (resid  83 and name HE*  )) assign ((resid  72 and name HA   ))   ( (resid  75 and name HB*  )) assign ((resid  71 and name HG2* ))   ( (resid  72 and name HA   )) assign ((resid  54 and name HB*  ))   ( (resid  72 and name HZ3  )) assign ((resid  72 and name HZ3  ))   ( (resid  73 and name HB*  )) assign ((resid  70 and name HA   ))   ( (resid  73 and name HB*  )) assign ((resid  72 and name HB1  ))   ( (resid  73 and name HB*  )) assign ((resid  70 and name HG1  ))   ( (resid  73 and name HB*  )) assign ((resid  73 and name HB*  ))   ( (resid  74 and name HD2* )) assign ((resid  74 and name HD2* )) 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(resid  95 and name HD1* )) assign ((resid  95 and name HG2* ))   ( (resid  96 and name HA   )) assign ((resid  97 and name HD1* ))   ( (resid 100 and name HB2  )) assign ((resid  63 and name HD1* ))   ( (resid  98 and name HB1  )) assign ((resid  71 and name HD1* ))   ( (resid  98 and name HB1  )) assign ((resid  63 and name HD2* ))   ( (resid  98 and name HG2  )) assign ((resid  67 and name HG1* ))   ( (resid  98 and name HG2  )) assign ((resid  61 and name HB1  ))   ( (resid  99 and name HD1* )) assign ((resid  61 and name HB1  ))   ( (resid  99 and name HD2* )) assign ((resid  67 and name HG2* ))   ( (resid  98 and name HE2  )) assign ((resid  67 and name HG1* ))   ( (resid  98 and name HE2  )) assign ((resid  63 and name HD2* ))   ( (resid  98 and name HE2  )) assign ((resid  67 and name HG1* ))   ( (resid  98 and name HE1  )) assign ((resid  63 and name HD2* ))   ( (resid  98 and name HE1  )) assign ((resid  97 and name HD1* ))   ( (resid 102 and name HD*  )) assign ((resid  24 and name HG2* ))   ( (resid 102 and name HE*  )) assign ((resid  97 and name HD1* ))   ( (resid 102 and name HE*  )) assign ((resid  74 and name HD2* ))   ( (resid 108 and name HB2  )) assign ((resid  25 and name HB1  ))   ( (resid 111 and name HG1* )) assign ((resid  26 and name HB*  ))   ( (resid 111 and name HG2* )) assign ((resid  26 and name HB*  ))   ( (resid 111 and name HG1* )) assign ((resid  25 and name HB1  ))   ( (resid 111 and name HG2* )) assign ((resid  25 and name HB2  ))   ( (resid 111 and name HG2* )) assign ((resid 111 and name HG2* ))   ( (resid 112 and name HA   )) assign ((resid  90 and name HD1* ))   ( (resid 112 and name HB2  )) assign ((resid  90 and name HD1* ))   ( (resid 112 and name HG2  )) assign ((resid  90 and name HD1* ))   ( (resid 112 and name HG1  )) assign ((resid  90 and name HD1* ))   ( (resid 113 and name HG2  )) assign ((resid  90 and name HD1* ))   ( (resid 113 and name HD2  )) assign ((resid 111 and name HG1* ))   ( (resid 114 and name HG2  )) assign ((resid  24 and name HG2* ))   ( (resid 102 and name HD*  )) assign ((resid  42 and name HN   ))   ( (resid  49 and name HG2* )) assign ((resid  63 and name HD2* ))   ( (resid  99 and name HN   )) assign ((resid  63 and name HN   ))   ( (resid  68 and name HD2* )) assign ((resid  83 and name HE*  ))   ( (resid  88 and name HN   )) assign ((resid  95 and name HG2* ))   ( (resid  99 and name HN   )) assign ((resid  97 and name HD2* ))   ( (resid 102 and name HD*  )) assign ((resid  97 and name HD2* ))   ( (resid 102 and name HE*  )) assign ((resid 111 and name HG2* ))   ( (resid 113 and name HN   )) assign ((resid 111 and name HG2* ))   ( (resid 114 and name HN   )) assign ((resid  24 and name HG2* ))   ( (resid  97 and name HD2* )) assign ((resid  25 and name HZ2  ))   ( (resid  97 and name HD2* )) assign ((resid  25 and name HH2  ))   ( (resid  94 and name HD2* )) assign ((resid  25 and name HH2  ))   ( (resid  97 and name HD2* )) assign ((resid  27 and name HG2* ))   ( (resid  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HA   ))   ( (resid  68 and name HD2* )) assign ((resid  71 and name HD1* ))   ( (resid  98 and name HB2  )) assign ((resid  68 and name HB1  ))   ( (resid  71 and name HD1* )) assign ((resid  68 and name HG   ))   ( (resid  71 and name HD1* )) assign ((resid  71 and name HD1* ))   ( (resid  98 and name HD2  )) assign ((resid  71 and name HD1* ))   ( (resid  98 and name HD1  )) assign ((resid  73 and name HB*  ))   ( (resid  74 and name HD1* )) assign ((resid  77 and name HG2  ))   ( (resid  90 and name HD1* )) assign ((resid  77 and name HE*  ))   ( (resid  87 and name HG1  )) assign ((resid  77 and name HE*  ))   ( (resid  90 and name HD1* )) assign ((resid  84 and name HB2  ))   ( (resid  86 and name HG2* )) assign ((resid  90 and name HD1* ))   ( (resid 112 and name HB1  )) assign ((resid  71 and name HA   ))   ( (resid  94 and name HD2* )) assign ((resid  95 and name HG2* ))   ( (resid  99 and name HB2  )) assign ((resid  97 and name HD1* ))   ( (resid 100 and name HB1  )) assign ((resid  63 and name HD2* ))   ( (resid  98 and name HG1  )) assign ((resid  67 and name HG1* ))   ( (resid  98 and name HG1  )) assign ((resid  67 and name HG1* ))   ( (resid  98 and name HD1  )) assign ((resid  63 and name HD2* ))   ( (resid  98 and name HD2  )) assign ((resid  63 and name HD2* ))   ( (resid  98 and name HD1  )) assign ((resid 108 and name HD2* ))   ( (resid 112 and name HB2  )) assign ((resid 108 and name HD2* ))   ( (resid 112 and name HB1  )) assign ((resid 108 and name HD2* ))   ( (resid 112 and name HG2  )) assign ((resid 111 and name HG2* ))   ( (resid 112 and name HG2  )) assign ((resid 108 and name HD2* ))   ( (resid 112 and name HG1  )) assign ((resid 111 and name HG2* ))   ( (resid 112 and name HG1  )) assign ((resid  90 and name HD1* ))   ( (resid 113 and name HG1  )) assign ((resid  90 and name HD1* ))   ( (resid 113 and name HD1  )) assign ((resid 111 and name HG1* ))   ( (resid 114 and name HG1  )) assign ((resid  33 and name HB*  ))   ( (resid  36 and name HB1  )) assign ((resid  33 and name HB*  ))   ( (resid  36 and name HB2  )) assign ((resid  90 and name HA   ))   ( (resid 112 and name HE*  )) assign ((resid  90 and name HB   ))   ( (resid 112 and name HE*  )) assign ((resid  97 and name HD2* ))   ( (resid 112 and name HE*  )) assign ((resid 112 and name HA   ))   ( (resid 112 and name HE*  )) assign ((resid 112 and name HB2  ))   ( (resid 112 and name HE*  )) assign ((resid 112 and name HB1  ))   ( (resid 112 and name HE*  )) assign ((resid  27 and name HG2* ))   ( (resid 112 and name HE*  )) assign ((resid  27 and name HD1* ))   ( (resid 112 and name HE*  )) assign ((resid  31 and name HB2  ))   ( (resid 112 and name HE*  )) assign ((resid  31 and name HB1  ))   ( (resid 112 and name HE*  )) assign ((resid  26 and name HB*  ))   ( (resid  28 and name HA   )) assign ((resid  26 and name HB*  ))   ( (resid  28 and name HB   )) assign ((resid  27 and name HG2* ))   ( (resid  90 and name HA   )) assign ((resid  67 and name HG1* ))   ( (resid  70 and name HN   )) assign ((resid  69 and name HB*  ))   ( (resid  71 and name HN   )) assign ((resid  71 and name HG2* ))   ( (resid  74 and name HN   )) assign ((resid  73 and name HA   ))   ( (resid  75 and name HB*  )) assign ((resid  71 and name HN   ))   ( (resid  73 and name HB*  )) assign ((resid  70 and name HG2  ))   ( (resid  73 and name HB*  )) assign ((resid  75 and name HA   ))   ( (resid  83 and name HE*  )) assign ((resid  71 and name HA   ))   ( (resid  74 and name HD2* )) assign ((resid  88 and name HN   ))   ( (resid  91 and name HB*  )) assign ((resid  97 and name HD2* ))   ( (resid 102 and name HB2  )) assign ((resid  97 and name HD1* ))   ( (resid 102 and name HB2  )) assign ((resid  97 and name HD1* ))   ( (resid 102 and name HB1  )) assign ((resid  97 and name HD2* ))   ( (resid 102 and name HB1  )) assign ((resid  58 and name HA   ))   ( (resid  95 and name HG2* )) assign ((resid  86 and name HG1* ))   ( (resid  89 and name HN   )) assign ((resid  27 and name HD1* ))   ( (resid  90 and name HN   )) assign ((resid  27 and name HD1* ))   ( (resid  90 and name HA   )) assign ((resid  39 and name HA   ))   ( (resid  42 and name HD1* )) assign ((resid  54 and name HB*  ))   ( (resid  72 and name HH2  )) assign ((resid  15 and name HD*  ))   ( (resid  16 and name HN   )) assign ((resid  16 and name HB   ))   ( (resid  17 and name HD*  )) assign ((resid  16 and name HG2* ))   ( (resid  17 and name HD*  )) assign ((resid  17 and name HG*  ))   ( (resid  18 and name HD1  )) assign ((resid  18 and name HN   ))   ( (resid  18 and name HB*  )) assign ((resid  22 and name HN   ))   ( (resid  22 and name HB*  )) assign ((resid  23 and name HB*  ))   ( (resid  26 and name HN   )) assign ((resid  25 and name HZ3  ))   ( (resid  94 and name HD*  )) assign ((resid  25 and name HZ2  ))   ( (resid 102 and name HB*  )) assign ((resid  25 and name HH2  ))   ( (resid 102 and name HB*  )) assign ((resid  27 and name HN   ))   ( (resid  27 and name HG1* )) assign ((resid  27 and name HN   ))   ( (resid  31 and name HG*  )) assign ((resid  27 and name HA   ))   ( (resid  31 and name HG*  )) assign ((resid  27 and name HG2* ))   ( (resid  31 and name HB*  )) assign ((resid  27 and name HG1* ))   ( (resid  31 and name HG*  )) assign ((resid  27 and name HG12 ))   ( (resid  31 and name HG2  )) assign ((resid  27 and name HG11 ))   ( (resid  31 and name HG1  )) assign ((resid  27 and name HD1* ))   ( (resid  31 and name HG*  )) assign ((resid  27 and name HD1* ))   ( (resid  90 and name HG1* )) assign ((resid  28 and name HN   ))   ( (resid  31 and name HB*  )) assign ((resid  28 and name HN   ))   ( (resid  31 and name HG*  )) assign ((resid  28 and name HB   ))   ( (resid  30 and name HB*  )) assign ((resid  28 and name HG2* ))   ( (resid  31 and name HG*  )) assign ((resid  29 and name HG*  ))   ( (resid  30 and name HN   )) assign ((resid  29 and name HG*  ))   ( (resid  30 and name HA   )) assign ((resid  29 and name HG*  ))   ( (resid  30 and name HG*  )) assign ((resid  29 and name HG*  ))   ( (resid  33 and name HB*  )) assign ((resid  30 and name HN   ))   ( (resid  30 and name HB*  )) assign ((resid  30 and name HN   ))   ( (resid  30 and name HG*  )) assign ((resid  30 and name HG*  ))   ( (resid  31 and name HN   )) assign ((resid  31 and name HN   ))   ( (resid  31 and name HG*  )) assign ((resid  31 and name HA   ))   ( (resid  34 and name HB*  )) assign ((resid  31 and name HG*  ))   ( (resid  32 and name HN   )) assign ((resid  33 and name HA   ))   ( (resid  36 and name HB*  )) assign ((resid  34 and name HN   ))   ( (resid  34 and name HB*  )) assign ((resid  34 and name HN   ))   ( (resid  34 and name HG*  )) assign ((resid  34 and name HA   ))   ( (resid  34 and name HD*  )) assign ((resid  34 and name HB*  ))   ( (resid  34 and name HE*  )) assign ((resid  34 and name HB2  ))   ( (resid  34 and name HE2  )) assign ((resid  34 and name HB2  ))   ( (resid  34 and name HE1  )) assign ((resid  34 and name HB*  ))   ( (resid  35 and name HN   )) assign ((resid  36 and name HN   ))   ( (resid  36 and name HB*  )) assign ((resid  36 and name HB*  ))   ( (resid  37 and name HN   )) assign ((resid  37 and name HN   ))   ( (resid  37 and name HG*  )) assign ((resid  37 and name HB*  ))   ( (resid  38 and name HN   )) assign ((resid  38 and name HN   ))   ( (resid  38 and name HG*  )) assign ((resid  38 and name HA   ))   ( (resid  38 and name HE2* )) assign ((resid  38 and name HB1  ))   ( (resid  38 and name HE2* )) assign ((resid  39 and name HB*  ))   ( (resid  40 and name HN   )) assign ((resid  39 and name HB*  ))   ( (resid  41 and name HN   )) assign ((resid  40 and name HA   ))   ( (resid  44 and name HG*  )) assign ((resid  40 and name HA   ))   ( (resid  44 and name HD*  )) assign ((resid  41 and name HN   ))   ( (resid  41 and name HB*  )) assign ((resid  41 and name HB*  ))   ( (resid  42 and name HN   )) assign ((resid  42 and name HN   ))   ( (resid  44 and name HD*  )) assign ((resid  42 and name HD1* ))   ( (resid  49 and name HG1* )) assign ((resid  42 and name HD1* ))   ( (resid  53 and name HE2* )) assign ((resid  43 and name HA   ))   ( (resid  43 and name HD*  )) assign ((resid  43 and name HA   ))   ( (resid  44 and name HD*  )) assign ((resid  44 and name HA   ))   ( (resid  45 and name HG1* )) assign ((resid  44 and name HB2  ))   ( (resid  47 and name HA*  )) assign ((resid  45 and name HG2* ))   ( (resid  46 and name HB*  )) assign ((resid  45 and name HG1* ))   ( (resid  48 and name HN   )) assign ((resid  46 and name HB*  ))   ( (resid  48 and name HD1  )) assign ((resid  46 and name HB*  ))   ( (resid  48 and name HE1  )) assign ((resid  48 and name HN   ))   ( (resid  48 and name HB*  )) assign ((resid  48 and name HB*  ))   ( (resid  49 and name HN   )) assign ((resid  49 and name HN   ))   ( (resid  49 and name HG1* )) assign ((resid  49 and name HN   ))   ( (resid  85 and name HE2* )) assign ((resid  49 and name HB   ))   ( (resid  53 and name HB*  )) assign ((resid  49 and name HG2* ))   ( (resid  53 and name HB*  )) assign ((resid  49 and name HG2* ))   ( (resid  53 and name HG*  )) assign ((resid  49 and name HG2* ))   ( (resid  53 and name HE2* )) assign ((resid  49 and name HG1* ))   ( (resid  50 and name HN   )) assign ((resid  49 and name HG1* ))   ( (resid  51 and name HA*  )) assign ((resid  49 and name HG1* ))   ( (resid  85 and name HE2* )) assign ((resid  49 and name HG11 ))   ( (resid  85 and name HE21 )) assign ((resid  49 and name HG11 ))   ( (resid  85 and name HE22 )) assign ((resid  49 and name HD1* ))   ( (resid  53 and name HB*  )) assign ((resid  50 and name HN   ))   ( (resid  53 and name HB*  )) assign ((resid  50 and name HN   ))   ( (resid  53 and name HG*  )) assign ((resid  50 and name HA   ))   ( (resid  85 and name HE2* )) assign ((resid  50 and name HB   ))   ( (resid  52 and name HB*  )) assign ((resid  50 and name HG2* ))   ( (resid  53 and name HG*  )) assign ((resid  51 and name HA*  ))   ( (resid  54 and name HN   )) assign ((resid  51 and name HA*  ))   ( (resid  54 and name HB*  )) assign ((resid  51 and name HA*  ))   ( (resid  72 and name HZ3  )) assign ((resid  52 and name HN   ))   ( (resid  52 and name HB*  )) assign ((resid  52 and name HA   ))   ( (resid  55 and name HB*  )) assign ((resid  53 and name HN   ))   ( (resid  53 and name HB*  )) assign ((resid  53 and name HN   ))   ( (resid  53 and name HG*  )) assign ((resid  53 and name HA   ))   ( (resid  53 and name HE2* )) assign ((resid  53 and name HA   ))   ( (resid  56 and name HD2* )) assign ((resid  53 and name HB1  ))   ( (resid  53 and name HE21 )) assign ((resid  53 and name HB1  ))   ( (resid  53 and name HE22 )) assign ((resid  53 and name HB*  ))   ( (resid  54 and name HN   )) assign ((resid  55 and name HN   ))   ( (resid  55 and name HG*  )) assign ((resid  55 and name HA   ))   ( (resid  58 and name HB*  )) assign ((resid  55 and name HB*  ))   ( (resid  56 and name HN   )) assign ((resid  55 and name HG*  ))   ( (resid  56 and name HN   )) assign ((resid  58 and name HB*  ))   ( (resid  68 and name HD1* )) assign ((resid  58 and name HB*  ))   ( (resid  68 and name HD2* )) assign ((resid  58 and name HB*  ))   ( (resid  95 and name HG2* )) assign ((resid  58 and name HB*  ))   ( (resid  95 and name HD1* )) assign ((resid  59 and name HN   ))   ( (resid  59 and name HB*  )) assign ((resid  59 and name HB*  ))   ( (resid  60 and name HN   )) assign ((resid  59 and name HB*  ))   ( (resid  68 and name HD1* )) assign ((resid  60 and name HN   ))   ( (resid  60 and name HB*  )) assign ((resid  60 and name HN   ))   ( (resid  60 and name HE2* )) assign ((resid  60 and name HA   ))   ( (resid  60 and name HE2* )) assign ((resid  60 and name HE2* ))   ( (resid  61 and name HN   )) assign ((resid  61 and name HB*  ))   ( (resid  62 and name HN   )) assign ((resid  61 and name HB*  ))   ( (resid  63 and name HN   )) assign ((resid  61 and name HB*  ))   ( (resid  63 and name HD1* )) assign ((resid  61 and name HB*  ))   ( (resid  68 and name HD2* )) assign ((resid  61 and name HB*  ))   ( (resid  95 and name HG2* )) assign ((resid  61 and name HB*  ))   ( (resid  99 and name HD*  )) assign ((resid  61 and name HB2  ))   ( (resid  99 and name HD1* )) assign ((resid  61 and name HB2  ))   ( (resid  99 and name HD2* )) assign ((resid  62 and name HA*  ))   ( (resid  99 and name HD*  )) assign ((resid  63 and name HN   ))   ( (resid  63 and name HB*  )) assign ((resid  63 and name HA   ))   ( (resid  64 and name HD*  )) assign ((resid  63 and name HA   ))   ( (resid  99 and name HD*  )) assign ((resid  63 and name HB*  ))   ( (resid  64 and name HD*  )) assign ((resid  63 and name HB*  ))   ( (resid  67 and name HB   )) assign ((resid  63 and name HB*  ))   ( (resid  67 and name HG1* )) assign ((resid  63 and name HB*  ))   ( (resid  67 and name HG2* )) assign ((resid  63 and name HB*  ))   ( (resid  68 and name HN   )) assign ((resid  63 and name HB*  )) 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64 and name HD*  ))   ( (resid  67 and name HB   )) assign ((resid  64 and name HD*  ))   ( (resid  67 and name HG1* )) assign ((resid  64 and name HD*  ))   ( (resid  67 and name HG2* )) assign ((resid  64 and name HD*  ))   ( (resid  68 and name HD2* )) assign ((resid  65 and name HB*  ))   ( (resid  67 and name HN   )) assign ((resid  65 and name HG*  ))   ( (resid  66 and name HD*  )) assign ((resid  65 and name HG*  ))   ( (resid  67 and name HN   )) assign ((resid  65 and name HG*  ))   ( (resid  69 and name HB*  )) assign ((resid  66 and name HB*  ))   ( (resid  67 and name HN   )) assign ((resid  66 and name HB*  ))   ( (resid  67 and name HA   )) assign ((resid  66 and name HB*  ))   ( (resid  67 and name HG2* )) assign ((resid  66 and name HG*  ))   ( (resid  67 and name HN   )) assign ((resid  66 and name HG*  ))   ( (resid  67 and name HG2* )) assign ((resid  66 and name HD*  ))   ( (resid  67 and name HN   )) assign ((resid  66 and name HD*  ))   ( (resid  67 and name HG2* )) assign ((resid  67 and name HN   ))   ( (resid  70 and name HG*  )) assign ((resid  67 and name HA   ))   ( (resid  70 and name HB*  )) assign ((resid  67 and name HG1* ))   ( (resid  70 and name HG*  )) assign ((resid  67 and name HG1* ))   ( (resid  98 and name HB*  )) assign ((resid  67 and name HG1* ))   ( (resid  98 and name HD*  )) assign ((resid  67 and name HG1* ))   ( (resid  98 and name HE*  )) assign ((resid  67 and name HG2* ))   ( (resid  70 and name HG*  )) assign ((resid  67 and name HG2* ))   ( (resid  98 and name HD*  )) assign ((resid  67 and name HG2* ))   ( (resid  98 and name HE*  )) assign ((resid  70 and name HN   ))   ( (resid  70 and name HB*  )) assign ((resid  70 and name HN   ))   ( (resid  71 and name HG1* )) assign ((resid  70 and name HB*  ))   ( (resid  71 and name HN   )) assign ((resid  70 and name HB*  ))   ( (resid  71 and name HG1* )) assign ((resid  70 and name HB*  ))   ( (resid  73 and name HN   )) assign ((resid  70 and name HB*  ))   ( (resid  74 and name HD1* )) assign ((resid  70 and name HG*  ))   ( (resid  73 and name HN   )) assign ((resid  70 and name HG*  ))   ( (resid  73 and name HB*  )) assign ((resid  70 and name HG*  ))   ( (resid  74 and name HG   )) assign ((resid  70 and name HG*  ))   ( (resid  74 and name HD1* )) assign ((resid  70 and name HE2* ))   ( (resid  73 and name HN   )) assign ((resid  70 and name HE2* ))   ( (resid  73 and name HB*  )) assign ((resid  70 and name HE2* ))   ( (resid  74 and name HD2* )) assign ((resid  71 and name HA   ))   ( (resid  94 and name HB*  )) assign ((resid  71 and name HB   ))   ( (resid  94 and name HD*  )) assign ((resid  71 and name HG2* ))   ( (resid  94 and name HB*  )) assign ((resid  71 and name HG2* ))   ( (resid  94 and name HD*  )) assign ((resid  71 and name HG1* ))   ( (resid  74 and name HB2  )) assign ((resid  71 and name HG1* ))   ( (resid  95 and name HB   )) assign ((resid  71 and name HG1* ))   ( (resid  95 and name HD1* )) assign ((resid  71 and name HG1* ))   ( (resid  98 and name HB*  )) assign ((resid  71 and name HG12 ))   ( (resid  98 and name HB2  )) assign ((resid  71 and name HG11 ))   ( (resid  98 and name HB2  )) assign ((resid  71 and name HD1* ))   ( (resid  94 and name HB*  )) assign ((resid  71 and name HD1* ))   ( (resid  94 and name HD*  )) assign ((resid  72 and name HD1  ))   ( (resid  76 and name HB*  )) assign ((resid  72 and name HZ2  ))   ( (resid  76 and name HB*  )) assign ((resid  73 and name HN   ))   ( (resid  94 and name HD*  )) assign ((resid  73 and name HB*  ))   ( (resid  79 and name HD2* )) assign ((resid  74 and name HN   ))   ( (resid 106 and name HB*  )) assign ((resid  74 and name HD2* ))   ( (resid 108 and name HB*  )) assign ((resid  75 and name HA   ))   ( (resid  90 and name HG1* )) assign ((resid  75 and name HA   ))   ( (resid  94 and name HB*  )) assign ((resid  76 and name HN   ))   ( (resid  76 and name HB*  )) assign ((resid  76 and name HB*  ))   ( (resid  79 and name HN   )) assign ((resid  76 and name HB*  ))   ( (resid  80 and name HN   )) assign ((resid  76 and name HB*  ))   ( (resid  83 and name HE*  )) assign ((resid  77 and name HN   ))   ( (resid  79 and name HB*  )) assign ((resid  77 and name HG*  ))   ( (resid  78 and name HN   )) assign ((resid  77 and name HG*  ))   ( (resid  90 and name HG2* )) assign ((resid  77 and name HG*  ))   ( (resid  90 and name HD1* )) assign ((resid  77 and name HE*  ))   ( (resid  90 and name HG1* )) assign ((resid  78 and name HN   ))   ( (resid  87 and name HG*  )) assign ((resid  78 and name HD2* ))   ( (resid  80 and name HA   )) assign ((resid  79 and name HN   ))   ( (resid  79 and name HB*  )) assign ((resid  79 and name HA   ))   ( (resid  87 and name HG*  )) assign ((resid  79 and name HD2* ))   ( (resid  83 and name HN   )) assign ((resid  80 and name HN   ))   ( (resid  80 and name HB*  )) assign ((resid  82 and name HN   ))   ( (resid  82 and name HG*  )) assign ((resid  82 and name HB*  ))   ( (resid  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HN   ))   ( (resid  85 and name HB*  )) assign ((resid  85 and name HN   ))   ( (resid  85 and name HG*  )) assign ((resid  85 and name HN   ))   ( (resid  86 and name HG*  )) assign ((resid  85 and name HA   ))   ( (resid  88 and name HB*  )) assign ((resid  85 and name HB*  ))   ( (resid  89 and name HA   )) assign ((resid  86 and name HG*  ))   ( (resid  90 and name HN   )) assign ((resid  87 and name HN   ))   ( (resid  87 and name HG*  )) assign ((resid  87 and name HB*  ))   ( (resid  90 and name HG2* )) assign ((resid  88 and name HB*  ))   ( (resid  89 and name HN   )) assign ((resid  90 and name HG1* ))   ( (resid  94 and name HN   )) assign ((resid  90 and name HG1* ))   ( (resid 112 and name HE*  )) assign ((resid  90 and name HG1* ))   ( (resid 113 and name HA   )) assign ((resid  90 and name HD1* ))   ( (resid 113 and name HB*  )) assign ((resid  94 and name HA   ))   ( (resid  97 and name HB*  )) assign ((resid  94 and name HB*  ))   ( (resid  95 and name HN   )) assign ((resid  94 and name HB*  ))   ( (resid  95 and name HA   )) assign ((resid  94 and name HB*  ))   ( (resid  95 and name HG1* )) assign ((resid  94 and name HB*  ))   ( (resid  95 and name HD1* )) assign ((resid  94 and name HD*  ))   ( (resid  95 and name HA   )) assign ((resid  94 and name HD*  ))   ( (resid  97 and name HD2* )) assign ((resid  95 and name HA   ))   ( (resid  98 and name HB*  )) assign ((resid  95 and name HG2* ))   ( (resid  98 and name HB*  )) assign ((resid  96 and name HA   ))   ( (resid  99 and name HD*  )) assign ((resid  96 and name HB*  ))   ( (resid  97 and name HN   )) assign ((resid  97 and name HA   ))   ( (resid 100 and name HB*  )) assign ((resid  97 and name HA   ))   ( (resid 100 and name HG*  )) assign ((resid  97 and name HB*  ))   ( (resid 102 and name HN   )) assign ((resid  97 and name HB*  ))   ( (resid 102 and name HB*  )) assign ((resid  97 and name HB2  ))   ( (resid 102 and name HB2  )) assign ((resid  97 and name HB*  ))   ( (resid 102 and name HE*  )) assign ((resid  97 and name HG   ))   ( (resid 100 and name HG*  )) assign ((resid  97 and name HD1* ))   ( (resid 100 and name HG*  )) assign ((resid  97 and name HD2* ))   ( (resid 100 and name HG*  )) assign ((resid  98 and name HA   ))   ( (resid  98 and name HD*  )) assign ((resid  98 and name HB*  ))   ( (resid  98 and name HE*  )) assign ((resid  98 and name HB*  ))   ( (resid  99 and name HN   )) assign ((resid  98 and name HD*  ))   ( (resid  99 and name HN   )) assign ((resid 100 and name HN   ))   ( (resid 100 and name HG*  )) assign ((resid 100 and name HB*  ))   ( (resid 102 and name HD*  )) assign ((resid 100 and name HG*  ))   ( (resid 101 and name HN   )) assign ((resid 100 and name HG*  ))   ( (resid 102 and name HE*  )) assign ((resid 102 and name HN   ))   ( (resid 102 and name HB*  )) assign ((resid 102 and name HA   ))   ( (resid 103 and name HB*  )) assign ((resid 102 and name HB*  ))   ( (resid 103 and name HN   )) assign ((resid 105 and name HG*  ))   ( (resid 107 and name HN   )) assign ((resid 106 and name HN   ))   ( (resid 106 and name HB*  )) assign ((resid 106 and name HB*  ))   ( (resid 107 and name HN   )) assign ((resid 108 and name HD1* ))   ( (resid 112 and name HB*  )) assign ((resid 108 and name HD1* ))   ( (resid 112 and name HG*  )) assign ((resid 110 and name HB*  ))   ( (resid 111 and name HN   )) assign ((resid 110 and name HB*  ))   ( (resid 113 and name HD*  )) assign ((resid 111 and name HN   ))   ( (resid 113 and name HD*  )) assign ((resid 111 and name HA   ))   ( (resid 113 and name HD*  )) assign ((resid 111 and name HA   ))   ( (resid 114 and name HB*  )) assign ((resid 111 and name HA   ))   ( (resid 114 and name HG*  )) assign ((resid 111 and name HG1* ))   ( (resid 114 and name HB*  )) assign ((resid 111 and name HG2* ))   ( (resid 112 and name HB*  )) assign ((resid 112 and name HN   ))   ( (resid 112 and name HB*  )) assign ((resid 112 and name HN   ))   ( (resid 112 and name HG*  )) assign ((resid 112 and name HN   ))   ( (resid 113 and name HG*  )) assign ((resid 112 and name HN   ))   ( (resid 113 and name HD*  )) assign ((resid 112 and name HG*  ))   ( (resid 113 and name HN   )) assign ((resid 113 and name HN   ))   ( (resid 113 and name HB*  )) assign ((resid 113 and name HN   ))   ( (resid 113 and name HG*  )) assign ((resid 113 and name HN   ))   ( (resid 114 and name HB*  )) assign ((resid 114 and name HN   ))   ( (resid 114 and name HB*  )) assign ((resid 114 and name HB*  ))   ( (resid 115 and name HN   )) assign ((resid 115 and name HA   ))   ( (resid 116 and name HD*  )) assign ((resid 115 and name HB2  ))   ( (resid 116 and name HD*  )) assign ((resid 116 and name HB*  ))   ( (resid 117 and name HN   )) assign ((resid 117 and name HG*  ))   ( (resid 118 and name HA   )) assign ((resid 119 and name HN   ))   ( (resid 119 and name HG1* ))

