Detailed results of BER31_R3Cons_em_bcr3 by PSVS

Output from PDBStat

Constraints analysis

table of NOE constraints


# -------------- SUMMARY OF RESTRAINTS  --------------- 
# TOTAL NUMBER OF NOE RESTRAINTS            :  1059
#      INTRA-RESIDUE RESTRAINTS   (I=J)     :   164
#      SEQUENTIAL    RESTRAINTS   (I-J)=1   :   237
#          BACKBONE-BACKBONE                :        96
#          BACKBONE-SIDE CHAIN              :         7
#          SIDE CHAIN-SIDE CHAIN            :       134
#      MEDIUM RANGE  RESTRAINTS  1<(I-J)<5  :   200
#          BACKBONE-BACKBONE                :        32
#          BACKBONE-SIDE CHAIN              :        47
#          SIDE CHAIN-SIDE CHAIN            :       121
#      LONG  RANGE   RESTRAINTS   (I-J)>=5  :   458
# TOTAL HYDROGEN BOND RESTRAINTS            :     0
#      LONG RANGE H-BOND RESTR.   (I-J)>=5  :     0
# DISULFIDE RESTRAINTS                      :     0
# INTRA-CHAIN RESTRAINTS                    :  1059
# 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
 LYS     2      0    0.0    0.0    0.0    0.0    0.0
 LEU     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
 THR     5      0    0.0    0.0    0.0    0.0    0.0
 ASP     6      0    0.0    0.0    0.0    0.0    0.0
 PRO     7      0    0.0    0.0    0.0    0.0    0.0
 ALA     8      0    0.0    0.0    0.0    0.0    0.0
 THR     9      0    0.0    0.0    0.0    0.0    0.0
 ALA    10      0    0.0    0.0    0.0    0.0    0.0
 LEU    11      4    6.0    2.0    0.0    4.0    0.0
 ASN    12      0    3.0    2.5    0.0    0.5    0.0
 THR    13      1    6.5    2.0    2.0    2.5    0.0
 VAL    14      2   14.0    3.0    3.0    8.0    0.0
 THR    15      1    7.0    2.5    2.0    2.5    0.0
 ALA    16      0    4.5    1.5    1.0    2.0    0.0
 TYR    17      2    5.5    1.0    2.0    2.5    0.0
 GLY    18      0    1.0    1.0    0.0    0.0    0.0
 ASP    19      2    2.0    1.5    0.5    0.0    0.0
 GLY    20      0    1.5    1.5    0.0    0.0    0.0
 TYR    21      4    4.0    1.5    1.0    1.5    0.0
 ILE    22      3   14.0    2.5    0.5   11.0    0.0
 GLU    23      2   10.5    4.0    2.0    4.5    0.0
 VAL    24      1   14.0    3.5    1.0    9.5    0.0
 ASN    25      0    2.5    1.5    0.0    1.0    0.0
 GLN    26      1    2.5    0.5    1.0    1.0    0.0
 VAL    27      3    4.0    1.5    2.5    0.0    0.0
 ARG    28      0    4.5    2.0    0.0    2.5    0.0
 PHE    29      2   13.0    1.5    5.0    6.5    0.0
 SER    30      0    2.0    1.5    0.0    0.5    0.0
 HIS    31      0    4.5    2.5    1.5    0.5    0.0
 ALA    32      0   11.5    3.0    0.0    8.5    0.0
 ILE    33      3   16.5    3.0    4.0    9.5    0.0
 ALA    34      0    9.5    2.5    0.0    7.0    0.0
 PHE    35      1   14.0    2.5    1.0   10.5    0.0
 ALA    36      0    8.0    2.0    1.5    4.5    0.0
 PRO    37      0    3.5    0.5    0.0    3.0    0.0
 GLU    38      1    4.5    3.0    1.5    0.0    0.0
 GLY    39      0    3.0    3.0    0.0    0.0    0.0
 PRO    40      0    2.0    2.0    0.0    0.0    0.0
 VAL    41      4   10.5    3.0    0.0    7.5    0.0
 ALA    42      0    5.0    2.0    0.0    3.0    0.0
 SER    43      0    2.5    0.5    0.0    2.0    0.0
 TRP    44      2   19.0    0.5    3.0   15.5    0.0
 PRO    45      0    1.5    1.0    0.0    0.5    0.0
 VAL    46      3   18.0    2.5    4.5   11.0    0.0
 GLN    47      1    4.5    3.5    0.0    1.0    0.0
 ARG    48      2    6.0    1.5    3.0    1.5    0.0
 PRO    49      0    6.0    1.0    2.0    3.0    0.0
 ALA    50      0    3.0    1.5    1.5    0.0    0.0
 ASP    51      0    4.5    1.0    1.0    2.5    0.0
 ILE    52      3   16.5    2.0    4.5   10.0    0.0
 THR    53      1    8.5    2.5    5.5    0.5    0.0
 ALA    54      0    6.5    1.5    2.0    3.0    0.0
 SER    55      2    6.5    2.5    4.0    0.0    0.0
 LEU    56      5   15.5    3.0    8.0    4.5    0.0
 LEU    57      4   10.0    1.5    2.5    6.0    0.0
 GLN    58      3    9.5    2.0    2.5    5.0    0.0
 GLN    59      2    7.0    3.0    3.0    1.0    0.0
 ALA    60      0    6.0    2.0    0.5    3.5    0.0
 ALA    61      0   10.0    0.5    2.0    7.5    0.0
 GLY    62      0    1.0    0.5    0.5    0.0    0.0
 LEU    63      4    7.5    3.0    1.0    3.5    0.0
 ALA    64      0    3.0    2.5    0.0    0.5    0.0
 GLU    65      0    0.0    0.0    0.0    0.0    0.0
 VAL    66      0    0.0    0.0    0.0    0.0    0.0
 VAL    67      0    0.0    0.0    0.0    0.0    0.0
 ARG    68      0    0.0    0.0    0.0    0.0    0.0
 ASP    69      0    0.0    0.0    0.0    0.0    0.0
 PRO    70      0    0.0    0.0    0.0    0.0    0.0
 LEU    71      0    0.0    0.0    0.0    0.0    0.0
 ALA    72      0    0.0    0.0    0.0    0.0    0.0
 PHE    73      0    0.0    0.0    0.0    0.0    0.0
 LEU    74      0    0.0    0.0    0.0    0.0    0.0
 ASP    75      0    0.0    0.0    0.0    0.0    0.0
 GLU    76      0    0.0    0.0    0.0    0.0    0.0
 PRO    77      0    0.0    0.0    0.0    0.0    0.0
 GLU    78      0    0.0    0.0    0.0    0.0    0.0
 ALA    79      0    0.0    0.0    0.0    0.0    0.0
 GLY    80      0    0.0    0.0    0.0    0.0    0.0
 ALA    81      0    0.0    0.0    0.0    0.0    0.0
 GLY    82      0    0.0    0.0    0.0    0.0    0.0
 ALA    83      0    0.0    0.0    0.0    0.0    0.0
 ARG    84      0    0.0    0.0    0.0    0.0    0.0
 PRO    85      0    0.0    0.0    0.0    0.0    0.0
 ALA    86      0    1.0    0.5    0.5    0.0    0.0
 ASN    87      0    1.5    1.5    0.0    0.0    0.0
 ALA    88      0    5.0    1.5    0.5    3.0    0.0
 PRO    89      0    9.0    1.0    0.5    7.5    0.0
 GLU    90      0    2.5    2.0    0.0    0.5    0.0
 VAL    91      3   15.5    3.5    3.0    9.0    0.0
 LEU    92      2   20.5    3.5    0.5   16.5    0.0
 LEU    93      5   22.5    3.5    2.5   16.5    0.0
 VAL    94      2   16.5    3.0    1.5   12.0    0.0
 GLY    95      0    4.5    1.0    0.0    3.5    0.0
 THR    96      1   10.0    0.5    2.5    7.0    0.0
 GLY    97      0    3.0    0.5    0.5    2.0    0.0
 ARG    98      0    3.0    2.0    0.5    0.5    0.0
 ARG    99      0    4.5    3.5    1.0    0.0    0.0
 GLN   100      3    3.5    2.5    0.5    0.5    0.0
 HIS   101      0    6.0    1.5    1.0    3.5    0.0
 LEU   102      0    1.5    1.0    0.0    0.5    0.0
 LEU   103      5    9.5    2.5    1.5    5.5    0.0
 GLY   104      0    2.0    2.0    0.0    0.0    0.0
 PRO   105      0    3.0    1.0    2.0    0.0    0.0
 GLU   106      2    3.5    2.5    1.0    0.0    0.0
 GLN   107      2    4.5    2.5    0.5    1.5    0.0
 VAL   108      2    9.0    2.5    4.5    2.0    0.0
 ARG   109      2    4.5    2.0    2.0    0.5    0.0
 PRO   110      0    7.0    2.0    3.0    2.0    0.0
 LEU   111      4   17.0    3.0    4.5    9.5    0.0
 LEU   112      4    7.0    3.0    3.0    1.0    0.0
 ALA   113      0    4.0    2.0    2.0    0.0    0.0
 MET   114      6   11.5    1.0    6.5    4.0    0.0
 GLY   115      0    1.5    1.0    0.5    0.0    0.0
 VAL   116      3   13.5    2.5    3.0    8.0    0.0
 GLY   117      0    6.5    3.0    0.0    3.5    0.0
 VAL   118      3    9.5    3.0    1.0    5.5    0.0
 GLU   119      1   12.5    4.0    1.0    7.5    0.0
 ALA   120      0   10.5    2.5    1.0    7.0    0.0
 MET   121      7   12.5    2.0    3.0    7.5    0.0
 ASP   122      0    4.5    3.0    1.5    0.0    0.0
 THR   123      1    9.5    3.0    1.0    5.5    0.0
 GLN   124      2    5.0    3.0    1.5    0.5    0.0
 ALA   125      0    6.0    2.0    4.0    0.0    0.0
 ALA   126      0   10.0    1.0    2.5    6.5    0.0
 ALA   127      0   11.0    1.0    3.5    6.5    0.0
 ARG   128      0    5.0    2.0    3.0    0.0    0.0
 THR   129      1   10.5    3.0    5.0    2.5    0.0
 TYR   130      0   13.0    3.0    4.0    6.0    0.0
 ASN   131      0    5.5    2.0    3.0    0.5    0.0
 ILE   132      7    7.5    2.5    5.0    0.0    0.0
 LEU   133      5   10.5    2.5    6.0    2.0    0.0
 MET   134      5   12.5    1.5    3.5    7.5    0.0
 ALA   135      0    3.5    1.0    2.0    0.5    0.0
 GLU   136      2    5.5    1.0    4.5    0.0    0.0
 GLY   137      0    2.0    1.5    0.5    0.0    0.0
 ARG   138      2    3.0    1.5    1.0    0.5    0.0
 ARG   139      2    3.5    2.0    0.0    1.5    0.0
 VAL   140      2   15.5    3.5    1.5   10.5    0.0
 VAL   141      2   21.0    4.0    1.0   16.0    0.0
 VAL   142      2   14.5    3.0    3.0    8.5    0.0
 ALA   143      0   12.0    1.5    1.0    9.5    0.0
 LEU   144      4   12.0    0.0    2.0   10.0    0.0
 LEU   145      1   15.5    0.0    0.0   15.5    0.0
 PRO   146      0    6.0    1.5    0.0    4.5    0.0
 ASP   147      0    3.0    2.5    0.5    0.0    0.0
 GLY   148      0    1.0    1.0    0.0    0.0    0.0
 ASP   149      0    0.5    0.0    0.5    0.0    0.0
 SER   150      0    0.0    0.0    0.0    0.0    0.0
 LEU   151      0    0.0    0.0    0.0    0.0    0.0
 GLU   152      0    0.0    0.0    0.0    0.0    0.0
 HIS   153      0    0.0    0.0    0.0    0.0    0.0
 HIS   154      0    0.0    0.0    0.0    0.0    0.0
 HIS   155      0    0.0    0.0    0.0    0.0    0.0
 HIS   156      0    0.0    0.0    0.0    0.0    0.0
 HIS   157      0    0.0    0.0    0.0    0.0    0.0
 HIS   158      0    0.0    0.0    0.0    0.0    0.0
# TOTAL        164  895.0  237.0  200.0  458.0    0.0