2.99 2.99 0.00 3.52 3.52 0.00 5.00 5.00 0.00 4.94 4.94 0.00 3.14 3.14 0.00 4.60 4.60 0.00 4.60 4.60 0.00 3.33 3.33 0.00 4.07 4.07 0.00 4.07 4.07 0.00 4.07 4.07 0.00 3.17 3.17 0.00 5.19 5.19 0.00 5.19 5.19 0.00 3.67 3.67 0.00 3.64 3.64 0.00 2.96 2.96 0.00 4.82 4.82 0.00 3.92 3.92 0.00 2.80 2.80 0.00 3.17 3.17 0.00 4.38 4.38 0.00 4.79 4.79 0.00 3.83 3.83 0.00 3.83 3.83 0.00 3.39 3.39 0.00 3.70 3.70 0.00 3.95 3.95 0.00 4.20 4.20 0.00 3.95 3.95 0.00 3.95 3.95 0.00 3.55 3.55 0.00 4.17 4.17 0.00 3.79 3.79 0.00 3.98 3.98 0.00 3.98 3.98 0.00 4.45 4.45 0.00 4.45 4.45 0.00 3.21 3.21 0.00 4.45 4.45 0.00 4.35 4.35 0.00 2.90 2.90 0.00 3.73 3.73 0.00 4.11 4.11 0.00 5.50 5.50 0.00 3.27 3.27 0.00 3.11 3.11 0.00 4.51 4.51 0.00 4.51 4.51 0.00 3.11 3.11 0.00 3.36 3.36 0.00 2.99 2.99 0.00 3.79 3.79 0.00 3.79 3.79 0.00 3.36 3.36 0.00 4.11 4.11 0.00 3.42 3.42 0.00 4.14 4.14 0.00 4.14 4.14 0.00 3.86 3.86 0.00 3.27 3.27 0.00 4.01 4.01 0.00 3.70 3.70 0.00 3.39 3.39 0.00 5.50 5.50 0.00 4.35 4.35 0.00 4.35 4.35 0.00 3.45 3.45 0.00 5.28 5.28 0.00 5.28 5.28 0.00 3.27 3.27 0.00 4.23 4.23 0.00 4.23 4.23 0.00 3.21 3.21 0.00 4.23 4.23 0.00 4.63 4.63 0.00 4.63 4.63 0.00 3.48 3.48 0.00 3.27 3.27 0.00 3.79 3.79 0.00 3.39 3.39 0.00 4.23 4.23 0.00 3.30 3.30 0.00 3.33 3.33 0.00 3.11 3.11 0.00 3.02 3.02 0.00 2.93 2.93 0.00 3.30 3.30 0.00 3.48 3.48 0.00 2.99 2.99 0.00 3.02 3.02 0.00 5.07 5.07 0.00 5.07 5.07 0.00 3.64 3.64 0.00 3.92 3.92 0.00 3.17 3.17 0.00 2.71 2.71 0.00 4.66 4.66 0.00 4.66 4.66 0.00 5.28 5.28 0.00 5.28 5.28 0.00 3.36 3.36 0.00 3.36 3.36 0.00 3.67 3.67 0.00 3.67 3.67 0.00 4.91 4.91 0.00 2.90 2.90 0.00 4.54 4.54 0.00 4.54 4.54 0.00 3.42 3.42 0.00 3.70 3.70 0.00 3.70 3.70 0.00 4.63 4.63 0.00 3.70 3.70 0.00 3.86 3.86 0.00 3.48 3.48 0.00 4.48 4.48 0.00 4.48 4.48 0.00 3.55 3.55 0.00 3.55 3.55 0.00 3.55 3.55 0.00 3.55 3.55 0.00 4.04 4.04 0.00 3.70 3.70 0.00 4.23 4.23 0.00 4.23 4.23 0.00 4.88 4.88 0.00 5.19 5.19 0.00 5.50 5.50 0.00 5.50 5.50 0.00 3.24 3.24 0.00 3.17 3.17 0.00 3.61 3.61 0.00 3.61 3.61 0.00 3.02 3.02 0.00 3.86 3.86 0.00 3.11 3.11 0.00 4.20 4.20 0.00 4.20 4.20 0.00 2.96 2.96 0.00 4.35 4.35 0.00 3.45 3.45 0.00 3.95 3.95 0.00 5.04 5.04 0.00 5.04 5.04 0.00 5.25 5.25 0.00 2.96 2.96 0.00 3.70 3.70 0.00 3.70 3.70 0.00 2.93 2.93 0.00 4.54 4.54 0.00 2.74 2.74 0.00 3.64 3.64 0.00 4.04 4.04 0.00 3.92 3.92 0.00 3.86 3.86 0.00 3.86 3.86 0.00 3.70 3.70 0.00 3.58 3.58 0.00 3.67 3.67 0.00 3.58 3.58 0.00 3.08 3.08 0.00 2.99 2.99 0.00 3.39 3.39 0.00 3.64 3.64 0.00 3.70 3.70 0.00 3.70 3.70 0.00 3.27 3.27 0.00 3.89 3.89 0.00 3.48 3.48 0.00 3.48 3.48 0.00 3.52 3.52 0.00 3.58 3.58 0.00 2.65 2.65 0.00 3.21 3.21 0.00 3.86 3.86 0.00 3.86 3.86 0.00 3.48 3.48 0.00 3.48 3.48 0.00 3.76 3.76 0.00 3.76 3.76 0.00 2.86 2.86 0.00 3.61 3.61 0.00 3.61 3.61 0.00 4.04 4.04 0.00 4.04 4.04 0.00 3.89 3.89 0.00 3.89 3.89 0.00 3.89 3.89 0.00 4.04 4.04 0.00 3.79 3.79 0.00 3.79 3.79 0.00 3.02 3.02 0.00 3.55 3.55 0.00 3.24 3.24 0.00 3.24 3.24 0.00 3.27 3.27 0.00 3.30 3.30 0.00 3.24 3.24 0.00 3.45 3.45 0.00 3.42 3.42 0.00 3.42 3.42 0.00 3.64 3.64 0.00 3.89 3.89 0.00 4.07 4.07 0.00 4.07 4.07 0.00 2.77 2.77 0.00 3.76 3.76 0.00 3.76 3.76 0.00 3.83 3.83 0.00 3.83 3.83 0.00 4.07 4.07 0.00 4.07 4.07 0.00 3.86 3.86 0.00 3.86 3.86 0.00 3.86 3.86 0.00 3.86 3.86 0.00 3.21 3.21 0.00 3.52 3.52 0.00 3.52 3.52 0.00 3.83 3.83 0.00 3.17 3.17 0.00 3.30 3.30 0.00 3.30 3.30 0.00 4.11 4.11 0.00 3.76 3.76 0.00 3.76 3.76 0.00 3.83 3.83 0.00 3.83 3.83 0.00 3.64 3.64 0.00 3.64 3.64 0.00 3.08 3.08 0.00 3.64 3.64 0.00 3.64 3.64 0.00 3.83 3.83 0.00 3.83 3.83 0.00 4.01 4.01 0.00 4.01 4.01 0.00 3.86 3.86 0.00 3.21 3.21 0.00 3.33 3.33 0.00 5.34 5.34 0.00 4.79 4.79 0.00 4.85 4.85 0.00 5.19 5.19 0.00 3.55 3.55 0.00 3.42 3.42 0.00 3.98 3.98 0.00 3.45 3.45 0.00 3.39 3.39 0.00 3.70 3.70 0.00 3.21 3.21 0.00 3.76 3.76 0.00 3.48 3.48 0.00 3.48 3.48 0.00 5.50 5.50 0.00 4.72 4.72 0.00 3.83 3.83 0.00 3.45 3.45 0.00 3.36 3.36 0.00 3.36 3.36 0.00 3.05 3.05 0.00 3.08 3.08 0.00 3.14 3.14 0.00 3.14 3.14 0.00 3.27 3.27 0.00 4.07 4.07 0.00 5.50 5.50 0.00 2.96 2.96 0.00 5.10 5.10 0.00 5.13 5.13 0.00 3.61 3.61 0.00 3.89 3.89 0.00 3.92 3.92 0.00 4.85 4.85 0.00 3.48 3.48 0.00 4.51 4.51 0.00 3.61 3.61 0.00 3.36 3.36 0.00 4.32 4.32 0.00 4.54 4.54 0.00 4.48 4.48 0.00 3.27 3.27 0.00 3.14 3.14 0.00 4.45 4.45 0.00 5.19 5.19 0.00 5.50 5.50 0.00 4.82 4.82 0.00 5.07 5.07 0.00 4.57 4.57 0.00 3.70 3.70 0.00 5.25 5.25 0.00 4.66 4.66 0.00 4.72 4.72 0.00 4.66 4.66 0.00 4.45 4.45 0.00 4.23 4.23 0.00 4.97 4.97 0.00 3.95 3.95 0.00 5.13 5.13 0.00 4.29 4.29 0.00 4.63 4.63 0.00 4.66 4.66 0.00 5.16 5.16 0.00 5.16 5.16 0.00 4.11 4.11 0.00 4.85 4.85 0.00 5.04 5.04 0.00 5.10 5.10 0.00 4.66 4.66 0.00 4.69 4.69 0.00 4.45 4.45 0.00 5.04 5.04 0.00 4.32 4.32 0.00 4.60 4.60 0.00 4.63 4.63 0.00 4.04 4.04 0.00 4.82 4.82 0.00 4.14 4.14 0.00 4.66 4.66 0.00 4.35 4.35 0.00 4.01 4.01 0.00 4.38 4.38 0.00 4.79 4.79 0.00 5.50 5.50 0.00 5.50 5.50 0.00 4.14 4.14 0.00 4.35 4.35 0.00 4.57 4.57 0.00 4.57 4.57 0.00 4.04 4.04 0.00 3.98 3.98 0.00 5.04 5.04 0.00 4.66 4.66 0.00 4.54 4.54 0.00 5.50 5.50 0.00 4.57 4.57 0.00 4.38 4.38 0.00 3.76 3.76 0.00 4.42 4.42 0.00 3.48 3.48 0.00 3.73 3.73 0.00 3.61 3.61 0.00 4.17 4.17 0.00 3.89 3.89 0.00 4.35 4.35 0.00 4.35 4.35 0.00 4.51 4.51 0.00 4.79 4.79 0.00 3.95 3.95 0.00 4.48 4.48 0.00 4.69 4.69 0.00 5.22 5.22 0.00 3.08 3.08 0.00 4.38 4.38 0.00 4.88 4.88 0.00 5.13 5.13 0.00 4.45 4.45 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 4.79 4.79 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.19 5.19 0.00 5.47 5.47 0.00 5.47 5.47 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 4.82 4.82 0.00 4.69 4.69 0.00 4.69 4.69 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.28 5.28 0.00 5.50 5.50 0.00 4.69 4.69 0.00 5.10 5.10 0.00 4.82 4.82 0.00 4.82 4.82 0.00 5.07 5.07 0.00 5.07 5.07 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 4.60 4.60 0.00 5.50 5.50 0.00 5.31 5.31 0.00 4.32 4.32 0.00 4.32 4.32 0.00 3.76 3.76 0.00 3.98 3.98 0.00 3.98 3.98 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.41 5.41 0.00 5.41 5.41 0.00 5.25 5.25 0.00 5.25 5.25 0.00 5.19 5.19 0.00 4.32 4.32 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 4.63 4.63 0.00 7.63 7.63 0.00 4.26 4.26 0.00 4.76 4.76 0.00 4.76 4.76 0.00 5.50 5.50 0.00 4.72 4.72 0.00 4.72 4.72 0.00 5.00 5.00 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.00 5.00 0.00 3.79 3.79 0.00 3.79 3.79 0.00 5.50 5.50 0.00 5.10 5.10 0.00 5.10 5.10 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 7.26 7.26 0.00 7.26 7.26 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.43 5.43 0.00 6.36 6.36 0.00 5.31 5.31 0.00 6.12 6.12 0.00 6.21 6.21 0.00 6.52 6.52 0.00 4.19 4.19 0.00 6.33 6.33 0.00 5.65 5.65 0.00 5.03 5.03 0.00 6.52 6.52 0.00 6.52 6.52 0.00 5.81 5.81 0.00 4.32 4.32 0.00 3.64 3.64 0.00 4.50 4.50 0.00 5.28 5.28 0.00 4.29 4.29 0.00 5.62 5.62 0.00 4.16 4.16 0.00 5.43 5.43 0.00 5.00 5.00 0.00 3.60 3.60 0.00 5.15 5.15 0.00 5.06 5.06 0.00 4.41 4.41 0.00 6.21 6.21 0.00 6.49 6.49 0.00 5.81 5.81 0.00 5.71 5.71 0.00 6.52 6.52 0.00 6.52 6.52 0.00 5.56 5.56 0.00 6.52 6.52 0.00 5.71 5.71 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.39 6.39 0.00 6.52 6.52 0.00 5.62 5.62 0.00 6.52 6.52 0.00 6.30 6.30 0.00 6.24 6.24 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.43 6.43 0.00 6.52 6.52 0.00 5.28 5.28 0.00 5.59 5.59 0.00 6.52 6.52 0.00 6.30 6.30 0.00 6.52 6.52 0.00 5.68 5.68 0.00 5.34 5.34 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 3.70 3.70 0.00 3.39 3.39 0.00 3.64 3.64 0.00 3.61 3.61 0.00 3.61 3.61 0.00 3.48 3.48 0.00 3.30 3.30 0.00 3.30 3.30 0.00 3.89 3.89 0.00 4.04 4.04 0.00 3.98 3.98 0.00 3.52 3.52 0.00 4.11 4.11 0.00 3.89 3.89 0.00 3.89 3.89 0.00 3.67 3.67 0.00 4.04 4.04 0.00 3.86 3.86 0.00 3.86 3.86 0.00 5.50 5.50 0.00 5.50 5.50 0.00 4.20 4.20 0.00 4.17 4.17 0.00 4.45 4.45 0.00 4.45 4.45 0.00 5.25 5.25 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 4.72 4.72 0.00 4.72 4.72 0.00 4.11 4.11 0.00 4.04 4.04 0.00 5.50 5.50 0.00 4.23 4.23 0.00 3.89 3.89 0.00 4.63 4.63 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 4.57 4.57 0.00 5.50 5.50 0.00 5.50 5.50 0.00 4.63 4.63 0.00 4.63 4.63 0.00 4.35 4.35 0.00 4.54 4.54 0.00 4.51 4.51 0.00 5.50 5.50 0.00 4.35 4.35 0.00 4.66 4.66 0.00 4.48 4.48 0.00 4.35 4.35 0.00 4.11 4.11 0.00 5.16 5.16 0.00 4.04 4.04 0.00 5.50 5.50 0.00 4.63 4.63 0.00 4.60 4.60 0.00 5.41 5.41 0.00 5.50 5.50 0.00 4.66 4.66 0.00 5.00 5.00 0.00 5.04 5.04 0.00 5.00 5.00 0.00 4.11 4.11 0.00 4.60 4.60 0.00 4.32 4.32 0.00 4.32 4.32 0.00 4.01 4.01 0.00 5.50 5.50 0.00 5.50 5.50 0.00 3.83 3.83 0.00 3.83 3.83 0.00 4.91 4.91 0.00 3.39 3.39 0.00 4.38 4.38 0.00 3.36 3.36 0.00 4.76 4.76 0.00 4.48 4.48 0.00 4.11 4.11 0.00 4.91 4.91 0.00 5.50 5.50 0.00 4.45 4.45 0.00 4.66 4.66 0.00 4.66 4.66 0.00 4.51 4.51 0.00 3.92 3.92 0.00 4.72 4.72 0.00 5.50 5.50 0.00 4.51 4.51 0.00 5.47 5.47 0.00 5.50 5.50 0.00 5.50 5.50 0.00 4.01 4.01 0.00 4.38 4.38 0.00 4.45 4.45 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 4.45 4.45 0.00 5.13 5.13 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 7.26 7.26 0.00 7.26 7.26 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.41 5.41 0.00 5.41 5.41 0.00 5.28 5.28 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 4.85 4.85 0.00 5.50 5.50 0.00 4.85 4.85 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 7.26 7.26 0.00 7.26 7.26 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 4.45 4.45 0.00 4.45 4.45 0.00 4.85 4.85 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.47 5.47 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.41 5.41 0.00 5.41 5.41 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 7.63 7.63 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 4.91 4.91 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.19 5.19 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.04 5.04 0.00 7.63 7.63 0.00 7.63 7.63 0.00 7.63 7.63 0.00 5.50 5.50 0.00 4.69 4.69 0.00 4.69 4.69 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.00 5.00 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.04 5.04 0.00 5.50 5.50 0.00 5.50 5.50 0.00 3.67 3.67 0.00 5.50 5.50 0.00 3.67 3.67 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 4.11 4.11 0.00 4.88 4.88 0.00 7.26 7.26 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 4.69 4.69 0.00 5.50 5.50 0.00 7.20 7.20 0.00 7.20 7.20 0.00 7.20 7.20 0.00 7.63 7.63 0.00 7.63 7.63 0.00 7.63 7.63 0.00 7.63 7.63 0.00 5.50 5.50 0.00 5.47 5.47 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.47 5.47 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 7.26 7.26 0.00 7.26 7.26 0.00 7.26 7.26 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 7.63 7.63 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 7.26 7.26 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 7.26 7.26 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.50 5.50 0.00 7.63 7.63 0.00 5.50 5.50 0.00 5.50 5.50 0.00 5.93 5.93 0.00 4.69 4.69 0.00 4.47 4.47 0.00 5.93 5.93 0.00 5.90 5.90 0.00 4.88 4.88 0.00 4.50 4.50 0.00 5.37 5.37 0.00 4.57 4.57 0.00 5.34 5.34 0.00 4.32 4.32 0.00 5.28 5.28 0.00 5.28 5.28 0.00 4.63 4.63 0.00 5.81 5.81 0.00 5.22 5.22 0.00 5.22 5.22 0.00 5.71 5.71 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.05 6.05 0.00 6.52 6.52 0.00 6.05 6.05 0.00 6.52 6.52 0.00 6.18 6.18 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.12 6.12 0.00 6.52 6.52 0.00 6.43 6.43 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.43 6.43 0.00 6.52 6.52 0.00 6.52 6.52 0.00 5.77 5.77 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 5.22 5.22 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.46 6.46 0.00 6.46 6.46 0.00 6.52 6.52 0.00 6.70 6.70 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.43 6.43 0.00 6.33 6.33 0.00 6.36 6.36 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.43 6.43 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 4.57 4.57 0.00 6.52 6.52 0.00 6.12 6.12 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 5.22 5.22 0.00 6.09 6.09 0.00 7.54 7.54 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.30 6.30 0.00 6.46 6.46 0.00 6.52 6.52 0.00 6.33 6.33 0.00 6.21 6.21 0.00 6.21 6.21 0.00 5.56 5.56 0.00 6.76 6.76 0.00 6.52 6.52 0.00 5.00 5.00 0.00 5.65 5.65 0.00 5.65 5.65 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 5.34 5.34 0.00 6.52 6.52 0.00 7.54 7.54 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.08 6.08 0.00 4.69 4.69 0.00 5.37 5.37 0.00 6.30 6.30 0.00 6.52 6.52 0.00 6.52 6.52 0.00 5.53 5.53 0.00 6.15 6.15 0.00 6.33 6.33 0.00 6.52 6.52 0.00 6.52 6.52 0.00 5.43 5.43 0.00 5.43 5.43 0.00 6.05 6.05 0.00 6.05 6.05 0.00 6.52 6.52 0.00 6.21 6.21 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6.18 6.18 0.00 6.52 6.52 0.00 6.30 6.30 0.00 5.71 5.71 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 7.54 7.54 0.00 6.52 6.52 0.00 5.40 5.40 0.00 6.64 6.64 0.00 8.28 8.28 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 7.54 7.54 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 7.54 7.54 0.00 7.54 7.54 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 0.00 6.52 6.52 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3.62 0.00 4.18 4.18 0.00 4.52 4.52 0.00 6.36 6.36 0.00 6.38 6.38 0.00 7.40 7.40 0.00 7.40 7.40 0.00 7.38 7.38 0.00 6.38 6.38 0.00 7.26 7.26 0.00 6.32 6.32 0.00 7.26 7.26 0.00 7.26 7.26 0.00 7.40 7.40 0.00 4.12 4.12 0.00 6.38 6.38 0.00 6.36 6.36 0.00 6.38 6.38 0.00 7.40 7.40 0.00 5.42 5.42 0.00 7.40 7.40 0.00 6.38 6.38 0.00 3.18 3.18 0.00 5.73 5.73 0.00 3.81 3.81 0.00 5.22 5.22 0.00 6.36 6.36 0.00 6.36 6.36 0.00 7.26 7.26 0.00 7.26 7.26 0.00 3.89 3.89 0.00 4.70 4.70 0.00 6.29 6.29 0.00 3.81 3.81 0.00 6.38 6.38 0.00 7.40 7.40 0.00 5.78 5.78 0.00 7.40 7.40 0.00 6.10 6.10 0.00 3.10 3.10 0.00 4.14 4.14 0.00 7.40 7.40 0.00 3.63 3.63 0.00 6.36 6.36 0.00 6.36 6.36 0.00 6.36 6.36 0.00 4.03 4.03 0.00 6.26 6.26 0.00 6.97 6.97 0.00 7.40 7.40 0.00 5.17 5.17 0.00 7.24 7.24 0.00 8.28 8.28 0.00 8.28 8.28 0.00 8.94 8.94 0.00 3.85 3.85 0.00 3.48 3.48 0.00 8.07 8.07 0.00 5.24 5.24 0.00 6.04 6.04 0.00 6.10 6.10 0.00 7.40 7.40 0.00 5.23 5.23 0.00 6.38 6.38 0.00 7.40 7.40 0.00 7.40 7.40 0.00 7.40 7.40 0.00 5.80 5.80 0.00 7.40 7.40 0.00 7.19 7.19 0.00 5.27 5.27 0.00 5.71 5.71 0.00 6.08 6.08 0.00 5.77 5.77 0.00 4.94 4.94 0.00 4.91 4.91 0.00 6.39 6.39 0.00 5.52 5.52 0.00 5.93 5.93 0.00 6.39 6.39 0.00 5.85 5.85 0.00 7.41 7.41 0.00 6.38 6.38 0.00 7.27 7.27 0.00 6.38 6.38 0.00 6.38 6.38 0.00 4.42 4.42 0.00 5.92 5.92 0.00 5.76 5.76 0.00 5.11 5.11 0.00 7.41 7.41 0.00 5.09 5.09 0.00 7.41 7.41 0.00 6.38 6.38 0.00 4.06 4.06 0.00 7.40 7.40 0.00 6.81 6.81 0.00 6.11 6.11 0.00 5.49 5.49 0.00 7.40 7.40 0.00 7.40 7.40 0.00 5.95 5.95 0.00 3.02 3.02 0.00 6.38 6.38 0.00 3.89 3.89 0.00 7.26 7.26 0.00 6.38 6.38 0.00 5.90 5.90 0.00 6.38 6.38 0.00 6.32 6.32 0.00 6.38 6.38 0.00 6.11 6.11 0.00 6.36 6.36 0.00 7.38 7.38 0.00 7.38 7.38 0.00 6.38 6.38 0.00 8.07 8.07 0.00 5.54 5.54 0.00 9.09 9.09 0.00 6.38 6.38 0.00 6.38 6.38 0.00 5.79 5.79 0.00 6.32 6.32 0.00 7.26 7.26 0.00 7.26 7.26 0.00 7.40 7.40 0.00 8.16 8.16 0.00 6.38 6.38 0.00 6.38 6.38 0.00 8.07 8.07 0.00 7.38 7.38 0.00 6.38 6.38 0.00 6.37 6.37 0.00 6.38 6.38 0.00 6.38 6.38 0.00 3.13 3.13 0.00 6.38 6.38 0.00 6.38 6.38 0.00 7.21 7.21 0.00 6.38 6.38 0.00 5.32 5.32 0.00 7.40 7.40 0.00 6.34 6.34 0.00 5.14 5.14 0.00 6.38 6.38 0.00 6.36 6.36 0.00 3.53 3.53 0.00 6.38 6.38 0.00 6.36 6.36 0.00 3.60 3.60 0.00 5.17 5.17 0.00 3.44 3.44 0.00 6.38 6.38 0.00 3.82 3.82 0.00 4.28 4.28 0.00 6.32 6.32 0.00 7.26 7.26 0.00 7.26 7.26 0.00 5.14 5.14 0.00 6.28 6.28 0.00 4.15 4.15 0.00 3.50 3.50 0.00 5.54 5.54 0.00 7.24 7.24 0.00 8.28 8.28 0.00 8.28 8.28 0.00 3.62 3.62 0.00 4.82 4.82 0.00 8.07 8.07 0.00 4.50 4.50 0.00 6.38 6.38 0.00 8.07 8.07 0.00 5.02 5.02 0.00 7.40 7.40 0.00 4.16 4.16 0.00 6.38 6.38 0.00 7.40 7.40 0.00 5.70 5.70 0.00 7.40 7.40 0.00 4.83 4.83 0.00 3.22 3.22 0.00 5.20 5.20 0.00 7.26 7.26 0.00 7.40 7.40 0.00 8.07 8.07 0.00 9.09 9.09 0.00 5.23 5.23 0.00 7.40 7.40 0.00 8.07 8.07 0.00 4.36 4.36 0.00 4.52 4.52 0.00 6.38 6.38 0.00 6.38 6.38 0.00 5.83 5.83 0.00 7.20 7.20 0.00 8.51 8.51 0.00 6.38 6.38 0.00 7.40 7.40 0.00 7.40 7.40 0.00 6.38 6.38 0.00 5.28 5.28 0.00 3.68 3.68 0.00 6.38 6.38 0.00 5.02 5.02 0.00 8.51 8.51 0.00 6.38 6.38 0.00 8.51 8.51 0.00 3.36 3.36 0.00 5.64 5.64 0.00 3.42 3.42 0.00 5.43 5.43 0.00 3.66 3.66 0.00 4.04 4.04 0.00 7.40 7.40 0.00 7.40 7.40 0.00 3.97 3.97 0.00 7.27 7.27 0.00 6.38 6.38 0.00 6.38 6.38 0.00 5.17 5.17 0.00 4.73 4.73 0.00 7.40 7.40 0.00 7.40 7.40 0.00 3.42 3.42 0.00 4.11 4.11 0.00 6.07 6.07 0.00 6.38 6.38 0.00 5.33 5.33 0.00 3.63 3.63 0.00 5.27 5.27 0.00 5.73 5.73 0.00 3.73 3.73 0.00 3.53 3.53 0.00 3.62 3.62 0.00 6.39 6.39 0.00 4.36 4.36 0.00 6.83 6.83 0.00 4.55 4.55 0.00

list of removed NOE constraints

   350-> ASP    80 HN   - GLY     81 HA1   0.00  4.97 	 # NoRestrctn S [2.00 3.99] -- sequential
   355-> SER   106 HN   - ALA    107 HA    0.00  5.04 	 # NoRestrctn S [2.00 3.99] -- sequential
   539-> LEU    22 HN   - LEU     22 HD1*  0.00  6.52 	 # NoRestrctn I [2.29 6.01] -- intra 
   540-> LEU    22 HN   - LEU     22 HD2*  0.00  6.52 	 # NoRestrctn I [2.29 6.01] -- intra 
   548-> LEU    68 HN   - LEU     68 HD2*  0.00  6.12 	 # NoRestrctn I [2.29 6.01] -- intra 
   551-> LEU    74 HN   - LEU     74 HD1*  0.00  6.52 	 # NoRestrctn I [2.29 6.01] -- intra 
   553-> LEU    94 HN   - LEU     94 HD1*  0.00  6.52 	 # NoRestrctn I [2.29 6.01] -- intra 
   554-> LEU    94 HN   - LEU     94 HD2*  0.00  6.52 	 # NoRestrctn I [2.29 6.01] -- intra 
   556-> LEU   108 HN   - LEU    108 HD1*  0.00  6.33 	 # NoRestrctn I [2.29 6.01] -- intra 
   557-> LEU   108 HN   - LEU    108 HD2*  0.00  6.12 	 # NoRestrctn I [2.29 6.01] -- intra 
   588-> LEU    74 HN   - ALA     75 HB*   0.00  6.43 	 # NoRestrctn S [2.00 6.01] -- sequential
   596-> SER   106 HN   - ALA    107 HB*   0.00  6.52 	 # NoRestrctn S [2.00 6.01] -- sequential
   890-> GLN   115 HA   - PRO    116 HD2   0.00  3.98 	 # NoRestrctn S [2.00 3.95] -- sequential
   891-> GLN   115 HA   - PRO    116 HD1   0.00  3.98 	 # NoRestrctn S [2.00 3.95] -- sequential
   939-> ILE    27 HN   - ILE     27 HD1*  0.00  6.52 	 # NoRestrctn I [2.29 6.01] -- intra 
   943-> ILE    45 HN   - ILE     45 HD1*  0.00  6.52 	 # NoRestrctn I [2.29 6.01] -- intra 
   944-> ILE    49 HN   - ILE     49 HD1*  0.00  6.52 	 # NoRestrctn I [2.29 6.01] -- intra 
   946-> LEU    63 HA   - LEU     63 HD1*  0.00  6.52 	 # NoRestrctn I [2.11 5.99] -- intra 
   952-> ILE    90 HN   - ILE     90 HD1*  0.00  6.52 	 # NoRestrctn I [2.29 6.01] -- intra 
   955-> LEU    97 HN   - LEU     97 HD1*  0.00  6.52 	 # NoRestrctn I [2.29 6.01] -- intra 
   957-> LEU    97 HN   - LEU     97 HD2*  0.00  6.15 	 # NoRestrctn I [2.29 6.01] -- intra 
   959-> LEU    99 HN   - LEU     99 HD1*  0.00  6.52 	 # NoRestrctn I [2.29 6.01] -- intra 
   961-> LEU    99 HN   - LEU     99 HD2*  0.00  6.52 	 # NoRestrctn I [2.29 6.01] -- intra 
   964-> LEU   108 HA   - LEU    108 HD2*  0.00  6.49 	 # NoRestrctn I [2.11 5.99] -- intra 
   965-> ILE   119 HN   - ILE    119 HD1*  0.00  6.52 	 # NoRestrctn I [2.29 6.01] -- intra 
   989-> TRP    25 HN   - ALA     26 HB*   0.00  6.52 	 # NoRestrctn S [2.00 6.01] -- sequential
  1006-> TRP    72 HN   - ALA     73 HB*   0.00  6.52 	 # NoRestrctn S [2.00 6.01] -- sequential
  1014-> VAL   117 HN   - ALA    118 HB*   0.00  6.52 	 # NoRestrctn S [2.00 6.01] -- sequential
  1131-> ALA    73 HB*  - LEU     74 HA    0.00  6.52 	 # NoRestrctn S [2.00 6.01] -- sequential
  1229-> ALA    54 HB*  - ARG     55 HA    0.00  6.52 	 # NoRestrctn S [2.00 6.01] -- sequential
  1265-> VAL   117 HA   - ALA    118 HB*   0.00  6.52 	 # NoRestrctn S [2.00 6.01] -- sequential
  1400-> ASN    56 HN   - ASN     56 HD2*  0.00  6.36 	 # NoRestrctn I [2.29 6.01] -- intra 
  1591-> MET   112 HN   - LYS    113 HB*   0.00  6.38 	 # NoRestrctn S [2.00 6.01] -- sequential
 ====== TOTAL ======:  33

table of distance constraints violations


  Residual Violations greater than 0.10 

    5-> SER     21 HA   - LEU     22 HN   [ 0.00  3.14]  0.00  0.17  0.07  0.00  0.09  0.00  0.19  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   4 [ 0.07 ..  0.19]
    8-> LEU     22 HA   - ASP     23 HN   [ 0.00  3.33]  0.00  0.00  0.00  0.00  0.00  0.13  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.00 ..  0.13]
    9-> LEU     22 HB2  - ASP     23 HN   [ 0.00  4.07]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.15  0.00 -   1 [ 0.15 ..  0.15]
   11-> ASP     23 HN   - THR     24 HN   [ 0.00  4.07]  0.27  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.06  0.00  0.00  0.00  0.48  0.00  0.00  0.00  0.00 -   3 [ 0.06 ..  0.48]
   12-> ASP     23 HA   - THR     24 HN   [ 0.00  3.17]  0.00  0.00  0.00  0.03  0.00  0.00  0.13  0.00  0.00  0.00  0.00  0.00  0.03  0.00  0.00  0.00  0.00  0.00 -   3 [ 0.03 ..  0.13]
   19-> TRP     25 HB3  - ALA     26 HN   [ 0.00  3.92]  0.16  0.00  0.00  0.05  0.12  0.05  0.00  0.17  0.10  0.02  0.00  0.06  0.49  0.17  0.09  0.29  0.13  0.04 -  14 [ 0.02 ..  0.49]
   27-> ARG     32 HB2  - ALA     33 HN   [ 0.00  3.70]  0.10  0.13  0.13  0.09  0.16  0.10  0.14  0.17  0.10  0.19  0.15  0.12  0.14  0.08  0.13  0.19  0.12  0.12 -  18 [ 0.08 ..  0.19]
   30-> HIS     35 HB2  - ASP     36 HN   [ 0.00  3.95]  0.00  0.00  0.00  0.00  0.11  0.00  0.00  0.00  0.00  0.28  0.03  0.00  0.14  0.00  0.00  0.00  0.04  0.00 -   5 [ 0.03 ..  0.28]
   81-> LEU     68 HB3  - ALA     69 HN   [ 0.00  3.39]  0.08  0.08  0.10  0.09  0.18  0.11  0.07  0.09  0.14  0.04  0.09  0.11  0.10  0.10  0.08  0.11  0.10  0.10 -  18 [ 0.04 ..  0.18]
   98-> ASN     79 HB2  - ASP     80 HN   [ 0.00  4.66]  0.10  0.00  0.11  0.00  0.10  0.11  0.00  0.00  0.00  0.00  0.10  0.14  0.00  0.00  0.10  0.09  0.08  0.00 -   9 [ 0.08 ..  0.14]
  103-> ARG     82 HA   - MET     83 HN   [ 0.00  3.36]  0.09  0.09  0.13  0.13  0.11  0.12  0.08  0.10  0.11  0.12  0.12  0.08  0.00  0.05  0.06  0.08  0.12  0.13 -  17 [ 0.05 ..  0.13]
  105-> ARG     82 HB3  - MET     83 HN   [ 0.00  3.67]  0.10  0.07  0.09  0.00  0.01  0.04  0.02  0.11  0.00  0.06  0.02  0.07  0.11  0.22  0.09  0.05  0.00  0.00 -  14 [ 0.01 ..  0.22]
  111-> ASP     84 HB2  - GLN     85 HN   [ 0.00  3.70]  0.00  0.00  0.16  0.00  0.07  0.00  0.00  0.18  0.00  0.00  0.00  0.14  0.00  0.00  0.10  0.00  0.00  0.00 -   5 [ 0.07 ..  0.18]
  120-> LEU     94 HB2  - ILE     95 HN   [ 0.00  3.55]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.28  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.28 ..  0.28]
  133-> TYR    102 HB2  - GLN    103 HN   [ 0.00  3.61]  0.07  0.04  0.05  0.03  0.05  0.00  0.00  0.00  0.00  0.06  0.07  0.03  0.10  0.14  0.00  0.06  0.00  0.00 -  11 [ 0.03 ..  0.14]
  141-> PRO    110 HB3  - VAL    111 HN   [ 0.00  4.35]  0.05  0.00  0.08  0.08  0.00  0.00  0.02  0.02  0.00  0.00  0.00  0.03  0.03  0.08  0.05  0.00  0.00  0.10 -  10 [ 0.02 ..  0.10]
  147-> GLN    114 HA   - GLN    115 HN   [ 0.00  2.96]  0.00  0.00  0.06  0.00  0.49  0.29  0.06  0.00  0.00  0.25  0.00  0.13  0.00  0.13  0.32  0.09  0.09  0.05 -  11 [ 0.05 ..  0.49]
  148-> GLN    114 HB2  - GLN    115 HN   [ 0.00  3.70]  0.10  0.18  0.00  0.16  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.02 -   4 [ 0.02 ..  0.18]
  149-> GLN    114 HB3  - GLN    115 HN   [ 0.00  3.70]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.56 -   1 [ 0.56 ..  0.56]
  153-> VAL    117 HB   - ALA    118 HN   [ 0.00  3.64]  0.36  0.45  0.57  0.34  0.00  0.34  0.41  0.00  0.00  0.62  0.43  0.00  0.00  0.33  0.00  0.37  0.00  0.32 -  11 [ 0.32 ..  0.62]
  154-> ALA    118 HN   - ILE    119 HN   [ 0.00  4.04]  0.12  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.15  0.18  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   3 [ 0.12 ..  0.18]
  157-> LEU     22 HN   - LEU     22 HB3  [ 0.00  3.86]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.29  0.00  0.20  0.00  0.26  0.00 -   3 [ 0.20 ..  0.29]
  158-> ASP     23 HN   - ASP     23 HB2  [ 0.00  3.70]  0.28  0.00  0.00  0.07  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.07 ..  0.28]
  161-> TRP     25 HN   - TRP     25 HB3  [ 0.00  3.58]  0.17  0.00  0.06  0.11  0.07  0.07  0.02  0.16  0.15  0.09  0.00  0.06  0.07  0.07  0.13  0.12  0.07  0.10 -  16 [ 0.02 ..  0.17]
  164-> GLU     30 HN   - GLU     30 HB3  [ 0.00  3.39]  0.00  0.00  0.17  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 [ 0.17 ..  0.17]
  170-> SER     41 HN   - SER     41 HB2  [ 0.00  3.48]  0.08  0.00  0.00  0.00  0.08  0.00  0.08  0.11  0.08  0.00  0.00  0.00  0.00  0.07  0.00  0.00  0.00  0.00 -   6 [ 0.07 ..  0.11]
  171-> SER     41 HN   - SER     41 HB3  [ 0.00  3.48]  0.00  0.09  0.08  0.08  0.00  0.07  0.00  0.00  0.00  0.09  0.08  0.08  0.09  0.00  0.08  0.08  0.10  0.10 -  12 [ 0.07 ..  0.10]
  176-> PHE     48 HN   - PHE     48 HB2  [ 0.00  3.86]  0.11  0.00  0.08  0.11  0.10  0.11  0.08  0.00  0.09  0.06  0.09  0.05  0.00  0.10  0.06  0.09  0.07  0.00 -  14 [ 0.05 ..  0.11]
  196-> GLN     70 HN   - GLN     70 HB3  [ 0.00  3.24]  0.00  0.00  0.00  0.00  0.23  0.26  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.23 ..  0.26]
  232-> VAL    111 HN   - VAL    111 HB   [ 0.00  3.08]  0.00  0.56  0.00  0.56  0.00  0.55  0.56  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   4 [ 0.55 ..  0.56]
  240-> GLN    115 HN   - GLN    115 HB3  [ 0.00  3.21]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.87  0.00  0.00  0.00  0.00  0.11  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.11 ..  0.87]
  241-> ILE    119 HN   - ILE    119 HB   [ 0.00  3.33]  0.00  0.00  0.26  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  0.06  0.00 -   2 [ 0.06 ..  0.26]
  303-> ILE     95 HN   - LYS     98 HN   [ 0.00  4.66]  0.05  0.00  0.12  0.00  0.23  0.00  0.04  0.06  0.10  0.00  0.00  0.04  0.22  0.02  0.04  0.00  0.00  0.00 -  10 [ 0.02 ..  0.23]
  306-> PRO    105 HA   - ALA    107 HN   [ 0.00  4.11]  0.04  0.04  0.00  0.10  0.00  0.05  0.00  0.08  0.00  0.05  0.07  0.09  0.00  0.09  0.00  0.06  0.13  0.09 -  13 [ 0.00 ..  0.13]
  310-> THR     24 HA   - ALA     26 HN   [ 0.00  4.66]  0.17  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.01  0.05  0.00  0.00  0.00  0.00  0.01  0.00  0.00  0.00 -   4 [ 0.01 ..  0.17]
  341-> LEU     68 HA   - ILE     71 HN   [ 0.00  3.48]  0.00  0.11  0.00  0.00  0.00  0.00  0.09  0.00  0.00  0.06  0.00  0.06  0.00  0.10  0.00  0.07  0.07  0.00 -   7 [ 0.06 ..  0.11]
  344-> ASN     56 HA   - GLN     60 HN   [ 0.00  4.17]  0.06  0.05  0.09  0.15  0.09  0.08  0.13  0.14  0.11  0.14  0.04  0.13  0.08  0.09  0.11  0.32  0.09  0.14 -  18 [ 0.04 ..  0.32]
  355-> SER    106 HN   - ALA    107 HA   [ 0.00  5.04]  0.14  0.18  0.00  0.23  0.03  0.14  0.18  0.19  0.00  0.10  0.16  0.15  0.00  0.23  0.00  0.20  0.20  0.27 -  14 [ 0.03 ..  0.27]
  372-> ILE     90 HA   - LEU     94 HN   [ 0.00  5.50]  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  0.00  0.00  0.00  0.00 -   1 [ 0.10 ..  0.10]
  384-> PRO     15 HG2  - THR     16 HN   [ 0.00  5.50]  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 -   1 [ 0.13 ..  0.13]
  385-> PRO     15 HG3  - THR     16 HN   [ 0.00  5.50]  0.00  0.07  0.00  0.00  0.00  0.00  0.00  0.13  0.00  0.00  0.20  0.00  0.03  0.00  0.00  0.00  0.00  0.00 -   4 [ 0.03 ..  0.20]
  386-> PRO     17 HD2  - PHE     18 HN   [ 0.00  5.50]  0.11  0.00  0.00  0.01  0.00  0.01  0.03  0.10  0.00  0.00  0.00  0.08  0.01  0.07  0.00  0.01  0.04  0.05 -  12 [ 0.00 ..  0.11]
  387-> PRO     17 HD3  - PHE     18 HN   [ 0.00  5.50]  0.10  0.03  0.07  0.02  0.00  0.21  0.08  0.15  0.09  0.00  0.00  0.08  0.20  0.09  0.00  0.12  0.07  0.06 -  14 [ 0.02 ..  0.21]
  397-> LYS     34 HD2  - HIS     35 HN   [ 0.00  5.50]  0.10  0.09  0.00  0.06  0.05  0.09  0.11  0.07  0.09  0.20  0.04  0.08  0.04  0.07  0.07  0.11  0.00  0.07 -  16 [ 0.04 ..  0.20]
  398-> LYS     34 HD3  - HIS     35 HN   [ 0.00  5.50]  0.00  0.00  0.23  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.10  0.00 -   2 [ 0.10 ..  0.23]
  405-> ARG     55 HD2  - ASN     56 HN   [ 0.00  5.50]  0.07  0.52  0.00  0.00  0.00  0.00  0.00  0.06  0.00  0.09  0.00  0.00  0.00  0.06  0.00  0.06  0.00  0.00 -   6 [ 0.06 ..  0.52]
  432-> LYS     96 HD2  - LEU     97 HN   [ 0.00  5.50]  0.05  0.00  0.06  0.01  0.09  0.05  0.08  0.02  0.03  0.04  0.04  0.02  0.04  0.04  0.00  0.07  0.12  0.07 -  16 [ 0.01 ..  0.12]
  445-> PRO    116 HG2  - VAL    117 HN   [ 0.00  5.50]  0.01  0.00  0.00  0.00  0.00  0.00  0.01  0.00  0.00  0.00  0.00  0.18  0.04  0.00  0.00  0.00  0.28  0.00 -   6 [ 0.00 ..  0.28]
  446-> PRO    116 HG3  - VAL    117 HN   [ 0.00  5.50]  0.00  0.00  0.19  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 -   2 [ 0.00 ..  0.19]
  469-> GLN     70 HN   - GLN     70 HG2  [ 0.00  4.32]  0.47  0.46  0.48  0.48  0.00  0.00  0.45  0.47  0.47  0.47  0.48  0.46  0.48  0.50  0.48  0.47  0.47  0.47 -  16 [ 0.45 ..  0.50]
  471-> LEU     74 HN   - LEU     74 HG   [ 0.00  3.76]  0.00  0.38  0.00  0.00  0.00  0.20  0.31  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.39  0.00 -   4 [ 0.20 ..  0.39]
  484-> LEU     94 HN   - LEU     94 HG   [ 0.00  4.32]  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  0.01  0.00  0.00  0.00  0.00 -   2 [ 0.01 ..  0.11]
  490-> LEU    108 HN   - LEU    108 HG   [ 0.00  4.26]  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  0.20  0.00  0.19 -   3 [ 0.19 ..  0.20]
  514-> TRP     72 HE1  - GLY     81 HA3  [ 0.00  5.50]  0.00  0.00  0.00  0.00  0.01  0.00  0.00  0.00  0.05  0.00  0.00  0.00  0.24  0.00  0.00  0.00  0.00  0.00 -   3 [ 0.01 ..  0.24]
  516-> VAL    111 HN   - LYS    113 HG2  [ 0.00  5.50]  0.00  0.00  0.00  0.77  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 [ 0.77 ..  0.77]
  520-> VAL    111 HN   - LYS    113 HG3  [ 0.00  5.50]  0.00  0.11  0.00  0.00  0.03  0.03  0.04  0.01  0.05  0.03  0.01  0.01  0.00  0.01  0.04  0.08  0.00  0.00 -  12 [ 0.01 ..  0.11]
  523-> LEU     94 HG   - LEU     97 HN   [ 0.00  5.50]  0.30  0.10  0.27  0.11  0.28  0.14  0.05  0.09  0.08  0.02  0.07  0.24  0.12  0.11  0.18  0.23  0.15  0.10 -  18 [ 0.02 ..  0.30]
  590-> ASP     76 HN   - ILE     90 HG2* [ 0.00  6.52]  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  1.01  0.00  0.00  0.00 -   1 [ 1.01 ..  1.01]
  605-> PHE     59 HN   - ILE     95 HG2* [ 0.00  6.52]  0.00  0.00  0.06  0.00  0.00  0.00  0.00  0.02  0.10  0.00  0.00  0.08  0.00  0.00  0.00  0.05  0.00  0.17 -   6 [ 0.02 ..  0.17]
  609-> GLU     87 HN   - ILE     90 HG2* [ 0.00  6.52]  0.00  0.00  0.00  0.00  0.04  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.13  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.04 ..  0.13]
  611-> ASP     23 HN   - ASP     23 HB3  [ 0.00  3.70]  0.00  0.00  0.25  0.00  0.00  0.00  0.03  0.25  0.17  0.00  0.21  0.13  0.00  0.00  0.20  0.00  0.00  0.20 -   8 [ 0.03 ..  0.25]
  629-> VAL     29 HB   - GLU     30 HN   [ 0.00  3.86]  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  0.00  0.00  0.03  0.00 -   2 [ 0.03 ..  0.10]
  697-> GLU     87 HA   - ILE     90 HB   [ 0.00  4.51]  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  0.25  0.00  0.00  0.00 -   1 [ 0.25 ..  0.25]
  705-> GLN     37 HA   - HIS     40 HB3  [ 0.00  4.01]  0.07  0.05  0.37  0.06  0.08  0.05  0.04  0.07  0.05  0.12  0.09  0.05  0.00  0.03  0.08  0.00  0.13  0.00 -  15 [ 0.03 ..  0.37]
  708-> GLU     30 HA   - ALA     33 HA   [ 0.00  5.50]  0.00  0.11  0.00  0.02  0.03  0.04  0.00  0.06  0.10  0.00  0.00  0.10  0.00  0.07  0.09  0.02  0.01  0.07 -  13 [ 0.00 ..  0.11]
  711-> GLN     85 HA   - SER     89 HA   [ 0.00  5.50]  0.15  0.35  0.28  0.21  0.23  0.42  0.12  0.14  0.11  0.19  0.35  0.42  0.15  0.12  0.20  0.17  0.15  0.22 -  18 [ 0.11 ..  0.42]
  830-> GLY     51 HA2  - TRP     72 HH2  [ 0.00  5.50]  0.07  0.01  0.04  0.10  0.00  0.02  0.04  0.06  0.08  0.05  0.08  0.00  0.08  0.02  0.05  0.03  0.00  0.02 -  15 [ 0.01 ..  0.10]
  832-> TRP     72 HE3  - ALA     73 HA   [ 0.00  5.19]  0.67  0.63  0.69  0.87  0.73  0.56  0.67  0.58  0.42  0.87  0.65  0.60  0.58  0.64  0.44  0.80  0.52  0.37 -  18 [ 0.37 ..  0.87]
  834-> MET     83 HB2  - PHE     88 HN   [ 0.00  5.50]  0.00  0.07  0.02  0.10  0.04  0.04  0.00  0.00  0.12  0.06  0.05  0.08  0.00  0.00  0.06  0.00  0.10  0.00 -  11 [ 0.02 ..  0.12]
  841-> THR     16 HB   - PRO     17 HD3  [ 0.00  4.69]  0.00  0.00  0.16  0.29  0.20  0.00  0.25  0.07  0.26  0.00  0.00  0.27  0.08  0.28  0.00  0.00  0.29  0.28 -  11 [ 0.07 ..  0.29]
  842-> THR     16 HB   - PRO     17 HD2  [ 0.00  4.69]  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  0.00  0.00 -   1 [ 0.12 ..  0.12]
  846-> ILE     27 HG13 - GLU     31 HB2  [ 0.00  5.50]  0.01  0.07  0.02  0.00  0.00  0.03  0.00  0.06  0.10  0.00  0.05  0.04  0.00  0.13  0.10  0.00  0.00  0.05 -  12 [ 0.00 ..  0.13]
  875-> LEU     94 HG   - ILE     95 HA   [ 0.00  5.50]  0.28  0.23  0.47  0.40  1.03  0.20  0.34  0.37  0.51  0.00  0.52  0.46  0.38  0.38  1.10  0.36  0.30  0.31 -  17 [ 0.20 ..  1.10]
  896-> LYS    113 HN   - GLN    114 HG3  [ 0.00  5.50]  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 -   1 [ 0.10 ..  0.10]
  903-> VAL     67 HA   - LYS     98 HD2  [ 0.00  5.50]  0.00  0.28  0.00  0.13  0.00  0.00  0.00  0.59  0.43  0.00  0.00  0.00  0.09  0.00  0.00  0.00  0.00  0.43 -   6 [ 0.09 ..  0.59]
  904-> VAL     67 HA   - LYS     98 HD3  [ 0.00  5.50]  0.00  0.01  0.00  0.00  0.00  0.15  0.00  0.00  0.00  0.06  0.29  0.16  0.00  0.00  0.00  0.70  0.00  0.00 -   6 [ 0.01 ..  0.70]
  909-> ILE     71 HG13 - LEU     94 HB2  [ 0.00  5.50]  0.06  0.10  0.05  0.22  0.03  0.04  0.00  0.07  0.00  0.66  0.07  0.08  0.07  0.14  0.00  0.08  0.07  0.01 -  16 [ 0.00 ..  0.66]
  923-> THR     28 HB   - GLU     31 HB3  [ 0.00  5.50]  0.69  0.57  0.76  0.00  0.80  0.70  0.69  0.59  0.55  0.00  0.62  0.49  0.12  0.59  0.69  0.00  1.01  0.55 -  15 [ 0.12 ..  1.01]
  925-> THR     28 HB   - GLU     31 HG2  [ 0.00  5.50]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.13  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.13 ..  0.13]
  928-> SER     41 HA   - PRO     44 HD2  [ 0.00  5.50]  0.00  0.01  0.02  0.11  0.16  0.18  0.18  0.00  0.13  0.00  0.02  0.00  0.02  0.11  0.00  0.11  0.06  0.00 -  13 [ 0.00 ..  0.18]
  929-> SER     41 HA   - PRO     44 HD3  [ 0.00  5.50]  0.00  0.00  0.10  0.00  0.00  0.00  0.00  0.16  0.00  0.07  0.12  0.02  0.11  0.00  0.07  0.00  0.01  0.10 -   9 [ 0.01 ..  0.16]
  930-> LEU     74 HG   - PRO    105 HA   [ 0.00  5.50]  0.40  0.13  1.05  0.13  1.19  0.35  0.02  0.09  0.94  0.76  0.15  0.10  0.58  0.12  0.42  0.52  0.13  0.08 -  18 [ 0.02 ..  1.19]
  936-> PHE     39 HZ   - GLN     85 HN   [ 0.00  5.50]  0.00  0.00  0.12  0.09  0.07  0.02  0.06  0.21  0.04  0.01  0.15  0.00  0.08  0.09  0.00  0.00  0.13  0.10 -  13 [ 0.01 ..  0.21]
 1068-> LEU     42 HD1* - ILE     49 HG13 [ 0.00  5.65]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.16  0.00  0.00  0.00  0.00  0.40  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.16 ..  0.40]
 1125-> ALA     54 HB*  - TRP     72 HZ3  [ 0.00  6.43]  0.07  0.06  0.10  0.00  0.15  0.04  0.00  0.03  0.00  0.11  0.00  0.06  0.04  0.08  0.03  0.04  0.07  0.06 -  14 [ 0.03 ..  0.15]
 1126-> TRP     72 HZ3  - ALA     73 HB*  [ 0.00  6.52]  0.05  0.02  0.11  0.19  0.13  0.01  0.00  0.02  0.00  0.13  0.02  0.01  0.01  0.02  0.04  0.01  0.00  0.00 -  15 [ 0.00 ..  0.19]
 1133-> LEU     74 HD2* - ALA    107 HA   [ 0.00  4.72]  0.00  0.21  0.00  0.09  0.00  0.04  0.14  0.02  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.14  0.00 -   7 [ 0.00 ..  0.21]
 1159-> PHE     88 HA   - ILE     90 HG2* [ 0.00  5.37]  0.13  0.00  0.24  0.00  0.18  0.00  0.23  0.21  0.16  0.00  0.29  0.34  0.18  0.22  0.59  0.39  0.13  0.28 -  14 [ 0.13 ..  0.59]
 1174-> PHE     57 HB3  - ILE     95 HG2* [ 0.00  6.52]  0.00  0.13  0.00  0.03  0.00  0.00  0.00  0.02  0.03  0.03  0.08  0.00  0.15  0.08  0.06  0.00  0.00  0.05 -  10 [ 0.02 ..  0.15]
 1187-> LEU     63 HD2* - LYS     98 HE2  [ 0.00  5.90]  0.00  0.00  0.00  0.00  0.00  0.12  0.00  0.00  0.00  0.09  0.06  0.10  0.00  0.00  0.00  0.00  0.00  0.00 -   4 [ 0.06 ..  0.12]
 1204-> ILE     90 HD1* - LYS    113 HD2  [ 0.00  6.52]  0.04  0.00  0.06  0.00  0.11  0.00  0.00  0.00  0.03  0.00  0.03  0.05  0.01  0.00  0.05  0.06  0.02  0.00 -  10 [ 0.01 ..  0.11]
 1250-> LEU     97 HD1* - GLN    100 HB3  [ 0.00  6.52]  0.02  0.00  0.07  0.00  0.09  0.00  0.11  0.05  0.03  0.00  0.05  0.00  0.06  0.07  0.00  0.06  0.00  0.00 -  11 [ 0.00 ..  0.11]
 1276-> GLU     31 HB2  - MET    112 HE*  [ 0.00  6.52]  0.13  0.11  0.09  0.07  0.06  0.12  0.14  0.15  0.08  0.12  0.11  0.24  0.08  0.07  0.05  0.05  0.06  0.10 -  18 [ 0.05 ..  0.24]
 1306-> ASP     23 HB*  - ALA     26 HN   [ 0.00  5.02]  0.00  0.00  0.00  0.60  0.00  0.07  0.09  0.00  0.00  0.00  0.00  0.05  0.00  0.00  0.00  0.00  0.00  0.00 -   4 [ 0.05 ..  0.60]
 1311-> ILE     27 HN   - GLU     31 HG*  [ 0.00  6.38]  0.00  0.00  0.00  0.31  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.38  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.31 ..  0.38]
 1381-> THR     50 HA   - GLN     85 HE2* [ 0.00  6.36]  0.69  0.13  0.07  0.24  0.33  0.10  0.11  0.11  0.06  0.11  0.07  0.08  0.10  0.31  0.06  0.14  0.12  0.20 -  18 [ 0.06 ..  0.69]
 1411-> GLN     60 HE2* - SER     61 HN   [ 0.00  6.36]  0.05  0.05  0.07  0.06  0.04  0.00  0.06  0.07  0.11  0.04  0.07  0.05  0.06  0.06  0.00  0.05  0.06  0.05 -  16 [ 0.04 ..  0.11]
 1459-> VAL     67 HN   - GLN     70 HG*  [ 0.00  6.38]  0.06  0.05  0.11  0.06  0.00  0.00  0.03  0.07  0.10  0.02  0.08  0.02  0.08  0.03  0.06  0.07  0.05  0.10 -  16 [ 0.02 ..  0.11]
 1476-> GLN     70 HG*  - LEU     74 HG   [ 0.00  6.38]  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 -   1 [ 0.11 ..  0.11]
 1478-> GLN     70 HE2* - ALA     73 HN   [ 0.00  6.36]  0.00  0.00  0.00  0.00  0.00  0.00  0.14  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.14 ..  0.14]
 1497-> LEU     74 HN   - SER    106 HB*  [ 0.00  6.38]  0.00  0.00  0.10  0.00  0.05  0.00  0.01  0.00  0.13  0.00  0.00  0.00  0.07  0.00  0.07  0.00  0.00  0.00 -   6 [ 0.01 ..  0.13]
 1505-> MET     77 HN   - ASN     79 HB*  [ 0.00  6.38]  0.00  0.00  0.00  0.11  0.00  0.00  0.00  0.06  0.00  0.05  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   3 [ 0.05 ..  0.11]
 1513-> ASN     79 HA   - GLU     87 HG*  [ 0.00  6.38]  0.07  0.09  0.07  0.00  0.00  0.00  0.13  0.07  0.11  0.09  0.12  0.12  0.00  0.18  0.00  0.07  0.03  0.11 -  13 [ 0.03 ..  0.18]
 1514-> ASN     79 HD2* - MET     83 HN   [ 0.00  6.36]  0.08  0.04  0.05  0.02  0.10  0.08  0.01  0.06  0.04  0.00  0.07  0.05  0.10  0.03  0.06  0.02  0.03  0.02 -  17 [ 0.01 ..  0.10]
 1584-> VAL    111 HA   - LYS    113 HD*  [ 0.00  6.38]  0.33  0.00  0.34  0.09  0.35  0.14  0.00  0.33  0.25  0.25  0.34  0.33  0.13  0.18  0.26  0.21  0.21  0.24 -  16 [ 0.09 ..  0.35]
   -------------------------------------------  
       Number of Violations greater than 0.10              24    23    31    26    23    24    23    26    24    24    21    22    26    24    18    21    26    26
   -------------------------------------------  