# TOTAL NUMBER OF RESTRAINTS  (CHECKING): 1059.0

List of conformationally-resticting NOE constraints

 assign ((resid  15 and name HN   ))   ( (resid  16 and name HN   )) assign ((resid  18 and name HN   ))   ( (resid  19 and name HN   )) assign ((resid  19 and name HN   ))   ( (resid  20 and name HN   )) assign ((resid  20 and name HN   ))   ( (resid  21 and name HN   )) assign ((resid  25 and name HN   ))   ( (resid  26 and name HN   )) assign ((resid  30 and name HN   ))   ( (resid  31 and name HN   )) assign ((resid  31 and name HN   ))   ( (resid  32 and name HN   )) assign ((resid  32 and name HN   ))   ( (resid  33 and name HN   )) assign ((resid  38 and name HN   ))   ( (resid  39 and name HN   )) assign ((resid  42 and name HN   ))   ( (resid  43 and name HN   )) assign ((resid  47 and name HN   ))   ( (resid  48 and name HN   )) assign ((resid  50 and name HN   ))   ( (resid  51 and name HN   )) assign ((resid  51 and name HN   ))   ( (resid  52 and name HN   )) assign ((resid  54 and name HN   ))   ( (resid  55 and name HN   )) assign ((resid  55 and name HN   ))   ( (resid  56 and name HN   )) assign ((resid  56 and name HN   ))   ( (resid  57 and name HN   )) assign ((resid  57 and name HN   ))   ( (resid  58 and name HN   )) assign ((resid  58 and name HN   ))   ( (resid  59 and name HN   )) assign ((resid  59 and name HN   ))   ( (resid  60 and name HN   )) assign ((resid  60 and name HN   ))   ( (resid  61 and name HN   )) assign ((resid  62 and name HN   ))   ( (resid  63 and name HN   )) assign ((resid  63 and name HN   ))   ( (resid  64 and name HN   )) assign ((resid  86 and name HN   ))   ( (resid  87 and name HN   )) assign ((resid  87 and name HN   ))   ( (resid  88 and name HN   )) assign ((resid  90 and name HN   ))   ( (resid  91 and name HN   )) assign ((resid  96 and name HN   ))   ( (resid  97 and name HN   )) assign ((resid  98 and name HN   ))   ( (resid  99 and name HN   )) assign ((resid 106 and name HN   ))   ( (resid 107 and name HN   )) assign ((resid 107 and name HN   ))   ( (resid 108 and name HN   )) assign ((resid 108 and name HN   ))   ( (resid 109 and name HN   )) assign ((resid 111 and name HN   ))   ( (resid 112 and name HN   )) assign ((resid 112 and name HN   ))   ( (resid 113 and name HN   )) assign ((resid 113 and name HN   ))   ( (resid 114 and name HN   )) assign ((resid 114 and name HN   ))   ( (resid 115 and name HN   )) assign ((resid 115 and name HN   ))   ( (resid 116 and name HN   )) assign ((resid 123 and name HN   ))   ( (resid 124 and name HN   )) assign ((resid 124 and name HN   ))   ( (resid 125 and name HN   )) assign ((resid 125 and name HN   ))   ( (resid 126 and name HN   )) assign ((resid 126 and name HN   ))   ( (resid 127 and name HN   )) assign ((resid 127 and name HN   ))   ( (resid 128 and name HN   )) assign ((resid 128 and name HN   ))   ( (resid 129 and name HN   )) assign ((resid 129 and name HN   ))   ( (resid 130 and name HN   )) assign ((resid 130 and name HN   ))   ( (resid 131 and name HN   )) assign ((resid 131 and name HN   ))   ( (resid 132 and name HN   )) assign ((resid 132 and name HN   ))   ( (resid 133 and name HN   )) assign ((resid 133 and name HN   ))   ( (resid 134 and name HN   )) assign ((resid 134 and name HN   ))   ( (resid 135 and name HN   )) assign ((resid 136 and name HN   ))   ( (resid 137 and name HN   )) assign ((resid 137 and name HN   ))   ( (resid 138 and name HN   )) assign ((resid 113 and name HN   ))   ( (resid 115 and name HN   )) assign ((resid 114 and name HN   ))   ( (resid 116 and name HN   )) assign ((resid  11 and name HA   ))   ( (resid  12 and name HN   )) assign ((resid  12 and name HA   ))   ( (resid  13 and name HN   )) assign ((resid  13 and name HA   ))   ( (resid  14 and name HN   )) assign ((resid  14 and name HA   ))   ( (resid  15 and name HN   )) assign ((resid  16 and name HA   ))   ( (resid  17 and name HN   )) assign ((resid  19 and name HA   ))   ( (resid  20 and name HN   )) assign ((resid  22 and name HA   ))   ( (resid  23 and name HN   )) assign ((resid  23 and name HA   ))   ( (resid  24 and name HN   )) assign ((resid  24 and name HA   ))   ( (resid  25 and name HN   )) assign ((resid  27 and name HA   ))   ( (resid  28 and name HN   )) assign ((resid  28 and name HA   ))   ( (resid  29 and name HN   )) assign ((resid  29 and name HA   ))   ( (resid  30 and name HN   )) assign ((resid  31 and name HA   ))   ( (resid  32 and name HN   )) assign ((resid  32 and name HA   ))   ( (resid  33 and name HN   )) assign ((resid  33 and name HA   ))   ( (resid  34 and name HN   )) assign ((resid  34 and name HA   ))   ( (resid  35 and name HN   )) assign ((resid  35 and name HA   ))   ( (resid  36 and name HN   )) assign ((resid  38 and name HA   ))   ( (resid  39 and name HN   )) assign ((resid  40 and name HA   ))   ( (resid  41 and name HN   )) assign ((resid  41 and name HA   ))   ( (resid  42 and name HN   )) assign ((resid  45 and name HA   ))   ( (resid  46 and name HN   )) assign ((resid  46 and name HA   ))   ( (resid  47 and name HN   )) assign ((resid  52 and name HA   ))   ( (resid  53 and name HN   )) assign ((resid  87 and name HA   ))   ( (resid  88 and name HN   )) assign ((resid  89 and name HA   ))   ( (resid  90 and name HN   )) assign ((resid  91 and name HA   ))   ( (resid  92 and name HN   )) assign ((resid  93 and name HA   ))   ( (resid  94 and name HN   )) assign ((resid  94 and name HA   ))   ( (resid  95 and name HN   )) assign ((resid  99 and name HA   ))   ( (resid 100 and name HN   )) assign ((resid 100 and name HA   ))   ( (resid 101 and name HN   )) assign ((resid 101 and name HA   ))   ( (resid 102 and name HN   )) assign ((resid 102 and name HA   ))   ( (resid 103 and name HN   )) assign ((resid 103 and name HA   ))   ( (resid 104 and name HN   )) assign ((resid 116 and name HA   ))   ( (resid 117 and name HN   )) assign ((resid 117 and name HA1  ))   ( (resid 118 and name HN   )) assign ((resid 117 and name HA2  ))   ( (resid 118 and name HN   )) assign ((resid 118 and name HA   ))   ( (resid 119 and name HN   )) assign ((resid 119 and name HA   ))   ( (resid 120 and name HN   )) assign ((resid 120 and name HA   ))   ( (resid 121 and name HN   )) assign ((resid 121 and name HA   ))   ( (resid 122 and name HN   )) assign ((resid 122 and name HA   ))   ( (resid 123 and name HN   )) assign ((resid 136 and name HA   ))   ( (resid 137 and name HN   )) assign ((resid 138 and name HA   ))   ( (resid 139 and name HN   )) assign ((resid 139 and name HA   ))   ( (resid 140 and name HN   )) assign ((resid 140 and name HA   ))   ( (resid 141 and name HN   )) assign ((resid 141 and name HA   ))   ( (resid 142 and name HN   )) assign ((resid 142 and name HA   ))   ( (resid 143 and name HN   )) assign ((resid 146 and name HA   ))   ( (resid 147 and name HN   )) assign ((resid 147 and name HA   ))   ( (resid 148 and name HN   )) assign ((resid  19 and name HA   ))   ( (resid  21 and name HN   )) assign ((resid  29 and name HA   ))   ( (resid  31 and name HN   )) assign ((resid  46 and name HA   ))   ( (resid  48 and name HN   )) assign ((resid  53 and name HA   ))   ( (resid  55 and name HN   )) assign ((resid  86 and name HA   ))   ( (resid  88 and name HN   )) assign ((resid  97 and name HA#  ))   ( (resid  99 and name HN   )) assign ((resid 147 and name HA   ))   ( (resid 149 and name HN   )) assign ((resid  49 and name HA   ))   ( (resid  52 and name HN   )) assign ((resid  54 and name HA   ))   ( (resid  57 and name HN   )) assign ((resid  55 and name HA   ))   ( (resid  58 and name HN   )) assign ((resid  59 and name HA   ))   ( (resid  62 and name HN   )) assign ((resid 105 and name HA   ))   ( (resid 108 and name HN   )) assign ((resid 109 and name HA   ))   ( (resid 112 and name HN   )) assign ((resid 110 and name HA   ))   ( (resid 113 and name HN   )) assign ((resid 111 and name HA   ))   ( (resid 114 and name HN   )) assign ((resid 125 and name HA   ))   ( (resid 128 and name HN   )) assign ((resid 126 and name HA   ))   ( (resid 129 and name HN   )) assign ((resid 127 and name HA   ))   ( (resid 130 and name HN   )) assign ((resid 128 and name HA   ))   ( (resid 131 and name HN   )) assign ((resid 133 and name HA   ))   ( (resid 136 and name HN   )) assign ((resid 134 and name HA   ))   ( (resid 137 and name HN   )) assign ((resid  54 and name HA   ))   ( (resid  58 and name HN   )) assign ((resid 112 and name HA   ))   ( (resid 116 and name HN   )) assign ((resid 125 and name HA   ))   ( (resid 129 and name HN   )) assign ((resid 126 and name HA   ))   ( (resid 130 and name HN   )) assign ((resid 127 and name HA   ))   ( (resid 131 and name HN   )) assign ((resid 129 and name HA   ))   ( (resid 133 and name HN   )) assign ((resid 134 and name HA   ))   ( (resid 138 and name HN   )) assign ((resid  11 and name HB1  ))   ( (resid  12 and name HN   )) assign ((resid  11 and name HB2  ))   ( (resid  12 and name HN   )) assign ((resid  13 and name HB   ))   ( (resid  14 and name HN   )) assign ((resid  15 and name HB   ))   ( (resid  16 and name HN   )) assign ((resid  21 and name HB1  ))   ( (resid  22 and name HN   )) assign ((resid  21 and name HB2  ))   ( (resid  22 and name HN   )) assign ((resid  22 and name HB   ))   ( (resid  23 and name HN   )) assign ((resid  23 and name HB1  ))   ( (resid  24 and name HN   )) assign ((resid  23 and name HB2  ))   ( (resid  24 and name HN   )) assign ((resid  31 and name HB1  ))   ( (resid  32 and name HN   )) assign ((resid  31 and name HB2  ))   ( (resid  32 and name HN   )) assign ((resid  33 and name HB   ))   ( (resid  34 and name HN   )) assign ((resid  35 and name HB1  ))   ( (resid  36 and name HN   )) assign ((resid  35 and name HB2  ))   ( (resid  36 and name HN   )) assign ((resid  38 and name HB1  ))   ( (resid  39 and name HN   )) assign ((resid  38 and name HB2  ))   ( (resid  39 and name HN   )) assign ((resid  40 and name HB1  ))   ( (resid  41 and name HN   )) assign ((resid  40 and name HB2  ))   ( (resid  41 and name HN   )) assign ((resid  46 and name HB   ))   ( (resid  47 and name HN   )) assign ((resid  47 and name HB1  ))   ( (resid  48 and name HN   )) assign ((resid  47 and name HB2  ))   ( (resid  48 and name HN   )) assign ((resid  49 and name HB1  ))   ( (resid  50 and name HN   )) assign ((resid  49 and name HB2  ))   ( (resid  50 and name HN   )) assign ((resid  52 and name HB   ))   ( (resid  53 and name HN   )) assign ((resid  53 and name HB   ))   ( (resid  54 and name HN   )) assign ((resid  55 and name HB1  ))   ( (resid  56 and name HN   )) assign ((resid  55 and name HB2  ))   ( (resid  56 and name HN   )) assign ((resid  58 and name HB1  ))   ( (resid  59 and name HN   )) assign ((resid  58 and name HB2  ))   ( (resid  59 and name HN   )) assign ((resid  59 and name HB1  ))   ( (resid  60 and name HN   )) assign ((resid  59 and name HB2  ))   ( (resid  60 and name HN   )) assign ((resid  63 and name HB1  ))   ( (resid  64 and name HN   )) assign ((resid  63 and name HB2  ))   ( (resid  64 and name HN   )) assign ((resid  90 and name HB#  ))   ( (resid  91 and name HN   )) assign ((resid  91 and name HB   ))   ( (resid  92 and name HN   )) assign ((resid  92 and name HB1  ))   ( (resid  93 and name HN   )) assign ((resid  92 and name HB2  ))   ( (resid  93 and name HN   )) assign ((resid  93 and name HB1  ))   ( (resid  94 and name HN   )) assign ((resid  93 and name HB2  ))   ( (resid  94 and name HN   )) assign ((resid  98 and name HB1  ))   ( (resid  99 and name HN   )) assign ((resid  98 and name HB2  ))   ( (resid  99 and name HN   )) assign ((resid  99 and name HB1  ))   ( (resid 100 and name HN   )) assign ((resid  99 and name HB2  ))   ( (resid 100 and name HN   )) assign ((resid 103 and name HB1  ))   ( (resid 104 and name HN   )) assign ((resid 103 and name HB2  ))   ( (resid 104 and name HN   )) assign ((resid 105 and name HB1  ))   ( (resid 106 and name HN   )) assign ((resid 105 and name HB2  ))   ( (resid 106 and name HN   )) assign ((resid 106 and name HB1  ))   ( (resid 107 and name HN   )) assign ((resid 106 and name HB2  ))   ( (resid 107 and name HN   )) assign ((resid 112 and name HB#  ))   ( (resid 113 and name HN   )) assign ((resid 116 and name HB   ))   ( (resid 117 and name HN   )) assign ((resid 118 and name HB   ))   ( (resid 119 and name HN   )) assign ((resid 119 and name HB1  ))   ( (resid 120 and name HN   )) assign ((resid 119 and name HB2  ))   ( (resid 120 and name HN   )) assign ((resid 122 and name HB1  ))   ( (resid 123 and name HN   )) assign ((resid 122 and name HB2  ))   ( (resid 123 and name HN   )) assign ((resid 123 and name HB   ))   ( (resid 124 and name HN   )) assign ((resid 124 and name HB#  ))   ( (resid 125 and name HN   )) assign ((resid 128 and name HB1  ))   ( (resid 129 and name HN   )) assign ((resid 128 and name HB2  ))   ( (resid 129 and name HN   )) assign ((resid 129 and name HB   ))   ( (resid 130 and name HN   )) assign ((resid 130 and name HB1  ))   ( (resid 131 and name HN   )) assign ((resid 130 and name HB2  ))   ( (resid 131 and name HN   )) assign ((resid 132 and name HB   ))   ( (resid 133 and name HN   )) assign ((resid 140 and name HB   ))   ( (resid 141 and name HN   )) assign ((resid 141 and name HB   ))   ( (resid 142 and name HN   )) assign ((resid 142 and name HB   ))   ( (resid 143 and name HN   )) assign ((resid 147 and name HB#  ))   ( (resid 148 and name HN   )) assign ((resid  11 and name HD2# ))   ( (resid  12 and name HN   )) assign ((resid  13 and name HG2# ))   ( (resid  14 and name HN   )) assign ((resid  14 and name HG1# ))   ( (resid  15 and name HN   )) assign ((resid  14 and name HG2# ))   ( (resid  15 and name HN   )) assign ((resid  17 and name HD#  ))   ( (resid  18 and name HN   )) assign ((resid  22 and name HG2# ))   ( (resid  23 and name HN   )) assign ((resid  23 and name HG1  ))   ( (resid  24 and name HN   )) assign ((resid  23 and name HG2  ))   ( (resid  24 and name HN   )) assign ((resid  24 and name HG1# ))   ( (resid  25 and name HN   )) assign ((resid  27 and name HG1# ))   ( (resid  28 and name HN   )) assign ((resid  27 and name HG2# ))   ( (resid  28 and name HN   )) assign ((resid  29 and name HD#  ))   ( (resid  30 and name HN   )) assign ((resid  33 and name HD1# ))   ( (resid  34 and name HN   )) assign ((resid  33 and name HG2# ))   ( (resid  34 and name HN   )) assign ((resid  37 and name HD#  ))   ( (resid  38 and name HN   )) assign ((resid  38 and name HG#  ))   ( (resid  39 and name HN   )) assign ((resid  41 and name HG1# ))   ( (resid  42 and name HN   )) assign ((resid  41 and name HG2# ))   ( (resid  42 and name HN   )) assign ((resid  46 and name HG1# ))   ( (resid  47 and name HN   )) assign ((resid  46 and name HG2# ))   ( (resid  47 and name HN   )) assign ((resid  52 and name HG2# ))   ( (resid  53 and name HN   )) assign ((resid  53 and name HG2# ))   ( (resid  54 and name HN   )) assign ((resid  55 and name HG   ))   ( (resid  56 and name HN   )) assign ((resid  56 and name HD1# ))   ( (resid  57 and name HN   )) assign ((resid  63 and name HD1# ))   ( (resid  64 and name HN   )) assign ((resid  63 and name HD2# ))   ( (resid  64 and name HN   )) assign ((resid  91 and name HG1# ))   ( (resid  92 and name HN   )) assign ((resid  91 and name HG2# ))   ( (resid  92 and name HN   )) assign ((resid  92 and name HD1# ))   ( (resid  93 and name HN   )) assign ((resid  93 and name HD2# ))   ( (resid  94 and name HN   )) assign ((resid  94 and name HG1# ))   ( (resid  95 and name HN   )) assign ((resid 100 and name HG#  ))   ( (resid 101 and name HN   )) assign ((resid 103 and name HD2# ))   ( (resid 104 and name HN   )) assign ((resid 107 and name HG#  ))   ( (resid 108 and name HN   )) assign ((resid 108 and name HG1# ))   ( (resid 109 and name HN   )) assign ((resid 108 and name HG2# ))   ( (resid 109 and name HN   )) assign ((resid 110 and name HD1  ))   ( (resid 111 and name HN   )) assign ((resid 110 and name HD2  ))   ( (resid 111 and name HN   )) assign ((resid 110 and name HG#  ))   ( (resid 111 and name HN   )) assign ((resid 111 and name HD2# ))   ( (resid 112 and name HN   )) assign ((resid 111 and name HG   ))   ( (resid 112 and name HN   )) assign ((resid 112 and name HD1# ))   ( (resid 113 and name HN   )) assign ((resid 116 and name HG1# ))   ( (resid 117 and name HN   )) assign ((resid 116 and name HG2# ))   ( (resid 117 and name HN   )) assign ((resid 118 and name HG1# ))   ( (resid 119 and name HN   )) assign ((resid 118 and name HG2# ))   ( (resid 119 and name HN   )) assign ((resid 119 and name HG#  ))   ( (resid 120 and name HN   )) assign ((resid 121 and name HE#  ))   ( (resid 122 and name HN   )) assign ((resid 121 and name HG#  ))   ( (resid 122 and name HN   )) assign ((resid 123 and name HG2# ))   ( (resid 124 and name HN   )) assign ((resid 124 and name HG#  ))   ( (resid 125 and name HN   )) assign ((resid 129 and name HG2# ))   ( (resid 130 and name HN   )) assign ((resid 132 and name HD1# ))   ( (resid 133 and name HN   )) assign ((resid 132 and name HG2# ))   ( (resid 133 and name HN   )) assign ((resid 134 and name HE#  ))   ( (resid 135 and name HN   )) assign ((resid 138 and name HG#  ))   ( (resid 139 and name HN   )) assign ((resid 139 and name HG#  ))   ( (resid 140 and name HN   )) assign ((resid 140 and name HG1# ))   ( (resid 141 and name HN   )) assign ((resid 140 and name HG2# ))   ( (resid 141 and name HN   )) assign ((resid 141 and name HG1# ))   ( (resid 142 and name HN   )) assign ((resid 142 and name HG2# ))   ( (resid 143 and name HN   )) assign ((resid 146 and name HD#  ))   ( (resid 147 and name HN   )) assign ((resid 146 and name HG#  ))   ( (resid 147 and name HN   )) assign ((resid  35 and name HN   ))   ( (resid  36 and name HB#  )) assign ((resid  39 and name HN   ))   ( (resid  40 and name HD#  )) assign ((resid  88 and name HN   ))   ( (resid  89 and name HD#  )) assign ((resid  90 and name HN   ))   ( (resid  91 and name HG1# )) assign ((resid  98 and name HN   ))   ( (resid  99 and name HB#  )) assign ((resid 109 and name HN   ))   ( (resid 110 and name HD#  )) assign ((resid 140 and name HN   ))   ( (resid 141 and name HG2# )) assign ((resid  29 and name HB#  ))   ( (resid  31 and name HN   )) assign ((resid  36 and name HB#  ))   ( (resid  38 and name HN   )) assign ((resid  44 and name HB#  ))   ( (resid  46 and name HN   )) assign ((resid  48 and name HB#  ))   ( (resid  50 and name HN   )) assign ((resid  49 and name HB#  ))   ( (resid  51 and name HN   )) assign ((resid  50 and name HB#  ))   ( (resid  52 and name HN   )) assign ((resid  53 and name HB   ))   ( (resid  55 and name HN   )) assign ((resid  61 and name HB#  ))   ( (resid  63 and name HN   )) assign ((resid  89 and name HB#  ))   ( (resid  91 and name HN   )) assign ((resid  96 and name HB   ))   ( (resid  98 and name HN   )) assign ((resid 133 and name HB#  ))   ( (resid 135 and name HN   )) assign ((resid  13 and name HG2# ))   ( (resid  15 and name HN   )) assign ((resid  14 and name HG1# ))   ( (resid  16 and name HN   )) assign ((resid  46 and name HG1# ))   ( (resid  48 and name HN   )) assign ((resid  46 and name HG2# ))   ( (resid  48 and name HN   )) assign ((resid  53 and name HG2# ))   ( (resid  55 and name HN   )) assign ((resid  91 and name HG2# ))   ( (resid  93 and name HN   )) assign ((resid 118 and name HG1# ))   ( (resid 120 and name HN   )) assign ((resid  96 and name HB   ))   ( (resid  99 and name HN   )) assign ((resid  14 and name HG1# ))   ( (resid  17 and name HN   )) assign ((resid  23 and name HG#  ))   ( (resid  26 and name HN   )) assign ((resid  53 and name HG2# ))   ( (resid  56 and name HN   )) assign ((resid 108 and name HB   ))   ( (resid 112 and name HN   )) assign ((resid  23 and name HG#  ))   ( (resid  27 and name HN   )) assign ((resid  52 and name HG2# ))   ( (resid  56 and name HN   )) assign ((resid 132 and name HG2# ))   ( (resid 136 and name HN   )) assign ((resid  54 and name HA   ))   ( (resid  57 and name HB#  )) assign ((resid  55 and name HA   ))   ( (resid  58 and name HB1  )) assign ((resid  55 and name HA   ))   ( (resid  58 and name HB2  )) assign ((resid  56 and name HA   ))   ( (resid  59 and name HB#  )) assign ((resid  57 and name HA   ))   ( (resid  60 and name HB#  )) assign ((resid  58 and name HA   ))   ( (resid  61 and name HB#  )) assign ((resid 106 and name HA   ))   ( (resid 109 and name HB#  )) assign ((resid 110 and name HA   ))   ( (resid 113 and name HB#  )) assign ((resid 111 and name HA   ))   ( (resid 114 and name HB#  )) assign ((resid 123 and name HA   ))   ( (resid 126 and name HB#  )) assign ((resid 124 and name HA   ))   ( (resid 127 and name HB#  )) assign ((resid 125 and name HA   ))   ( (resid 128 and name HB#  )) assign ((resid 126 and name HA   ))   ( (resid 129 and name HB   )) assign ((resid 127 and name HA   ))   ( (resid 130 and name HB1  )) assign ((resid 127 and name HA   ))   ( (resid 130 and name HB2  )) assign ((resid 128 and name HA   ))   ( (resid 131 and name HB#  )) assign ((resid 129 and name HA   ))   ( (resid 132 and name HB   )) assign ((resid 130 and name HA   ))   ( (resid 133 and name HB#  )) assign ((resid 131 and name HA   ))   ( (resid 134 and name HB#  )) assign ((resid 132 and name HA   ))   ( (resid 135 and name HB#  )) assign ((resid 133 and name HA   ))   ( (resid 136 and name HB#  )) assign ((resid  49 and name HA   ))   ( (resid  52 and name HD1# )) assign ((resid  54 and name HA   ))   ( (resid  57 and name HD1# )) assign ((resid  56 and name HA   ))   ( (resid  59 and name HG#  )) assign ((resid 105 and name HA   ))   ( (resid 108 and name HG2# )) assign ((resid 108 and name HA   ))   ( (resid 111 and name HD1# )) assign ((resid 108 and name HA   ))   ( (resid 111 and name HG   )) assign ((resid 109 and name HA   ))   ( (resid 112 and name HD1# )) assign ((resid 111 and name HA   ))   ( (resid 114 and name HE#  )) assign ((resid 111 and name HA   ))   ( (resid 114 and name HG#  )) assign ((resid 129 and name HA   ))   ( (resid 132 and name HD1# )) assign ((resid 131 and name HA   ))   ( (resid 134 and name HE#  )) assign ((resid 133 and name HA   ))   ( (resid 136 and name HG#  )) assign ((resid  22 and name HN   ))   ( (resid  29 and name HN   )) assign ((resid  24 and name HN   ))   ( (resid  27 and name HN   )) assign ((resid  33 and name HN   ))   ( (resid 144 and name HN   )) assign ((resid  34 and name HN   ))   ( (resid  42 and name HN   )) assign ((resid  53 and name HN   ))   ( (resid  56 and name HN   )) assign ((resid  91 and name HN   ))   ( (resid 141 and name HN   )) assign ((resid  92 and name HN   ))   ( (resid 117 and name HN   )) assign ((resid  92 and name HN   ))   ( (resid 119 and name HN   )) assign ((resid  93 and name HN   ))   ( (resid 141 and name HN   )) assign ((resid  94 and name HN   ))   ( (resid 119 and name HN   )) assign ((resid  94 and name HN   ))   ( (resid 121 and name HN   )) assign ((resid  97 and name HN   ))   ( (resid 123 and name HN   )) assign ((resid 122 and name HN   ))   ( (resid 126 and name HN   )) assign ((resid  23 and name HA   ))   ( (resid  29 and name HN   )) assign ((resid  33 and name HA   ))   ( (resid  42 and name HN   )) assign ((resid  34 and name HA   ))   ( (resid 144 and name HN   )) assign ((resid  36 and name HA   ))   ( (resid 142 and name HN   )) assign ((resid  91 and name HA   ))   ( (resid 117 and name HN   )) assign ((resid  93 and name HA   ))   ( (resid 119 and name HN   )) assign ((resid  94 and name HA   ))   ( (resid 143 and name HN   )) assign ((resid  15 and name HN   ))   ( (resid  24 and name HA   )) assign ((resid  33 and name HN   ))   ( (resid 145 and name HA   )) assign ((resid  35 and name HN   ))   ( (resid 143 and name HA   )) assign ((resid  54 and name HN   ))   ( (resid 107 and name HA   )) assign ((resid  91 and name HN   ))   ( (resid 140 and name HA   )) assign ((resid  92 and name HN   ))   ( (resid 118 and name HA   )) assign ((resid  93 and name HN   ))   ( (resid 142 and name HA   )) assign ((resid  94 and name HN   ))   ( (resid 120 and name HA   )) assign ((resid  95 and name HN   ))   ( (resid 144 and name HA   )) assign ((resid  14 and name HA   ))   ( (resid  24 and name HA   )) assign ((resid  21 and name HA   ))   ( (resid  30 and name HA   )) assign ((resid  23 and name HA   ))   ( (resid  28 and name HA   )) assign ((resid  32 and name HA   ))   ( (resid 145 and name HA   )) assign ((resid  33 and name HA   ))   ( (resid  43 and name HA   )) assign ((resid  34 and name HA   ))   ( (resid 143 and name HA   )) assign ((resid  35 and name HA   ))   ( (resid  41 and name HA   )) assign ((resid  36 and name HA   ))   ( (resid 141 and name HA   )) assign ((resid  95 and name HA1  ))   ( (resid 123 and name HA   )) assign ((resid  95 and name HA2  ))   ( (resid 123 and name HA   )) assign ((resid  14 and name HG2# ))   ( (resid  23 and name HN   )) assign ((resid  15 and name HG2# ))   ( (resid  25 and name HN   )) assign ((resid  15 and name HG2# ))   ( (resid  26 and name HN   )) assign ((resid  16 and name HB#  ))   ( (resid  23 and name HN   )) assign ((resid  22 and name HD1# ))   ( (resid  33 and name HN   )) assign ((resid  32 and name HB#  ))   ( (resid  46 and name HN   )) assign ((resid  33 and name HG2# ))   ( (resid  42 and name HN   )) assign ((resid  34 and name HB#  ))   ( (resid 144 and name HN   )) assign ((resid  35 and name HB#  ))   ( (resid  42 and name HN   )) assign ((resid  36 and name HB#  ))   ( (resid 140 and name HN   )) assign ((resid  36 and name HB#  ))   ( (resid 142 and name HN   )) assign ((resid  44 and name HE1  ))   ( (resid  60 and name HN   )) assign ((resid  52 and name HG2# ))   ( (resid  57 and name HN   )) assign ((resid  54 and name HB#  ))   ( (resid 109 and name HN   )) assign ((resid  58 and name HG#  ))   ( (resid 111 and name HN   )) assign ((resid  89 and name HB#  ))   ( (resid 141 and name HN   )) assign ((resid  91 and name HB   ))   ( (resid 117 and name HN   )) assign ((resid  91 and name HG1# ))   ( (resid 141 and name HN   )) assign ((resid  91 and name HG2# ))   ( (resid 117 and name HN   )) assign ((resid  91 and name HG2# ))   ( (resid 119 and name HN   )) assign ((resid  92 and name HD1# ))   ( (resid 141 and name HN   )) assign ((resid  92 and name HD1# ))   ( (resid 143 and name HN   )) assign ((resid  92 and name HD2# ))   ( (resid 119 and name HN   )) assign ((resid  93 and name HD1# ))   ( (resid 130 and name HN   )) assign ((resid  93 and name HD2# ))   ( (resid 119 and name HN   )) assign ((resid  94 and name HG2# ))   ( (resid 119 and name HN   )) assign ((resid  94 and name HG2# ))   ( (resid 143 and name HN   )) assign ((resid  96 and name HB   ))   ( (resid 101 and name HN   )) assign ((resid  96 and name HG2# ))   ( (resid 101 and name HN   )) assign ((resid 108 and name HG1# ))   ( (resid 118 and name HN   )) assign ((resid 111 and name HB#  ))   ( (resid 116 and name HN   )) assign ((resid 112 and name HD2# ))   ( (resid 118 and name HN   )) assign ((resid 121 and name HB#  ))   ( (resid 126 and name HN   )) assign ((resid 121 and name HE#  ))   ( (resid 130 and name HN   )) assign ((resid  13 and name HN   ))   ( (resid  24 and name HG1# )) assign ((resid  14 and name HN   ))   ( (resid 134 and name HE#  )) assign ((resid  16 and name HN   ))   ( (resid  23 and name HB#  )) assign ((resid  24 and name HN   ))   ( (resid  29 and name HD#  )) assign ((resid  24 and name HN   ))   ( (resid  29 and name HE#  )) assign ((resid  34 and name HN   ))   ( (resid  41 and name HG1# )) assign ((resid  34 and name HN   ))   ( (resid  42 and name HB#  )) assign ((resid  35 and name HN   ))   ( (resid 141 and name HG1# )) assign ((resid  35 and name HN   ))   ( (resid 142 and name HG1# )) assign ((resid  36 and name HN   ))   ( (resid 141 and name HG1# )) assign ((resid  48 and name HN   ))   ( (resid 145 and name HD2# )) assign ((resid  48 and name HN   ))   ( (resid  51 and name HB#  )) assign ((resid  53 and name HN   ))   ( (resid  56 and name HB1  )) assign ((resid  53 and name HN   ))   ( (resid  56 and name HB2  )) assign ((resid  53 and name HN   ))   ( (resid  56 and name HD1# )) assign ((resid  58 and name HN   ))   ( (resid 111 and name HD1# )) assign ((resid  88 and name HN   ))   ( (resid 116 and name HG2# )) assign ((resid  90 and name HN   ))   ( (resid 139 and name HB#  )) assign ((resid  92 and name HN   ))   ( (resid 116 and name HG1# )) assign ((resid  92 and name HN   ))   ( (resid 118 and name HG2# )) assign ((resid  93 and name HN   ))   ( (resid 140 and name HG2# )) assign ((resid  93 and name HN   ))   ( (resid 141 and name HG1# )) assign ((resid  93 and name HN   ))   ( (resid 142 and name HG2# )) assign ((resid  93 and name HN   ))   ( (resid 143 and name HB#  )) assign ((resid  94 and name HN   ))   ( (resid 120 and name HB#  )) assign ((resid  94 and name HN   ))   ( (resid 121 and name HE#  )) assign ((resid  94 and name HN   ))   ( (resid 143 and name HB#  )) assign ((resid  95 and name HN   ))   ( (resid 143 and name HB#  )) assign ((resid  95 and name HN   ))   ( (resid 144 and name HD2# )) assign ((resid  97 and name HN   ))   ( (resid 123 and name HB   )) assign ((resid  97 and name HN   ))   ( (resid 123 and name HG2# )) assign ((resid  97 and name HN   ))   ( (resid 145 and name HB#  )) assign ((resid 103 and name HN   ))   ( (resid 120 and name HB#  )) assign ((resid 122 and name HN   ))   ( (resid 125 and name HB#  )) assign ((resid 127 and name HN   ))   ( (resid 144 and name HD2# )) assign ((resid 129 and name HN   ))   ( (resid 132 and name HD1# )) assign ((resid 133 and name HN   ))   ( (resid 140 and name HG1# )) assign ((resid 134 and name HN   ))   ( (resid 140 and name HG1# )) assign ((resid  11 and name HD2# ))   ( (resid 135 and name HA   )) assign ((resid  11 and name HD2# ))   ( (resid  37 and name HA   )) assign ((resid  12 and name HB#  ))   ( (resid  37 and name HA   )) assign ((resid  13 and name HA   ))   ( (resid 134 and name HE#  )) assign ((resid  13 and name HG2# ))   ( (resid 131 and name HA   )) assign ((resid  13 and name HG2# ))   ( (resid  15 and name HA   )) assign ((resid  14 and name HA   ))   ( (resid  22 and name HG2# )) assign ((resid  14 and name HA   ))   ( (resid  24 and name HG2# )) assign ((resid  14 and name HG1# ))   ( (resid  16 and name HA   )) assign ((resid  14 and name HG2# ))   ( (resid  24 and name HA   )) assign ((resid  14 and name HG## ))   ( (resid 127 and name HA   )) assign ((resid  15 and name HG2# ))   ( (resid  25 and name HA   )) assign ((resid  17 and name HB#  ))   ( (resid  22 and name HA   )) assign ((resid  17 and name HD#  ))   ( (resid 124 and name HA   )) assign ((resid  22 and name HD1# ))   ( (resid 144 and name HA   )) assign ((resid  23 and name HB#  ))   ( (resid  28 and name HA   )) assign ((resid  23 and name HG#  ))   ( (resid  26 and name HA   )) assign ((resid  23 and name HG#  ))   ( (resid  28 and name HA   )) assign ((resid  32 and name HA   ))   ( (resid 146 and name HD1  )) assign ((resid  32 and name HA   ))   ( (resid 146 and name HD2  )) assign ((resid  32 and name HB#  ))   ( (resid 145 and name HA   )) assign ((resid  33 and name HA   ))   ( (resid  44 and name HB#  )) assign ((resid  33 and name HG2# ))   ( (resid  43 and name HA   )) assign ((resid  34 and name HA   ))   ( (resid 141 and name HG1# )) assign ((resid  34 and name HA   ))   ( (resid 143 and name HB#  )) assign ((resid  34 and name HB#  ))   ( (resid 143 and name HA   )) assign ((resid  34 and name HB#  ))   ( (resid  60 and name HA   )) assign ((resid  35 and name HA   ))   ( (resid  41 and name HG1# )) assign ((resid  35 and name HB1  ))   ( (resid  41 and name HA   )) assign ((resid  35 and name HB2  ))   ( (resid  41 and name HA   )) assign ((resid  35 and name HB#  ))   ( (resid  41 and name HA   )) assign ((resid  36 and name HA   ))   ( (resid 141 and name HG1# )) assign ((resid  36 and name HB#  ))   ( (resid 141 and name HA   )) assign ((resid  37 and name HB#  ))   ( (resid 134 and name HA   )) assign ((resid  44 and name HE1  ))   ( (resid  56 and name HA   )) assign ((resid  44 and name HZ2  ))   ( (resid  57 and name HA   )) assign ((resid  46 and name HA   ))   ( (resid  51 and name HB#  )) assign ((resid  46 and name HG1# ))   ( (resid  52 and name HA   )) assign ((resid  46 and name HG2# ))   ( (resid  52 and name HA   )) assign ((resid  47 and name HA   ))   ( (resid 145 and name HD2# )) assign ((resid  47 and name HA   ))   ( (resid 146 and name HD#  )) assign ((resid  48 and name HA   ))   ( (resid 145 and name HD1# )) assign ((resid  48 and name HA   ))   ( (resid 145 and name HD2# )) assign ((resid  49 and name HA   ))   ( (resid 145 and name HD1# )) assign ((resid  49 and name HA   ))   ( (resid 145 and name HD2# )) assign ((resid  52 and name HA   ))   ( (resid  56 and name HD1# )) assign ((resid  52 and name HD1# ))   ( (resid  96 and name HA   )) assign ((resid  52 and name HG2# ))   ( (resid  57 and name HA   )) assign ((resid  53 and name HA   ))   ( (resid 107 and name HG#  )) assign ((resid  54 and name HA   ))   ( (resid 111 and name HD1# )) assign ((resid  54 and name HB#  ))   ( (resid 107 and name HA   )) assign ((resid  55 and name HA   ))   ( (resid  59 and name HG#  )) assign ((resid  57 and name HA   ))   ( (resid  61 and name HB#  )) assign ((resid  57 and name HA   ))   ( (resid  92 and name HD2# )) assign ((resid  58 and name HA   ))   ( (resid 111 and name HD1# )) assign ((resid  59 and name HA   ))   ( (resid  64 and name HB#  )) assign ((resid  61 and name HA   ))   ( (resid 141 and name HB   )) assign ((resid  61 and name HA   ))   ( (resid 141 and name HG1# )) assign ((resid  61 and name HA   ))   ( (resid 141 and name HG2# )) assign ((resid  61 and name HA   ))   ( (resid  92 and name HD1# )) assign ((resid  88 and name HA   ))   ( (resid 116 and name HG2# )) assign ((resid  89 and name HA   ))   ( (resid 139 and name HB#  )) assign ((resid  89 and name HA   ))   ( (resid 139 and name HG#  )) assign ((resid  89 and name HB#  ))   ( (resid 140 and name HA   )) assign ((resid  91 and name HA   ))   ( (resid 116 and name HG1# )) assign ((resid  91 and name HG1# ))   ( (resid 140 and name HA   )) assign ((resid  91 and name HG2# ))   ( (resid 117 and name HA1  )) assign ((resid  91 and name HG2# ))   ( (resid 117 and name HA2  )) assign ((resid  91 and name HG2# ))   ( (resid 118 and name HA   )) assign ((resid  91 and name HG2# ))   ( (resid  93 and name HA   )) assign ((resid  92 and name HA   ))   ( (resid 141 and name HB   )) assign ((resid  92 and name HA   ))   ( (resid 141 and name HG1# )) assign ((resid  92 and name HA   ))   ( (resid 141 and name HG2# )) assign ((resid  92 and name HB#  ))   ( (resid 118 and name HA   )) assign ((resid  92 and name HD1# ))   ( (resid 142 and name HA   )) assign ((resid  93 and name HA   ))   ( (resid 119 and name HB1  )) assign ((resid  93 and name HA   ))   ( (resid 119 and name HB2  )) assign ((resid  93 and name HA   ))   ( (resid 121 and name HE#  )) assign ((resid  93 and name HB#  ))   ( (resid 142 and name HA   )) assign ((resid  93 and name HD1# ))   ( (resid 126 and name HA   )) assign ((resid  93 and name HD1# ))   ( (resid 130 and name HA   )) assign ((resid  93 and name HD2# ))   ( (resid 126 and name HA   )) assign ((resid  94 and name HA   ))   ( (resid 143 and name HB#  )) assign ((resid  94 and name HB   ))   ( (resid 120 and name HA   )) assign ((resid  94 and name HG1# ))   ( (resid 120 and name HA   )) assign ((resid  94 and name HG1# ))   ( (resid  96 and name HA   )) assign ((resid  94 and name HG2# ))   ( (resid 120 and name HA   )) assign ((resid  95 and name HA#  ))   ( (resid 126 and name HB#  )) assign ((resid  95 and name HA#  ))   ( (resid 144 and name HD2# )) assign ((resid  96 and name HA   ))   ( (resid 145 and name HD1# )) assign ((resid  96 and name HA   ))   ( (resid 145 and name HD2# )) assign ((resid  96 and name HG2# ))   ( (resid 100 and name HA   )) assign ((resid  96 and name HG2# ))   ( (resid 101 