        ----  Summary Of Residual Distance Constraint Violations ---- 
                      Mod  1 Mod  2 Mod  3 Mod  4 Mod  5 Mod  6 Mod  7 Mod  8 Mod  9 Mod 10 Mod 11 Mod 12 Mod 13 Mod 14 Mod 15 Mod 16 Mod 17 Mod 18       Averages   
                      ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~     ~~~~~~~~~~~  
      0.1 - 0.2  ang:     13     12     17     13     11     14     14     16     16     15     10     12     16     13      7      8     16     14        13.17
      0.2 - 0.5  ang:      8      7     10      9      8      7      6      6      5      5      8      9      8      9      7     10      8     10         7.78
        > 0.5    ang:      3      4      4      4      4      3      3      4      3      4      3      1      2      2      4      3      2      2         3.06
        Total       :     70     71     80     74     75     72     84     80     69     73     67     79     80     72     73     75     71     73        74.33
 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
 Maximum Violation  :  0.691  0.629  1.047  0.871  1.185  0.704  0.691  0.868  0.942  0.872  0.652  0.598  0.584  0.642  1.102  0.801  1.012  0.555        1.185
    Max  Intra Viol :  0.471  0.557  0.480  0.561  0.234  0.550  0.558  0.868  0.473  0.470  0.485  0.457  0.483  0.495  0.478  0.472  0.466  0.471        0.868
    Max  Seque Viol :  0.674  0.629  0.686  0.871  1.030  0.556  0.667  0.575  0.509  0.872  0.652  0.598  0.580  0.642  1.102  0.801  0.524  0.555        1.102
    Max Medium Viol :  0.691  0.571  0.764  0.772  0.796  0.704  0.691  0.585  0.546  0.246  0.620  0.493  0.385  0.587  0.689  0.394  1.012  0.551        1.012
    Max   Long Viol :  0.685  0.281  1.047  0.241  1.185  0.354  0.139  0.595  0.942  0.764  0.290  0.239  0.584  0.306  1.011  0.703  0.138  0.427        1.185
 Average Violation  :  0.005  0.005  0.007  0.006  0.006  0.005  0.005  0.006  0.005  0.005  0.005  0.005  0.006  0.005  0.006  0.005  0.005  0.005      0.00545
    Avge Intra Viol :  0.004  0.005  0.005  0.005  0.002  0.004  0.005  0.006  0.003  0.003  0.004  0.003  0.004  0.003  0.004  0.003  0.005  0.004      0.00399
    Avge Seque Viol :  0.005  0.004  0.006  0.006  0.006  0.005  0.004  0.005  0.004  0.003  0.005  0.006  0.005  0.004  0.006  0.005  0.005  0.005      0.00498
    Avge Mediu Viol :  0.008  0.008  0.010  0.009  0.009  0.006  0.007  0.007  0.005  0.009  0.007  0.007  0.006  0.009  0.007  0.008  0.007  0.007      0.00763
    Avge  Long Viol :  0.005  0.004  0.006  0.004  0.007  0.004  0.003  0.005  0.007  0.007  0.005  0.004  0.006  0.003  0.006  0.006  0.003  0.004      0.00489
 RMS     Violation  :  0.041  0.040  0.050  0.045  0.054  0.036  0.038  0.042  0.040  0.044  0.038  0.035  0.038  0.037  0.052  0.041  0.039  0.036      0.04190
   RMS   Intra      :  0.032  0.044  0.035  0.041  0.016  0.035  0.043  0.056  0.030  0.028  0.032  0.027  0.032  0.028  0.031  0.029  0.036  0.031      0.03461
   RMS   Sequential :  0.040  0.033  0.047  0.049  0.046  0.040  0.037  0.035  0.031  0.019  0.039  0.040  0.029  0.033  0.047  0.030  0.049  0.034      0.03846
   RMS Medium range :  0.046  0.051  0.056  0.056  0.069  0.040  0.047  0.041  0.038  0.060  0.050  0.044  0.045  0.053  0.061  0.052  0.041  0.045      0.05043
   RMS  Long range  :  0.045  0.026  0.059  0.024  0.069  0.025  0.017  0.038  0.059  0.057  0.025  0.022  0.044  0.024  0.061  0.049  0.017  0.030      0.04185


 Final --global-- Summary for 18 models, 1604 NOEs/model, 28872 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 
     Summ of viol :    157.216
    Summ sq. viol :     50.682
     Maximum viol :      1.185
     Average viol :    0.00545
        RMSD viol :    0.04190
   Std. Dev. viol :    0.04154
      RMS   Intra :    0.03461 
      RMS   Seque :    0.03846 
      RMS   Medi  :    0.05043 
      RMS   Long  :    0.04185

table of dihedral angle constraints violations

  119-> [ASP  A  23] PHI     45.0  -55.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    4.4    0.0    0.0    0.0    0.0    0.0    0.0 -   1 [   0.0 ..    4.4] 
  122-> [ASP  A  23] PSI    -15.0  155.0   19.5    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 [   0.0 ..   19.5] 
  162-> [HIS  A  35] CHI1   155.0   85.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    5.9    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0 -   1 [   0.0 ..    5.9] 
  194-> [SER  A  46] PSI    -85.0 -155.0    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    0.0    0.0    0.0    0.0    0.0 -   1 [   0.0 ..    4.7] 
  232-> [PHE  A  58] CHI2    25.0  -25.0    0.0   11.2    0.0    0.0   10.0    0.0   12.2    0.0    0.0   15.4    0.0    0.0    0.0   17.3    0.0    0.0    0.0    0.0 -   5 [   0.0 ..   17.3] 
  247-> [LEU  A  63] PSI    145.0   85.0    0.0    9.4    0.0    0.0    4.9    0.0    1.2    0.0    0.0    4.3    0.0    0.0    0.0    2.2    0.0    0.0    0.0    0.0 -   5 [   0.0 ..    9.4] 
  260-> [GLN  A  70] CHI1   155.0  -95.0    0.0    0.0    0.0    0.0    4.0   10.6    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 ..   10.6] 
  261-> [GLN  A  70] CHI1  -175.0  175.0    2.1    0.0    0.8    0.0    0.0    0.0    4.7    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    1.2    0.0    0.0 -   4 [   0.0 ..    4.7] 
  269-> [LEU  A  74] CHI2    55.0  -55.0    0.0    7.7    0.0    0.0    0.0    0.0   11.6    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0   13.2    0.0 -   3 [   0.0 ..   13.2] 
  281-> [ASN  A  79] PHI     45.0  -45.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0   16.0    0.0    0.0    0.0    0.0    0.0 -   1 [   0.0 ..   16.0] 
  285-> [ASN  A  79] CHI2  -145.0  145.0    4.9    0.0    4.3    0.0    2.9    5.3    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0 -   4 [   0.0 ..    5.3] 
  300-> [MET  A  83] PHI     45.0  -45.0    0.0    0.0    0.0    1.5    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 ..    1.5] 
  380-> [LEU  A 104] PSI    145.0   85.0   20.7    0.0    0.9    0.0   27.4    0.0    9.9   28.1    0.0    7.5   27.1   30.0    5.8    0.0   13.9    0.0    0.0    0.6 -  12 [   0.0 ..   30.0] 
  396-> [LEU  A 108] PSI    145.0   85.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    7.0   12.4    0.0    0.0    0.0    0.0   12.8    0.9   14.9 -   5 [   0.0 ..   14.9] 

    ----  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        Averages  
                      ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~      ~~~~~~~~~~~ 
 1 - 10.  degrees   :      3      2      1      1      4      1      3      0      0      4      0      1      1      1      0      1      0      0          1.28
   > 10.  degrees   :      2      1      0      0      1      1      2      1      0      1      2      1      1      1      1      1      1      1          1.00
        Total       :      5      4      4      1      5      2      5      2      1      5      2      3      3      3      1      3      4      3          3.11
 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          0.00
 Maximum Violation  :   20.7   11.2    4.3    1.5   27.4   10.6   12.2   28.1    0.0   15.4   27.1   30.0   16.0   17.3   13.9   12.8   13.2   14.9         29.96
     Max   PHI Viol :    0.0    0.0    0.1    1.5    0.0    0.0    0.0    0.0    0.0    0.0    0.0    4.4   16.0    0.6    0.0    0.0    0.0    0.0         16.01
     Max   PSI Viol :   20.7    9.4    0.9    0.0   27.4    0.0    9.9   28.1    0.0    7.5   27.1   30.0    5.8    2.2   13.9   12.8    0.9   14.9         29.96
     Max  CHI1 Viol :    2.1    0.0    0.8    0.0    4.0   10.6    4.7    0.0    0.0    5.9    0.0    0.0    0.0    0.0    0.0    1.2    0.0    0.0         10.58
     Max  CHI2 Viol :    4.9   11.2    4.3    0.0   10.0    5.3   12.2    0.0    0.0   15.4    0.0    0.0    0.0   17.3    0.0    0.0   13.2    0.0         17.33
 Average Violation  :    0.1    0.1    0.0    0.0    0.1    0.0    0.1    0.1    0.0    0.1    0.1    0.1    0.1    0.1    0.0    0.0    0.0    0.0         0.060
     Avge  PHI Viol :  0.000  0.016  0.034  0.114  0.000  0.000  0.000  0.000  0.012  0.000  0.000  0.201  0.377  0.074  0.000  0.000  0.013  0.018         0.106
     Avge  PSI Viol :  0.671  0.307  0.095  0.000  0.569  0.000  0.333  0.530  0.000  0.434  0.629  0.547  0.240  0.147  0.373  0.358  0.099  0.394         0.385
     Avge CHI1 Viol :  0.135  0.000  0.086  0.000  0.188  0.306  0.204  0.000  0.000  0.229  0.000  0.000  0.000  0.000  0.000  0.104  0.000  0.000         0.120
     Avge CHI2 Viol :  0.284  0.557  0.265  0.000  0.460  0.294  0.624  0.000  0.000  0.503  0.000  0.000  0.000  0.533  0.000  0.000  0.464  0.000         0.325
 RMS     Violation  :  1.469  0.827  0.223  0.073  1.503  0.592  1.006  1.405  0.001  0.997  1.493  1.516  0.852  0.875  0.696  0.643  0.660  0.746         0.983
      RMS  PHI Viol :  0.000  0.003  0.013  0.138  0.000  0.000  0.000  0.000  0.002  0.000  0.000  0.414  1.506  0.058  0.000  0.000  0.002  0.003         0.370
      RMS  PSI Viol :  2.886  0.940  0.091  0.000  2.787  0.000  0.996  2.807  0.000  1.113  2.982  2.996  0.578  0.216  1.390  1.279  0.093  1.490         1.686
      RMS CHI1 Viol :  0.193  0.000  0.078  0.000  0.374  0.996  0.440  0.000  0.000  0.559  0.000  0.000  0.000  0.000  0.000  0.115  0.000  0.000         0.307
      RMS CHI2 Viol :  0.632  1.741  0.547  0.000  1.334  0.676  2.154  0.000  0.000  1.974  0.000  0.000  0.000  2.219  0.000  0.000  1.685  0.000         1.112


 Final --global-- Summary for 18 models, 399 ACOs/model, 7182 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 
      Summ. Viol. :     434.49
  Summ. Sq. Viol. :    6942.28
      Max.  Viol. :     29.964
      Avg.  Viol. :    0.06050
      RMS   Viol. :    0.98317
  Std. Dev. Viol. :    0.98131

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           0.504   0.923   0.542   0.350                                
   GLY  A   2   0.287   0.329                                                        
   HIS  A   3   0.456   0.611   0.621   0.721                                        
   HIS  A   4   0.640   0.568   0.504   0.485                                        
   HIS  A   5   0.804   0.683   0.710   0.420                                        
   HIS  A   6   0.553   0.514   0.356   0.099                                        
   HIS  A   7   0.717   0.757   0.382   0.646                                        
   HIS  A   8   0.460   0.606   0.525   0.505                                        
   SER  A   9   0.813   0.709   0.619                                                
   HIS  A  10   0.881   0.689   0.594   0.700                                        
   MET  A  11   0.595   0.679   0.479   0.260   0.263                                
   ALA  A  12   0.637   0.489                                                        
   GLN  A  13   0.784   0.581   0.549   0.442   0.763                                
   PHE  A  14   0.846   0.833   0.513   0.976                                       14 
   PRO  A  15   0.991   0.911   0.944   0.905                              15       15 
   THR  A  16   0.863   0.802   0.534                                               16 
   PRO  A  17   0.991   0.763   0.928   0.887                                        
   PHE  A  18   0.469   0.628   0.566   0.228                                        
   GLY  A  19   0.302   0.149                                                        
   GLY  A  20   0.391   0.316                                                        
   SER  A  21   0.784   0.487   0.282                                                
   LEU  A  22   0.531   0.368   0.922   0.928                                        
   ASP  A  23   0.218   0.731   0.514   0.867                                        
   THR  A  24   0.948   0.997   0.999                                      24       24 
   TRP  A  25   0.980   0.965   0.989   0.937                              25       25 
   ALA  A  26   0.940   0.991                                              26       26 
   ILE  A  27   0.991   0.995   1.000   0.999                              27       27 
   THR  A  28   0.994   0.989   0.680                                      28       28 
   VAL  A  29   0.999   0.998   0.876                                      29       29 
   GLU  A  30   1.000   1.000   0.932   1.000   0.954                      30       30 
   GLU  A  31   1.000   1.000   0.996   0.843   0.859                      31       31 
   ARG  A  32   0.999   0.998   0.998   0.897   0.443   0.786   1.000      32       32 
   ALA  A  33   1.000   0.998                                              33       33 
   LYS  A  34   1.000   0.999   0.999   0.843   0.998   1.000              34       34 
   HIS  A  35   0.999   0.997   0.542   0.576                              35       35 
   ASP  A  36   1.000   0.999   0.824   0.898                              36       36 
   GLN  A  37   0.999   0.997   0.798   0.924   0.980                      37       37 
   GLN  A  38   1.000   1.000   0.999   0.626   0.890                      38       38 
   PHE  A  39   1.000   1.000   0.990   0.457                              39       39 
   HIS  A  40   1.000   1.000   0.865   0.893                              40       40 
   SER  A  41   1.000   0.999   0.482                                      41       41 
   LEU  A  42   0.997   0.997   0.711   0.836                              42       42 
   LYS  A  43   1.000   1.000   1.000   1.000   1.000   1.000              43       43 
   PRO  A  44   0.990   0.997   0.915   0.845                              44       44 
   ILE  A  45   0.991   0.477   0.999   1.000                                        
   SER  A  46   0.469   0.618   0.341                                                
   GLY  A  47   0.562   0.985                                                        
   PHE  A  48   0.989   0.996   0.677   0.888                              48       48 
   ILE  A  49   0.997   0.997   1.000   0.769                              49       49 
   THR  A  50   0.973   0.993   0.999                                      50       50 
   GLY  A  51   1.000   0.999                                              51       51 
   ASP  A  52   1.000   1.000   0.877   0.928                              52       52 
   GLN  A  53   1.000   1.000   0.998   0.479   0.671                      53       53 
   ALA  A  54   1.000   1.000                                              54       54 
   ARG  A  55   0.999   0.999   0.603   0.993   0.928   0.855   1.000      55       55 
   ASN  A  56   1.000   0.999   1.000   1.000                              56       56 
   PHE  A  57   1.000   1.000   1.000   0.999                              57       57 
   PHE  A  58   0.980   0.984   0.722   0.727                              58       58 
   PHE  A  59   1.000   1.000   0.999   1.000                              59       59 
   GLN  A  60   1.000   0.998   0.999   0.838   0.943                      60       60 
   SER  A  61   0.999   0.999   0.634                                      61       61 
   GLY  A  62   0.990   0.986                                              62       62 
   LEU  A  63   0.982   0.996   1.000   0.999                              63       63 
   PRO  A  64   0.988   0.997   0.899   0.820                              64       64 
   GLN  A  65   0.999   0.999   1.000   1.000   1.000                      65       65 
   PRO  A  66   0.994   0.995   0.907   0.812                              66       66 
   VAL  A  67   0.997   0.997   1.000                                      67       67 
   LEU  A  68   1.000   0.999   0.999   0.999                              68       68 
   ALA  A  69   1.000   1.000                                              69       69 
   GLN  A  70   1.000   1.000   0.903   0.824   0.897                      70       70 
   ILE  A  71   1.000   1.000   1.000   1.000                              71       71 
   TRP  A  72   1.000   1.000   0.997   0.998                              72       72 
   ALA  A  73   1.000   0.999                                              73       73 
   LEU  A  74   0.995   0.996   0.996   0.714                              74       74 
   ALA  A  75   0.999   0.992                                              75       75 
   ASP  A  76   0.998   0.994   0.959   0.962                              76       76 
   MET  A  77   1.000   1.000   1.000   0.996   0.728                      77       77 
   ASN  A  78   0.997   0.997   0.905   0.961                              78       78 
   ASN  A  79   0.997   0.996   0.813   0.833                              79       79 
   ASP  A  80   0.991   0.982   0.558   0.962                              80       80 
   GLY  A  81   0.988   0.969                                              81       81 
   ARG  A  82   0.986   0.887   0.907   0.709   0.604   0.557   1.000               82 
   MET  A  83   0.878   0.870   0.634   0.993   0.530                               83 
   ASP  A  84   0.934   0.997   0.329   0.885                              84       84 
   GLN  A  85   0.999   1.000   0.999   0.998   0.984                      85       85 
   VAL  A  86   0.999   1.000   1.000                                      86       86 
   GLU  A  87   1.000   0.998   0.999   0.880   0.931                      87       87 
   PHE  A  88   1.000   0.998   0.945   0.872                              88       88 
   SER  A  89   1.000   0.995   0.450                                      89       89 
   ILE  A  90   0.995   0.984   0.701   0.999                              90       90 
   ALA  A  91   0.994   0.995                                              91       91 
   MET  A  92   0.995   0.992   0.761   0.456   0.159                      92       92 
   LYS  A  93   0.994   0.993   0.939   0.646   0.919   0.708              93       93 
   LEU  A  94   1.000   0.998   0.938   0.849                              94       94 
   ILE  A  95   1.000   1.000   0.999   0.917                              95       95 
   LYS  A  96   1.000   1.000   0.999   0.999   0.998   0.993              96       96 
   LEU  A  97   0.994   0.996   0.999   0.999                              97       97 
   LYS  A  98   1.000   0.999   0.685   0.227   0.205   0.620              98       98 
   LEU  A  99   1.000   0.999   0.999   0.999                              99       99 
   GLN  A 100   1.000   0.999   0.996   0.847   0.552                     100      100 
   GLY  A 101   0.994   0.996                                             101      101 
   TYR  A 102   0.995   0.993   0.999   0.993                             102      102 
   GLN  A 103   0.928   0.658   0.556   0.921   0.940                                
   LEU  A 104   0.637   0.939   0.409   0.633                                        
   PRO  A 105   0.991   0.989   0.923   0.863                             105      105 
   SER  A 106   0.953   0.990   0.576                                     106      106 
   ALA  A 107   0.908   0.958                                             107      107 
   LEU  A 108   0.982   0.990   0.788   0.810                             108      108 
   PRO  A 109   0.993   1.000   0.907   0.832                             109      109 
   PRO  A 110   0.994   0.996   0.963   0.932                             110      110 
   VAL  A 111   0.996   0.995   0.443                                     111      111 
   MET  A 112   0.996   0.999   0.854   0.397   0.316                     112      112 
   LYS  A 113   0.998   0.998   0.906   0.990   0.849   0.998             113      113 
   GLN  A 114   0.897   0.691   0.998   0.921   0.787                                
   GLN  A 115   0.543   0.801   0.776   0.921   0.878                                
   PRO  A 116   0.986   0.915   0.899   0.822                             116      116 
   VAL  A 117   0.934   0.973   0.540                                     117      117 
   ALA  A 118   0.517   0.557                                                        
   ILE  A 119   0.819   0.545   0.922   0.821                                        
   SER  A 120   0.810   0.399   0.594                                                
   SER  A 121   0.724           1.000

JPEG image of S(phi)~Residue_number Plot

JPEG image of S(psi)~Residue_number Plot

Table of Backbone and Heavy Atom RMSD

Text report of backbone and heavy atom RMSD for ordered regions

 > 
 > Kabsch RMSD data for family `HR3646E_R3Cons_em_bcr3.pdb' 
 > 
 > Kabsch RMSD of backbone atoms in res. A[24..44],A[48..81],A[84..102],A[105..113],A[116..117],for model  1 is: 0.791
 > Kabsch RMSD of backbone atoms in res. A[24..44],A[48..81],A[84..102],A[105..113],A[116..117],for model  2 is: 1.304
 > Kabsch RMSD of backbone atoms in res. A[24..44],A[48..81],A[84..102],A[105..113],A[116..117],for model  3 is: 0.890
 > Kabsch RMSD of backbone atoms in res. A[24..44],A[48..81],A[84..102],A[105..113],A[116..117],for model  4 is: 1.905
 > Kabsch RMSD of backbone atoms in res. A[24..44],A[48..81],A[84..102],A[105..113],A[116..117],for model  5 is: 1.331
 > Kabsch RMSD of backbone atoms in res. A[24..44],A[48..81],A[84..102],A[105..113],A[116..117],for model  6 is: 0.924
 > Kabsch RMSD of backbone atoms in res. A[24..44],A[48..81],A[84..102],A[105..113],A[116..117],for model  7 is: 0.814
 > Kabsch RMSD of backbone atoms in res. A[24..44],A[48..81],A[84..102],A[105..113],A[116..117],for model  8 is: 1.184
 > Kabsch RMSD of backbone atoms in res. A[24..44],A[48..81],A[84..102],A[105..113],A[116..117],for model  9 is: 0.929
 > Kabsch RMSD of backbone atoms in res. A[24..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 10 is: 1.224
 > Kabsch RMSD of backbone atoms in res. A[24..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 11 is: 0.774 (*)
 > Kabsch RMSD of backbone atoms in res. A[24..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 12 is: 1.154
 > Kabsch RMSD of backbone atoms in res. A[24..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 13 is: 0.938
 > Kabsch RMSD of backbone atoms in res. A[24..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 14 is: 1.008
 > Kabsch RMSD of backbone atoms in res. A[24..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 15 is: 0.824
 > Kabsch RMSD of backbone atoms in res. A[24..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 16 is: 0.778
 > Kabsch RMSD of backbone atoms in res. A[24..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 17 is: 0.969
 > Kabsch RMSD of backbone atoms in res. A[24..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 18 is: 1.261
 >
 > Kabsch RMSD statistics for 18 structures: 
 > Mean RMSD using as refer. str. `average' for res.[24..44],[48..81],[84..102],[105..113],[116..117], is: 1.056 
 > Range of RMSD values to reference struct. is 0.774 to 1.905 


 > Kabsch RMSD of heavy atoms in res. A[24..44],A[48..81],A[84..102],A[105..113],A[116..117],for model  1 is: 1.025
 > Kabsch RMSD of heavy atoms in res. A[24..44],A[48..81],A[84..102],A[105..113],A[116..117],for model  2 is: 1.493
 > Kabsch RMSD of heavy atoms in res. A[24..44],A[48..81],A[84..102],A[105..113],A[116..117],for model  3 is: 1.156
 > Kabsch RMSD of heavy atoms in res. A[24..44],A[48..81],A[84..102],A[105..113],A[116..117],for model  4 is: 1.958
 > Kabsch RMSD of heavy atoms in res. A[24..44],A[48..81],A[84..102],A[105..113],A[116..117],for model  5 is: 1.563
 > Kabsch RMSD of heavy atoms in res. A[24..44],A[48..81],A[84..102],A[105..113],A[116..117],for model  6 is: 1.159
 > Kabsch RMSD of heavy atoms in res. A[24..44],A[48..81],A[84..102],A[105..113],A[116..117],for model  7 is: 1.017 (*)
 > Kabsch RMSD of heavy atoms in res. A[24..44],A[48..81],A[84..102],A[105..113],A[116..117],for model  8 is: 1.418
 > Kabsch RMSD of heavy atoms in res. A[24..44],A[48..81],A[84..102],A[105..113],A[116..117],for model  9 is: 1.041
 > Kabsch RMSD of heavy atoms in res. A[24..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 10 is: 1.522
 > Kabsch RMSD of heavy atoms in res. A[24..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 11 is: 1.092
 > Kabsch RMSD of heavy atoms in res. A[24..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 12 is: 1.251
 > Kabsch RMSD of heavy atoms in res. A[24..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 13 is: 1.360
 > Kabsch RMSD of heavy atoms in res. A[24..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 14 is: 1.192
 > Kabsch RMSD of heavy atoms in res. A[24..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 15 is: 1.136
 > Kabsch RMSD of heavy atoms in res. A[24..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 16 is: 1.063
 > Kabsch RMSD of heavy atoms in res. A[24..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 17 is: 1.203
 > Kabsch RMSD of heavy atoms in res. A[24..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 18 is: 1.409
 >
 > Kabsch RMSD statistics for 18 structures: 
 > Mean RMSD using as refer. str. `average' for res.[24..44],[48..81],[84..102],[105..113],[116..117], is: 1.281 
 > Range of RMSD values to reference struct. is 1.017 to 1.958

Text report of backbone RMSD for entire protein

 > Kabsch RMSD of backb atoms in res. *[1..121],for model  1 is: 5.488
 > Kabsch RMSD of backb atoms in res. *[1..121],for model  2 is: 4.940 (*)
 > Kabsch RMSD of backb atoms in res. *[1..121],for model  3 is: 7.479
 > Kabsch RMSD of backb atoms in res. *[1..121],for model  4 is: 10.424
 > Kabsch RMSD of backb atoms in res. *[1..121],for model  5 is: 6.258
 > Kabsch RMSD of backb atoms in res. *[1..121],for model  6 is: 10.255
 > Kabsch RMSD of backb atoms in res. *[1..121],for model  7 is: 13.623
 > Kabsch RMSD of backb atoms in res. *[1..121],for model  8 is: 7.983
 > Kabsch RMSD of backb atoms in res. *[1..121],for model  9 is: 15.170
 > Kabsch RMSD of backb atoms in res. *[1..121],for model 10 is: 5.056
 > Kabsch RMSD of backb atoms in res. *[1..121],for model 11 is: 7.257
 > Kabsch RMSD of backb atoms in res. *[1..121],for model 12 is: 7.327
 > Kabsch RMSD of backb atoms in res. *[1..121],for model 13 is: 6.091
 > Kabsch RMSD of backb atoms in res. *[1..121],for model 14 is: 7.408
 > Kabsch RMSD of backb atoms in res. *[1..121],for model 15 is: 9.124
 > Kabsch RMSD of backb atoms in res. *[1..121],for model 16 is: 6.454
 > Kabsch RMSD of backb atoms in res. *[1..121],for model 17 is: 5.123
 > Kabsch RMSD of backb atoms in res. *[1..121],for model 18 is: 15.111
 >
 > Kabsch RMSD statistics for 18 structures: 
 > Mean RMSD using as refer. str. `average' for res.[1..121], is: 8.365 
 > Range of RMSD values to reference struct. is 4.940 to 15.170

Text report of heavy atom RMSD for entire protein

 > Kabsch RMSD of heavy atoms in res. *[1..121],for model  1 is: 5.808
 > Kabsch RMSD of heavy atoms in res. *[1..121],for model  2 is: 5.337 (*)
 > Kabsch RMSD of heavy atoms in res. *[1..121],for model  3 is: 8.535
 > Kabsch RMSD of heavy atoms in res. *[1..121],for model  4 is: 10.928
 > Kabsch RMSD of heavy atoms in res. *[1..121],for model  5 is: 7.261
 > Kabsch RMSD of heavy atoms in res. *[1..121],for model  6 is: 9.611
 > Kabsch RMSD of heavy atoms in res. *[1..121],for model  7 is: 13.127
 > Kabsch RMSD of heavy atoms in res. *[1..121],for model  8 is: 7.728
 > Kabsch RMSD of heavy atoms in res. *[1..121],for model  9 is: 14.777
 > Kabsch RMSD of heavy atoms in res. *[1..121],for model 10 is: 5.605
 > Kabsch RMSD of heavy atoms in res. *[1..121],for model 11 is: 6.632
 > Kabsch RMSD of heavy atoms in res. *[1..121],for model 12 is: 7.732
 > Kabsch RMSD of heavy atoms in res. *[1..121],for model 13 is: 7.108
 > Kabsch RMSD of heavy atoms in res. *[1..121],for model 14 is: 8.711
 > Kabsch RMSD of heavy atoms in res. *[1..121],for model 15 is: 9.544
 > Kabsch RMSD of heavy atoms in res. *[1..121],for model 16 is: 6.009
 > Kabsch RMSD of heavy atoms in res. *[1..121],for model 17 is: 5.757
 > Kabsch RMSD of heavy atoms in res. *[1..121],for model 18 is: 14.816
 >
 > Kabsch RMSD statistics for 18 structures: 
 > Mean RMSD using as refer. str. `average' for res.[1..121], is: 8.613 
 > Range of RMSD values to reference struct. is 5.337 to 14.816

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	8.4	0.7	0.7
All heavy atoms	8.6	1.0	1.0

Contact Map (constraints list and 3D Coordinates)

JPEG image of Contact Map for Constraints

HR3646E_R3Cons_em_bcr3.upl.jpg

JPEG image of Contact Map for Coordinates

HR3646E_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  >>>----------+
 |                                                                            |
 | HR3646E_R3Cons_em_bcr3_018.rin   0.0                         1512 residues |
 |                                                                            |
+| Ramachandran plot:   92.6% core    7.4% allow    0.1% gener    0.0% disall |
 |                                                                            |
+| All Ramachandrans:    5 labelled residues (out of1512)                     |
+| Chi1-chi2 plots:      2 labelled residues (out of 990)                     |

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
24	-1.06
25	-1.08
26	-0.59
27	-0.30
28	-0.41
29	0.77
30	1.06
31	1.08
32	0.96
33	0.91
34	1.20
35	1.16
36	1.27
37	1.02
38	0.93
39	1.20
40	1.36
41	0.90
42	-0.56
43	-2.71
44	0.23
48	0.12
49	-0.74
50	-0.70
51	0.97
52	1.30
53	1.23
54	0.84
55	0.97
56	1.35
57	1.13
58	0.68
59	1.16
60	0.39
61	0.95
62	0.52
63	-0.29
64	-0.26
65	0.97
66	0.38
67	0.30
68	1.10
69	0.99
70	1.23
71	0.98
72	0.98
73	0.90
74	0.76
75	-0.01
76	-0.61
77	0.91
78	0.35
79	-0.19
80	0.18
81	0.57
82	-2.38
84	-1.01
85	1.03
86	0.68
87	1.03
88	1.12
89	1.07
90	0.21
91	0.42
92	0.75
93	0.59
94	1.07
95	1.01
96	1.06
97	0.74
98	1.10
99	0.45
100	-0.31
101	-0.73
102	-0.92
105	-1.82
106	0.19
107	-1.27
108	-0.32
109	-0.17
110	-0.13
111	0.08
112	0.39
113	-0.15
#Reported_Model_Average	0.363
#Overall_Average_Reported	0.363

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
24	-0.18
25	-0.22
26	-0.59
27	0.28
28	-0.16
29	0.66
30	0.95
31	0.76
32	0.67
33	0.91
34	0.94
35	0.54
36	1.08
37	1.01
38	0.79
39	0.75
40	0.81
41	0.67
42	-0.14
43	-0.77
44	0.23
48	-0.05
49	-0.97
50	-0.14
51	0.97
52	1.14
53	0.87
54	0.84
55	0.80
56	1.25
57	0.50
58	-0.44
59	0.99
60	0.68
61	0.62
62	0.52
63	0.27
64	-0.26
65	0.98
66	0.38
67	0.52
68	0.99
69	0.99
70	0.61
71	0.93
72	0.07
73	0.90
74	0.33
75	-0.01
76	-0.27
77	0.93
78	0.76
79	-0.39
80	0.46
81	0.57
82	-0.77
84	-0.90
85	0.22
86	0.68
87	0.83
88	0.69
89	0.68
90	0.32
91	0.42
92	0.64
93	0.15
94	-0.09
95	0.90
96	0.94
97	0.76
98	0.39
99	0.52
100	0.06
101	-0.73
102	-0.11
105	-1.82
106	0.39
107	-1.27
108	0.23
109	-0.17
110	-0.13
111	0.10
112	0.39
113	-0.10
#Reported_Model_Average	0.340
#Overall_Average_Reported	0.340

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
24	0.08	0.08	0.08	0.08	0.08	0.55	0.08	0.55	0.08	0.55	0.08	0.55	0.08	0.08	0.55	0.55	0.08	0.55
25	1.62	0.96	1.62	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	1.62	0.96	0.96	0.96	0.96	0.96	0.96
26	0.49	0.49	0.49	0.49	-0.25	0.49	0.49	0.14	0.14	-0.25	0.49	0.14	0.49	-0.25	0.14	-0.25	-0.25	0.49
27	0.81	-0.54	0.81	0.81	-0.54	0.81	0.81	-0.54	-0.54	0.93	0.81	-0.54	-0.54	0.81	-0.54	-0.54	-0.54	0.81
28	0.08	0.55	0.08	0.08	0.55	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.55	0.08	0.08	0.08	0.08	0.08
29	0.41	-0.62	-1.25	-0.62	-1.25	-1.25	-1.25	-1.25	-1.25	0.30	-1.25	-1.25	-1.25	0.30	-1.25	-1.25	0.30	-1.25
30	0.62	0.60	0.60	0.60	-0.43	0.60	0.60	0.60	0.60	0.62	0.60	0.60	0.60	0.62	0.60	0.62	0.60	0.60
31	0.09	-0.58	0.09	0.09	0.09	0.09	0.09	0.09	0.09	0.09	-0.58	0.09	0.09	0.09	-0.58	0.09	0.09	-0.43
32	1.10	0.56	0.56	1.10	0.56	1.10	0.56	-0.20	-0.20	1.10	0.56	-0.20	1.10	1.10	-0.20	0.56	1.10	0.56
33	0.44	0.44	-0.02	0.44	0.76	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.76	0.44	0.44	-0.02	0.44
34	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66
35	0.82	-0.34	0.82	-0.34	0.82	-0.34	0.82	0.82	0.82	0.61	-0.34	-0.34	0.82	-0.34	0.82	-0.34	-0.34	0.82
36	0.29	0.29	-0.28	0.29	-0.28	-0.28	0.29	0.29	0.29	0.29	0.29	0.29	0.44	-0.28	0.29	0.29	-0.28	0.29
37	0.29	0.29	0.62	0.29	0.62	0.29	0.29	0.29	0.29	0.29	0.29	0.62	0.29	0.29	0.62	0.29	0.29	0.29
38	-0.32	-0.32	0.62	-0.32	-0.32	-0.32	-0.32	-0.32	-0.32	-0.32	-0.32	-0.32	-0.32	-0.32	-0.32	-0.32	-0.32	-0.32
39	1.28	1.28	1.28	1.28	1.28	0.87	0.87	0.87	0.87	0.87	0.87	0.87	0.87	0.87	0.87	0.87	1.28	0.87
40	0.17	0.17	0.82	0.17	0.17	0.17	0.17	0.17	0.17	0.17	0.17	0.17	0.17	0.17	0.17	-0.06	0.17	0.17
41	0.16	0.16	0.16	0.16	-0.38	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
42	0.77	1.06	0.77	0.77	0.77	0.29	0.29	1.06	1.06	1.06	0.77	0.77	0.77	0.29	0.77	0.77	0.77	1.06
43	-0.10	-0.10	-0.10	-0.10	-0.10	-0.10	-0.10	0.47	-0.10	-0.10	-0.10	-0.10	-0.10	-0.10	-0.10	0.47	-0.10	-0.10
44	0.64	0.64	-0.07	0.64	0.64	0.64	-0.07	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	-0.07	0.64	0.64
48	-0.84	-0.84	1.04	-0.84	0.71	-0.84	-0.84	-0.84	-0.84	-0.84	-0.84	0.71	-0.84	1.04	-0.84	-0.84	-0.84	-0.84
49	0.93	0.81	0.93	0.81	0.81	0.93	0.93	0.81	0.81	0.93	0.93	0.81	0.81	0.93	0.81	0.93	0.81	0.93
50	0.55	0.08	0.55	0.08	0.55	0.55	0.08	0.08	0.55	0.55	0.08	0.55	0.08	0.55	0.55	0.55	0.08	0.08
51	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
52	0.44	0.44	0.44	0.44	0.29	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.29	0.44	0.44	0.44	0.44
53	0.16	-0.32	0.16	0.16	0.16	0.62	0.62	-0.32	0.62	-0.32	0.62	0.16	0.16	0.16	0.62	0.62	0.16	0.62
54	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
55	0.56	0.56	0.56	0.56	0.56	0.56	0.56	-0.20	-0.20	1.10	-0.20	0.56	0.56	0.56	0.56	-0.20	0.56	0.56
56	0.32	0.32	0.32	0.32	-0.02	0.32	0.32	0.32	0.32	0.32	0.32	0.32	0.32	-0.02	0.32	0.32	0.32	0.32
57	0.87	0.87	0.87	0.87	-0.22	0.87	0.87	0.87	0.87	-0.22	0.87	0.87	0.87	0.87	0.87	0.87	0.87	0.87
58	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
59	-1.35	-1.35	-1.81	-1.81	-1.35	-1.35	-1.35	-1.81	-1.81	-1.35	-1.81	-1.81	-1.35	-1.35	-1.35	-1.81	-1.81	-1.81
60	0.29	0.29	0.62	0.62	0.62	0.62	0.29	0.29	0.62	0.62	0.62	0.62	0.29	0.29	0.29	0.29	0.62	0.62
61	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
62	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
63	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	1.06	1.06
64	0.25	0.44	0.25	0.44	0.64	0.44	0.44	0.64	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.64	0.25	0.44
65	0.29	0.29	0.29	0.29	0.62	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.29
66	0.05	0.05	0.05	0.05	0.05	0.05	0.05	0.05	0.05	0.05	0.05	0.05	0.05	0.05	0.05	0.05	0.05	0.05
67	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.74	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30
68	0.71	0.71	0.71	0.71	1.30	0.71	0.71	0.71	0.16	0.71	0.16	0.71	0.71	0.71	0.71	0.16	0.71	0.71
69	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.76	0.44	0.44	0.44	0.44	0.44
70	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	-0.32	0.62	0.62	0.62
71	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
72	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	0.86
73	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.76	0.44	0.44	0.44	0.44	0.44
74	0.16	0.16	0.71	0.16	0.71	0.71	0.16	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.16	0.71
75	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
76	-0.83	-0.83	-0.83	0.34	0.34	-0.83	-0.83	0.34	-0.83	-0.83	-0.83	-0.83	-0.83	0.34	-0.83	-0.83	-0.83	-0.83
77	-0.90	1.00	0.23	1.00	1.00	1.00	0.23	-0.90	0.23	1.00	1.00	1.00	1.00	0.23	0.23	0.23	-0.83	1.00
78	0.41	0.51	0.41	0.41	-0.26	0.41	0.41	0.41	0.51	0.51	0.41	0.41	0.51	0.41	0.51	0.41	0.41	0.41
79	0.41	0.41	0.41	0.51	0.51	0.41	0.41	0.51	0.41	0.51	0.41	0.41	0.51	0.41	0.41	0.51	0.41	0.41
80	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.23	0.23	0.51	0.51	0.51	0.51	0.51	0.51	0.51
81	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
82	-0.41	0.24	0.24	0.24	0.71	0.24	-0.41	-0.41	0.24	0.24	-0.41	0.24	0.71	0.71	0.24	0.24	0.71	0.24
84	0.51	0.51	0.51	0.51	-0.83	0.51	0.51	0.51	0.51	0.51	0.23	0.51	0.51	0.51	0.51	0.51	0.51	0.51
85	-0.32	-0.32	0.16	-0.32	0.16	-0.32	-0.32	-0.32	-0.32	0.62	-0.32	0.62	-0.32	0.16	0.62	-0.32	-0.32	0.16
86	0.30	0.30	-0.62	-0.62	-0.62	0.30	-0.62	-1.25	0.30	0.30	-0.62	-0.62	-0.62	0.30	0.30	-1.25	0.30	-0.62
87	-0.58	0.09	-0.58	0.09	0.09	-0.58	0.09	-0.58	-0.58	0.09	0.09	-0.58	0.09	-0.58	-0.58	0.09	0.09	0.09
88	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
89	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	-0.38	0.47	0.47	-0.38
90	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	0.55	1.11	1.11
91	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
92	1.26	1.26	1.02	1.26	1.26	1.26	1.26	1.26	1.26	1.02	1.02	1.26	1.02	1.26	1.26	1.26	1.26	1.26
93	-0.94	0.56	-0.94	0.56	0.56	0.56	-0.94	-0.94	-0.94	0.56	-0.94	-0.94	0.56	-0.94	-0.94	-0.94	0.56	0.56
94	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
95	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
96	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.56	0.66	0.66	0.66
97	1.30	0.71	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
98	-0.94	-1.37	-0.94	-0.94	-0.94	-0.94	-0.94	-1.37	-0.94	-0.94	-0.94	0.56	-0.94	-0.94	0.56	-0.94	-0.94	-0.94
99	-0.46	-0.46	-0.46	-0.30	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.30	-0.46	-0.46	-0.46
100	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	0.16	0.62	-0.32	0.62
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
102	-1.40	-0.43	-0.43	-0.43	-0.43	1.14	1.25	1.14	-0.43	-0.43	1.14	1.25	-0.43	1.25	1.25	1.25	-0.43	-1.40
105	0.25	0.44	0.44	0.25	0.44	0.25	0.44	0.44	0.64	0.64	0.25	0.25	0.44	0.25	0.64	0.64	0.25	0.25
106	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.17	0.17	0.34	0.34	0.34	0.34	0.34
107	0.14	0.14	0.14	0.14	0.14	0.14	0.14	-0.25	0.14	0.49	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14
108	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	1.06	1.06
109	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.59	0.64	0.64	0.64	0.64	0.64	0.59	0.64	0.64
110	0.05	-0.41	0.05	-0.25	0.05	0.05	0.05	0.05	0.05	-0.41	0.05	-0.25	-0.41	0.05	0.05	-0.41	0.05	-0.41
111	-0.62	0.41	-0.62	0.30	-0.62	0.30	0.30	-0.62	0.30	0.30	0.74	-0.62	0.30	0.30	0.30	-0.62	0.30	-0.62
112	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26
113	0.66	0.56	0.66	0.56	0.56	0.66	0.66	-0.94	0.66	-0.94	0.66	-0.94	0.56	0.66	0.56	0.56	0.66	-0.94
#Reported_Model_Average	0.416	0.415	0.446	0.456	0.429	0.459	0.409	0.353	0.396	0.471	0.403	0.431	0.450	0.485	0.427	0.369	0.398	0.403
#Overall_Average_Reported	0.423