and name HA   )) assign ((resid 102 and name HA   ))   ( (resid 120 and name HB#  )) assign ((resid 106 and name HA   ))   ( (resid 110 and name HD#  )) assign ((resid 108 and name HA   ))   ( (resid 110 and name HD#  )) assign ((resid 111 and name HA   ))   ( (resid 116 and name HG2# )) assign ((resid 112 and name HD2# ))   ( (resid 117 and name HA#  )) assign ((resid 119 and name HA   ))   ( (resid 121 and name HE#  )) assign ((resid 121 and name HA   ))   ( (resid 125 and name HB#  )) assign ((resid 121 and name HB#  ))   ( (resid 126 and name HA   )) assign ((resid 121 and name HE#  ))   ( (resid 126 and name HA   )) assign ((resid 121 and name HG#  ))   ( (resid 126 and name HA   )) assign ((resid 123 and name HG2# ))   ( (resid 144 and name HA   )) assign ((resid 123 and name HG2# ))   ( (resid 146 and name HA   )) assign ((resid 127 and name HA   ))   ( (resid 142 and name HG2# )) assign ((resid 127 and name HA   ))   ( (resid 144 and name HD1# )) assign ((resid 127 and name HA   ))   ( (resid 144 and name HD2# )) assign ((resid 130 and name HA   ))   ( (resid 140 and name HG1# )) assign ((resid 130 and name HA   ))   ( (resid 140 and name HG2# )) assign ((resid 132 and name HG2# ))   ( (resid 136 and name HA   )) assign ((resid 133 and name HA   ))   ( (resid 135 and name HB#  )) assign ((resid 134 and name HA   ))   ( (resid 140 and name HG1# )) assign ((resid 141 and name HG1# ))   ( (resid 143 and name HA   )) assign ((resid  11 and name HB1  ))   ( (resid 134 and name HE#  )) assign ((resid  11 and name HB2  ))   ( (resid 134 and name HE#  )) assign ((resid  11 and name HD1# ))   ( (resid 134 and name HE#  )) assign ((resid  11 and name HD2# ))   ( (resid 134 and name HE#  )) assign ((resid  11 and name HD2# ))   ( (resid 134 and name HG#  )) assign ((resid  11 and name HD2# ))   ( (resid  37 and name HB#  )) assign ((resid  13 and name HB   ))   ( (resid 134 and name HE#  )) assign ((resid  13 and name HB   ))   ( (resid  15 and name HG2# )) assign ((resid  13 and name HG2# ))   ( (resid 134 and name HE#  )) assign ((resid  13 and name HG2# ))   ( (resid  15 and name HG2# )) assign ((resid  14 and name HB   ))   ( (resid 127 and name HB#  )) assign ((resid  14 and name HG1# ))   ( (resid  17 and name HD#  )) assign ((resid  14 and name HG2# ))   ( (resid  22 and name HD1# )) assign ((resid  14 and name HG2# ))   ( (resid  24 and name HG1# )) assign ((resid  14 and name HG2# ))   ( (resid  24 and name HG2# )) assign ((resid  14 and name HG2# ))   ( (resid  35 and name HZ   )) assign ((resid  14 and name HG#  ))   ( (resid 127 and name HB#  )) assign ((resid  14 and name HG#  ))   ( (resid  17 and name HD#  )) assign ((resid  14 and name HG#  ))   ( (resid  17 and name HE#  )) assign ((resid  14 and name HG#  ))   ( (resid  22 and name HG2# )) assign ((resid  14 and name HG#  ))   ( (resid  24 and name HG2# )) assign ((resid  14 and name HG#  ))   ( (resid  35 and name HZ   )) assign ((resid  15 and name HG2# ))   ( (resid  26 and name HG#  )) assign ((resid  16 and name HB#  ))   ( (resid  21 and name HE#  )) assign ((resid  16 and name HB#  ))   ( (resid  23 and name HB#  )) assign ((resid  17 and name HD#  ))   ( (resid 127 and name HB#  )) assign ((resid  17 and name HE#  ))   ( (resid 127 and name HB#  )) assign ((resid  17 and name HE#  ))   ( (resid  22 and name HD1# )) assign ((resid  21 and name HB#  ))   ( (resid  28 and name HB#  )) assign ((resid  21 and name HD#  ))   ( (resid  23 and name HG#  )) assign ((resid  22 and name HB   ))   ( (resid  33 and name HD1# )) assign ((resid  22 and name HD1# ))   ( (resid 123 and name HG2# )) assign ((resid  22 and name HD1# ))   ( (resid 146 and name HD#  )) assign ((resid  22 and name HD1# ))   ( (resid 146 and name HG#  )) assign ((resid  22 and name HD1# ))   ( (resid  29 and name HB#  )) assign ((resid  22 and name HD1# ))   ( (resid  33 and name HD1# )) assign ((resid  22 and name HD1# ))   ( (resid  33 and name HG2# )) assign ((resid  22 and name HG2# ))   ( (resid 127 and name HB#  )) assign ((resid  22 and name HG2# ))   ( (resid 144 and name HB#  )) assign ((resid  22 and name HG2# ))   ( (resid 144 and name HD1# )) assign ((resid  22 and name HG2# ))   ( (resid  24 and name HG2# )) assign ((resid  22 and name HG2# ))   ( (resid  29 and name HB#  )) assign ((resid  22 and name HG2# ))   ( (resid  33 and name HD1# )) assign ((resid  22 and name HG2# ))   ( (resid  33 and name HG1# )) assign ((resid  22 and name HG2# ))   ( (resid  35 and name HE#  )) assign ((resid  23 and name HG#  ))   ( (resid  28 and name HB#  )) assign ((resid  24 and name HB   ))   ( (resid  29 and name HE#  )) assign ((resid  24 and name HG1# ))   ( (resid  29 and name HE#  )) assign ((resid  24 and name HG1# ))   ( (resid  35 and name HD#  )) assign ((resid  24 and name HG1# ))   ( (resid  35 and name HE#  )) assign ((resid  24 and name HG2# ))   ( (resid  29 and name HD#  )) assign ((resid  24 and name HG2# ))   ( (resid  29 and name HE#  )) assign ((resid  24 and name HG2# ))   ( (resid  33 and name HD1# )) assign ((resid  24 and name HG2# ))   ( (resid  35 and name HE#  )) assign ((resid  24 and name HG2# ))   ( (resid  35 and name HZ   )) assign ((resid  27 and name HB   ))   ( (resid  29 and name HE#  )) assign ((resid  27 and name HG1# ))   ( (resid  29 and name HE#  )) assign ((resid  27 and name HG2# ))   ( (resid  29 and name HE#  )) assign ((resid  29 and name HB#  ))   ( (resid  33 and name HD1# )) assign ((resid  29 and name HB#  ))   ( (resid  33 and name HG2# )) assign ((resid  29 and name HD#  ))   ( (resid  33 and name HD1# )) assign ((resid  29 and name HD#  ))   ( (resid  33 and name HG2# )) assign ((resid  29 and name HE#  ))   ( (resid  33 and name HG2# )) assign ((resid  29 and name HE#  ))   ( (resid  41 and name HB   )) assign ((resid  29 and name HE#  ))   ( (resid  41 and name HG1# )) assign ((resid  29 and name HE#  ))   ( (resid  41 and name HG2# )) assign ((resid  31 and name HE1  ))   ( (resid  33 and name HG2# )) assign ((resid  31 and name HE1  ))   ( (resid  43 and name HB#  )) assign ((resid  32 and name HB#  ))   ( (resid 145 and name HD1# )) assign ((resid  32 and name HB#  ))   ( (resid 145 and name HD2# )) assign ((resid  32 and name HB#  ))   ( (resid 145 and name HG   )) assign ((resid  32 and name HB#  ))   ( (resid 146 and name HD1  )) assign ((resid  32 and name HB#  ))   ( (resid 146 and name HD#  )) assign ((resid  32 and name HB#  ))   ( (resid 146 and name HD2  )) assign ((resid  32 and name HB#  ))   ( (resid  44 and name HB1  )) assign ((resid  32 and name HB#  ))   ( (resid  44 and name HB#  )) assign ((resid  32 and name HB#  ))   ( (resid  44 and name HB2  )) assign ((resid  32 and name HB#  ))   ( (resid  44 and name HE3  )) assign ((resid  32 and name HB#  ))   ( (resid  46 and name HB   )) assign ((resid  32 and name HB#  ))   ( (resid  46 and name HG2# )) assign ((resid  33 and name HB   ))   ( (resid  41 and name HG1# )) assign ((resid  33 and name HD1# ))   ( (resid  35 and name HD#  )) assign ((resid  33 and name HD1# ))   ( (resid  35 and name HE#  )) assign ((resid  33 and name HD1# ))   ( (resid  41 and name HG1# )) assign ((resid  33 and name HG1# ))   ( (resid  41 and name HG1# )) assign ((resid  33 and name HG2# ))   ( (resid  41 and name HG1# )) assign ((resid  33 and name HG2# ))   ( (resid  43 and name HB#  )) assign ((resid  34 and name HB#  ))   ( (resid 143 and name HB#  )) assign ((resid  34 and name HB#  ))   ( (resid  42 and name HB#  )) assign ((resid  34 and name HB#  ))   ( (resid  44 and name HB#  )) assign ((resid  34 and name HB#  ))   ( (resid  60 and name HB#  )) assign ((resid  35 and name HB#  ))   ( (resid  41 and name HG2# )) assign ((resid  35 and name HD#  ))   ( (resid  41 and name HG1# )) assign ((resid  35 and name HE#  ))   ( (resid 142 and name HG1# )) assign ((resid  35 and name HE#  ))   ( (resid 144 and name HD1# )) assign ((resid  35 and name HZ   ))   ( (resid 142 and name HG1# )) assign ((resid  36 and name HB#  ))   ( (resid 141 and name HG1# )) assign ((resid  36 and name HB#  ))   ( (resid 141 and name HG2# )) assign ((resid  36 and name HB#  ))   ( (resid  38 and name HB#  )) assign ((resid  36 and name HB#  ))   ( (resid  38 and name HG#  )) assign ((resid  37 and name HD#  ))   ( (resid 134 and name HB#  )) assign ((resid  37 and name HD#  ))   ( (resid 140 and name HG1# )) assign ((resid  44 and name HD1  ))   ( (resid  56 and name HD2# )) assign ((resid  44 and name HE1  ))   ( (resid  56 and name HB#  )) assign ((resid  44 and name HE1  ))   ( (resid  56 and name HD2# )) assign ((resid  44 and name HE1  ))   ( (resid  59 and name HB#  )) assign ((resid  44 and name HE1  ))   ( (resid  60 and name HB#  )) assign ((resid  44 and name HE3  ))   ( (resid 143 and name HB#  )) assign ((resid  44 and name HE3  ))   ( (resid 145 and name HD2# )) assign ((resid  44 and name HE3  ))   ( (resid  46 and name HG1# )) assign ((resid  44 and name HH2  ))   ( (resid 143 and name HB#  )) assign ((resid  44 and name HH2  ))   ( (resid 145 and name HD1# )) assign ((resid  44 and name HH2  ))   ( (resid  46 and name HG1# )) assign ((resid  44 and name HH2  ))   ( (resid  46 and name HG2# )) assign ((resid  44 and name HH2  ))   ( (resid  52 and name HD1# )) assign ((resid  44 and name HH2  ))   ( (resid  52 and name HG2# )) assign ((resid  44 and name HH2  ))   ( (resid  57 and name HD2# )) assign ((resid  44 and name HH2  ))   ( (resid  94 and name HG1# )) assign ((resid  44 and name HZ2  ))   ( (resid  46 and name HG2# )) assign ((resid  44 and name HZ2  ))   ( (resid  52 and name HG2# )) assign ((resid  44 and name HZ2  ))   ( (resid  57 and name HD2# )) assign ((resid  44 and name HZ2  ))   ( (resid  60 and name HB#  )) assign ((resid  44 and name HZ2  ))   ( (resid  94 and name HG2# )) assign ((resid  44 and name HZ3  ))   ( (resid 143 and name HB#  )) assign ((resid  44 and name HZ3  ))   ( (resid 145 and name HD1# )) assign ((resid  44 and name HZ3  ))   ( (resid 145 and name HD2# )) assign ((resid  44 and name HZ3  ))   ( (resid  46 and name HG1# )) assign ((resid  44 and name HZ3  ))   ( (resid  52 and name HD1# )) assign ((resid  44 and name HZ3  ))   ( (resid  94 and name HG1# )) assign ((resid  45 and name HD#  ))   ( (resid  56 and name HD2# )) assign ((resid  46 and name HB   ))   ( (resid 145 and name HD1# )) assign ((resid  46 and name HB   ))   ( (resid 145 and name HD2# )) assign ((resid  46 and name HG1# ))   ( (resid 145 and name HD1# )) assign ((resid  46 and name HG1# ))   ( (resid 145 and name HD2# )) assign ((resid  46 and name HG1# ))   ( (resid  51 and name HB1  )) assign ((resid  46 and name HG1# ))   ( (resid  51 and name HB2  )) assign ((resid  46 and name HG1# ))   ( (resid  52 and name HD1# )) assign ((resid  46 and name HG1# ))   ( (resid  56 and name HD1# )) assign ((resid  46 and name HG2# ))   ( (resid 145 and name HD1# )) assign ((resid  46 and name HG2# ))   ( (resid 145 and name HD2# )) assign ((resid  46 and name HG2# ))   ( (resid  51 and name HB1  )) assign ((resid  46 and name HG2# ))   ( (resid  51 and name HB2  )) assign ((resid  46 and name HG2# ))   ( (resid  52 and name HD1# )) assign ((resid  46 and name HG2# ))   ( (resid  56 and name HB#  )) assign ((resid  46 and name HG2# ))   ( (resid  56 and name HD1# )) assign ((resid  46 and name HG2# ))   ( (resid  56 and name HD2# )) assign ((resid  48 and name HD#  ))   ( (resid  50 and name HB#  )) assign ((resid  49 and name HB#  ))   ( (resid 101 and name HB#  )) assign ((resid  49 and name HB#  ))   ( (resid  52 and name HD1# )) assign ((resid  49 and name HB#  ))   ( (resid  96 and name HB   )) assign ((resid  49 and name HB#  ))   ( (resid  96 and name HG2# )) assign ((resid  49 and name HB#  ))   ( (resid  98 and name HB#  )) assign ((resid  52 and name HB   ))   ( (resid 103 and name HD2# )) assign ((resid  52 and name HB   ))   ( (resid  56 and name HD1# )) assign ((resid  52 and name HD1# ))   ( (resid 103 and name HD2# )) assign ((resid  52 and name HD1# ))   ( (resid 145 and name HB#  )) assign ((resid  52 and name HD1# ))   ( (resid 145 and name HD1# )) assign ((resid  52 and name HD1# ))   ( (resid 145 and name HD2# )) assign ((resid  52 and name HD1# ))   ( (resid  94 and name HG2# )) assign ((resid  52 and name HD1# ))   ( (resid  96 and name HG2# )) assign ((resid  52 and name HG2# ))   ( (resid 103 and name HD2# )) assign ((resid  52 and name HG2# ))   ( (resid  56 and name HB#  )) assign ((resid  52 and name HG2# ))   ( (resid  56 and name HD2# )) assign ((resid  52 and name HG2# ))   ( (resid  94 and name HG2# )) assign ((resid  53 and name HG2# ))   ( (resid  55 and name HG   )) assign ((resid  53 and name HG2# ))   ( (resid  56 and name HD1# )) assign ((resid  53 and name HG2# ))   ( (resid  56 and name HG   )) assign ((resid  54 and name HB#  ))   ( (resid 110 and name HD#  )) assign ((resid  54 and name HB#  ))   ( (resid 110 and name HG#  )) assign ((resid  56 and name HD2# ))   ( (resid  59 and name HB1  )) assign ((resid  56 and name HD2# ))   ( (resid  59 and name HB2  )) assign ((resid  57 and name HB#  ))   ( (resid 111 and name HD1# )) assign ((resid  57 and name HB#  ))   ( (resid  92 and name HD2# )) assign ((resid  57 and name HD2# ))   ( (resid  92 and name HD2# )) assign ((resid  57 and name HD2# ))   ( (resid  92 and name HG   )) assign ((resid  57 and name HD2# ))   ( (resid  94 and name HB   )) assign ((resid  57 and name HD2# ))   ( (resid  94 and name HG2# )) assign ((resid  58 and name HB#  ))   ( (resid 111 and name HD1# )) assign ((resid  58 and name HE2# ))   ( (resid 110 and name HB#  )) assign ((resid  58 and name HE2# ))   ( (resid 111 and name HD2# )) assign ((resid  58 and name HE2# ))   ( (resid 114 and name HE#  )) assign ((resid  58 and name HG#  ))   ( (resid 110 and name HG#  )) assign ((resid  58 and name HG#  ))   ( (resid 111 and name HB#  )) assign ((resid  58 and name HG#  ))   ( (resid 111 and name HD1# )) assign ((resid  60 and name HB#  ))   ( (resid 143 and name HB#  )) assign ((resid  60 and name HB#  ))   ( (resid  92 and name HD1# )) assign ((resid  61 and name HB#  ))   ( (resid 111 and name HB#  )) assign ((resid  61 and name HB#  ))   ( (resid 111 and name HD1# )) assign ((resid  61 and name HB#  ))   ( (resid 114 and name HE#  )) assign ((resid  61 and name HB#  ))   ( (resid 116 and name HG1# )) assign ((resid  61 and name HB#  ))   ( (resid 116 and name HG2# )) assign ((resid  61 and name HB#  ))   ( (resid 141 and name HG1# )) assign ((resid  61 and name HB#  ))   ( (resid 141 and name HG2# )) assign ((resid  61 and name HB#  ))   ( (resid  63 and name HD1# )) assign ((resid  61 and name HB#  ))   ( (resid  89 and name HD#  )) assign ((resid  61 and name HB#  ))   ( (resid  89 and name HG#  )) assign ((resid  61 and name HB#  ))   ( (resid  92 and name HB#  )) assign ((resid  61 and name HB#  ))   ( (resid  92 and name HD1# )) assign ((resid  63 and name HB#  ))   ( (resid 114 and name HE#  )) assign ((resid  63 and name HB#  ))   ( (resid  88 and name HB#  )) assign ((resid  63 and name HD1# ))   ( (resid 111 and name HB#  )) assign ((resid  63 and name HD1# ))   ( (resid 114 and name HB#  )) assign ((resid  63 and name HD1# ))   ( (resid 114 and name HE#  )) assign ((resid  63 and name HD1# ))   ( (resid  89 and name HD#  )) assign ((resid  63 and name HD2# ))   ( (resid 114 and name HE#  )) assign ((resid  88 and name HB#  ))   ( (resid 114 and name HB#  )) assign ((resid  88 and name HB#  ))   ( (resid 114 and name HE#  )) assign ((resid  88 and name HB#  ))   ( (resid 116 and name HG2# )) assign ((resid  89 and name HB#  ))   ( (resid 116 and name HG1# )) assign ((resid  89 and name HB#  ))   ( (resid 141 and name HG1# )) assign ((resid  89 and name HB#  ))   ( (resid 141 and name HG2# )) assign ((resid  89 and name HD#  ))   ( (resid 116 and name HG2# )) assign ((resid  89 and name HG#  ))   ( (resid 116 and name HG1# )) assign ((resid  89 and name HG#  ))   ( (resid 116 and name HG2# )) assign ((resid  89 and name HG#  ))   ( (resid 141 and name HG1# )) assign ((resid  89 and name HG#  ))   ( (resid 141 and name HG2# )) assign ((resid  91 and name HB   ))   ( (resid 140 and name HG2# )) assign ((resid  91 and name HG1# ))   ( (resid 119 and name HG#  )) assign ((resid  91 and name HG1# ))   ( (resid 140 and name HB   )) assign ((resid  91 and name HG1# ))   ( (resid 140 and name HG2# )) assign ((resid  91 and name HG1# ))   ( (resid  93 and name HD1# )) assign ((resid  91 and name HG1# ))   ( (resid  93 and name HG   )) assign ((resid  91 and name HG2# ))   ( (resid 119 and name HB#  )) assign ((resid  91 and name HG2# ))   ( (resid 119 and name HG#  )) assign ((resid  91 and name HG2# ))   ( (resid  93 and name HG   )) assign ((resid  92 and name HB#  ))   ( (resid 141 and name HG1# )) assign ((resid  92 and name HD1# ))   ( (resid 116 and name HG1# )) assign ((resid  92 and name HD1# ))   ( (resid 116 and name HG2# )) assign ((resid  92 and name HD1# ))   ( (resid 141 and name HB   )) assign ((resid  92 and name HD1# ))   ( (resid 141 and name HG1# )) assign ((resid  92 and name HD1# ))   ( (resid 141 and name HG2# )) assign ((resid  92 and name HD1# ))   ( (resid 143 and name HB#  )) assign ((resid  92 and name HD2# ))   ( (resid 111 and name HD1# )) assign ((resid  92 and name HD2# ))   ( (resid 118 and name HG2# )) assign ((resid  92 and name HG   ))   ( (resid 111 and name HD1# )) assign ((resid  92 and name HG   ))   ( (resid 118 and name HG2# )) assign ((resid  92 and name HG   ))   ( (resid 141 and name HG1# )) assign ((resid  92 and name HG   ))   ( (resid  94 and name HG2# )) assign ((resid  93 and name HB1  ))   ( (resid 142 and name HG2# )) assign ((resid  93 and name HB2  ))   ( (resid 142 and name HG2# )) assign ((resid  93 and name HB#  ))   ( (resid 140 and name HG2# )) assign ((resid  93 and name HD1# ))   ( (resid 129 and name HB   )) assign ((resid  93 and name HD1# ))   ( (resid 129 and name HG2# )) assign ((resid  93 and name HD1# ))   ( (resid 130 and name HB1  )) assign ((resid  93 and name HD1# ))   ( (resid 130 and name HB#  )) assign ((resid  93 and name HD1# ))   ( (resid 130 and name HB2  )) assign ((resid  93 and name HD1# ))   ( (resid 142 and name HB   )) assign ((resid  93 and name HD1# ))   ( (resid 142 and name HG2# )) assign ((resid  93 and name HD2# ))   ( (resid 119 and name HB#  )) assign ((resid  93 and name HD2# ))   ( (resid 119 and name HG#  )) assign ((resid  93 and name HD2# ))   ( (resid 121 and name HB#  )) assign ((resid  93 and name HD2# ))   ( (resid 121 and name HE#  )) assign ((resid  93 and name HD2# ))   ( (resid 126 and name HB#  )) assign ((resid  93 and name HD2# ))   ( (resid 129 and name HG2# )) assign ((resid  93 and name HG   ))   ( (resid 119 and name HB#  )) assign ((resid  94 and name HB   ))   ( (resid 120 and name HB#  )) assign ((resid  94 and name HG1# ))   ( (resid 143 and name HB#  )) assign ((resid  94 and name HG1# ))   ( (resid 145 and name HB#  )) assign ((resid  94 and name HG1# ))   ( (resid  96 and name HG2# )) assign ((resid  94 and name HG2# ))   ( (resid 143 and name HB#  )) assign ((resid  96 and name HB   ))   ( (resid 101 and name HB#  )) assign ((resid  96 and name HG2# ))   ( (resid 101 and name HB#  )) assign ((resid  96 and name HG2# ))   ( (resid 103 and name HD2# )) assign ((resid  96 and name HG2# ))   ( (resid 145 and name HB#  )) assign ((resid  96 and name HG2# ))   ( (resid 145 and name HD1# )) assign ((resid 100 and name HG#  ))   ( (resid 120 and name HB#  )) assign ((resid 101 and name HB#  ))   ( (resid 103 and name HG   )) assign ((resid 101 and name HB#  ))   ( (resid 120 and name HB#  )) assign ((resid 101 and name HD1  ))   ( (resid 103 and name HD2# )) assign ((resid 103 and name HB#  ))   ( (resid 108 and name HG1# )) assign ((resid 103 and name HB#  ))   ( (resid 108 and name HG2# )) assign ((resid 103 and name HB#  ))   ( (resid 120 and name HB#  )) assign ((resid 103 and name HD1# ))   ( (resid 120 and name HB#  )) assign ((resid 103 and name HD2# ))   ( (resid 107 and name HE2# )) assign ((resid 103 and name HD2# ))   ( (resid 120 and name HB#  )) assign ((resid 103 and name HG   ))   ( (resid 120 and name HB#  )) assign ((resid 105 and name HB#  ))   ( (resid 108 and name HG2# )) assign ((resid 105 and name HB#  ))   ( (resid 109 and name HB#  )) assign ((resid 108 and name HB   ))   ( (resid 112 and name HD1# )) assign ((resid 108 and name HB   ))   ( (resid 112 and name HD2# )) assign ((resid 108 and name HG1# ))   ( (resid 118 and name HB   )) assign ((resid 110 and name HB#  ))   ( (resid 113 and name HB#  )) assign ((resid 110 and name HB#  ))   ( (resid 114 and name HE#  )) assign ((resid 111 and name HB#  ))   ( (resid 114 and name HE#  )) assign ((resid 111 and name HD1# ))   ( (resid 114 and name HE#  )) assign ((resid 111 and name HD1# ))   ( (resid 116 and name HG1# )) assign ((resid 111 and name HD1# ))   ( (resid 118 and name HG2# )) assign ((resid 111 and name HD2# ))   ( (resid 114 and name HE#  )) assign ((resid 111 and name HG   ))   ( (resid 118 and name HG2# )) assign ((resid 114 and name HB#  ))   ( (resid 116 and name HG2# )) assign ((resid 114 and name HE#  ))   ( (resid 116 and name HG2# )) assign ((resid 114 and name HG1  ))   ( (resid 116 and name HG2# )) assign ((resid 114 and name HG2  ))   ( (resid 116 and name HG2# )) assign ((resid 118 and name HG1# ))   ( (resid 120 and name HB#  )) assign ((resid 119 and name HB#  ))   ( (resid 121 and name HE#  )) assign ((resid 121 and name HB#  ))   ( (resid 125 and name HB#  )) assign ((resid 121 and name HB#  ))   ( (resid 126 and name HB#  )) assign ((resid 121 and name HE#  ))   ( (resid 125 and name HB#  )) assign ((resid 121 and name HE#  ))   ( (resid 126 and name HB#  )) assign ((resid 121 and name HE#  ))   ( (resid 129 and name HB   )) assign ((resid 121 and name HE#  ))   ( (resid 129 and name HG2# )) assign ((resid 121 and name HG#  ))   ( (resid 125 and name HB#  )) assign ((resid 121 and name HG#  ))   ( (resid 126 and name HB#  )) assign ((resid 122 and name HB#  ))   ( (resid 124 and name HB#  )) assign ((resid 123 and name HG2# ))   ( (resid 127 and name HB#  )) assign ((resid 123 and name HG2# ))   ( (resid 144 and name HB#  )) assign ((resid 123 and name HG2# ))   ( (resid 144 and name HD1# )) assign ((resid 123 and name HG2# ))   ( (resid 144 and name HD2# )) assign ((resid 124 and name HG#  ))   ( (resid 128 and name HB#  )) assign ((resid 126 and name HB#  ))   ( (resid 142 and name HG2# )) assign ((resid 126 and name HB#  ))   ( (resid 144 and name HD2# )) assign ((resid 127 and name HB#  ))   ( (resid 130 and name HD#  )) assign ((resid 127 and name HB#  ))   ( (resid 142 and name HG2# )) assign ((resid 127 and name HB#  ))   ( (resid 144 and name HD1# )) assign ((resid 127 and name HB#  ))   ( (resid 144 and name HD2# )) assign ((resid 128 and name HG#  ))   ( (resid 132 and name HD1# )) assign ((resid 129 and name HG2# ))   ( (resid 133 and name HD1# )) assign ((resid 129 and name HG2# ))   ( (resid 133 and name HD2# )) assign ((resid 129 and name HG2# ))   ( (resid 133 and name HG   )) assign ((resid 130 and name HB#  ))   ( (resid 134 and name HB#  )) assign ((resid 130 and name HB#  ))   ( (resid 142 and name HB   )) assign ((resid 130 and name HD#  ))   ( (resid 134 and name HE#  )) assign ((resid 130 and name HD#  ))   ( (resid 140 and name HG1# )) assign ((resid 130 and name HE#  ))   ( (resid 140 and name HG1# )) assign ((resid 130 and name HE#  ))   ( (resid 141 and name HG1# )) assign ((resid 131 and name HB#  ))   ( (resid 134 and name HE#  )) assign ((resid 132 and name HG2# ))   ( (resid 135 and name HB#  )) assign ((resid 132 and name HG2# ))   ( (resid 136 and name HB#  )) assign ((resid 132 and name HG2# ))   ( (resid 136 and name HG#  )) assign ((resid 133 and name HB#  ))   ( (resid 140 and name HG2# )) assign ((resid 133 and name HD1# ))   ( (resid 138 and name HB#  )) assign ((resid 133 and name HD2# ))   ( (resid 136 and name HB#  )) assign ((resid 133 and name HD2# ))   ( (resid 136 and name HG#  )) assign ((resid 133 and name HG   ))   ( (resid 140 and name HG2# )) assign ((resid 134 and name HB#  ))   ( (resid 140 and name HG1# )) assign ((resid 134 and name HE#  ))   ( (resid 140 and name HG1# )) assign ((resid 138 and name HB#  ))   ( (resid 140 and name HG1# )) assign ((resid 140 and name HG1# ))   ( (resid 142 and name HB   )) assign ((resid 140 and name HG2# ))   ( (resid 142 and name HB   )) assign ((resid 141 and name HG1# ))   ( (resid 143 and name HB#  )) assign ((resid 142 and name HG1# ))   ( (resid 144 and name HD2# )) assign ((resid 142 and name HG2# ))   ( (resid 144 and name HB#  )) assign ((resid 142 and name HG2# ))   ( (resid 144 and name HD1# )) assign ((resid 142 and name HG2# ))   ( (resid 144 and name HD2# )) assign ((resid  11 and name HA   ))   ( (resid  11 and name HD1# )) assign ((resid  11 and name HA   ))   ( (resid  11 and name HD2# )) assign ((resid  11 and name HN   ))   ( (resid  11 and name HD1# )) assign ((resid  11 and name HN   ))   ( (resid  11 and name HD2# )) assign ((resid  13 and name HN   ))   ( (resid  13 and name HB   )) assign ((resid  14 and name HN   ))   ( (resid  14 and name HG1# )) assign ((resid  14 and name HN   ))   ( (resid  14 and name HG2# )) assign ((resid  15 and name HN   ))   ( (resid  15 and name HG2# )) assign ((resid  17 and name HA   ))   ( (resid  17 and name HD#  )) assign ((resid  17 and name HN   ))   ( (resid  17 and name HD#  )) assign ((resid  19 and name HN   ))   ( (resid  19 and name HB1  )) assign ((resid  19 and name HN   ))   ( (resid  19 and name HB2  )) assign ((resid  21 and name HA   ))   ( (resid  21 and name HD#  )) assign ((resid  21 and name HB#  ))   ( (resid  21 and name HE#  )) assign ((resid  21 and name HN   ))   ( (resid  21 and name HD#  )) assign ((resid  21 and name HN   ))   ( (resid  21 and name HE#  )) assign ((resid  22 and name HA   ))   ( (resid  22 and name HD1# )) assign ((resid  22 and name HG11 ))   ( (resid  22 and name HG2# )) assign ((resid  22 and name HG12 ))   ( (resid  22 and name HG2# )) assign ((resid  23 and name HN   ))   ( (resid  23 and name HG1  )) assign ((resid  23 and name HN   ))   ( (resid  23 and name HG2  )) assign ((resid  24 and name HN   ))   ( (resid  24 and name HG2# )) assign ((resid  26 and name HN   ))   ( (resid  26 and name HG#  )) assign ((resid  27 and name HN   ))   ( (resid  27 and name HB   )) assign ((resid  27 and name HN   ))   ( (resid  27 and name HG1# )) assign ((resid  27 and name HN   ))   ( (resid  27 and name HG2# )) assign ((resid  29 and name HA   ))   ( (resid  29 and name HD#  )) assign ((resid  29 and name HN   ))   ( (resid  29 and name HD#  )) assign ((resid  33 and name HN   ))   ( (resid  33 and name HD1# )) assign ((resid  33 and name HN   ))   ( (resid  33 and name HG11 )) assign ((resid  33 and name HN   ))   ( (resid  33 and name HG12 )) assign ((resid  35 and name HB#  ))   ( (resid  35 and name HD#  )) assign ((resid  38 and name HN   ))   ( (resid  38 and name HG#  )) assign ((resid  41 and name HA   ))   ( (resid  41 and name HG1# )) assign ((resid  41 and name HN   ))   ( (resid  41 and name HB   )) assign ((resid  41 and name HN   ))   ( (resid  41 and name HG1# )) assign ((resid  41 and name HN   ))   ( (resid  41 and name HG2# )) assign ((resid  44 and name HA   ))   ( (resid  44 and name HD1  )) assign ((resid  44 and name HB#  ))   ( (resid  44 and name HE3  )) assign ((resid  46 and name HN   ))   ( (resid  46 and name HB   )) assign ((resid  46 and name HN   ))   ( (resid  46 and name HG1# )) assign ((resid  46 and name HN   ))   ( (resid  46 and name HG2# )) assign ((resid  47 and name HN   ))   ( (resid  47 and name HG#  )) assign ((resid  48 and name HN   ))   ( (resid  48 and name HG1  )) assign ((resid  48 and name HN   ))   ( (resid  48 and name HG2  )) assign ((resid  52 and name HA   ))   ( (resid  52 and name HD1# )) assign ((resid  52 and name HN   ))   ( (resid  52 and name HD1# )) assign ((resid  52 and name HN   ))   ( (resid  52 and name HG1# )) assign ((resid  53 and name HN   ))   ( (resid  53 and name HG2# )) assign ((resid  55 and name HN   ))   ( (resid  55 and name HB#  )) assign ((resid  55 and name HN   ))   ( (resid  55 and name HG   )) assign ((resid  56 and name HA   ))   ( (resid  56 and name HD1# )) assign ((resid  56 and name HA   ))   ( (resid  56 and name HD2# )) assign ((resid  56 and name HN   ))   ( (resid  56 and name HD1# )) assign ((resid  56 and name HN   ))   ( (resid  56 and name HD2# )) assign ((resid  56 and name HN   ))   ( (resid  56 and name HG   )) assign ((resid  57 and name HA   ))   ( (resid  57 and name HD2# )) assign ((resid  57 and name HB#  ))   ( (resid  57 and name HD2# )) assign ((resid  57 and name HN   ))   ( (resid  57 and name HD2# )) assign ((resid  57 and name HN   ))   ( (resid  57 and name HG   )) assign ((resid  58 and name HB#  ))   ( (resid  58 and name HE2# )) assign ((resid  58 and name HG#  ))   ( (resid  58 and name HE2# )) assign ((resid  58 and name HN   ))   ( (resid  58 and name HG#  )) assign ((resid  59 and name HN   ))   ( (resid  59 and name HG1  )) assign ((resid  59 and name HN   ))   ( (resid  59 and name HG2  )) assign ((resid  63 and name HA   ))   ( (resid  63 and name HD1# )) assign ((resid  63 and name HA   ))   ( (resid  63 and name HD2# )) assign ((resid  63 and name HN   ))   ( (resid  63 and name HD1# )) assign ((resid  63 and name HN   ))   ( (resid  63 and name HD2# )) assign ((resid  91 and name HA   ))   ( (resid  91 and name HG2# )) assign ((resid  91 and name HN   ))   ( (resid  91 and name HG1# )) assign ((resid  91 and name HN   ))   ( (resid  91 and name HG2# )) assign ((resid  92 and name HA   ))   ( (resid  92 and name HD1# )) assign ((resid  92 and name HN   ))   ( (resid  92 and name HD2# )) assign ((resid  93 and name HA   ))   ( (resid  93 and name HD1# )) assign ((resid  93 and name HA   ))   ( (resid  93 and name HD2# )) assign ((resid  93 and name HN   ))   ( (resid  93 and name HD1# )) assign ((resid  93 and name HN   ))   ( (resid  93 and name HD2# )) assign ((resid  93 and name HN   ))   ( (resid  93 and name HG   )) assign ((resid  94 and name HN   ))   ( (resid  94 and name HG1# )) assign ((resid  94 and name HN   ))   ( (resid  94 and name HG2# )) assign ((resid  96 and name HN   ))   ( (resid  96 and name HG2# )) assign ((resid 100 and name HN   ))   ( (resid 100 and name HB1  )) assign ((resid 100 and name HN   ))   ( (resid 100 and name HB2  )) assign ((resid 100 and name HN   ))   ( (resid 100 and name HG#  )) assign ((resid 103 and name HA   ))   ( (resid 103 and name HD1# )) assign ((resid 103 and name HA   ))   ( (resid 103 and name HD2# )) assign ((resid 103 and name HN   ))   ( (resid 103 and name HD1# )) assign ((resid 103 and name HN   ))   ( (resid 103 and name HD2# )) assign ((resid 103 and name HN   ))   ( (resid 103 and name HG   )) assign ((resid 106 and name HN   ))   ( (resid 106 and name HG1  )) assign ((resid 106 and name HN   ))   ( (resid 106 and name HG2  )) assign ((resid 107 and name HN   ))   ( (resid 107 and name HG1  )) assign ((resid 107 and name HN   ))   ( (resid 107 and name HG2  )) assign ((resid 108 and name HN   ))   ( (resid 108 and name HG1# )) assign ((resid 108 and name HN   ))   ( (resid 108 and name HG2# )) assign ((resid 109 and name HN   ))   ( (resid 109 and name HB1  )) assign ((resid 109 and name HN   ))   ( (resid 109 and name HB2  )) assign ((resid 111 and name HA   ))   ( (resid 111 and name HD1# )) assign ((resid 111 and name HN   ))   ( (resid 111 and name HD1# )) assign ((resid 111 and name HN   ))   ( (resid 111 and name HD2# )) assign ((resid 111 and name HN   ))   ( (resid 111 and name HG   )) assign ((resid 112 and name HA   ))   ( (resid 112 and name HD2# )) assign ((resid 112 and name HN   ))   ( (resid 112 and name HD1# )) assign ((resid 112 and name HN   ))   ( (resid 112 and name HD2# )) assign ((resid 112 and name HN   ))   ( (resid 112 and name HG   )) assign ((resid 114 and name HA   ))   ( (resid 114 and name HE#  )) assign ((resid 114 and name HG1  ))   ( (resid 114 and name HE#  )) assign ((resid 114 and name HG2  ))   ( (resid 114 and name HE#  )) assign ((resid 114 and name HN   ))   ( (resid 114 and name HE#  )) assign ((resid 114 and name HN   ))   ( (resid 114 and name HG1  )) assign ((resid 114 and name HN   ))   ( (resid 114 and name HG2  )) assign ((resid 116 and name HN   ))   ( (resid 116 and name HB   )) assign ((resid 116 and name HN   ))   ( (resid 116 and name HG1# )) assign ((resid 116 and name HN   ))   ( (resid 116 and name HG2# )) assign ((resid 118 and name HN   ))   ( (resid 118 and name HB   )) assign ((resid 118 and name HN   ))   ( (resid 118 and name HG1# )) assign ((resid 118 and name HN   ))   ( (resid 118 and name HG2# )) assign ((resid 119 and name HN   ))   ( (resid 119 and name HG#  )) assign ((resid 121 and name HA   ))   ( (resid 121 and name HE#  )) assign ((resid 121 and name HB#  ))   ( (resid 121 and name HE#  )) assign ((resid 121 and name HG#  ))   ( (resid 121 and name HE#  )) assign ((resid 121 and name HN   ))   ( (resid 121 and name HB#  )) assign ((resid 121 and name HN   ))   ( (resid 121 and name HE#  )) assign ((resid 121 and name HN   ))   ( (resid 121 and name HG1  )) assign ((resid 121 and name HN   ))   ( (resid 121 and name HG2  )) assign ((resid 123 and name HN   ))   ( (resid 123 and name HG2# )) assign ((resid 124 and name HN   ))   ( (resid 124 and name HG1  )) assign ((resid 124 and name HN   ))   ( (resid 124 and name HG2  )) assign ((resid 129 and name HN   ))   ( (resid 129 and name HG2# )) assign ((resid 132 and name HA   ))   ( (resid 132 and name HD1# )) assign ((resid 132 and name HG11 ))   ( (resid 132 and name HG2# )) assign ((resid 132 and name HG12 ))   ( (resid 132 and name HG2# )) assign ((resid 132 and name HN   ))   ( (resid 132 and name HB   )) assign ((resid 132 and name HN   ))   ( (resid 132 and name HD1# )) assign ((resid 132 and name HN   ))   ( (resid 132 and name HG11 )) assign ((resid 132 and name HN   ))   ( (resid 132 and name HG12 )) assign ((resid 133 and name HA   ))   ( (resid 133 and name HD1# )) assign ((resid 133 and name HA   ))   ( (resid 133 and name HD2# )) assign ((resid 133 and name HN   ))   ( (resid 133 and name HD1# )) assign ((resid 133 and name HN   ))   ( (resid 133 and name HD2# )) assign ((resid 133 and name HN   ))   ( (resid 133 and name HG   )) assign ((resid 134 and name HA   ))   ( (resid 134 and name HE#  )) assign ((resid 134 and name HB1  ))   ( (resid 134 and name HE#  )) assign ((resid 134 and name HB2  ))   ( (resid 134 and name HE#  )) assign ((resid 134 and name HG#  ))   ( (resid 134 and name HE#  )) assign ((resid 134 and name HN   ))   ( (resid 134 and name HE#  )) assign ((resid 136 and name HN   ))   ( (resid 136 and name HG1  )) assign ((resid 136 and name HN   ))   ( (resid 136 and name HG2  )) assign ((resid 138 and name HN   ))   ( (resid 138 and name HB1  )) assign ((resid 138 and name HN   ))   ( (resid 138 and name HB2  )) assign ((resid 139 and name HA   ))   ( (resid 139 and name HD#  )) assign ((resid 139 and name HN   ))   ( (resid 139 and name HG#  )) assign ((resid 140 and name HN   ))   ( (resid 140 and name HG1# )) assign ((resid 140 and name HN   ))   ( (resid 140 and name HG2# )) assign ((resid 141 and name HN   ))   ( (resid 141 and name HG1# )) assign ((resid 141 and name HN   ))   ( (resid 141 and name HG2# )) assign ((resid 142 and name HN   ))   ( (resid 142 and name HG1# )) assign ((resid 142 and name HN   ))   ( (resid 142 and name HG2# )) assign ((resid 144 and name HA   ))   ( (resid 144 and name HD1# )) assign ((resid 144 and name HA   ))   ( (resid 144 and name HD2# )) assign ((resid 144 and name HN   ))   ( (resid 144 and name HD1# )) assign ((resid 144 and name HN   ))   ( (resid 144 and name HD2# )) assign ((resid 145 and name HA   ))   ( (resid 145 and name HD2# )) assign ((resid  44 and name HD1  ))   ( (resid  45 and name HD#  ))