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
24	0.08	0.08	0.08	0.08	0.08	0.55	0.08	0.55	0.08	0.55	0.08	0.55	0.08	0.08	0.55	0.55	0.08	0.55
25	1.62	0.96	1.62	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	1.62	0.96	0.96	0.96	0.96	0.96	0.96
26	0.49	0.49	0.49	0.49	-0.25	0.49	0.49	0.14	0.14	-0.25	0.49	0.14	0.49	-0.25	0.14	-0.25	-0.25	0.49
27	0.81	-0.54	0.81	0.81	-0.54	0.81	0.81	-0.54	-0.54	0.93	0.81	-0.54	-0.54	0.81	-0.54	-0.54	-0.54	0.81
28	0.08	0.55	0.08	0.08	0.55	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.55	0.08	0.08	0.08	0.08	0.08
29	0.41	-0.62	-1.25	-0.62	-1.25	-1.25	-1.25	-1.25	-1.25	0.30	-1.25	-1.25	-1.25	0.30	-1.25	-1.25	0.30	-1.25
30	0.62	0.60	0.60	0.60	-0.43	0.60	0.60	0.60	0.60	0.62	0.60	0.60	0.60	0.62	0.60	0.62	0.60	0.60
31	0.09	-0.58	0.09	0.09	0.09	0.09	0.09	0.09	0.09	0.09	-0.58	0.09	0.09	0.09	-0.58	0.09	0.09	-0.43
32	1.10	0.56	0.56	1.10	0.56	1.10	0.56	-0.20	-0.20	1.10	0.56	-0.20	1.10	1.10	-0.20	0.56	1.10	0.56
33	0.44	0.44	-0.02	0.44	0.76	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.76	0.44	0.44	-0.02	0.44
34	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66
35	0.82	-0.34	0.82	-0.34	0.82	-0.34	0.82	0.82	0.82	0.61	-0.34	-0.34	0.82	-0.34	0.82	-0.34	-0.34	0.82
36	0.29	0.29	-0.28	0.29	-0.28	-0.28	0.29	0.29	0.29	0.29	0.29	0.29	0.44	-0.28	0.29	0.29	-0.28	0.29
37	0.29	0.29	0.62	0.29	0.62	0.29	0.29	0.29	0.29	0.29	0.29	0.62	0.29	0.29	0.62	0.29	0.29	0.29
38	-0.32	-0.32	0.62	-0.32	-0.32	-0.32	-0.32	-0.32	-0.32	-0.32	-0.32	-0.32	-0.32	-0.32	-0.32	-0.32	-0.32	-0.32
39	1.28	1.28	1.28	1.28	1.28	0.87	0.87	0.87	0.87	0.87	0.87	0.87	0.87	0.87	0.87	0.87	1.28	0.87
40	0.17	0.17	0.82	0.17	0.17	0.17	0.17	0.17	0.17	0.17	0.17	0.17	0.17	0.17	0.17	-0.06	0.17	0.17
41	0.16	0.16	0.16	0.16	-0.38	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
42	0.77	1.06	0.77	0.77	0.77	0.29	0.29	1.06	1.06	1.06	0.77	0.77	0.77	0.29	0.77	0.77	0.77	1.06
43	-0.10	-0.10	-0.10	-0.10	-0.10	-0.10	-0.10	0.47	-0.10	-0.10	-0.10	-0.10	-0.10	-0.10	-0.10	0.47	-0.10	-0.10
44	0.64	0.64	-0.07	0.64	0.64	0.64	-0.07	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	-0.07	0.64	0.64
48	-0.84	-0.84	1.04	-0.84	0.71	-0.84	-0.84	-0.84	-0.84	-0.84	-0.84	0.71	-0.84	1.04	-0.84	-0.84	-0.84	-0.84
49	0.93	0.81	0.93	0.81	0.81	0.93	0.93	0.81	0.81	0.93	0.93	0.81	0.81	0.93	0.81	0.93	0.81	0.93
50	0.55	0.08	0.55	0.08	0.55	0.55	0.08	0.08	0.55	0.55	0.08	0.55	0.08	0.55	0.55	0.55	0.08	0.08
51	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
52	0.44	0.44	0.44	0.44	0.29	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.29	0.44	0.44	0.44	0.44
53	0.16	-0.32	0.16	0.16	0.16	0.62	0.62	-0.32	0.62	-0.32	0.62	0.16	0.16	0.16	0.62	0.62	0.16	0.62
54	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
55	0.56	0.56	0.56	0.56	0.56	0.56	0.56	-0.20	-0.20	1.10	-0.20	0.56	0.56	0.56	0.56	-0.20	0.56	0.56
56	0.32	0.32	0.32	0.32	-0.02	0.32	0.32	0.32	0.32	0.32	0.32	0.32	0.32	-0.02	0.32	0.32	0.32	0.32
57	0.87	0.87	0.87	0.87	-0.22	0.87	0.87	0.87	0.87	-0.22	0.87	0.87	0.87	0.87	0.87	0.87	0.87	0.87
58	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
59	-1.35	-1.35	-1.81	-1.81	-1.35	-1.35	-1.35	-1.81	-1.81	-1.35	-1.81	-1.81	-1.35	-1.35	-1.35	-1.81	-1.81	-1.81
60	0.29	0.29	0.62	0.62	0.62	0.62	0.29	0.29	0.62	0.62	0.62	0.62	0.29	0.29	0.29	0.29	0.62	0.62
61	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
62	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
63	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	1.06	1.06
64	0.25	0.44	0.25	0.44	0.64	0.44	0.44	0.64	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.64	0.25	0.44
65	0.29	0.29	0.29	0.29	0.62	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.29
66	0.05	0.05	0.05	0.05	0.05	0.05	0.05	0.05	0.05	0.05	0.05	0.05	0.05	0.05	0.05	0.05	0.05	0.05
67	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.74	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30
68	0.71	0.71	0.71	0.71	1.30	0.71	0.71	0.71	0.16	0.71	0.16	0.71	0.71	0.71	0.71	0.16	0.71	0.71
69	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.76	0.44	0.44	0.44	0.44	0.44
70	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	-0.32	0.62	0.62	0.62
71	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
72	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	0.86
73	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.76	0.44	0.44	0.44	0.44	0.44
74	0.16	0.16	0.71	0.16	0.71	0.71	0.16	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.16	0.71
75	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
76	-0.83	-0.83	-0.83	0.34	0.34	-0.83	-0.83	0.34	-0.83	-0.83	-0.83	-0.83	-0.83	0.34	-0.83	-0.83	-0.83	-0.83
77	-0.90	1.00	0.23	1.00	1.00	1.00	0.23	-0.90	0.23	1.00	1.00	1.00	1.00	0.23	0.23	0.23	-0.83	1.00
78	0.41	0.51	0.41	0.41	-0.26	0.41	0.41	0.41	0.51	0.51	0.41	0.41	0.51	0.41	0.51	0.41	0.41	0.41
79	0.41	0.41	0.41	0.51	0.51	0.41	0.41	0.51	0.41	0.51	0.41	0.41	0.51	0.41	0.41	0.51	0.41	0.41
80	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.23	0.23	0.51	0.51	0.51	0.51	0.51	0.51	0.51
81	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
82	-0.41	0.24	0.24	0.24	0.71	0.24	-0.41	-0.41	0.24	0.24	-0.41	0.24	0.71	0.71	0.24	0.24	0.71	0.24
84	0.51	0.51	0.51	0.51	-0.83	0.51	0.51	0.51	0.51	0.51	0.23	0.51	0.51	0.51	0.51	0.51	0.51	0.51
85	-0.32	-0.32	0.16	-0.32	0.16	-0.32	-0.32	-0.32	-0.32	0.62	-0.32	0.62	-0.32	0.16	0.62	-0.32	-0.32	0.16
86	0.30	0.30	-0.62	-0.62	-0.62	0.30	-0.62	-1.25	0.30	0.30	-0.62	-0.62	-0.62	0.30	0.30	-1.25	0.30	-0.62
87	-0.58	0.09	-0.58	0.09	0.09	-0.58	0.09	-0.58	-0.58	0.09	0.09	-0.58	0.09	-0.58	-0.58	0.09	0.09	0.09
88	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
89	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	-0.38	0.47	0.47	-0.38
90	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	0.55	1.11	1.11
91	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
92	1.26	1.26	1.02	1.26	1.26	1.26	1.26	1.26	1.26	1.02	1.02	1.26	1.02	1.26	1.26	1.26	1.26	1.26
93	-0.94	0.56	-0.94	0.56	0.56	0.56	-0.94	-0.94	-0.94	0.56	-0.94	-0.94	0.56	-0.94	-0.94	-0.94	0.56	0.56
94	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
95	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
96	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.56	0.66	0.66	0.66
97	1.30	0.71	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
98	-0.94	-1.37	-0.94	-0.94	-0.94	-0.94	-0.94	-1.37	-0.94	-0.94	-0.94	0.56	-0.94	-0.94	0.56	-0.94	-0.94	-0.94
99	-0.46	-0.46	-0.46	-0.30	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.30	-0.46	-0.46	-0.46
100	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	0.16	0.62	-0.32	0.62
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
102	-1.40	-0.43	-0.43	-0.43	-0.43	1.14	1.25	1.14	-0.43	-0.43	1.14	1.25	-0.43	1.25	1.25	1.25	-0.43	-1.40
105	0.25	0.44	0.44	0.25	0.44	0.25	0.44	0.44	0.64	0.64	0.25	0.25	0.44	0.25	0.64	0.64	0.25	0.25
106	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.17	0.17	0.34	0.34	0.34	0.34	0.34
107	0.14	0.14	0.14	0.14	0.14	0.14	0.14	-0.25	0.14	0.49	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14
108	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	1.06	1.06
109	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.59	0.64	0.64	0.64	0.64	0.64	0.59	0.64	0.64
110	0.05	-0.41	0.05	-0.25	0.05	0.05	0.05	0.05	0.05	-0.41	0.05	-0.25	-0.41	0.05	0.05	-0.41	0.05	-0.41
111	-0.62	0.41	-0.62	0.30	-0.62	0.30	0.30	-0.62	0.30	0.30	0.74	-0.62	0.30	0.30	0.30	-0.62	0.30	-0.62
112	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26
113	0.66	0.56	0.66	0.56	0.56	0.66	0.66	-0.94	0.66	-0.94	0.66	-0.94	0.56	0.66	0.56	0.56	0.66	-0.94
#Reported_Model_Average	0.416	0.415	0.446	0.456	0.429	0.459	0.409	0.353	0.396	0.471	0.403	0.431	0.450	0.485	0.427	0.369	0.398	0.403
#Overall_Average_Reported	0.423

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
24.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
25.000	0	1	0	0	0	0	0	1	0	0	0	1	0	1	0	0	3	0
26.000	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0
27.000	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0
28.000	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0
29.000	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0
30.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
31.000	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0
32.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
33.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
34.000	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	1	0	0	0	0	0	1	0	0	0
36.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
37.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
38.000	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0
39.000	0	0	0	2	0	1	0	0	0	0	0	0	0	0	0	0	1	1
40.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
41.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
42.000	0	4	0	0	0	0	0	0	0	4	0	0	0	0	0	4	0	5
43.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
44.000	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	2	0
48.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
49.000	0	3	0	0	0	0	2	2	2	2	1	0	3	0	0	0	1	1
50.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
51.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
52.000	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
53.000	0	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0
54.000	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0
55.000	0	1	0	0	0	1	0	0	0	0	0	0	0	0	1	0	0	0
56.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
57.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
58.000	0	5	0	1	2	1	6	1	0	0	1	1	1	4	2	1	0	1
59.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
60.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
61.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
62.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
63.000	0	1	0	0	2	2	0	1	0	0	0	1	0	0	0	1	0	2
64.000	0	0	1	0	1	1	0	1	0	1	0	0	0	0	0	0	0	0
65.000	1	2	2	1	1	2	1	1	1	2	1	1	1	0	1	1	2	1
66.000	1	2	3	1	1	3	1	2	1	3	1	1	1	0	1	1	2	1
67.000	0	2	0	2	0	2	0	0	1	0	0	0	2	0	0	1	0	1
68.000	0	1	0	1	3	1	1	2	0	0	1	2	1	1	0	2	0	3
69.000	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	0	0	0	0	0	0	0
71.000	0	0	1	1	1	0	0	0	0	0	1	1	0	0	0	0	1	1
72.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0
73.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
74.000	1	0	2	1	0	1	0	0	0	1	0	0	1	0	0	1	0	0
75.000	0	0	0	1	0	0	1	0	0	0	0	0	0	1	0	0	0	0
76.000	0	0	0	0	1	0	0	0	0	0	1	0	1	0	0	0	0	0
77.000	1	0	0	0	0	1	0	0	0	1	0	0	1	0	0	0	0	1
78.000	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	1	0	0	0	0	0
80.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
81.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
82.000	1	1	0	0	2	1	0	0	0	0	0	0	0	1	0	0	0	2
84.000	0	2	0	0	0	0	0	0	2	0	0	0	1	0	0	2	0	0
85.000	0	0	0	4	2	3	0	0	0	0	0	0	0	2	0	0	2	1
86.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
87.000	1	0	0	0	1	1	0	0	2	1	1	0	0	0	3	0	1	1
88.000	0	1	1	0	0	1	0	0	0	0	0	1	1	0	0	0	0	0
89.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
90.000	0	0	0	1	0	0	0	0	0	0	0	0	0	1	1	0	0	0
91.000	0	0	0	1	0	0	1	1	0	0	0	0	0	1	0	0	0	1
92.000	0	0	0	0	0	2	1	0	1	0	0	0	0	0	1	0	0	0
93.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
94.000	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0
95.000	0	0	1	0	1	1	2	1	0	0	0	0	0	1	1	0	1	2
96.000	1	0	0	0	1	0	1	0	0	0	1	1	0	1	1	0	0	0
97.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0
98.000	0	1	2	2	0	1	4	2	1	0	1	1	2	0	2	1	0	3
99.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
100.000	1	0	0	0	1	0	1	0	0	0	1	1	0	1	1	0	0	0
101.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
102.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
105.000	2	0	1	0	0	0	0	2	0	2	0	1	0	0	0	1	0	0
106.000	0	0	0	1	0	1	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
108.000	0	0	1	0	0	0	0	0	1	1	1	0	1	0	0	0	1	0
109.000	0	0	0	0	0	0	0	0	0	1	2	0	0	0	0	0	1	0
110.000	0	0	0	0	0	1	0	0	1	1	1	0	1	1	0	1	1	0
111.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
112.000	0	0	0	1	0	0	0	1	0	0	0	1	0	1	0	0	1	0
113.000	0	0	0	0	0	1	0	0	1	1	1	0	2	2	0	1	1	0
#Reported_Model_Average	0.119	0.345	0.179	0.274	0.238	0.357	0.262	0.214	0.190	0.274	0.202	0.167	0.286	0.250	0.214	0.238	0.262	0.333
#Overall_Average_Reported	0.245

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  1885:A  74 LEU 1HD2 :A 105 PRO  O   :   -0.474:        0
:  1885:A 105 PRO 2HD  :A 104 LEU  HA  :   -0.409:        0

:  1885:A  65 GLN  N   :A  66 PRO 1HD  :   -0.447:        0

:  1885:A  96 LYS  O   :A 100 GLN 1HG  :   -0.425:        0

:  1885:A  83 MET 1HB  :A  82 ARG  O   :   -0.420:        0

:  1885:A  77 MET  H   :A  87 GLU 1HG  :   -0.410:        0
#sum2 ::3.18 clashscore : 3.18 clashscore B<40 
#summary::1885 atoms:1885 atoms B<40:212215 potential dots:13260.0 A^2:6 bumps:6 bumps B<40:744.5 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  1885:A  42 LEU  O   :A  42 LEU 3HD2 :   -0.916:        0
:  1885:A  49 ILE 1HG2 :A  42 LEU 3HD1 :   -0.420:        0
:  1885:A  49 ILE 2HD1 :A  49 ILE  C   :   -0.420:        0
:  1885:A  42 LEU 1HD2 :A  53 GLN 2HB  :   -0.414:        0

:  1885:A  18 PHE  CD2 :A  18 PHE  O   :   -0.540:        0

:  1885:A  58 PHE  N   :A  58 PHE  HD1 :   -0.520:        0
:  1885:A  58 PHE  CD1 :A  58 PHE  N   :   -0.516:        0
:  1885:A  68 LEU 2HD2 :A  58 PHE 1HB  :   -0.445:        0

:  1885:A  15 PRO 1HD  :A  14 PHE 1HB  :   -0.497:        0

:  1885:A  84 ASP  OD1 :A  84 ASP  C   :   -0.478:        0

:  1885:A 104 LEU 1HD1 :A  25 TRP  CZ3 :   -0.467:        0

:  1885:A  82 ARG  O   :A  83 MET 2HB  :   -0.462:        0
:  1885:A  88 PHE  HA  :A  83 MET  SD  :   -0.434:        0

:  1885:A  63 LEU 2HD2 :A  67 VAL 1HG1 :   -0.456:        0
:  1885:A  67 VAL 3HG1 :A  98 LYS  CE  :   -0.406:        0

:  1885:A  66 PRO 2HD  :A  65 GLN 1HB  :   -0.430:        0
:  1885:A  65 GLN  N   :A  66 PRO  CD  :   -0.410:        0

:  1885:A  52 ASP  HA  :A  55 ARG 2HD  :   -0.426:        0
#sum2 ::9.55 clashscore : 9.55 clashscore B<40 
#summary::1885 atoms:1885 atoms B<40:212071 potential dots:13250.0 A^2:18 bumps:18 bumps B<40:669.8 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  1885:A  71 ILE 1HG2 :A  95 ILE 2HG1 :   -0.466:        0

:  1885:A  98 LYS 2HE  :A  98 LYS 2HB  :   -0.446:        0

:  1885:A  66 PRO 2HD  :A  65 GLN 1HB  :   -0.444:        0
:  1885:A  66 PRO  CD  :A  65 GLN  N   :   -0.420:        0
:  1885:A  66 PRO 1HD  :A  64 PRO 1HB  :   -0.405:        0

:  1885:A 119 ILE  HB  :A 118 ALA  O   :   -0.414:        0

:  1885:A  88 PHE  HA  :A  83 MET  SD  :   -0.413:        0

:  1885:A  47 GLY  CA  :A   7 HIS  HA  :   -0.413:        0

:  1885:A  15 PRO 2HD  :A  13 GLN 1HG  :   -0.412:        0

:  1885:A  74 LEU 2HD2 :A 108 LEU  HG  :   -0.412:        0
:  1885:A  74 LEU 1HD1 :A 105 PRO  O   :   -0.409:        0
#sum2 ::5.84 clashscore : 5.84 clashscore B<40 
#summary::1885 atoms:1885 atoms B<40:211783 potential dots:13240.0 A^2:11 bumps:11 bumps B<40:751 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  1885:A 115 GLN  N   :A 116 PRO  CD  :   -0.497:        0
:  1885:A 115 GLN 2HB  :A 116 PRO 2HD  :   -0.454:        0

:  1885:A 106 SER  HA  :A  74 LEU 3HD2 :   -0.484:        0

:  1885:A  83 MET  SD  :A  54 ALA 1HB  :   -0.456:        0

:  1885:A  39 PHE  CE1 :A  85 GLN 2HG  :   -0.442:        0
:  1885:A  39 PHE  CZ  :A  85 GLN 2HG  :   -0.436:        0
:  1885:A  85 GLN  H   :A  85 GLN  CD  :   -0.410:        0

:  1885:A  66 PRO 2HD  :A  65 GLN 1HB  :   -0.435:        0

:  1885:A  90 ILE 2HG1 :A 112 MET 2HB  :   -0.429:        0

:  1885:A  58 PHE 2HB  :A  68 LEU 2HD2 :   -0.418:        0

:  1885:A  94 LEU 2HB  :A  71 ILE 3HG2 :   -0.411:        0

:  1885:A  75 ALA  CB  :A  91 ALA 2HB  :   -0.411:        0

:  1885:A  98 LYS 2HD  :A  67 VAL 3HG1 :   -0.409:        0
:  1885:A  67 VAL  CG1 :A  98 LYS 1HG  :   -0.405:        0
#sum2 ::7.43 clashscore : 7.43 clashscore B<40 
#summary::1885 atoms:1885 atoms B<40:212043 potential dots:13250.0 A^2:14 bumps:14 bumps B<40:673.8 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  1885:A   3 HIS 1HB  :A   2 GLY  O   :   -0.520:        0

:  1885:A  85 GLN  N   :A  85 GLN  NE2 :   -0.506:        0

:  1885:A  58 PHE 2HB  :A  68 LEU 2HD2 :   -0.478:        0
:  1885:A  68 LEU 1HD2 :A  63 LEU 1HB  :   -0.418:        0
:  1885:A  58 PHE 2HB  :A  68 LEU  CD2 :   -0.417:        0
:  1885:A  64 PRO 2HD  :A  63 LEU  HA  :   -0.413:        0

:  1885:A  96 LYS  O   :A 100 GLN 1HG  :   -0.472:        0

:  1885:A  87 GLU 1HG  :A  76 ASP  HA  :   -0.467:        0

:  1885:A  65 GLN  N   :A  66 PRO 1HD  :   -0.462:        0

:  1885:A  82 ARG  O   :A  83 MET 2HB  :   -0.460:        0
:  1885:A  82 ARG  O   :A  83 MET  CB  :   -0.418:        0

:  1885:A  71 ILE 3HD1 :A  95 ILE 3HD1 :   -0.439:        0
#sum2 ::6.37 clashscore : 6.37 clashscore B<40 
#summary::1885 atoms:1885 atoms B<40:211797 potential dots:13240.0 A^2:12 bumps:12 bumps B<40:766.4 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  1885:A  13 GLN  O   :A  14 PHE 2HB  :   -0.571:        0
:  1885:A  13 GLN  O   :A  14 PHE  CB  :   -0.501:        0

:  1885:A  17 PRO 2HD  :A  16 THR  HB  :   -0.547:        0
:  1885:A  16 THR  N   :A  17 PRO  CD  :   -0.474:        0

:  1885:A 110 PRO  HA  :A 113 LYS 1HG  :   -0.488:        0

:  1885:A 106 SER  HA  :A  74 LEU  HG  :   -0.458:        0

:  1885:A  83 MET 2HB  :A  82 ARG  O   :   -0.455:        0
:  1885:A  83 MET  SD  :A  88 PHE  HA  :   -0.434:        0

:  1885:A  58 PHE  CZ  :A  55 ARG  HA  :   -0.447:        0

:  1885:A  66 PRO 2HD  :A  65 GLN 1HB  :   -0.447:        0
:  1885:A  66 PRO 1HD  :A  64 PRO 1HB  :   -0.436:        0
:  1885:A  66 PRO  CD  :A  65 GLN  N   :   -0.418:        0

:  1885:A  39 PHE  CE1 :A  85 GLN 2HG  :   -0.434:        0

:  1885:A  46 SER 1HB  :A  45 ILE  O   :   -0.434:        0

:  1885:A  85 GLN  CD  :A  85 GLN  H   :   -0.403:        0

:  1885:A  67 VAL 1HG1 :A  63 LEU 2HD2 :   -0.413:        0
:  1885:A  67 VAL 3HG1 :A  98 LYS 1HD  :   -0.412:        0
:  1885:A  63 LEU 1HB  :A  68 LEU 1HD2 :   -0.407:        0

:  1885:A  92 MET  CE  :A  38 GLN 2HG  :   -0.411:        0
:  1885:A  92 MET  HA  :A  95 ILE 2HD1 :   -0.404:        0

:  1885:A  87 GLU 1HG  :A  77 MET  H   :   -0.400:        0
#sum2 ::11.14 clashscore : 11.14 clashscore B<40 
#summary::1885 atoms:1885 atoms B<40:211859 potential dots:13240.0 A^2:21 bumps:21 bumps B<40:662.6 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  1885:A  98 LYS  HA  :A  98 LYS 1HE  :   -0.865:        0
:  1885:A  98 LYS  HA  :A  98 LYS  CE  :   -0.527:        0

:  1885:A  58 PHE  N   :A  58 PHE  HD1 :   -0.484:        0
:  1885:A  58 PHE  CD1 :A  58 PHE  N   :   -0.465:        0
:  1885:A  95 ILE 1HD1 :A  58 PHE  CD1 :   -0.451:        0
:  1885:A  95 ILE 2HD1 :A  92 MET  HA  :   -0.437:        0
:  1885:A  58 PHE 2HB  :A  68 LEU 2HD2 :   -0.425:        0

:  1885:A  65 GLN  N   :A  66 PRO 1HD  :   -0.471:        0

:  1885:A  49 ILE 2HD1 :A  49 ILE  C   :   -0.456:        0

:  1885:A  46 SER 1HB  :A  45 ILE  O   :   -0.454:        0

:  1885:A  96 LYS  O   :A 100 GLN 1HG  :   -0.443:        0

:  1885:A  75 ALA  CB  :A  91 ALA 2HB  :   -0.423:        0
#sum2 ::6.37 clashscore : 6.37 clashscore B<40 
#summary::1885 atoms:1885 atoms B<40:211968 potential dots:13250.0 A^2:12 bumps:12 bumps B<40:686.7 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  1885:A  68 LEU 1HD2 :A  63 LEU 1HB  :   -0.490:        0
:  1885:A  58 PHE 2HB  :A  68 LEU 2HD2 :   -0.455:        0

:  1885:A 105 PRO 1HD  :A 104 LEU 2HD1 :   -0.481:        0
:  1885:A 105 PRO 1HD  :A 104 LEU  HA  :   -0.406:        0

:  1885:A  98 LYS  HA  :A  98 LYS 1HD  :   -0.444:        0

:  1885:A  66 PRO 1HD  :A  64 PRO 1HB  :   -0.436:        0
:  1885:A  65 GLN  N   :A  66 PRO  CD  :   -0.416:        0

:  1885:A  25 TRP  O   :A 112 MET  SD  :   -0.433:        0

:  1885:A  91 ALA  O   :A  95 ILE 2HG1 :   -0.432:        0

:  1885:A  49 ILE 2HD1 :A  49 ILE  C   :   -0.427:        0
#sum2 ::5.31 clashscore : 5.31 clashscore B<40 
#summary::1885 atoms:1885 atoms B<40:212029 potential dots:13250.0 A^2:10 bumps:10 bumps B<40:671.1 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  1885:A  98 LYS 1HE  :A  67 VAL 3HG1 :   -0.505:        0

:  1885:A  87 GLU 2HB  :A  83 MET 2HG  :   -0.485:        0
:  1885:A  87 GLU  CB  :A  83 MET 2HG  :   -0.422:        0

:  1885:A 110 PRO  HA  :A 113 LYS 1HG  :   -0.467:        0

:  1885:A  94 LEU 1HD2 :A 108 LEU 1HD2 :   -0.455:        0

:  1885:A  65 GLN  N   :A  66 PRO 1HD  :   -0.444:        0

:  1885:A  49 ILE 2HD1 :A  49 ILE  C   :   -0.437:        0

:  1885:A  84 ASP  OD1 :A  84 ASP  C   :   -0.421:        0

:  1885:A  92 MET  SD  :A  35 HIS  HA  :   -0.414:        0
#sum2 ::4.77 clashscore : 4.77 clashscore B<40 
#summary::1885 atoms:1885 atoms B<40:211897 potential dots:13240.0 A^2:9 bumps:9 bumps B<40:669 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  1885:A  42 LEU  O   :A  42 LEU 3HD2 :   -0.748:        0
:  1885:A  42 LEU  O   :A  42 LEU  CD2 :   -0.418:        0

:  1885:A 110 PRO  HA  :A 113 LYS 1HG  :   -0.484:        0

:  1885:A  74 LEU 1HD2 :A 105 PRO  O   :   -0.474:        0
:  1885:A 105 PRO 2HD  :A 104 LEU  HA  :   -0.431:        0

:  1885:A  77 MET  H   :A  87 GLU 1HG  :   -0.461:        0

:  1885:A  14 PHE 1HB  :A  29 VAL  HB  :   -0.449:        0

:  1885:A  23 ASP 2HB  :A  26 ALA 3HB  :   -0.449:        0

:  1885:A  15 PRO 1HD  :A  14 PHE 2HB  :   -0.442:        0

:  1885:A  49 ILE 2HD1 :A  49 ILE  C   :   -0.422:        0

:  1885:A  66 PRO 2HD  :A  65 GLN 1HB  :   -0.420:        0
:  1885:A  65 GLN  N   :A  66 PRO  CD  :   -0.419:        0
:  1885:A  66 PRO 1HD  :A  64 PRO 1HB  :   -0.405:        0

:  1885:A 109 PRO 2HD  :A 108 LEU  HA  :   -0.412:        0
#sum2 ::7.43 clashscore : 7.43 clashscore B<40 
#summary::1885 atoms:1885 atoms B<40:212107 potential dots:13260.0 A^2:14 bumps:14 bumps B<40:715.7 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  1885:A  53 GLN 1HB  :A  49 ILE  HB  :   -0.463:        0

:  1885:A  87 GLU  CB  :A  83 MET 2HG  :   -0.456:        0
:  1885:A  76 ASP 1HB  :A  83 MET 3HE  :   -0.406:        0

:  1885:A  17 PRO 1HD  :A  16 THR  HB  :   -0.442:        0

:  1885:A  96 LYS  O   :A 100 GLN 1HG  :   -0.431:        0

:  1885:A  65 GLN  N   :A  66 PRO 1HD  :   -0.427:        0

:  1885:A 109 PRO 2HD  :A 108 LEU  HA  :   -0.424:        0

:  1885:A   6 HIS  O   :A   7 HIS  C   :   -0.424:        0

:  1885:A 109 PRO 2HD  :A 104 LEU 1HD1 :   -0.414:        0

:  1885:A  58 PHE 2HB  :A  68 LEU 2HD2 :   -0.422:        0

:  1885:A 110 PRO  HA  :A 113 LYS 1HG  :   -0.420:        0

:  1885:A  98 LYS 2HG  :A  71 ILE 1HD1 :   -0.404:        0
#sum2 ::6.37 clashscore : 6.37 clashscore B<40 
#summary::1885 atoms:1885 atoms B<40:211761 potential dots:13240.0 A^2:12 bumps:12 bumps B<40:738.3 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  1885:A 115 GLN 1HG  :A 114 GLN  O   :   -0.576:        0
:  1885:A 116 PRO  CD  :A 115 GLN 1HB  :   -0.446:        0
:  1885:A 116 PRO 1HD  :A 115 GLN 1HB  :   -0.409:        0
:  1885:A 115 GLN  CB  :A 116 PRO  CD  :   -0.403:        0

:  1885:A  88 PHE  HA  :A  83 MET  SD  :   -0.507:        0

:  1885:A 105 PRO 1HD  :A 104 LEU 2HD1 :   -0.507:        0

:  1885:A  65 GLN  N   :A  66 PRO 1HD  :   -0.463:        0

:  1885:A  68 LEU  CD2 :A  63 LEU 1HB  :   -0.452:        0
:  1885:A  58 PHE 2HB  :A  68 LEU 2HD2 :   -0.430:        0

:  1885:A  22 LEU 2HB  :A  21 SER  O   :   -0.448:        0

:  1885:A  96 LYS  O   :A 100 GLN 1HG  :   -0.423:        0

:  1885:A  25 TRP  O   :A 112 MET  SD  :   -0.413:        0

:  1885:A  98 LYS 2HG  :A  71 ILE 1HD1 :   -0.410:        0
#sum2 ::6.90 clashscore : 6.90 clashscore B<40 
#summary::1885 atoms:1885 atoms B<40:212006 potential dots:13250.0 A^2:13 bumps:13 bumps B<40:671.5 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  1885:A  79 ASN  HA  :A  76 ASP  CG  :   -0.492:        0

:  1885:A  74 LEU 2HD2 :A 108 LEU  HG  :   -0.478:        0

:  1885:A  84 ASP  O   :A  88 PHE  N   :   -0.458:        0

:  1885:A 110 PRO  HA  :A 113 LYS 1HG  :   -0.453:        0
:  1885:A 113 LYS 1HB  :A  77 MET  SD  :   -0.429:        0

:  1885:A  65 GLN  N   :A  66 PRO 1HD  :   -0.428:        0

:  1885:A  68 LEU 2HD2 :A  58 PHE 1HB  :   -0.418:        0

:  1885:A  67 VAL  CG1 :A  98 LYS 1HG  :   -0.415:        0
:  1885:A  98 LYS 1HG  :A  67 VAL 1HG1 :   -0.410:        0

:  1885:A  44 PRO 2HB  :A  49 ILE 3HG2 :   -0.413:        0
:  1885:A  49 ILE 2HD1 :A  49 ILE  C   :   -0.402:        0

:  1885:A 115 GLN  O   :A 115 GLN 1HG  :   -0.407:        0

:  1885:A  31 GLU  OE1 :A  27 ILE  HA  :   -0.401:        0
#sum2 ::6.90 clashscore : 6.90 clashscore B<40 
#summary::1885 atoms:1885 atoms B<40:211881 potential dots:13240.0 A^2:13 bumps:13 bumps B<40:706.7 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  1885:A 110 PRO  HA  :A 113 LYS 1HG  :   -0.483:        0
:  1885:A  90 ILE 1HD1 :A 113 LYS  HA  :   -0.405:        0

:  1885:A  28 THR 1HG2 :A  21 SER  HA  :   -0.480:        0

:  1885:A  75 ALA  CB  :A  91 ALA 2HB  :   -0.469:        0

:  1885:A  85 GLN  H   :A  85 GLN  CD  :   -0.467:        0

:  1885:A  83 MET 1HB  :A  82 ARG  O   :   -0.464:        0

:  1885:A  23 ASP 2HB  :A  26 ALA 3HB  :   -0.459:        0

:  1885:A  96 LYS  O   :A 100 GLN 1HG  :   -0.439:        0

:  1885:A  58 PHE  N   :A  58 PHE  CD1 :   -0.432:        0
:  1885:A  95 ILE 1HD1 :A  58 PHE  CD1 :   -0.432:        0
:  1885:A  68 LEU 2HD2 :A  58 PHE  CB  :   -0.414:        0

:  1885:A  25 TRP  O   :A 112 MET  SD  :   -0.413:        0
#sum2 ::6.37 clashscore : 6.37 clashscore B<40 
#summary::1885 atoms:1885 atoms B<40:212019 potential dots:13250.0 A^2:12 bumps:12 bumps B<40:740.5 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  1885:A  98 LYS 2HE  :A  98 LYS  HA  :   -0.591:        0

:  1885:A  92 MET  SD  :A  35 HIS  HA  :   -0.465:        0

:  1885:A  96 LYS  O   :A 100 GLN 1HG  :   -0.459:        0

:  1885:A   3 HIS  O   :A   4 HIS 1HB  :   -0.444:        0

:  1885:A  65 GLN  N   :A  66 PRO 1HD  :   -0.423:        0

:  1885:A  93 LYS  O   :A  97 LEU  N   :   -0.417:        0

:  1885:A  87 GLU  HA  :A  90 ILE 1HG1 :   -0.417:        0
:  1885:A  87 GLU  OE1 :A  87 GLU  N   :   -0.408:        0

:  1885:A  58 PHE 2HB  :A  95 ILE 1HD1 :   -0.406:        0
:  1885:A  58 PHE  CZ  :A  55 ARG  HA  :   -0.404:        0
#sum2 ::5.31 clashscore : 5.31 clashscore B<40 
#summary::1885 atoms:1885 atoms B<40:211892 potential dots:13240.0 A^2:10 bumps:10 bumps B<40:671.9 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  1885:A  42 LEU  O   :A  42 LEU 3HD2 :   -0.759:        0
:  1885:A  42 LEU  O   :A  42 LEU  CD2 :   -0.437:        0

:  1885:A 110 PRO  HA  :A 113 LYS 1HG  :   -0.495:        0

:  1885:A  68 LEU 1HD2 :A  63 LEU 1HB  :   -0.465:        0
:  1885:A  58 PHE 2HB  :A  68 LEU 2HD2 :   -0.420:        0

:  1885:A  11 MET 1HE  :A 104 LEU 1HB  :   -0.448:        0
:  1885:A 104 LEU  N   :A 104 LEU 3HD2 :   -0.431:        0

:  1885:A  84 ASP  OD1 :A  84 ASP  C   :   -0.444:        0

:  1885:A  67 VAL  CG1 :A  98 LYS 1HG  :   -0.428:        0

:  1885:A  72 TRP  CD1 :A  72 TRP  C   :   -0.413:        0

:  1885:A  65 GLN  N   :A  66 PRO 1HD  :   -0.411:        0

:  1885:A  74 LEU 1HD2 :A 105 PRO  O   :   -0.408:        0
#sum2 ::6.37 clashscore : 6.37 clashscore B<40 
#summary::1885 atoms:1885 atoms B<40:211921 potential dots:13250.0 A^2:12 bumps:12 bumps B<40:669.9 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  1885:A  25 TRP 2HB  :A 112 MET  SD  :   -0.501:        0
:  1885:A  97 LEU 2HD1 :A  25 TRP  CE3 :   -0.422:        0
:  1885:A  25 TRP  CH2 :A 104 LEU  HG  :   -0.421:        0

:  1885:A  15 PRO 2HD  :A  13 GLN 1HG  :   -0.496:        0

:  1885:A  87 GLU 2HB  :A  83 MET 2HG  :   -0.496:        0

:  1885:A  71 ILE 1HG2 :A  95 ILE 2HG1 :   -0.460:        0

:  1885:A 110 PRO  HA  :A 113 LYS 1HG  :   -0.444:        0

:  1885:A  46 SER 1HB  :A  45 ILE  O   :   -0.444:        0

:  1885:A  66 PRO 2HD  :A  65 GLN 1HB  :   -0.436:        0
:  1885:A  65 GLN  N   :A  66 PRO  CD  :   -0.405:        0

:  1885:A 109 PRO 2HD  :A 108 LEU  HA  :   -0.433:        0

:  1885:A  39 PHE  O   :A  44 PRO 2HD  :   -0.423:        0
:  1885:A  44 PRO 2HB  :A  49 ILE 3HG2 :   -0.401:        0

:  1885:A  85 GLN  H   :A  85 GLN  CD  :   -0.402:        0
#sum2 ::7.43 clashscore : 7.43 clashscore B<40 
#summary::1885 atoms:1885 atoms B<40:211739 potential dots:13230.0 A^2:14 bumps:14 bumps B<40:670 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  1885:A  42 LEU  O   :A  42 LEU 3HD2 :   -0.771:        0
:  1885:A  42 LEU  O   :A  42 LEU  CD2 :   -0.485:        0
:  1885:A  49 ILE 1HG2 :A  42 LEU 3HD1 :   -0.420:        0

:  1885:A  83 MET 1HB  :A  82 ARG  O   :   -0.546:        0
:  1885:A  82 ARG  O   :A  83 MET  CB  :   -0.411:        0

:  1885:A  98 LYS  HA  :A  98 LYS 1HD  :   -0.453:        0
:  1885:A  67 VAL 3HG1 :A  98 LYS  CE  :   -0.429:        0

:  1885:A  39 PHE  CZ  :A  85 GLN 2HG  :   -0.441:        0

:  1885:A  68 LEU 1HD2 :A  63 LEU 1HB  :   -0.424:        0
:  1885:A  68 LEU  CD2 :A  63 LEU 1HB  :   -0.422:        0
:  1885:A  58 PHE 2HB  :A  68 LEU 2HD2 :   -0.417:        0

:  1885:A  95 ILE  HA  :A  71 ILE 3HD1 :   -0.415:        0

:  1885:A  65 GLN  N   :A  66 PRO 1HD  :   -0.415:        0

:  1885:A  91 ALA  O   :A  95 ILE 2HG1 :   -0.412:        0

:  1885:A  77 MET  H   :A  87 GLU 1HG  :   -0.412:        0
#sum2 ::7.96 clashscore : 7.96 clashscore B<40 
#summary::1885 atoms:1885 atoms B<40:211985 potential dots:13250.0 A^2:15 bumps:15 bumps B<40:641.4 score

Output from PDB validation software

Summary from PDB validation

                                                       May. 10, 06:32:22 2013

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


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

CLOSE CONTACTS

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

   Chain Atom    Res  Seq   Chain Atom    Res  Seq   Mol_ID            Distance
   -------------------------------------------------------------------------
       A  O      ASP   84 -     A  H      PHE   88       17            Dist = 1.54
       A  O      ASP   84 -     A  H      PHE   88       13            Dist = 1.54
       A  O      ASP   84 -     A  H      PHE   88       16            Dist = 1.54
       A  O      ASP   84 -     A  H      PHE   88        4            Dist = 1.55
       A  O      ASP   84 -     A  H      PHE   88       18            Dist = 1.55
       A  O      ASP   84 -     A  H      PHE   88       10            Dist = 1.56
       A  O      LYS   93 -     A  H      LEU   97       15            Dist = 1.58
       A  O      HIS   35 -     A  H      PHE   39       10            Dist = 1.59


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   0.008 Angstroms


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


 Deviation  Residue  Chain  Sequence  Model  AT1  -  AT2    Bond    Dictionary
             Name     ID     Number                 Distance    Value
------------------------------------------------------------------------
   0.050     PRO        A    116        3   CD   -  N      1.523     1.473
   0.047     PRO        A    116        4   CD   -  N      1.520     1.473
   0.054     PRO        A     15       11   CD   -  N      1.527     1.473
   0.048     PRO        A     17       15   CD   -  N      1.521     1.473