1.80 0.00 1.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 1.40 1.80 0.00 1.70 1.80 0.00 1.40 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 1.70 1.80 0.00 3.20 1.80 0.00 1.70 1.80 0.00 3.20 1.80 0.00 1.70 1.80 0.00 1.70 1.80 0.00 1.70 1.80 0.00 1.70 1.80 0.00 1.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 1.40 1.80 0.00 1.40 1.80 0.00 1.40 1.80 0.00 1.40 1.80 0.00 1.40 1.80 0.00 1.40 1.80 0.00 1.40 1.80 0.00 1.70 1.80 0.00 3.20 1.80 0.00 1.40 1.80 0.00 1.40 1.80 0.00 1.40 1.80 0.00 1.40 1.80 0.00 1.40 1.80 0.00 1.40 1.80 0.00 2.20 1.80 0.00 2.20 1.80 0.00 1.40 1.80 0.00 1.40 1.80 0.00 1.40 1.80 0.00 1.40 1.80 0.00 1.40 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 1.70 1.80 0.00 1.70 1.80 0.00 1.70 1.80 0.00 1.70 1.80 0.00 0.90 1.80 0.00 1.70 1.80 0.00 0.90 1.80 0.00 1.70 1.80 0.00 1.70 1.80 0.00 0.90 1.80 0.00 0.90 1.80 0.00 0.90 1.80 0.00 1.70 1.80 0.00 0.90 1.80 0.00 0.90 1.80 0.00 0.90 1.80 0.00 0.90 1.80 0.00 1.20 1.80 0.00 1.10 1.80 0.00 1.70 1.80 0.00 1.70 1.80 0.00 0.90 1.80 0.00 0.90 1.80 0.00 1.70 1.80 0.00 1.70 1.80 0.00 0.90 1.80 0.00 0.90 1.80 0.00 0.90 1.80 0.00 1.70 1.80 0.00 0.90 1.80 0.00 1.70 1.80 0.00 0.90 1.80 0.00 1.70 1.80 0.00 1.70 1.80 0.00 1.70 1.80 0.00 1.70 1.80 0.00 0.90 1.80 0.00 1.10 1.80 0.00 0.90 1.80 0.00 1.70 1.80 0.00 1.70 1.80 0.00 1.70 1.80 0.00 0.90 1.80 0.00 0.90 1.80 0.00 1.70 1.80 0.00 1.70 1.80 0.00 1.70 1.80 0.00 1.70 1.80 0.00 1.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 1.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 2.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 2.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 2.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 2.20 1.80 0.00 3.70 1.80 0.00 2.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 2.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 2.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 2.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 1.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 1.70 1.80 0.00 1.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 2.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 1.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 1.20 1.80 0.00 1.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 1.20 1.80 0.00 3.70 1.80 0.00 1.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 1.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 1.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 2.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 1.70 1.80 0.00 1.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 2.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 1.70 1.80 0.00 1.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 2.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 1.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 1.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 1.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 1.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 2.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 1.70 1.80 0.00 1.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 2.20 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.70 1.80 0.00 3.20

list of removed NOE constraints

 ====== TOTAL ======:  0

table of distance constraints violations


  Residual Violations greater than 0.10 

   13-> ASP     51 HN   - ILE     52 HN   [ 1.80  3.20]  0.00  0.00  0.12  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  0.00 -   2 [ 0.12 ..  0.13]
   69-> GLU     38 HA   - GLY     39 HN   [ 1.80  3.00]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.43  0.13  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.13 ..  0.43]
  221-> LEU     63 HD1* - ALA     64 HN   [ 1.80  5.50]  0.00  0.00  0.08  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.11  0.00  0.00  0.00  0.00  0.00  0.00  0.08  0.00 -   3 [ 0.08 ..  0.11]
  285-> THR     96 HB   - ARG     99 HN   [ 1.80  5.00]  0.12  0.00  0.00  0.06  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 -   2 [ 0.06 ..  0.12]
  369-> ILE     22 HD1* - ILE     33 HN   [ 1.80  5.50]  0.00  0.00  0.00  0.10  0.00  0.00  0.10  0.00  0.00  0.05  0.00  0.00  0.11  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   4 [ 0.05 ..  0.11]
  415-> ALA     88 HN   - VAL    116 HG2* [ 1.80  5.50]  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  0.02  0.00  0.00  0.00  0.00  0.00 -   3 [ 0.00 ..  0.13]
  437-> LEU     11 HD2* - ALA    135 HA   [ 1.80  5.50]  0.00  0.00  0.00  0.12  0.00  0.01  0.05  0.08  0.01  0.06  0.03  0.00  0.00  0.04  0.00  0.06  0.00  0.08  0.00  0.02 -  11 [ 0.01 ..  0.12]
  449-> TYR     17 HB*  - ILE     22 HA   [ 1.80  5.00]  0.00  0.00  0.00  0.04  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  0.37  0.00  0.00 -   3 [ 0.04 ..  0.37]
  477-> GLN     47 HA   - PRO    146 HD*  [ 1.80  5.50]  0.00  0.00  0.00  0.00  0.00  0.00  0.33  0.47  0.52  0.00  0.26  0.00  0.00  0.14  0.00  0.00  0.00  0.00  0.00  0.37 -   6 [ 0.14 ..  0.52]
  569-> VAL     14 HG*  - TYR     17 HE*  [ 1.80  5.00]  0.00  0.00  0.03  0.12  0.13  0.00  0.00  0.01  0.02  0.00  0.00  0.00  0.00  0.00  0.47  0.00  0.13  0.08  0.02  0.00 -  10 [ 0.00 ..  0.47]
  573-> THR     15 HG2* - GLN     26 HG*  [ 1.80  5.00]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.14 -   1 [ 0.14 ..  0.14]
  617-> HIS     31 HE1  - ILE     33 HG2* [ 1.80  5.00]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.42  0.00  0.79  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.42 ..  0.79]
  618-> HIS     31 HE1  - SER     43 HB*  [ 1.80  5.00]  0.00  0.00  0.04  0.04  0.12  0.00  0.07  0.00  0.14  0.27  0.00  0.66  0.00  0.00  0.00  0.00  0.10  0.00  0.00  0.07 -   9 [ 0.04 ..  0.66]
  651-> PRO     37 HD*  - MET    134 HB*  [ 1.80  5.50]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.10  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.10 ..  0.10]
  659-> TRP     44 HE3  - LEU    145 HD2* [ 1.80  5.00]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.02  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.15 -   2 [ 0.02 ..  0.15]
  662-> TRP     44 HH2  - LEU    145 HD1* [ 1.80  5.50]  0.00  0.02  0.00  0.00  0.00  0.08  0.00  0.00  0.00  0.11  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.07  0.00  0.01 -   5 [ 0.01 ..  0.11]
  663-> TRP     44 HH2  - VAL     46 HG1* [ 1.80  5.00]  0.00  0.17  0.00  0.00  0.00  0.02  0.00  0.00  0.00  0.11  0.00  0.00  0.07  0.11  0.05  0.00  0.00  0.03  0.06  0.00 -   8 [ 0.02 ..  0.17]
  676-> TRP     44 HZ3  - LEU    145 HD2* [ 1.80  5.00]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.11  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.11 ..  0.11]
  702-> PRO     49 HB*  - ARG     98 HB*  [ 1.80  5.50]  0.00  0.05  0.00  0.04  0.05  0.00  0.00  0.07  0.00  0.00  0.00  0.05  0.08  0.12  0.03  0.06  0.00  0.09  0.06  0.00 -  11 [ 0.03 ..  0.12]
  704-> ILE     52 HB   - LEU     56 HD1* [ 1.80  5.00]  0.13  0.00  0.00  0.00  0.12  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  0.02  0.00 -   4 [ 0.02 ..  0.13]
  750-> LEU     63 HB*  - ALA     88 HB*  [ 1.80  5.50]  0.00  0.00  0.05  0.00  0.00  0.00  0.00  0.00  0.03  0.01  0.00  0.00  0.00  0.12  0.07  0.01  0.00  0.04  0.00  0.00 -   7 [ 0.01 ..  0.12]
  778-> LEU     92 HD1* - VAL    116 HG2* [ 1.80  5.50]  0.00  0.02  0.00  0.00  0.10  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.02  0.00  0.00  0.00  0.00  0.00  0.06  0.01 -   5 [ 0.01 ..  0.10]
  814-> THR     96 HG2* - LEU    145 HB*  [ 1.80  5.50]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.08  0.00  0.00  0.00  0.19  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.08 ..  0.19]
  819-> HIS    101 HD1  - LEU    103 HD2* [ 1.80  5.00] 94.99 94.99 94.99 94.99 94.99 94.99 94.99 94.99 94.99 94.99 94.99 94.99 94.99 94.99 94.99 94.99 94.99 94.99 94.99 94.99 -  20 [94.99 .. 94.99]
  870-> TYR    130 HB*  - MET    134 HB*  [ 1.80  5.50]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.22  0.00  0.00  0.00  0.32  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.22 ..  0.32]
  881-> LEU    133 HD1* - ARG    138 HB*  [ 1.80  5.50]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.12  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.12 ..  0.12]
  905-> ASP     19 HN   - ASP     19 HB3  [ 1.80  3.50]  0.00  0.00  0.00  0.10  0.00  0.08  0.00  0.16  0.00  0.05  0.00  0.04  0.00  0.13  0.00  0.00  0.00  0.00  0.10  0.04 -   8 [ 0.04 ..  0.16]
 1044-> ARG    138 HN   - ARG    138 HB3  [ 1.80  3.50]  0.19  0.15  0.17  0.13  0.14  0.15  0.18  0.00  0.15  0.18  0.19  0.18  0.14  0.19  0.15  0.16  0.16  0.16  0.13  0.13 -  19 [ 0.13 ..  0.19]
   -------------------------------------------  
       Number of Violations greater than 0.10               4     3     3     5     8     2     4     5     4     6     3     8     4     8     4     2     4     3     3     5
   -------------------------------------------  