    *** Covalent Angle Values:


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


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


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


CHIRALITY

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


E/Z NOMENCLATURE

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

Model  Chain  Residue  Residue  Atom Name  Original
               Name    Number              Atom Name
-----  -----  -------  -------  --------   ---------
  1    A       GLN       13      1HE2
  1    A       GLN       13      2HE2
  1    A       GLN       37      1HE2
  1    A       GLN       37      2HE2
  1    A       GLN       38      1HE2
  1    A       GLN       38      2HE2
  1    A       GLN       53      1HE2
  1    A       GLN       53      2HE2
  1    A       ASN       56      1HD2
  1    A       ASN       56      2HD2
  1    A       GLN       60      1HE2
  1    A       GLN       60      2HE2
  1    A       GLN       65      1HE2
  1    A       GLN       65      2HE2
  1    A       GLN       70      1HE2
  1    A       GLN       70      2HE2
  1    A       ASN       78      1HD2
  1    A       ASN       78      2HD2
  1    A       ASN       79      1HD2
  1    A       ASN       79      2HD2
  1    A       GLN       85      1HE2
  1    A       GLN       85      2HE2
  1    A       GLN      100      1HE2
  1    A       GLN      100      2HE2
  1    A       GLN      103      1HE2
  1    A       GLN      103      2HE2
  1    A       GLN      114      1HE2
  1    A       GLN      114      2HE2
  1    A       GLN      115      1HE2
  1    A       GLN      115      2HE2
  2    A       GLN       13      1HE2
  2    A       GLN       13      2HE2
  2    A       GLN       37      1HE2
  2    A       GLN       37      2HE2
  2    A       GLN       38      1HE2
  2    A       GLN       38      2HE2
  2    A       GLN       53      1HE2
  2    A       GLN       53      2HE2
  2    A       ASN       56      1HD2
  2    A       ASN       56      2HD2
  2    A       GLN       60      1HE2
  2    A       GLN       60      2HE2
  2    A       GLN       65      1HE2
  2    A       GLN       65      2HE2
  2    A       GLN       70      1HE2
  2    A       GLN       70      2HE2
  2    A       ASN       78      1HD2
  2    A       ASN       78      2HD2
  2    A       ASN       79      1HD2
  2    A       ASN       79      2HD2
  2    A       GLN       85      1HE2
  2    A       GLN       85      2HE2
  2    A       GLN      100      1HE2
  2    A       GLN      100      2HE2
  2    A       GLN      103      1HE2
  2    A       GLN      103      2HE2
  2    A       GLN      114      1HE2
  2    A       GLN      114      2HE2
  2    A       GLN      115      1HE2
  2    A       GLN      115      2HE2
  3    A       GLN       13      1HE2
  3    A       GLN       13      2HE2
  3    A       GLN       37      1HE2
  3    A       GLN       37      2HE2
  3    A       GLN       38      1HE2
  3    A       GLN       38      2HE2
  3    A       GLN       53      1HE2
  3    A       GLN       53      2HE2
  3    A       ASN       56      1HD2
  3    A       ASN       56      2HD2
  3    A       GLN       60      1HE2
  3    A       GLN       60      2HE2
  3    A       GLN       65      1HE2
  3    A       GLN       65      2HE2
  3    A       GLN       70      1HE2
  3    A       GLN       70      2HE2
  3    A       ASN       78      1HD2
  3    A       ASN       78      2HD2
  3    A       ASN       79      1HD2
  3    A       ASN       79      2HD2
  3    A       GLN       85      1HE2
  3    A       GLN       85      2HE2
  3    A       GLN      100      1HE2
  3    A       GLN      100      2HE2
  3    A       GLN      103      1HE2
  3    A       GLN      103      2HE2
  3    A       GLN      114      1HE2
  3    A       GLN      114      2HE2
  3    A       GLN      115      1HE2
  3    A       GLN      115      2HE2
  4    A       GLN       13      1HE2
  4    A       GLN       13      2HE2
  4    A       GLN       37      1HE2
  4    A       GLN       37      2HE2
  4    A       GLN       38      1HE2
  4    A       GLN       38      2HE2
  4    A       GLN       53      1HE2
  4    A       GLN       53      2HE2
  4    A       ASN       56      1HD2
  4    A       ASN       56      2HD2
  4    A       GLN       60      1HE2
  4    A       GLN       60      2HE2
  4    A       GLN       65      1HE2
  4    A       GLN       65      2HE2
  4    A       GLN       70      1HE2
  4    A       GLN       70      2HE2
  4    A       ASN       78      1HD2
  4    A       ASN       78      2HD2
  4    A       ASN       79      1HD2
  4    A       ASN       79      2HD2
  4    A       GLN       85      1HE2
  4    A       GLN       85      2HE2
  4    A       GLN      100      1HE2
  4    A       GLN      100      2HE2
  4    A       GLN      103      1HE2
  4    A       GLN      103      2HE2
  4    A       GLN      114      1HE2
  4    A       GLN      114      2HE2
  4    A       GLN      115      1HE2
  4    A       GLN      115      2HE2
  5    A       GLN       13      1HE2
  5    A       GLN       13      2HE2
  5    A       GLN       37      1HE2
  5    A       GLN       37      2HE2
  5    A       GLN       38      1HE2
  5    A       GLN       38      2HE2
  5    A       GLN       53      1HE2
  5    A       GLN       53      2HE2
  5    A       ASN       56      1HD2
  5    A       ASN       56      2HD2
  5    A       GLN       60      1HE2
  5    A       GLN       60      2HE2
  5    A       GLN       65      1HE2
  5    A       GLN       65      2HE2
  5    A       GLN       70      1HE2
  5    A       GLN       70      2HE2
  5    A       ASN       78      1HD2
  5    A       ASN       78      2HD2
  5    A       ASN       79      1HD2
  5    A       ASN       79      2HD2
  5    A       GLN       85      1HE2
  5    A       GLN       85      2HE2
  5    A       GLN      100      1HE2
  5    A       GLN      100      2HE2
  5    A       GLN      103      1HE2
  5    A       GLN      103      2HE2
  5    A       GLN      114      1HE2
  5    A       GLN      114      2HE2
  5    A       GLN      115      1HE2
  5    A       GLN      115      2HE2
  6    A       GLN       13      1HE2
  6    A       GLN       13      2HE2
  6    A       GLN       37      1HE2
  6    A       GLN       37      2HE2
  6    A       GLN       38      1HE2
  6    A       GLN       38      2HE2
  6    A       GLN       53      1HE2
  6    A       GLN       53      2HE2
  6    A       ASN       56      1HD2
  6    A       ASN       56      2HD2
  6    A       GLN       60      1HE2
  6    A       GLN       60      2HE2
  6    A       GLN       65      1HE2
  6    A       GLN       65      2HE2
  6    A       GLN       70      1HE2
  6    A       GLN       70      2HE2
  6    A       ASN       78      1HD2
  6    A       ASN       78      2HD2
  6    A       ASN       79      1HD2
  6    A       ASN       79      2HD2
  6    A       GLN       85      1HE2
  6    A       GLN       85      2HE2
  6    A       GLN      100      1HE2
  6    A       GLN      100      2HE2
  6    A       GLN      103      1HE2
  6    A       GLN      103      2HE2
  6    A       GLN      114      1HE2
  6    A       GLN      114      2HE2
  6    A       GLN      115      1HE2
  6    A       GLN      115      2HE2
  7    A       GLN       13      1HE2
  7    A       GLN       13      2HE2
  7    A       GLN       37      1HE2
  7    A       GLN       37      2HE2
  7    A       GLN       38      1HE2
  7    A       GLN       38      2HE2
  7    A       GLN       53      1HE2
  7    A       GLN       53      2HE2
  7    A       ASN       56      1HD2
  7    A       ASN       56      2HD2
  7    A       GLN       60      1HE2
  7    A       GLN       60      2HE2
  7    A       GLN       65      1HE2
  7    A       GLN       65      2HE2
  7    A       GLN       70      1HE2
  7    A       GLN       70      2HE2
  7    A       ASN       78      1HD2
  7    A       ASN       78      2HD2
  7    A       ASN       79      1HD2
  7    A       ASN       79      2HD2
  7    A       GLN       85      1HE2
  7    A       GLN       85      2HE2
  7    A       GLN      100      1HE2
  7    A       GLN      100      2HE2
  7    A       GLN      103      1HE2
  7    A       GLN      103      2HE2
  7    A       GLN      114      1HE2
  7    A       GLN      114      2HE2
  7    A       GLN      115      1HE2
  7    A       GLN      115      2HE2
  8    A       GLN       13      1HE2
  8    A       GLN       13      2HE2
  8    A       GLN       37      1HE2
  8    A       GLN       37      2HE2
  8    A       GLN       38      1HE2
  8    A       GLN       38      2HE2
  8    A       GLN       53      1HE2
  8    A       GLN       53      2HE2
  8    A       ASN       56      1HD2
  8    A       ASN       56      2HD2
  8    A       GLN       60      1HE2
  8    A       GLN       60      2HE2
  8    A       GLN       65      1HE2
  8    A       GLN       65      2HE2
  8    A       GLN       70      1HE2
  8    A       GLN       70      2HE2
  8    A       ASN       78      1HD2
  8    A       ASN       78      2HD2
  8    A       ASN       79      1HD2
  8    A       ASN       79      2HD2
  8    A       GLN       85      1HE2
  8    A       GLN       85      2HE2
  8    A       GLN      100      1HE2
  8    A       GLN      100      2HE2
  8    A       GLN      103      1HE2
  8    A       GLN      103      2HE2
  8    A       GLN      114      1HE2
  8    A       GLN      114      2HE2
  8    A       GLN      115      1HE2
  8    A       GLN      115      2HE2
  9    A       GLN       13      1HE2
  9    A       GLN       13      2HE2
  9    A       GLN       37      1HE2
  9    A       GLN       37      2HE2
  9    A       GLN       38      1HE2
  9    A       GLN       38      2HE2
  9    A       GLN       53      1HE2
  9    A       GLN       53      2HE2
  9    A       ASN       56      1HD2
  9    A       ASN       56      2HD2
  9    A       GLN       60      1HE2
  9    A       GLN       60      2HE2
  9    A       GLN       65      1HE2
  9    A       GLN       65      2HE2
  9    A       GLN       70      1HE2
  9    A       GLN       70      2HE2
  9    A       ASN       78      1HD2
  9    A       ASN       78      2HD2
  9    A       ASN       79      1HD2
  9    A       ASN       79      2HD2
  9    A       GLN       85      1HE2
  9    A       GLN       85      2HE2
  9    A       GLN      100      1HE2
  9    A       GLN      100      2HE2
  9    A       GLN      103      1HE2
  9    A       GLN      103      2HE2
  9    A       GLN      114      1HE2
  9    A       GLN      114      2HE2
  9    A       GLN      115      1HE2
  9    A       GLN      115      2HE2
 10    A       GLN       13      1HE2
 10    A       GLN       13      2HE2
 10    A       GLN       37      1HE2
 10    A       GLN       37      2HE2
 10    A       GLN       38      1HE2
 10    A       GLN       38      2HE2
 10    A       GLN       53      1HE2
 10    A       GLN       53      2HE2
 10    A       ASN       56      1HD2
 10    A       ASN       56      2HD2
 10    A       GLN       60      1HE2
 10    A       GLN       60      2HE2
 10    A       GLN       65      1HE2
 10    A       GLN       65      2HE2
 10    A       GLN       70      1HE2
 10    A       GLN       70      2HE2
 10    A       ASN       78      1HD2
 10    A       ASN       78      2HD2
 10    A       ASN       79      1HD2
 10    A       ASN       79      2HD2
 10    A       GLN       85      1HE2
 10    A       GLN       85      2HE2
 10    A       GLN      100      1HE2
 10    A       GLN      100      2HE2
 10    A       GLN      103      1HE2
 10    A       GLN      103      2HE2
 10    A       GLN      114      1HE2
 10    A       GLN      114      2HE2
 10    A       GLN      115      1HE2
 10    A       GLN      115      2HE2
 11    A       GLN       13      1HE2
 11    A       GLN       13      2HE2
 11    A       GLN       37      1HE2
 11    A       GLN       37      2HE2
 11    A       GLN       38      1HE2
 11    A       GLN       38      2HE2
 11    A       GLN       53      1HE2
 11    A       GLN       53      2HE2
 11    A       ASN       56      1HD2
 11    A       ASN       56      2HD2
 11    A       GLN       60      1HE2
 11    A       GLN       60      2HE2
 11    A       GLN       65      1HE2
 11    A       GLN       65      2HE2
 11    A       GLN       70      1HE2
 11    A       GLN       70      2HE2
 11    A       ASN       78      1HD2
 11    A       ASN       78      2HD2
 11    A       ASN       79      1HD2
 11    A       ASN       79      2HD2
 11    A       GLN       85      1HE2
 11    A       GLN       85      2HE2
 11    A       GLN      100      1HE2
 11    A       GLN      100      2HE2
 11    A       GLN      103      1HE2
 11    A       GLN      103      2HE2
 11    A       GLN      114      1HE2
 11    A       GLN      114      2HE2
 11    A       GLN      115      1HE2
 11    A       GLN      115      2HE2
 12    A       GLN       13      1HE2
 12    A       GLN       13      2HE2
 12    A       GLN       37      1HE2
 12    A       GLN       37      2HE2
 12    A       GLN       38      1HE2
 12    A       GLN       38      2HE2
 12    A       GLN       53      1HE2
 12    A       GLN       53      2HE2
 12    A       ASN       56      1HD2
 12    A       ASN       56      2HD2
 12    A       GLN       60      1HE2
 12    A       GLN       60      2HE2
 12    A       GLN       65      1HE2
 12    A       GLN       65      2HE2
 12    A       GLN       70      1HE2
 12    A       GLN       70      2HE2
 12    A       ASN       78      1HD2
 12    A       ASN       78      2HD2
 12    A       ASN       79      1HD2
 12    A       ASN       79      2HD2
 12    A       GLN       85      1HE2
 12    A       GLN       85      2HE2
 12    A       GLN      100      1HE2
 12    A       GLN      100      2HE2
 12    A       GLN      103      1HE2
 12    A       GLN      103      2HE2
 12    A       GLN      114      1HE2
 12    A       GLN      114      2HE2
 12    A       GLN      115      1HE2
 12    A       GLN      115      2HE2
 13    A       GLN       13      1HE2
 13    A       GLN       13      2HE2
 13    A       GLN       37      1HE2
 13    A       GLN       37      2HE2
 13    A       GLN       38      1HE2
 13    A       GLN       38      2HE2
 13    A       GLN       53      1HE2
 13    A       GLN       53      2HE2
 13    A       ASN       56      1HD2
 13    A       ASN       56      2HD2
 13    A       GLN       60      1HE2
 13    A       GLN       60      2HE2
 13    A       GLN       65      1HE2
 13    A       GLN       65      2HE2
 13    A       GLN       70      1HE2
 13    A       GLN       70      2HE2
 13    A       ASN       78      1HD2
 13    A       ASN       78      2HD2
 13    A       ASN       79      1HD2
 13    A       ASN       79      2HD2
 13    A       GLN       85      1HE2
 13    A       GLN       85      2HE2
 13    A       GLN      100      1HE2
 13    A       GLN      100      2HE2
 13    A       GLN      103      1HE2
 13    A       GLN      103      2HE2
 13    A       GLN      114      1HE2
 13    A       GLN      114      2HE2
 13    A       GLN      115      1HE2
 13    A       GLN      115      2HE2
 14    A       GLN       13      1HE2
 14    A       GLN       13      2HE2
 14    A       GLN       37      1HE2
 14    A       GLN       37      2HE2
 14    A       GLN       38      1HE2
 14    A       GLN       38      2HE2
 14    A       GLN       53      1HE2
 14    A       GLN       53      2HE2
 14    A       ASN       56      1HD2
 14    A       ASN       56      2HD2
 14    A       GLN       60      1HE2
 14    A       GLN       60      2HE2
 14    A       GLN       65      1HE2
 14    A       GLN       65      2HE2
 14    A       GLN       70      1HE2
 14    A       GLN       70      2HE2
 14    A       ASN       78      1HD2
 14    A       ASN       78      2HD2
 14    A       ASN       79      1HD2
 14    A       ASN       79      2HD2
 14    A       GLN       85      1HE2
 14    A       GLN       85      2HE2
 14    A       GLN      100      1HE2
 14    A       GLN      100      2HE2
 14    A       GLN      103      1HE2
 14    A       GLN      103      2HE2
 14    A       GLN      114      1HE2
 14    A       GLN      114      2HE2
 14    A       GLN      115      1HE2
 14    A       GLN      115      2HE2
 15    A       GLN       13      1HE2
 15    A       GLN       13      2HE2
 15    A       GLN       37      1HE2
 15    A       GLN       37      2HE2
 15    A       GLN       38      1HE2
 15    A       GLN       38      2HE2
 15    A       GLN       53      1HE2
 15    A       GLN       53      2HE2
 15    A       ASN       56      1HD2
 15    A       ASN       56      2HD2
 15    A       GLN       60      1HE2
 15    A       GLN       60      2HE2
 15    A       GLN       65      1HE2
 15    A       GLN       65      2HE2
 15    A       GLN       70      1HE2
 15    A       GLN       70      2HE2
 15    A       ASN       78      1HD2
 15    A       ASN       78      2HD2
 15    A       ASN       79      1HD2
 15    A       ASN       79      2HD2
 15    A       GLN       85      1HE2
 15    A       GLN       85      2HE2
 15    A       GLN      100      1HE2
 15    A       GLN      100      2HE2
 15    A       GLN      103      1HE2
 15    A       GLN      103      2HE2
 15    A       GLN      114      1HE2
 15    A       GLN      114      2HE2
 15    A       GLN      115      1HE2
 15    A       GLN      115      2HE2
 16    A       GLN       13      1HE2
 16    A       GLN       13      2HE2
 16    A       GLN       37      1HE2
 16    A       GLN       37      2HE2
 16    A       GLN       38      1HE2
 16    A       GLN       38      2HE2
 16    A       GLN       53      1HE2
 16    A       GLN       53      2HE2
 16    A       ASN       56      1HD2
 16    A       ASN       56      2HD2
 16    A       GLN       60      1HE2
 16    A       GLN       60      2HE2
 16    A       GLN       65      1HE2
 16    A       GLN       65      2HE2
 16    A       GLN       70      1HE2
 16    A       GLN       70      2HE2
 16    A       ASN       78      1HD2
 16    A       ASN       78      2HD2
 16    A       ASN       79      1HD2
 16    A       ASN       79      2HD2
 16    A       GLN       85      1HE2
 16    A       GLN       85      2HE2
 16    A       GLN      100      1HE2
 16    A       GLN      100      2HE2
 16    A       GLN      103      1HE2
 16    A       GLN      103      2HE2
 16    A       GLN      114      1HE2
 16    A       GLN      114      2HE2
 16    A       GLN      115      1HE2
 16    A       GLN      115      2HE2
 17    A       GLN       13      1HE2
 17    A       GLN       13      2HE2
 17    A       GLN       37      1HE2
 17    A       GLN       37      2HE2
 17    A       GLN       38      1HE2
 17    A       GLN       38      2HE2
 17    A       GLN       53      1HE2
 17    A       GLN       53      2HE2
 17    A       ASN       56      1HD2
 17    A       ASN       56      2HD2
 17    A       GLN       60      1HE2
 17    A       GLN       60      2HE2
 17    A       GLN       65      1HE2
 17    A       GLN       65      2HE2
 17    A       GLN       70      1HE2
 17    A       GLN       70      2HE2
 17    A       ASN       78      1HD2
 17    A       ASN       78      2HD2
 17    A       ASN       79      1HD2
 17    A       ASN       79      2HD2
 17    A       GLN       85      1HE2
 17    A       GLN       85      2HE2
 17    A       GLN      100      1HE2
 17    A       GLN      100      2HE2
 17    A       GLN      103      1HE2
 17    A       GLN      103      2HE2
 17    A       GLN      114      1HE2
 17    A       GLN      114      2HE2
 17    A       GLN      115      1HE2
 17    A       GLN      115      2HE2
 18    A       GLN       13      1HE2
 18    A       GLN       13      2HE2
 18    A       GLN       37      1HE2
 18    A       GLN       37      2HE2
 18    A       GLN       38      1HE2
 18    A       GLN       38      2HE2
 18    A       GLN       53      1HE2
 18    A       GLN       53      2HE2
 18    A       ASN       56      1HD2
 18    A       ASN       56      2HD2
 18    A       GLN       60      1HE2
 18    A       GLN       60      2HE2
 18    A       GLN       65      1HE2
 18    A       GLN       65      2HE2
 18    A       GLN       70      1HE2
 18    A       GLN       70      2HE2
 18    A       ASN       78      1HD2
 18    A       ASN       78      2HD2
 18    A       ASN       79      1HD2
 18    A       ASN       79      2HD2
 18    A       GLN       85      1HE2
 18    A       GLN       85      2HE2
 18    A       GLN      100      1HE2
 18    A       GLN      100      2HE2
 18    A       GLN      103      1HE2
 18    A       GLN      103      2HE2
 18    A       GLN      114      1HE2
 18    A       GLN      114      2HE2
 18    A       GLN      115      1HE2
 18    A       GLN      115      2HE2

OTHER IMPORTANT ISSUES



==> The following residues have missing atoms:                        

     RES MOD#C SEQ          ATOMS

     HIS(  1 A   3)         HE2 
     HIS(  1 A   4)         HD1 
     HIS(  1 A   5)         HE2 
     HIS(  1 A   6)         HD1 
     HIS(  1 A   7)         HE2 
     HIS(  1 A   8)         HE2 
     HIS(  1 A  10)         HD1 
     ASP(  1 A  23)         HD2 
     GLU(  1 A  30)         HE2 
     GLU(  1 A  31)         HE2 
     HIS(  1 A  35)         HD1 
     ASP(  1 A  36)         HD2 
     HIS(  1 A  40)         HD1 
     ASP(  1 A  52)         HD2 
     ASP(  1 A  76)         HD2 
     ASP(  1 A  80)         HD2 
     ASP(  1 A  84)         HD2 
     GLU(  1 A  87)         HE2 
     HIS(  2 A   3)         HD1 
     HIS(  2 A   4)         HE2 
     HIS(  2 A   5)         HD1 
     HIS(  2 A   6)         HD1 
     HIS(  2 A   7)         HD1 
     HIS(  2 A   8)         HD1 
     HIS(  2 A  10)         HD1 
     ASP(  2 A  23)         HD2 
     GLU(  2 A  30)         HE2 
     GLU(  2 A  31)         HE2 
     HIS(  2 A  35)         HD1 
     ASP(  2 A  36)         HD2 
     HIS(  2 A  40)         HD1 
     ASP(  2 A  52)         HD2 
     ASP(  2 A  76)         HD2 
     ASP(  2 A  80)         HD2 
     ASP(  2 A  84)         HD2 
     GLU(  2 A  87)         HE2 
     HIS(  3 A   3)         HD1 
     HIS(  3 A   4)         HE2 
     HIS(  3 A   5)         HE2 
     HIS(  3 A   6)         HD1 
     HIS(  3 A   7)         HD1 
     HIS(  3 A   8)         HE2 
     HIS(  3 A  10)         HD1 
     ASP(  3 A  23)         HD2 
     GLU(  3 A  30)         HE2 
     GLU(  3 A  31)         HE2 
     HIS(  3 A  35)         HD1 
     ASP(  3 A  36)         HD2 
     HIS(  3 A  40)         HD1 
     ASP(  3 A  52)         HD2 
     ASP(  3 A  76)         HD2 
     ASP(  3 A  80)         HD2 
     ASP(  3 A  84)         HD2 
     GLU(  3 A  87)         HE2 
     HIS(  4 A   3)         HD1 
     HIS(  4 A   4)         HE2 
     HIS(  4 A   5)         HE2 
     HIS(  4 A   6)         HD1 
     HIS(  4 A   7)         HD1 
     HIS(  4 A   8)         HE2 
     HIS(  4 A  10)         HD1 
     ASP(  4 A  23)         HD2 
     GLU(  4 A  30)         HE2 
     GLU(  4 A  31)         HE2 
     HIS(  4 A  35)         HD1 
     ASP(  4 A  36)         HD2 
     HIS(  4 A  40)         HD1 
     ASP(  4 A  52)         HD2 
     ASP(  4 A  76)         HD2 
     ASP(  4 A  80)         HD2 
     ASP(  4 A  84)         HD2 
     GLU(  4 A  87)         HE2 
     HIS(  5 A   3)         HD1 
     HIS(  5 A   4)         HE2 
     HIS(  5 A   5)         HD1 
     HIS(  5 A   6)         HD1 
     HIS(  5 A   7)         HD1 
     HIS(  5 A   8)         HE2 
     HIS(  5 A  10)         HD1 
     ASP(  5 A  23)         HD2 
     GLU(  5 A  30)         HE2 
     GLU(  5 A  31)         HE2 
     HIS(  5 A  35)         HD1 
     ASP(  5 A  36)         HD2 
     HIS(  5 A  40)         HD1 
     ASP(  5 A  52)         HD2 
     ASP(  5 A  76)         HD2 
     ASP(  5 A  80)         HD2 
     ASP(  5 A  84)         HD2 
     GLU(  5 A  87)         HE2 
     HIS(  6 A   3)         HD1 
     HIS(  6 A   4)         HD1 
     HIS(  6 A   5)         HE2 
     HIS(  6 A   6)         HD1 
     HIS(  6 A   7)         HE2 
     HIS(  6 A   8)         HE2 
     HIS(  6 A  10)         HD1 
     ASP(  6 A  23)         HD2 
     GLU(  6 A  30)         HE2 
     GLU(  6 A  31)         HE2 
     HIS(  6 A  35)         HD1 
     ASP(  6 A  36)         HD2 
     HIS(  6 A  40)         HD1 
     ASP(  6 A  52)         HD2 
     ASP(  6 A  76)         HD2 
     ASP(  6 A  80)         HD2 
     ASP(  6 A  84)         HD2 
     GLU(  6 A  87)         HE2 
     HIS(  7 A   3)         HD1 
     HIS(  7 A   4)         HE2 
     HIS(  7 A   5)         HE2 
     HIS(  7 A   6)         HD1 
     HIS(  7 A   7)         HE2 
     HIS(  7 A   8)         HE2 
     HIS(  7 A  10)         HD1 
     ASP(  7 A  23)         HD2 
     GLU(  7 A  30)         HE2 
     GLU(  7 A  31)         HE2 
     HIS(  7 A  35)         HD1 
     ASP(  7 A  36)         HD2 
     HIS(  7 A  40)         HD1 
     ASP(  7 A  52)         HD2 
     ASP(  7 A  76)         HD2 
     ASP(  7 A  80)         HD2 
     ASP(  7 A  84)         HD2 
     GLU(  7 A  87)         HE2 
     HIS(  8 A   3)         HE2 
     HIS(  8 A   4)         HE2 
     HIS(  8 A   5)         HD1 
     HIS(  8 A   6)         HE2 
     HIS(  8 A   7)         HD1 
     HIS(  8 A   8)         HD1 
     HIS(  8 A  10)         HD1 
     ASP(  8 A  23)         HD2 
     GLU(  8 A  30)         HE2 
     GLU(  8 A  31)         HE2 
     HIS(  8 A  35)         HD1 
     ASP(  8 A  36)         HD2 
     HIS(  8 A  40)         HD1 
     ASP(  8 A  52)         HD2 
     ASP(  8 A  76)         HD2 
     ASP(  8 A  80)         HD2 
     ASP(  8 A  84)         HD2 
     GLU(  8 A  87)         HE2 
     HIS(  9 A   3)         HD1 
     HIS(  9 A   4)         HD1 
     HIS(  9 A   5)         HE2 
     HIS(  9 A   6)         HD1 
     HIS(  9 A   7)         HD1 
     HIS(  9 A   8)         HE2 
     HIS(  9 A  10)         HD1 
     ASP(  9 A  23)         HD2 
     GLU(  9 A  30)         HE2 
     GLU(  9 A  31)         HE2 
     HIS(  9 A  35)         HD1 
     ASP(  9 A  36)         HD2 
     HIS(  9 A  40)         HD1 
     ASP(  9 A  52)         HD2 
     ASP(  9 A  76)         HD2 
     ASP(  9 A  80)         HD2 
     ASP(  9 A  84)         HD2 
     GLU(  9 A  87)         HE2 
     HIS( 10 A   3)         HE2 
     HIS( 10 A   4)         HE2 
     HIS( 10 A   5)         HD1 
     HIS( 10 A   6)         HD1 
     HIS( 10 A   7)         HE2 
     HIS( 10 A   8)         HD1 
     HIS( 10 A  10)         HD1 
     ASP( 10 A  23)         HD2 
     GLU( 10 A  30)         HE2 
     GLU( 10 A  31)         HE2 
     HIS( 10 A  35)         HD1 
     ASP( 10 A  36)         HD2 
     HIS( 10 A  40)         HD1 
     ASP( 10 A  52)         HD2 
     ASP( 10 A  76)         HD2 
     ASP( 10 A  80)         HD2 
     ASP( 10 A  84)         HD2 
     GLU( 10 A  87)         HE2 
     HIS( 11 A   3)         HE2 
     HIS( 11 A   4)         HE2 
     HIS( 11 A   5)         HD1 
     HIS( 11 A   6)         HD1 
     HIS( 11 A   7)         HD1 
     HIS( 11 A   8)         HE2 
     HIS( 11 A  10)         HD1 
     ASP( 11 A  23)         HD2 
     GLU( 11 A  30)         HE2 
     GLU( 11 A  31)         HE2 
     HIS( 11 A  35)         HD1 
     ASP( 11 A  36)         HD2 
     HIS( 11 A  40)         HD1 
     ASP( 11 A  52)         HD2 
     ASP( 11 A  76)         HD2 
     ASP( 11 A  80)         HD2 
     ASP( 11 A  84)         HD2 
     GLU( 11 A  87)         HE2 
     HIS( 12 A   3)         HE2 
     HIS( 12 A   4)         HE2 
     HIS( 12 A   5)         HD1 
     HIS( 12 A   6)         HE2 
     HIS( 12 A   7)         HE2 
     HIS( 12 A   8)         HD1 
     HIS( 12 A  10)         HD1 
     ASP( 12 A  23)         HD2 
     GLU( 12 A  30)         HE2 
     GLU( 12 A  31)         HE2 
     HIS( 12 A  35)         HD1 
     ASP( 12 A  36)         HD2 
     HIS( 12 A  40)         HD1 
     ASP( 12 A  52)         HD2 
     ASP( 12 A  76)         HD2 
     ASP( 12 A  80)         HD2 
     ASP( 12 A  84)         HD2 
     GLU( 12 A  87)         HE2 
     HIS( 13 A   3)         HD1 
     HIS( 13 A   4)         HD1 
     HIS( 13 A   5)         HE2 
     HIS( 13 A   6)         HD1 
     HIS( 13 A   7)         HD1 
     HIS( 13 A   8)         HE2 
     HIS( 13 A  10)         HD1 
     ASP( 13 A  23)         HD2 
     GLU( 13 A  30)         HE2 
     GLU( 13 A  31)         HE2 
     HIS( 13 A  35)         HD1 
     ASP( 13 A  36)         HD2 
     HIS( 13 A  40)         HD1 
     ASP( 13 A  52)         HD2 
     ASP( 13 A  76)         HD2 
     ASP( 13 A  80)         HD2 
     ASP( 13 A  84)         HD2 
     GLU( 13 A  87)         HE2 
     HIS( 14 A   3)         HE2 
     HIS( 14 A   4)         HD1 
     HIS( 14 A   5)         HE2 
     HIS( 14 A   6)         HE2 
     HIS( 14 A   7)         HE2 
     HIS( 14 A   8)         HD1 
     HIS( 14 A  10)         HD1 
     ASP( 14 A  23)         HD2 
     GLU( 14 A  30)         HE2 
     GLU( 14 A  31)         HE2 
     HIS( 14 A  35)         HD1 
     ASP( 14 A  36)         HD2 
     HIS( 14 A  40)         HD1 
     ASP( 14 A  52)         HD2 
     ASP( 14 A  76)         HD2 
     ASP( 14 A  80)         HD2 
     ASP( 14 A  84)         HD2 
     GLU( 14 A  87)         HE2 
     HIS( 15 A   3)         HE2 
     HIS( 15 A   4)         HD1 
     HIS( 15 A   5)         HE2 
     HIS( 15 A   6)         HE2 
     HIS( 15 A   7)         HE2 
     HIS( 15 A   8)         HD1 
     HIS( 15 A  10)         HD1 
     ASP( 15 A  23)         HD2 
     GLU( 15 A  30)         HE2 
     GLU( 15 A  31)         HE2 
     HIS( 15 A  35)         HD1 
     ASP( 15 A  36)         HD2 
     HIS( 15 A  40)         HD1 
     ASP( 15 A  52)         HD2 
     ASP( 15 A  76)         HD2 
     ASP( 15 A  80)         HD2 
     ASP( 15 A  84)         HD2 
     GLU( 15 A  87)         HE2 
     HIS( 16 A   3)         HD1 
     HIS( 16 A   4)         HE2 
     HIS( 16 A   5)         HE2 
     HIS( 16 A   6)         HD1 
     HIS( 16 A   7)         HD1 
     HIS( 16 A   8)         HE2 
     HIS( 16 A  10)         HD1 
     ASP( 16 A  23)         HD2 
     GLU( 16 A  30)         HE2 
     GLU( 16 A  31)         HE2 
     HIS( 16 A  35)         HD1 
     ASP( 16 A  36)         HD2 
     HIS( 16 A  40)         HD1 
     ASP( 16 A  52)         HD2 
     ASP( 16 A  76)         HD2 
     ASP( 16 A  80)         HD2 
     ASP( 16 A  84)         HD2 
     GLU( 16 A  87)         HE2 
     HIS( 17 A   3)         HD1 
     HIS( 17 A   4)         HD1 
     HIS( 17 A   5)         HE2 
     HIS( 17 A   6)         HE2 
     HIS( 17 A   7)         HD1 
     HIS( 17 A   8)         HE2 
     HIS( 17 A  10)         HD1 
     ASP( 17 A  23)         HD2 
     GLU( 17 A  30)         HE2 
     GLU( 17 A  31)         HE2 
     HIS( 17 A  35)         HD1 
     ASP( 17 A  36)         HD2 
     HIS( 17 A  40)         HD1 
     ASP( 17 A  52)         HD2 
     ASP( 17 A  76)         HD2 
     ASP( 17 A  80)         HD2 
     ASP( 17 A  84)         HD2 
     GLU( 17 A  87)         HE2 
     HIS( 18 A   3)         HD1 
     HIS( 18 A   4)         HD1 
     HIS( 18 A   5)         HE2 
     HIS( 18 A   6)         HD1 
     HIS( 18 A   7)         HD1 
     HIS( 18 A   8)         HE2 
     HIS( 18 A  10)         HD1 
     ASP( 18 A  23)         HD2 
     GLU( 18 A  30)         HE2 
     GLU( 18 A  31)         HE2 
     HIS( 18 A  35)         HD1 
     ASP( 18 A  36)         HD2 
     HIS( 18 A  40)         HD1 
     ASP( 18 A  52)         HD2 
     ASP( 18 A  76)         HD2 
     ASP( 18 A  80)         HD2 
     ASP( 18 A  84)         HD2 
     GLU( 18 A  87)         HE2 
==> The following residues have extra atoms:                         
    
     RES MOD#C SEQ          ATOMS
    
     SER(  1 A 121)          O2 
     SER(  2 A 121)          O2 
     SER(  3 A 121)          O2 
     SER(  4 A 121)          O2 
     SER(  5 A 121)          O2 
     SER(  6 A 121)          O2 
     SER(  7 A 121)          O2 
     SER(  8 A 121)          O2 
     SER(  9 A 121)          O2 
     SER( 10 A 121)          O2 
     SER( 11 A 121)          O2 
     SER( 12 A 121)          O2 
     SER( 13 A 121)          O2 
     SER( 14 A 121)          O2 
     SER( 15 A 121)          O2 
     SER( 16 A 121)          O2 
     SER( 17 A 121)          O2 
     SER( 18 A 121)          O2 


HR3646E_R3Cons_em_bcr3.pdb: Missing KEYWDS records

HR3646E_R3Cons_em_bcr3.pdb: Missing TITLE record