        ----  Summary Of Residual Distance Constraint Violations ---- 
                      Mod  1 Mod  2 Mod  3 Mod  4 Mod  5 Mod  6 Mod  7 Mod  8 Mod  9 Mod 10 Mod 11 Mod 12 Mod 13 Mod 14 Mod 15 Mod 16 Mod 17 Mod 18 Mod 19 Mod 20       Averages   
                      ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~     ~~~~~~~~~~~  
      0.1 - 0.2  ang:      3      2      2      4      6      1      2      2      2      3      1      4      2      7      2      1      3      1      2      3         2.65
      0.2 - 0.5  ang:      0      0      0      0      1      0      1      2      0      2      1      1      1      0      1      0      0      1      0      1         0.60
        > 0.5    ang:      1      1      1      1      1      1      1      1      2      1      1      3      1      1      1      1      1      1      1      1         1.15
        Total       :     12     24     14     19     21     22     19     18     20     25     14     21     22     17     21     19     13     19     24     16        19.00
 Minimum Violation  :  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000        0.000
 Maximum Violation  : 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990       94.990
    Max  Intra Viol :  0.187  0.151  0.166  0.135  0.145  0.154  0.178  0.162  0.145  0.175  0.192  0.179  0.140  0.194  0.153  0.158  0.165  0.161  0.127  0.132        0.194
    Max  Seque Viol :  0.000  0.017  0.117  0.080  0.038  0.038  0.129  0.095  0.065  0.044  0.049  0.106  0.430  0.129  0.027  0.093  0.039  0.000  0.088  0.028        0.430
    Max Medium Viol : 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990       94.990
    Max   Long Viol :  0.023  0.081  0.070  0.115  0.228  0.097  0.333  0.468  0.516  0.271  0.257  0.663  0.112  0.137  0.106  0.086  0.104  0.366  0.071  0.366        0.663
 Average Violation  :  0.085  0.085  0.085  0.085  0.086  0.085  0.085  0.086  0.086  0.086  0.085  0.087  0.086  0.086  0.086  0.085  0.085  0.086  0.085  0.085      0.08550
    Avge Intra Viol :  0.001  0.001  0.001  0.001  0.001  0.001  0.001  0.001  0.001  0.002  0.001  0.001  0.001  0.002  0.001  0.001  0.001  0.001  0.001  0.001      0.00117
    Avge Seque Viol :  0.402  0.402  0.401  0.402  0.402  0.402  0.401  0.403  0.401  0.403  0.401  0.407  0.402  0.402  0.403  0.401  0.401  0.401  0.402  0.401      0.40196
    Avge Mediu Viol :  0.000  0.000  0.001  0.000  0.000  0.000  0.001  0.001  0.000  0.000  0.000  0.001  0.002  0.001  0.000  0.000  0.000  0.000  0.001  0.000      0.00048
    Avge  Long Viol :  0.000  0.001  0.001  0.001  0.002  0.001  0.002  0.002  0.002  0.002  0.001  0.002  0.001  0.001  0.001  0.001  0.001  0.002  0.001  0.002      0.00127
 RMS     Violation  :  2.832  2.832  2.832  2.832  2.832  2.832  2.832  2.832  2.832  2.832  2.832  2.832  2.832  2.832  2.832  2.832  2.832  2.832  2.832  2.832      2.83209
   RMS   Intra      :  0.015  0.012  0.013  0.013  0.011  0.014  0.014  0.013  0.011  0.016  0.015  0.014  0.011  0.018  0.012  0.012  0.013  0.013  0.013  0.011      0.01326
   RMS   Sequential :  6.170  6.170  6.170  6.170  6.170  6.170  6.170  6.170  6.170  6.170  6.170  6.171  6.170  6.170  6.170  6.170  6.170  6.170  6.170  6.170      6.17029
   RMS Medium range :  0.000  0.001  0.009  0.006  0.003  0.002  0.009  0.006  0.004  0.003  0.003  0.007  0.028  0.010  0.002  0.006  0.003  0.000  0.010  0.002      0.00837
   RMS  Long range  :  0.001  0.006  0.006  0.008  0.014  0.007  0.017  0.023  0.025  0.014  0.013  0.032  0.009  0.011  0.009  0.007  0.007  0.019  0.007  0.020      0.01474


 Final --global-- Summary for 20 models, 1125 NOEs/model, 22500 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 
     Summ of viol :   1923.846
    Summ sq. viol : 180466.469
     Maximum viol :     94.990
     Average viol :    0.08550
        RMSD viol :    2.83209
   Std. Dev. viol :    2.83080
      RMS   Intra :    0.01326 
      RMS   Seque :    6.17029 
      RMS   Medi  :    0.00837 
      RMS   Long  :    0.01474

table of dihedral angle constraints violations

   29-> [VAL  A  46] PHI   -146.1  -86.1   10.0    0.0    2.3    0.0   17.5    0.0    0.0   20.9    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0 -   4 [   0.0 ..   20.9] 
   31-> [ALA  A  50] PHI    -95.5  -35.5    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    0.0    0.0    0.0    0.0    0.0 -   1 [   0.0 ..    4.4] 
   47-> [ARG  A  84] PHI   -130.2  -70.2    1.6    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0 -   1 [   0.0 ..    1.6] 
   57-> [GLY  A 104] PHI   -166.2 -106.2    3.7    4.1    0.0    0.0    1.4    2.6   10.5    4.9    0.0    0.0    0.0    0.0    0.0    4.8   13.3    0.0    0.0    0.0    0.1    0.0 -   9 [   0.0 ..   13.3] 
  110-> [GLY  A 148] PHI    159.7 -140.3    2.7    0.0    4.7    0.0    0.0   12.6    0.0    0.0    0.0    4.7    4.6    0.9    0.0    0.0    0.0    3.5    4.7    0.0    0.0    0.0 -   8 [   0.0 ..   12.6] 
  111-> [GLY  A 148] PSI    -84.8   -4.8    0.0    0.0    0.0    6.3   15.1    0.0    0.0    0.0    0.0    0.0    0.0    0.0    8.6    0.0    0.0    0.0    0.0    0.0    0.0    0.0 -   3 [   0.0 ..   15.1] 

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

                      Mod  1 Mod  2 Mod  3 Mod  4 Mod  5 Mod  6 Mod  7 Mod  8 Mod  9 Mod 10 Mod 11 Mod 12 Mod 13 Mod 14 Mod 15 Mod 16 Mod 17 Mod 18 Mod 19 Mod 20        Averages  
                      ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~      ~~~~~~~~~~~ 
 1 - 10.  degrees   :      3      1      2      1      1      1      0      1      1      1      1      0      1      1      0      1      1      0      0      0          0.85
   > 10.  degrees   :      1      0      0      0      2      1      1      1      0      0      0      0      0      0      1      0      0      0      0      0          0.35
        Total       :      4      1      2      1      3      2      1      2      1      1      1      1      1      1      1      1      1      0      1      0          1.30
 Minimum Violation  :    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0          0.00
 Maximum Violation  :   10.0    4.1    4.7    6.3   17.5   12.6   10.5   20.9    4.4    4.7    4.6    0.9    8.6    4.8   13.3    3.5    4.7    0.0    0.1    0.0         20.93
     Max   PHI Viol :   10.0    4.1    4.7    0.0   17.5   12.6   10.5   20.9    4.4    4.7    4.6    0.9    0.0    4.8   13.3    3.5    4.7    0.0    0.1    0.0         20.93
     Max   PSI Viol :    0.0    0.0    0.0    6.3   15.1    0.0    0.0    0.0    0.0    0.0    0.0    0.0    8.6    0.0    0.0    0.0    0.0    0.0    0.0    0.0         15.05
 Average Violation  :    0.2    0.0    0.1    0.1    0.3    0.1    0.1    0.2    0.0    0.0    0.0    0.0    0.1    0.0    0.1    0.0    0.0    0.0    0.0    0.0         0.077
     Avge  PHI Viol :  0.572  0.272  0.356  0.000  0.586  0.526  0.436  0.685  0.282  0.292  0.290  0.124  0.000  0.294  0.491  0.254  0.293  0.000  0.044  0.000         0.357
     Avge  PSI Viol :  0.000  0.000  0.000  0.336  0.518  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.392  0.000  0.000  0.000  0.000  0.000  0.000  0.000         0.164
 RMS     Violation  :  1.057  0.386  0.495  0.599  2.196  1.219  0.992  2.039  0.415  0.444  0.439  0.081  0.816  0.451  1.261  0.336  0.449  0.000  0.010  0.000         0.913
      RMS  PHI Viol :  1.501  0.549  0.704  0.000  2.369  1.732  1.409  2.897  0.589  0.630  0.623  0.115  0.000  0.641  1.791  0.477  0.638  0.000  0.014  0.000         1.171
      RMS  PSI Viol :  0.000  0.000  0.000  0.844  2.012  0.000  0.000  0.000  0.000  0.000  0.000  0.000  1.149  0.000  0.000  0.000  0.000  0.000  0.000  0.000         0.551


 Final --global-- Summary for 20 models, 111 ACOs/model, 2220 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 
      Summ. Viol. :     170.22
  Summ. Sq. Viol. :    1849.54
      Max.  Viol. :     20.926
      Avg.  Viol. :    0.07668
      RMS   Viol. :    0.91276
  Std. Dev. Viol. :    0.90953

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           0.181   0.799   0.537   0.168                                
   LYS  A   2   0.814   0.277   0.551   0.998   0.998   0.995                        
   LEU  A   3   0.916   0.406   0.591   0.620                                        
   HIS  A   4   0.884   0.497   0.567   0.522                                        
   THR  A   5   0.877   0.525   0.201                                                
   ASP  A   6   0.568   0.858   0.628   0.991                                        
   PRO  A   7   0.984   0.251   0.892   0.825                                        
   ALA  A   8   0.601   0.294                                                        
   THR  A   9   0.881   0.367   0.316                                                
   ALA  A  10   0.691   0.143                                                        
   LEU  A  11   0.861   0.644   0.915   0.647                                        
   ASN  A  12   0.830   0.891   0.772   0.940                                       12 
   THR  A  13   0.918   0.992   0.521                                      13       13 
   VAL  A  14   0.995   0.998   1.000                                      14       14 
   THR  A  15   0.997   0.966   1.000                                      15       15 
   ALA  A  16   0.954   0.965                                              16       16 
   TYR  A  17   0.915   0.430   0.579   0.954                                        
   GLY  A  18   0.299   0.536                                                        
   ASP  A  19   0.782   0.291   0.650   0.926                                        
   GLY  A  20   0.304   0.967                                                        
   TYR  A  21   0.995   0.995   0.997   0.998                              21       21 
   ILE  A  22   0.994   0.996   0.999   0.716                              22       22 
   GLU  A  23   0.999   0.997   0.938   0.994   0.846                      23       23 
   VAL  A  24   0.995   0.999   1.000                                      24       24 
   ASN  A  25   0.995   0.491   0.672   0.835                                        
   GLN  A  26   0.331   0.964   0.926   0.753   0.899                                
   VAL  A  27   0.984   0.993   1.000                                      27       27 
   ARG  A  28   0.995   0.996   0.748   0.998   0.716   0.944   1.000      28       28 
   PHE  A  29   0.997   0.996   0.999   0.999                              29       29 
   SER  A  30   0.993   0.989   0.921                                      30       30 
   HIS  A  31   0.992   0.997   0.874   0.830                              31       31 
   ALA  A  32   0.998   0.997                                              32       32 
   ILE  A  33   0.999   0.999   1.000   1.000                              33       33 
   ALA  A  34   0.998   0.998                                              34       34 
   PHE  A  35   0.999   0.999   0.998   1.000                              35       35 
   ALA  A  36   0.990   0.998                                              36       36 
   PRO  A  37   0.993   0.879   0.905   0.827                                       37 
   GLU  A  38   0.851   0.811   0.655   0.876   0.904                               38 
   GLY  A  39   0.800   0.906                                                        
   PRO  A  40   0.991   0.987   0.943   0.916                              40       40 
   VAL  A  41   0.997   0.998   1.000                                      41       41 
   ALA  A  42   0.991   0.991                                              42       42 
   SER  A  43   0.991   0.997   0.615                                      43       43 
   TRP  A  44   0.996   0.979   0.803   0.985                              44       44 
   PRO  A  45   0.982   0.876   0.893   0.851                                       45 
   VAL  A  46   0.945   0.993   0.999                                      46       46 
   GLN  A  47   0.989   0.957   0.926   0.552   0.812                      47       47 
   ARG  A  48   0.953   0.971   0.332   0.860   0.400   0.784   1.000      48       48 
   PRO  A  49   0.991   0.964   0.907   0.817                              49       49 
   ALA  A  50   0.990   0.997                                              50       50 
   ASP  A  51   0.968   0.912   0.997   0.954                              51       51 
   ILE  A  52   0.960   0.997   0.999   1.000                              52       52 
   THR  A  53   0.964   0.991   0.613                                      53       53 
   ALA  A  54   0.997   0.997                                              54       54 
   SER  A  55   0.998   0.997   0.489                                      55       55 
   LEU  A  56   0.998   0.997   0.999   1.000                              56       56 
   LEU  A  57   0.999   0.999   0.999   1.000                              57       57 
   GLN  A  58   1.000   0.999   0.942   0.999   0.966                      58       58 
   GLN  A  59   0.999   1.000   0.999   0.732   0.883                      59       59 
   ALA  A  60   1.000   0.996                                              60       60 
   ALA  A  61   0.994   0.989                                              61       61 
   GLY  A  62   0.987   0.988                                              62       62 
   LEU  A  63   0.967   0.880   0.925   0.931                                       63 
   ALA  A  64   0.772   0.200                                                        
   GLU  A  65   0.952   0.397   0.563   0.780   0.958                                
   VAL  A  66   0.916   0.699   0.635                                                
   VAL  A  67   0.827   0.535   0.605                                                
   ARG  A  68   0.779   0.342   0.477   0.934   0.647   0.981   1.000                
   ASP  A  69   0.570   0.622   0.702   0.961                                        
   PRO  A  70   0.981   0.214   0.907   0.850                                        
   LEU  A  71   0.990   0.987   1.000   1.000                              71       71 
   ALA  A  72   0.798   0.407                                                        
   PHE  A  73   0.883   0.246   0.555   0.914                                        
   LEU  A  74   0.808   0.134   0.718   0.747                                        
   ASP  A  75   0.686   0.236   0.395   0.899                                        
   GLU  A  76   0.334   0.807   0.560   0.711   0.902                                
   PRO  A  77   0.984   0.244   0.915   0.868                                        
   GLU  A  78   0.711   0.099   0.612   0.861   0.922                                
   ALA  A  79   0.893   0.270                                                        
   GLY  A  80   0.209   0.206                                                        
   ALA  A  81   0.711   0.173                                                        
   GLY  A  82   0.294   0.092                                                        
   ALA  A  83   0.409   0.159                                                        
   ARG  A  84   0.966   0.984   0.601   0.645   0.643   0.599   1.000      84       84 
   PRO  A  85   0.985   0.254   0.896   0.824                                        
   ALA  A  86   0.505   0.704                                                        
   ASN  A  87   0.470   0.793   0.579   0.780                                        
   ALA  A  88   0.836   0.960                                                       88 
   PRO  A  89   0.989   0.934   0.898   0.823                              89       89 
   GLU  A  90   0.959   0.996   0.867   0.993   0.893                      90       90 
   VAL  A  91   0.999   1.000   0.999                                      91       91 
   LEU  A  92   0.999   0.998   0.996   0.956                              92       92 
   LEU  A  93   0.999   0.999   0.998   1.000                              93       93 
   VAL  A  94   0.998   0.996   1.000                                      94       94 
   GLY  A  95   0.990   0.961                                              95       95 
   THR  A  96   0.939   0.654   0.862                                                
   GLY  A  97   0.521   0.723                                                        
   ARG  A  98   0.899   0.820   0.635   0.789   0.491   0.753   1.000               98 
   ARG  A  99   0.793   0.887   0.430   0.587   0.860   0.717   1.000                
   GLN  A 100   0.972   0.975   0.938   0.999   0.965                     100      100 
   HIS  A 101   0.920   0.976   0.998   0.118                             101      101 
   LEU  A 102   0.982   0.982   0.672   0.691                             102      102 
   LEU  A 103   0.980   0.991   0.999   0.999                             103      103 
   GLY  A 104   0.996   0.989                                             104      104 
   PRO  A 105   1.000   0.997   1.000   1.000                             105      105 
   GLU  A 106   0.997   0.998   0.873   0.454   0.905                     106      106 
   GLN  A 107   0.996   0.996   0.999   0.943   0.826                     107      107 
   VAL  A 108   0.993   0.979   0.999                                     108      108 
   ARG  A 109   0.998   0.999   0.999   0.999   0.707   0.788   1.000     109      109 
   PRO  A 110   0.997   0.998   0.966   0.935                             110      110 
   LEU  A 111   0.995   0.996   0.999   0.999                             111      111 
   LEU  A 112   0.999   0.999   1.000   1.000                             112      112 
   ALA  A 113   0.999   0.999                                             113      113 
   MET  A 114   0.995   0.988   0.998   0.995   0.664                     114      114 
   GLY  A 115   0.996   0.997                                             115      115 
   VAL  A 116   0.995   0.991   1.000                                     116      116 
   GLY  A 117   0.998   0.977                                             117      117 
   VAL  A 118   0.991   0.999   1.000                                     118      118 
   GLU  A 119   0.999   0.991   0.999   1.000   1.000                     119      119 
   ALA  A 120   0.993   0.997                                             120      120 
   MET  A 121   0.997   0.986   0.579   0.995   0.581                     121      121 
   ASP  A 122   0.991   0.990   0.482   0.744                             122      122 
   THR  A 123   0.997   0.996   0.999                                     123      123 
   GLN  A 124   0.998   0.998   0.682   0.786   0.950                     124      124 
   ALA  A 125   1.000   0.999                                             125      125 
   ALA  A 126   1.000   0.999                                             126      126 
   ALA  A 127   1.000   0.999                                             127      127 
   ARG  A 128   0.999   0.997   0.594   0.930   0.932   0.951   1.000     128      128 
   THR  A 129   0.999   1.000   1.000                                     129      129 
   TYR  A 130   1.000   0.999   0.999   0.998                             130      130 
   ASN  A 131   1.000   0.999   0.999   0.999                             131      131 
   ILE  A 132   0.999   0.999   1.000   1.000                             132      132 
   LEU  A 133   0.999   0.999   0.924   0.923                             133      133 
   MET  A 134   0.998   0.996   0.876   0.680   0.457                     134      134 
   ALA  A 135   0.999   0.998                                             135      135 
   GLU  A 136   0.996   0.990   0.716   0.642   0.941                     136      136 
   GLY  A 137   0.946   0.965                                             137      137 
   ARG  A 138   0.994   0.952   0.945   0.678   0.074   0.670   1.000     138      138 
   ARG  A 139   0.973   0.965   0.595   0.923   0.220   0.464   1.000     139      139 
   VAL  A 140   0.997   0.999   1.000                                     140      140 
   VAL  A 141   0.996   0.999   0.999                                     141      141 
   VAL  A 142   0.999   0.999   1.000                                     142      142 
   ALA  A 143   0.997   0.998                                             143      143 
   LEU  A 144   0.998   0.994   0.999   0.999                             144      144 
   LEU  A 145   0.991   0.966   0.639   0.676                             145      145 
   PRO  A 146   0.989   0.859   0.961   0.941                                      146 
   ASP  A 147   0.655   0.410   0.618   0.909                                        
   GLY  A 148   0.914   0.952                                             148      148 
   ASP  A 149   0.530   0.311   0.599   0.866                                        
   SER  A 150   0.864   0.168   0.405                                                
   LEU  A 151   0.843   0.114   0.617   0.647                                        
   GLU  A 152   0.942   0.641   0.691   0.731   0.929                                
   HIS  A 153   0.901   0.585   0.661   0.756                                        
   HIS  A 154   0.899   0.278   0.365   0.331                                        
   HIS  A 155   0.914   0.483   0.514   0.726                                        
   HIS  A 156   0.793   0.368   0.588   0.432                                        
   HIS  A 157   0.929   0.242   0.852   0.686                                        
   HIS  A 158   0.787           0.510   0.442

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 `BER31_R3Cons_em_bcr3.pdb' 
 > 
 > Kabsch RMSD of backbone atoms in res. A[13..16],A[21..24],A[27..36],A[40..44],A[46..62],A[89..95],A[100..145],for model  1 is: 0.665
 > Kabsch RMSD of backbone atoms in res. A[13..16],A[21..24],A[27..36],A[40..44],A[46..62],A[89..95],A[100..145],for model  2 is: 0.610
 > Kabsch RMSD of backbone atoms in res. A[13..16],A[21..24],A[27..36],A[40..44],A[46..62],A[89..95],A[100..145],for model  3 is: 0.855
 > Kabsch RMSD of backbone atoms in res. A[13..16],A[21..24],A[27..36],A[40..44],A[46..62],A[89..95],A[100..145],for model  4 is: 0.598
 > Kabsch RMSD of backbone atoms in res. A[13..16],A[21..24],A[27..36],A[40..44],A[46..62],A[89..95],A[100..145],for model  5 is: 0.581
 > Kabsch RMSD of backbone atoms in res. A[13..16],A[21..24],A[27..36],A[40..44],A[46..62],A[89..95],A[100..145],for model  6 is: 0.486
 > Kabsch RMSD of backbone atoms in res. A[13..16],A[21..24],A[27..36],A[40..44],A[46..62],A[89..95],A[100..145],for model  7 is: 0.536
 > Kabsch RMSD of backbone atoms in res. A[13..16],A[21..24],A[27..36],A[40..44],A[46..62],A[89..95],A[100..145],for model  8 is: 0.578
 > Kabsch RMSD of backbone atoms in res. A[13..16],A[21..24],A[27..36],A[40..44],A[46..62],A[89..95],A[100..145],for model  9 is: 0.639
 > Kabsch RMSD of backbone atoms in res. A[13..16],A[21..24],A[27..36],A[40..44],A[46..62],A[89..95],A[100..145],for model 10 is: 0.542
 > Kabsch RMSD of backbone atoms in res. A[13..16],A[21..24],A[27..36],A[40..44],A[46..62],A[89..95],A[100..145],for model 11 is: 0.571
 > Kabsch RMSD of backbone atoms in res. A[13..16],A[21..24],A[27..36],A[40..44],A[46..62],A[89..95],A[100..145],for model 12 is: 0.662
 > Kabsch RMSD of backbone atoms in res. A[13..16],A[21..24],A[27..36],A[40..44],A[46..62],A[89..95],A[100..145],for model 13 is: 0.563
 > Kabsch RMSD of backbone atoms in res. A[13..16],A[21..24],A[27..36],A[40..44],A[46..62],A[89..95],A[100..145],for model 14 is: 1.054
 > Kabsch RMSD of backbone atoms in res. A[13..16],A[21..24],A[27..36],A[40..44],A[46..62],A[89..95],A[100..145],for model 15 is: 0.599
 > Kabsch RMSD of backbone atoms in res. A[13..16],A[21..24],A[27..36],A[40..44],A[46..62],A[89..95],A[100..145],for model 16 is: 0.406 (*)
 > Kabsch RMSD of backbone atoms in res. A[13..16],A[21..24],A[27..36],A[40..44],A[46..62],A[89..95],A[100..145],for model 17 is: 0.646
 > Kabsch RMSD of backbone atoms in res. A[13..16],A[21..24],A[27..36],A[40..44],A[46..62],A[89..95],A[100..145],for model 18 is: 0.742
 > Kabsch RMSD of backbone atoms in res. A[13..16],A[21..24],A[27..36],A[40..44],A[46..62],A[89..95],A[100..145],for model 19 is: 0.711
 > Kabsch RMSD of backbone atoms in res. A[13..16],A[21..24],A[27..36],A[40..44],A[46..62],A[89..95],A[100..145],for model 20 is: 0.525
 >
 > Kabsch RMSD statistics for 20 structures: 
 > Mean RMSD using as refer. str. `average' for res.[13..16],[21..24],[27..36],[40..44],[46..62],[89..95],[100..145], is: 0.629 
 > Range of RMSD values to reference struct. is 0.406 to 1.054 


 > Kabsch RMSD of heavy atoms in res. A[13..16],A[21..24],A[27..36],A[40..44],A[46..62],A[89..95],A[100..145],for model  1 is: 1.006
 > Kabsch RMSD of heavy atoms in res. A[13..16],A[21..24],A[27..36],A[40..44],A[46..62],A[89..95],A[100..145],for model  2 is: 0.867
 > Kabsch RMSD of heavy atoms in res. A[13..16],A[21..24],A[27..36],A[40..44],A[46..62],A[89..95],A[100..145],for model  3 is: 1.200
 > Kabsch RMSD of heavy atoms in res. A[13..16],A[21..24],A[27..36],A[40..44],A[46..62],A[89..95],A[100..145],for model  4 is: 0.920
 > Kabsch RMSD of heavy atoms in res. A[13..16],A[21..24],A[27..36],A[40..44],A[46..62],A[89..95],A[100..145],for model  5 is: 0.882
 > Kabsch RMSD of heavy atoms in res. A[13..16],A[21..24],A[27..36],A[40..44],A[46..62],A[89..95],A[100..145],for model  6 is: 0.809
 > Kabsch RMSD of heavy atoms in res. A[13..16],A[21..24],A[27..36],A[40..44],A[46..62],A[89..95],A[100..145],for model  7 is: 0.869
 > Kabsch RMSD of heavy atoms in res. A[13..16],A[21..24],A[27..36],A[40..44],A[46..62],A[89..95],A[100..145],for model  8 is: 1.431
 > Kabsch RMSD of heavy atoms in res. A[13..16],A[21..24],A[27..36],A[40..44],A[46..62],A[89..95],A[100..145],for model  9 is: 0.897
 > Kabsch RMSD of heavy atoms in res. A[13..16],A[21..24],A[27..36],A[40..44],A[46..62],A[89..95],A[100..145],for model 10 is: 0.853
 > Kabsch RMSD of heavy atoms in res. A[13..16],A[21..24],A[27..36],A[40..44],A[46..62],A[89..95],A[100..145],for model 11 is: 0.880
 > Kabsch RMSD of heavy atoms in res. A[13..16],A[21..24],A[27..36],A[40..44],A[46..62],A[89..95],A[100..145],for model 12 is: 0.935
 > Kabsch RMSD of heavy atoms in res. A[13..16],A[21..24],A[27..36],A[40..44],A[46..62],A[89..95],A[100..145],for model 13 is: 0.804
 > Kabsch RMSD of heavy atoms in res. A[13..16],A[21..24],A[27..36],A[40..44],A[46..62],A[89..95],A[100..145],for model 14 is: 1.236
 > Kabsch RMSD of heavy atoms in res. A[13..16],A[21..24],A[27..36],A[40..44],A[46..62],A[89..95],A[100..145],for model 15 is: 0.837
 > Kabsch RMSD of heavy atoms in res. A[13..16],A[21..24],A[27..36],A[40..44],A[46..62],A[89..95],A[100..145],for model 16 is: 0.807
 > Kabsch RMSD of heavy atoms in res. A[13..16],A[21..24],A[27..36],A[40..44],A[46..62],A[89..95],A[100..145],for model 17 is: 0.884
 > Kabsch RMSD of heavy atoms in res. A[13..16],A[21..24],A[27..36],A[40..44],A[46..62],A[89..95],A[100..145],for model 18 is: 1.089
 > Kabsch RMSD of heavy atoms in res. A[13..16],A[21..24],A[27..36],A[40..44],A[46..62],A[89..95],A[100..145],for model 19 is: 0.915
 > Kabsch RMSD of heavy atoms in res. A[13..16],A[21..24],A[27..36],A[40..44],A[46..62],A[89..95],A[100..145],for model 20 is: 0.788 (*)
 >
 > Kabsch RMSD statistics for 20 structures: 
 > Mean RMSD using as refer. str. `average' for res.[13..16],[21..24],[27..36],[40..44],[46..62],[89..95],[100..145], is: 0.945 
 > Range of RMSD values to reference struct. is 0.788 to 1.431

Text report of backbone RMSD for entire protein

 > Kabsch RMSD of backb atoms in res. *[1..158],for model  1 is: 4.993
 > Kabsch RMSD of backb atoms in res. *[1..158],for model  2 is: 3.885
 > Kabsch RMSD of backb atoms in res. *[1..158],for model  3 is: 5.617
 > Kabsch RMSD of backb atoms in res. *[1..158],for model  4 is: 3.932
 > Kabsch RMSD of backb atoms in res. *[1..158],for model  5 is: 6.871
 > Kabsch RMSD of backb atoms in res. *[1..158],for model  6 is: 3.845
 > Kabsch RMSD of backb atoms in res. *[1..158],for model  7 is: 3.358 (*)
 > Kabsch RMSD of backb atoms in res. *[1..158],for model  8 is: 4.031
 > Kabsch RMSD of backb atoms in res. *[1..158],for model  9 is: 4.576
 > Kabsch RMSD of backb atoms in res. *[1..158],for model 10 is: 4.976
 > Kabsch RMSD of backb atoms in res. *[1..158],for model 11 is: 4.986
 > Kabsch RMSD of backb atoms in res. *[1..158],for model 12 is: 4.288
 > Kabsch RMSD of backb atoms in res. *[1..158],for model 13 is: 5.624
 > Kabsch RMSD of backb atoms in res. *[1..158],for model 14 is: 5.649
 > Kabsch RMSD of backb atoms in res. *[1..158],for model 15 is: 6.421
 > Kabsch RMSD of backb atoms in res. *[1..158],for model 16 is: 4.300
 > Kabsch RMSD of backb atoms in res. *[1..158],for model 17 is: 5.468
 > Kabsch RMSD of backb atoms in res. *[1..158],for model 18 is: 3.877
 > Kabsch RMSD of backb atoms in res. *[1..158],for model 19 is: 5.451
 > Kabsch RMSD of backb atoms in res. *[1..158],for model 20 is: 6.847
 >
 > Kabsch RMSD statistics for 20 structures: 
 > Mean RMSD using as refer. str. `average' for res.[1..158], is: 4.950 
 > Range of RMSD values to reference struct. is 3.358 to 6.871

Text report of heavy atom RMSD for entire protein

 > Kabsch RMSD of heavy atoms in res. *[1..158],for model  1 is: 5.501
 > Kabsch RMSD of heavy atoms in res. *[1..158],for model  2 is: 4.302
 > Kabsch RMSD of heavy atoms in res. *[1..158],for model  3 is: 6.111
 > Kabsch RMSD of heavy atoms in res. *[1..158],for model  4 is: 4.626
 > Kabsch RMSD of heavy atoms in res. *[1..158],for model  5 is: 7.417
 > Kabsch RMSD of heavy atoms in res. *[1..158],for model  6 is: 4.335
 > Kabsch RMSD of heavy atoms in res. *[1..158],for model  7 is: 3.818 (*)
 > Kabsch RMSD of heavy atoms in res. *[1..158],for model  8 is: 4.688
 > Kabsch RMSD of heavy atoms in res. *[1..158],for model  9 is: 5.200
 > Kabsch RMSD of heavy atoms in res. *[1..158],for model 10 is: 5.465
 > Kabsch RMSD of heavy atoms in res. *[1..158],for model 11 is: 5.460
 > Kabsch RMSD of heavy atoms in res. *[1..158],for model 12 is: 4.995
 > Kabsch RMSD of heavy atoms in res. *[1..158],for model 13 is: 6.255
 > Kabsch RMSD of heavy atoms in res. *[1..158],for model 14 is: 6.403
 > Kabsch RMSD of heavy atoms in res. *[1..158],for model 15 is: 7.086
 > Kabsch RMSD of heavy atoms in res. *[1..158],for model 16 is: 4.970
 > Kabsch RMSD of heavy atoms in res. *[1..158],for model 17 is: 6.102
 > Kabsch RMSD of heavy atoms in res. *[1..158],for model 18 is: 4.337
 > Kabsch RMSD of heavy atoms in res. *[1..158],for model 19 is: 5.861
 > Kabsch RMSD of heavy atoms in res. *[1..158],for model 20 is: 7.531
 >
 > Kabsch RMSD statistics for 20 structures: 
 > Mean RMSD using as refer. str. `average' for res.[1..158], is: 5.523 
 > Range of RMSD values to reference struct. is 3.818 to 7.531

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	5.0	0.6	0.6
All heavy atoms	5.5	1.0	1.0

Contact Map (constraints list and 3D Coordinates)

JPEG image of Contact Map for Constraints

BER31_R3Cons_em_bcr3.upl.jpg

JPEG image of Contact Map for Coordinates

BER31_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  >>>----------+
 |                                                                            |
 | BER31_R3Cons_em_bcr3_020.rin   0.0                           1920 residues |
 |                                                                            |
 | Ramachandran plot:   94.9% core    5.1% allow    0.0% gener    0.0% disall |
 |                                                                            |
+| All Ramachandrans:   13 labelled residues (out of1920)                     |
+| Chi1-chi2 plots:      7 labelled residues (out of 920)                     |

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
13	-0.03
14	-0.42
15	-0.74
16	-0.90
21	-0.13
22	0.26
23	-1.00
24	0.47
27	0.14
28	-0.71
29	0.00
30	-0.95
31	-0.30
32	-0.37
33	-0.77
34	-0.81
35	-0.14
36	-1.28
37	0.18
40	-0.28
41	-0.20
42	-1.00
43	-0.09
44	-0.79
45	-1.93
46	-0.08
47	-1.66
48	-0.45
49	0.10
50	0.06
51	0.06
52	-0.79
53	-0.81
54	0.82
55	1.01
56	0.50
57	0.76
58	1.16
59	0.98
60	0.86
61	-0.25
62	0.30
63	-0.81
89	-1.06
90	-0.31
91	0.00
92	0.01
93	0.09
94	-0.21
95	-1.96
100	-1.71
101	-0.69
102	-0.48
103	-0.54
104	-0.84
105	0.37
106	0.65
107	0.48
108	-1.67
109	0.65
110	0.49
111	-0.20
112	0.92
113	0.40
114	-0.64
115	0.31
116	-0.55
117	-1.67
118	0.40
119	-0.64
120	-0.80
121	-1.14
122	-0.98
123	0.87
124	1.10
125	0.91
126	0.90
127	0.95
128	0.88
129	1.14
130	1.14
131	1.23
132	0.78
133	0.93
134	0.85
135	0.71
136	0.11
137	-0.13
138	-0.60
139	-2.01
140	0.34
141	0.31
142	0.34
143	-0.81
144	-0.27
145	-0.86
#Reported_Model_Average	-0.131
#Overall_Average_Reported	-0.131

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
13	-0.06
14	0.14
15	-0.17
16	-0.90
21	-0.35
22	0.45
23	-0.11
24	0.53
27	0.37
28	0.08
29	0.35
30	-0.21
31	-0.20
32	-0.37
33	-0.35
34	-0.81
35	-0.06
36	-1.28
37	0.18
40	-0.28
41	0.26
42	-1.00
43	0.01
44	-1.62
45	-1.93
46	0.29
47	-0.41
48	0.11
49	0.10
50	0.06
51	0.49
52	0.05
53	-0.61
54	0.82
55	0.76
56	0.69
57	0.75
58	1.08
59	0.98
60	0.86
61	-0.25
62	0.30
63	0.02
89	-1.06
90	0.35
91	-0.50
92	0.11
93	0.41
94	0.20
95	-1.96
100	-0.58
101	-0.22
102	0.06
103	0.16
104	-0.84
105	0.37
106	0.78
107	0.73
108	-1.05
109	0.72
110	0.49
111	0.34
112	0.91
113	0.40
114	0.13
115	0.31
116	-0.01
117	-1.67
118	0.46
119	0.26
120	-0.80
121	-0.78
122	-0.48
123	0.66
124	0.92
125	0.91
126	0.90
127	0.95
128	0.86
129	0.86
130	0.72
131	1.16
132	0.83
133	0.88
134	0.19
135	0.71
136	0.51
137	-0.13
138	0.02
139	-0.65
140	-0.34
141	0.45
142	-0.28
143	-0.81
144	0.28
145	-0.12
#Reported_Model_Average	0.057
#Overall_Average_Reported	0.057

Output from Verify3D

Verify3D Score over a window of $winsize_s residues

JPEG image for Verify3D Score

Table of Verify3D scores for ordered residues across all models

#verify3d
#Residue\Model	1	2	3	4	5	6	7	8	9	10	11	12	13	14	15	16	17	18	19	20
13	0.08	0.55	0.55	0.08	0.55	0.08	0.08	0.08	0.55	0.08	0.08	0.55	0.55	0.08	0.55	0.08	0.55	0.08	0.08	0.08
14	1.18	1.18	1.18	1.18	0.71	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	0.44	1.18	1.18
15	0.79	0.95	0.95	0.79	0.95	0.79	0.79	0.79	0.79	0.79	0.79	0.95	0.79	0.79	0.79	0.79	0.79	0.79	0.95	0.79
16	0.14	0.14	0.14	0.14	0.14	0.14	-0.52	-0.52	0.14	0.14	-0.52	-0.52	-0.52	0.14	-0.52	-0.52	0.14	0.14	-0.52	0.14
21	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	-0.43	1.25	1.25	1.25	1.25	1.25	1.25
22	1.50	1.07	1.50	1.50	1.50	1.07	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.07	1.50	1.50
23	-0.42	-0.42	-0.42	-0.42	-0.42	-0.42	-0.42	-0.42	-0.42	-0.42	-0.42	-0.42	-0.42	-0.42	-0.42	-0.42	-0.42	-0.42	-0.42	-0.42
24	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18
27	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	-1.66	0.08	0.08	0.08	0.08
28	0.19	0.19	0.19	0.19	0.19	0.19	0.19	0.19	0.19	0.19	0.19	0.19	0.84	0.19	0.19	0.19	0.19	0.19	0.19	0.19
29	0.37	1.32	0.37	1.32	0.37	1.32	1.32	0.37	1.32	0.37	1.32	1.32	1.32	1.32	1.32	0.37	0.37	1.32	0.96	1.32
30	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.17	0.59	0.17	0.34	0.34	0.17	0.34	0.34	0.59	0.34	0.59	0.34	0.34
31	1.04	1.04	0.20	0.20	0.20	1.04	0.20	1.04	1.04	0.20	0.20	0.20	0.20	1.04	0.20	1.04	0.20	1.04	0.20	0.20
32	0.49	0.49	0.49	0.49	0.49	0.49	-0.25	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49
33	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50
34	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59
35	1.32	0.96	0.96	0.96	0.96	1.32	0.96	1.32	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	1.32	0.96	0.96
36	0.14	0.49	-0.25	0.49	0.49	0.49	0.49	-0.25	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.14	-0.25	-0.25	-0.25	-0.25
37	0.64	0.64	-0.07	0.59	0.64	0.64	-0.07	0.59	-0.11	0.64	-0.07	0.64	0.64	0.59	0.64	0.64	0.64	0.64	-0.07	0.64
40	0.64	0.44	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.44	0.25	0.44	0.44	0.64	0.44	0.44	0.25	0.25	0.44	0.64
41	1.00	-0.09	1.00	1.00	1.00	-0.09	-0.09	1.00	-0.09	1.00	1.00	1.00	0.66	-0.09	1.00	1.00	1.00	-0.09	-0.09	0.66
42	-0.52	-0.52	0.14	0.14	0.14	0.14	0.14	0.14	-0.52	-0.52	0.14	0.59	0.14	-0.52	-0.52	0.14	0.14	0.14	0.59	0.14
43	0.65	0.49	0.65	0.65	0.65	0.65	0.65	0.65	0.49	0.49	0.65	0.65	0.49	0.49	0.65	0.49	0.65	0.65	0.49	0.65
44	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96
45	0.44	0.25	0.25	0.25	0.44	0.25	0.44	0.44	0.44	0.25	0.44	0.44	0.25	0.44	0.25	0.64	0.25	0.25	0.44	0.44
46	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
47	0.10	0.25	0.25	-0.03	0.25	0.25	0.25	0.25	-0.03	0.25	-0.03	-0.03	-0.03	0.10	-0.03	0.25	-0.03	0.25	-0.03	-0.03
48	0.24	0.71	0.24	0.71	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	-0.41	0.24	-0.41	0.24	0.71	0.24	-0.41
49	0.64	0.64	0.59	0.64	-0.11	0.59	0.59	0.64	0.59	0.64	0.64	-0.07	0.64	0.64	0.64	0.64	-0.07	0.64	0.64	0.59
50	0.14	0.14	-0.25	0.14	0.14	0.14	-0.25	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14
51	0.51	0.51	0.51	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	0.51	0.51	0.51	0.51
52	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93
53	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08
54	0.76	-0.02	0.76	-0.02	0.76	-0.02	0.76	0.76	0.76	-0.02	-0.02	0.76	-0.02	0.76	-0.02	0.76	0.44	-0.02	-0.02	0.76
55	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16
56	0.16	0.71	0.16	0.16	0.71	0.71	0.16	0.16	0.71	0.71	0.16	0.71	0.71	0.71	0.71	0.16	-0.30	0.16	0.71	0.16
57	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30
58	-0.32	-0.32	-0.32	-0.32	-0.32	-0.32	-0.32	0.16	-0.32	-0.32	-0.32	-0.32	-0.32	-1.38	-0.32	-0.32	-0.32	-0.32	-0.32	-0.32
59	-0.32	-0.32	0.62	0.62	0.62	0.62	0.62	-0.32	-0.32	0.62	0.62	0.16	0.62	0.62	0.62	0.62	-0.32	0.62	0.62	0.62
60	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76
61	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49
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	1.10	1.10
63	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	0.77	-0.33	1.06	-0.33	1.06	1.06	0.77	1.06	1.06	0.77	1.06	1.06
89	-0.07	0.64	-0.07	0.64	0.64	0.64	-0.07	0.64	0.59	0.64	0.64	0.59	0.59	0.64	0.59	-0.07	-0.07	0.64	0.59	0.59
90	-0.46	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28
91	0.44	0.71	0.44	0.44	0.44	0.44	0.16	0.44	0.71	0.44	0.44	0.16	0.44	0.44	0.44	0.71	0.44	0.71	0.44	0.44
92	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07
93	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07
94	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18
95	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75
100	0.25	0.25	-0.03	0.25	0.25	0.25	-0.03	0.25	-0.03	0.25	0.25	-0.03	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25
101	1.04	0.20	1.04	0.20	1.04	1.04	1.04	0.20	1.04	1.04	1.04	1.04	1.04	0.20	0.20	1.04	1.04	0.20	0.20	1.04
102	-1.14	-1.14	-1.14	-0.68	-0.68	-1.14	-0.68	-1.14	-1.14	-1.14	-1.14	-1.14	-1.14	-1.14	-1.14	-0.68	-1.14	-1.14	-0.68	-1.14
103	1.06	1.06	1.06	1.06	1.06	0.77	1.06	0.77	1.06	1.06	1.06	1.06	1.06	1.06	0.77	1.06	0.77	1.06	0.77	1.06
104	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
105	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	-0.25	0.05	0.05
106	0.60	0.62	0.62	0.60	0.60	0.60	0.60	0.60	0.62	0.60	0.60	0.60	0.60	0.60	0.62	0.60	0.62	0.62	0.60	0.60
107	0.62	-0.32	0.62	0.16	0.16	0.62	0.62	0.62	0.62	0.62	0.62	0.16	0.62	0.16	0.62	0.16	0.62	-0.32	0.62	0.16
108	0.30	0.74	0.30	0.30	0.30	0.30	0.74	0.30	0.74	0.74	0.30	0.74	0.74	0.74	0.74	0.30	0.30	0.30	0.74	0.30
109	-0.20	0.56	0.56	-0.20	0.56	-0.20	-0.20	-0.20	0.56	0.56	0.56	0.56	0.56	-0.20	0.56	-0.20	0.56	0.56	0.56	-0.20
110	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.41	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25
111	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30
112	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46
113	0.14	0.14	0.14	0.14	-0.25	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14
114	-0.83	1.00	1.00	0.23	0.23	0.23	1.00	0.23	-0.90	1.00	0.23	-0.90	-0.90	1.00	0.23	-0.83	0.91	0.23	1.00	0.23
115	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
116	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	0.66	1.00	1.00	1.00	1.00	1.00	1.00
117	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75
118	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18
119	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41
120	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	-0.52	-0.52	-0.52	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59
121	-0.68	-0.68	-0.76	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68
122	0.51	0.51	0.23	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51
123	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	-0.13	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39
124	0.62	0.62	0.62	0.62	0.62	0.29	0.29	0.29	0.62	0.29	0.62	0.62	0.62	0.29	0.62	0.62	0.62	0.62	0.29	0.29
125	0.44	0.76	0.44	0.44	0.44	0.44	0.44	0.44	0.76	0.44	0.44	0.76	0.76	0.44	0.44	0.44	0.44	0.44	-0.02	0.44
126	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76
127	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76
128	0.56	-0.20	1.10	-0.20	0.56	-0.20	-0.20	0.56	0.56	-0.20	-0.20	-0.20	-0.20	-0.20	-0.20	0.56	0.56	0.56	-0.20	-0.20
129	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39
130	0.27	0.27	0.27	0.27	0.27	0.86	0.27	0.27	0.27	0.86	0.27	0.27	0.27	0.86	0.27	0.27	0.27	0.86	0.27	0.27
131	-0.58	-0.58	-0.48	-0.58	-0.58	-0.02	-0.58	-0.58	-0.58	-0.02	-0.58	-0.58	-0.02	-0.58	-0.02	-0.58	-0.58	-0.58	-0.58	-0.02
132	-0.59	-0.59	-0.02	-0.59	-0.59	-0.59	-0.59	-0.59	-0.06	-0.59	-2.36	-0.59	-0.59	-0.59	-0.59	-0.59	-0.59	-0.59	-0.59	-0.59
133	1.30	1.30	1.30	0.71	0.71	1.30	0.71	-0.30	1.30	0.71	1.30	1.30	0.71	-0.30	0.71	1.30	1.30	0.71	0.71	1.30
134	1.02	1.02	1.02	1.02	1.02	1.02	1.02	1.02	1.02	1.02	1.02	1.02	0.87	0.87	1.02	1.02	1.02	1.02	1.02	0.87
135	0.76	0.76	0.76	0.44	0.44	0.44	0.44	-0.02	0.76	0.44	0.44	-0.02	0.44	0.44	0.44	0.76	0.76	0.76	0.44	0.44
136	-0.58	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	-0.43	0.62	0.09	0.62	0.62
137	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
138	0.24	0.24	0.24	0.24	0.24	0.71	0.24	0.71	0.24	0.71	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24
139	0.24	0.24	0.24	0.24	0.24	0.71	0.71	0.24	0.71	0.24	0.24	0.24	0.24	0.71	0.71	0.24	0.24	0.24	0.71	0.71
140	1.18	0.71	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18
141	0.16	0.71	0.44	0.16	0.16	0.71	0.71	0.16	0.71	0.71	0.44	0.71	0.71	1.18	0.71	0.16	0.08	0.71	1.18	0.16
142	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18
143	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59
144	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07
145	0.77	1.06	1.06	0.77	1.06	1.06	0.77	0.77	0.77	1.06	0.77	0.77	0.77	0.77	0.29	1.06	0.77	1.06	0.77	0.77
#Reported_Model_Average	0.529	0.571	0.579	0.549	0.570	0.588	0.539	0.529	0.567	0.560	0.528	0.543	0.572	0.527	0.561	0.528	0.544	0.551	0.551	0.555
#Overall_Average_Reported	0.552

Output from ProsaII

ProsaII Score over a window of $winsize_s residues

JPEG image for ProsaII Score

Table of Verify3D scores for ordered residues across all models

#verify3d
#Residue\Model	1	2	3	4	5	6	7	8	9	10	11	12	13	14	15	16	17	18	19	20
13	0.08	0.55	0.55	0.08	0.55	0.08	0.08	0.08	0.55	0.08	0.08	0.55	0.55	0.08	0.55	0.08	0.55	0.08	0.08	0.08
14	1.18	1.18	1.18	1.18	0.71	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	0.44	1.18	1.18
15	0.79	0.95	0.95	0.79	0.95	0.79	0.79	0.79	0.79	0.79	0.79	0.95	0.79	0.79	0.79	0.79	0.79	0.79	0.95	0.79
16	0.14	0.14	0.14	0.14	0.14	0.14	-0.52	-0.52	0.14	0.14	-0.52	-0.52	-0.52	0.14	-0.52	-0.52	0.14	0.14	-0.52	0.14
21	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	-0.43	1.25	1.25	1.25	1.25	1.25	1.25
22	1.50	1.07	1.50	1.50	1.50	1.07	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.07	1.50	1.50
23	-0.42	-0.42	-0.42	-0.42	-0.42	-0.42	-0.42	-0.42	-0.42	-0.42	-0.42	-0.42	-0.42	-0.42	-0.42	-0.42	-0.42	-0.42	-0.42	-0.42
24	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18
27	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	-1.66	0.08	0.08	0.08	0.08
28	0.19	0.19	0.19	0.19	0.19	0.19	0.19	0.19	0.19	0.19	0.19	0.19	0.84	0.19	0.19	0.19	0.19	0.19	0.19	0.19
29	0.37	1.32	0.37	1.32	0.37	1.32	1.32	0.37	1.32	0.37	1.32	1.32	1.32	1.32	1.32	0.37	0.37	1.32	0.96	1.32
30	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.17	0.59	0.17	0.34	0.34	0.17	0.34	0.34	0.59	0.34	0.59	0.34	0.34
31	1.04	1.04	0.20	0.20	0.20	1.04	0.20	1.04	1.04	0.20	0.20	0.20	0.20	1.04	0.20	1.04	0.20	1.04	0.20	0.20
32	0.49	0.49	0.49	0.49	0.49	0.49	-0.25	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49
33	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50
34	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59
35	1.32	0.96	0.96	0.96	0.96	1.32	0.96	1.32	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	1.32	0.96	0.96
36	0.14	0.49	-0.25	0.49	0.49	0.49	0.49	-0.25	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.14	-0.25	-0.25	-0.25	-0.25
37	0.64	0.64	-0.07	0.59	0.64	0.64	-0.07	0.59	-0.11	0.64	-0.07	0.64	0.64	0.59	0.64	0.64	0.64	0.64	-0.07	0.64
40	0.64	0.44	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.44	0.25	0.44	0.44	0.64	0.44	0.44	0.25	0.25	0.44	0.64
41	1.00	-0.09	1.00	1.00	1.00	-0.09	-0.09	1.00	-0.09	1.00	1.00	1.00	0.66	-0.09	1.00	1.00	1.00	-0.09	-0.09	0.66
42	-0.52	-0.52	0.14	0.14	0.14	0.14	0.14	0.14	-0.52	-0.52	0.14	0.59	0.14	-0.52	-0.52	0.14	0.14	0.14	0.59	0.14
43	0.65	0.49	0.65	0.65	0.65	0.65	0.65	0.65	0.49	0.49	0.65	0.65	0.49	0.49	0.65	0.49	0.65	0.65	0.49	0.65
44	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96
45	0.44	0.25	0.25	0.25	0.44	0.25	0.44	0.44	0.44	0.25	0.44	0.44	0.25	0.44	0.25	0.64	0.25	0.25	0.44	0.44
46	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
47	0.10	0.25	0.25	-0.03	0.25	0.25	0.25	0.25	-0.03	0.25	-0.03	-0.03	-0.03	0.10	-0.03	0.25	-0.03	0.25	-0.03	-0.03
48	0.24	0.71	0.24	0.71	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	-0.41	0.24	-0.41	0.24	0.71	0.24	-0.41
49	0.64	0.64	0.59	0.64	-0.11	0.59	0.59	0.64	0.59	0.64	0.64	-0.07	0.64	0.64	0.64	0.64	-0.07	0.64	0.64	0.59
50	0.14	0.14	-0.25	0.14	0.14	0.14	-0.25	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14
51	0.51	0.51	0.51	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	0.51	0.51	0.51	0.51
52	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93
53	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08
54	0.76	-0.02	0.76	-0.02	0.76	-0.02	0.76	0.76	0.76	-0.02	-0.02	0.76	-0.02	0.76	-0.02	0.76	0.44	-0.02	-0.02	0.76
55	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16
56	0.16	0.71	0.16	0.16	0.71	0.71	0.16	0.16	0.71	0.71	0.16	0.71	0.71	0.71	0.71	0.16	-0.30	0.16	0.71	0.16
57	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30
58	-0.32	-0.32	-0.32	-0.32	-0.32	-0.32	-0.32	0.16	-0.32	-0.32	-0.32	-0.32	-0.32	-1.38	-0.32	-0.32	-0.32	-0.32	-0.32	-0.32
59	-0.32	-0.32	0.62	0.62	0.62	0.62	0.62	-0.32	-0.32	0.62	0.62	0.16	0.62	0.62	0.62	0.62	-0.32	0.62	0.62	0.62
60	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76
61	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49
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	1.10	1.10
63	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	0.77	-0.33	1.06	-0.33	1.06	1.06	0.77	1.06	1.06	0.77	1.06	1.06
89	-0.07	0.64	-0.07	0.64	0.64	0.64	-0.07	0.64	0.59	0.64	0.64	0.59	0.59	0.64	0.59	-0.07	-0.07	0.64	0.59	0.59
90	-0.46	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28
91	0.44	0.71	0.44	0.44	0.44	0.44	0.16	0.44	0.71	0.44	0.44	0.16	0.44	0.44	0.44	0.71	0.44	0.71	0.44	0.44
92	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07
93	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07
94	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18
95	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75
100	0.25	0.25	-0.03	0.25	0.25	0.25	-0.03	0.25	-0.03	0.25	0.25	-0.03	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25
101	1.04	0.20	1.04	0.20	1.04	1.04	1.04	0.20	1.04	1.04	1.04	1.04	1.04	0.20	0.20	1.04	1.04	0.20	0.20	1.04
102	-1.14	-1.14	-1.14	-0.68	-0.68	-1.14	-0.68	-1.14	-1.14	-1.14	-1.14	-1.14	-1.14	-1.14	-1.14	-0.68	-1.14	-1.14	-0.68	-1.14
103	1.06	1.06	1.06	1.06	1.06	0.77	1.06	0.77	1.06	1.06	1.06	1.06	1.06	1.06	0.77	1.06	0.77	1.06	0.77	1.06
104	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
105	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	-0.25	0.05	0.05
106	0.60	0.62	0.62	0.60	0.60	0.60	0.60	0.60	0.62	0.60	0.60	0.60	0.60	0.60	0.62	0.60	0.62	0.62	0.60	0.60
107	0.62	-0.32	0.62	0.16	0.16	0.62	0.62	0.62	0.62	0.62	0.62	0.16	0.62	0.16	0.62	0.16	0.62	-0.32	0.62	0.16
108	0.30	0.74	0.30	0.30	0.30	0.30	0.74	0.30	0.74	0.74	0.30	0.74	0.74	0.74	0.74	0.30	0.30	0.30	0.74	0.30
109	-0.20	0.56	0.56	-0.20	0.56	-0.20	-0.20	-0.20	0.56	0.56	0.56	0.56	0.56	-0.20	0.56	-0.20	0.56	0.56	0.56	-0.20
110	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.41	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25
111	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30
112	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46
113	0.14	0.14	0.14	0.14	-0.25	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14
114	-0.83	1.00	1.00	0.23	0.23	0.23	1.00	0.23	-0.90	1.00	0.23	-0.90	-0.90	1.00	0.23	-0.83	0.91	0.23	1.00	0.23
115	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
116	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	0.66	1.00	1.00	1.00	1.00	1.00	1.00
117	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75	1.75
118	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18
119	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41
120	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	-0.52	-0.52	-0.52	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59
121	-0.68	-0.68	-0.76	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68
122	0.51	0.51	0.23	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51
123	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	-0.13	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39
124	0.62	0.62	0.62	0.62	0.62	0.29	0.29	0.29	0.62	0.29	0.62	0.62	0.62	0.29	0.62	0.62	0.62	0.62	0.29	0.29
125	0.44	0.76	0.44	0.44	0.44	0.44	0.44	0.44	0.76	0.44	0.44	0.76	0.76	0.44	0.44	0.44	0.44	0.44	-0.02	0.44
126	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76
127	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76
128	0.56	-0.20	1.10	-0.20	0.56	-0.20	-0.20	0.56	0.56	-0.20	-0.20	-0.20	-0.20	-0.20	-0.20	0.56	0.56	0.56	-0.20	-0.20
129	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39
130	0.27	0.27	0.27	0.27	0.27	0.86	0.27	0.27	0.27	0.86	0.27	0.27	0.27	0.86	0.27	0.27	0.27	0.86	0.27	0.27
131	-0.58	-0.58	-0.48	-0.58	-0.58	-0.02	-0.58	-0.58	-0.58	-0.02	-0.58	-0.58	-0.02	-0.58	-0.02	-0.58	-0.58	-0.58	-0.58	-0.02
132	-0.59	-0.59	-0.02	-0.59	-0.59	-0.59	-0.59	-0.59	-0.06	-0.59	-2.36	-0.59	-0.59	-0.59	-0.59	-0.59	-0.59	-0.59	-0.59	-0.59
133	1.30	1.30	1.30	0.71	0.71	1.30	0.71	-0.30	1.30	0.71	1.30	1.30	0.71	-0.30	0.71	1.30	1.30	0.71	0.71	1.30
134	1.02	1.02	1.02	1.02	1.02	1.02	1.02	1.02	1.02	1.02	1.02	1.02	0.87	0.87	1.02	1.02	1.02	1.02	1.02	0.87
135	0.76	0.76	0.76	0.44	0.44	0.44	0.44	-0.02	0.76	0.44	0.44	-0.02	0.44	0.44	0.44	0.76	0.76	0.76	0.44	0.44
136	-0.58	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	-0.43	0.62	0.09	0.62	0.62
137	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
138	0.24	0.24	0.24	0.24	0.24	0.71	0.24	0.71	0.24	0.71	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24
139	0.24	0.24	0.24	0.24	0.24	0.71	0.71	0.24	0.71	0.24	0.24	0.24	0.24	0.71	0.71	0.24	0.24	0.24	0.71	0.71
140	1.18	0.71	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18
141	0.16	0.71	0.44	0.16	0.16	0.71	0.71	0.16	0.71	0.71	0.44	0.71	0.71	1.18	0.71	0.16	0.08	0.71	1.18	0.16
142	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18
143	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59
144	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07
145	0.77	1.06	1.06	0.77	1.06	1.06	0.77	0.77	0.77	1.06	0.77	0.77	0.77	0.77	0.29	1.06	0.77	1.06	0.77	0.77
#Reported_Model_Average	0.529	0.571	0.579	0.549	0.570	0.588	0.539	0.529	0.567	0.560	0.528	0.543	0.572	0.527	0.561	0.528	0.544	0.551	0.551	0.555
#Overall_Average_Reported	0.552

Output from MolProbity

VdW violations from MAGE

JPEG image for MAGE VdW violation

Table of MAGE VdW violations for ordered residues across all models

#mage_clash
#Residue\Model	1	2	3	4	5	6	7	8	9	10	11	12	13	14	15	16	17	18	19	20
13.000	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0
14.000	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	1	1
15.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
16.000	0	1	1	1	1	0	0	1	1	1	1	0	0	0	0	1	1	1	1	0
21.000	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0
22.000	0	0	0	0	0	0	0	0	0	0	0	1	0	1	3	0	0	0	0	0
23.000	0	1	1	2	1	0	0	1	1	1	2	0	0	0	0	1	1	1	1	0
24.000	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	1	2
27.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
28.000	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0
29.000	0	0	0	0	0	0	0	0	0	0	0	0	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	1	0	0	0	0
31.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0
32.000	0	0	0	0	0	0	0	1	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	0	0
34.000	0	1	0	0	1	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0
35.000	1	0	1	1	1	0	1	1	1	1	1	1	0	1	1	1	1	0	0	0
36.000	0	0	1	0	0	0	0	0	2	0	2	0	0	0	1	0	0	0	1	1
37.000	0	0	2	1	0	0	1	1	2	0	1	0	1	0	0	1	1	1	2	1
40.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0
41.000	1	0	1	1	1	0	1	1	1	1	1	1	0	1	1	1	1	0	0	0
42.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
43.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
44.000	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	1
45.000	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	1
46.000	2	1	0	1	1	0	0	1	0	0	0	1	0	1	1	1	0	1	1	0
47.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
48.000	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0
49.000	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0
50.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
51.000	1	0	0	1	0	0	0	0	0	0	0	0	0	1	1	1	0	1	1	0
52.000	0	0	1	0	0	1	0	0	2	2	0	0	3	0	0	0	1	0	0	0
53.000	1	0	1	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0
54.000	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
55.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
56.000	1	0	1	0	1	1	0	2	1	1	0	2	1	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	1	0	0	0
58.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0
59.000	0	0	1	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	0	0
61.000	0	0	0	0	0	0	0	0	0	0	0	0	1	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	0	0
63.000	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	0
89.000	0	0	1	0	0	1	0	0	2	1	0	0	2	0	1	0	0	0	0	1
90.000	0	1	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0
91.000	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	1	0	1	0	1
92.000	0	0	0	0	0	0	0	0	0	0	0	0	1	2	0	0	0	0	0	0
93.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
94.000	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0
95.000	2	1	0	0	0	1	0	0	1	1	1	0	0	0	0	0	0	0	0	1
100.000	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
101.000	1	0	1	0	0	0	0	0	2	1	0	0	1	0	0	0	1	0	0	0
102.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
103.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
104.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
105.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
106.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
107.000	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
108.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
109.000	1	1	1	1	1	0	1	0	1	1	1	0	1	1	1	0	1	1	1	1
110.000	1	1	1	1	1	0	1	0	1	1	1	0	1	1	1	0	0	1	1	1
111.000	1	1	1	1	0	1	1	0	1	1	0	1	1	0	0	1	0	1	1	1
112.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
113.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
114.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
115.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
116.000	1	1	1	1	0	2	1	0	1	1	0	1	1	0	0	1	0	1	1	1
117.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
118.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
119.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
120.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
121.000	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0
122.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
123.000	2	1	0	0	0	1	0	0	0	1	1	0	0	0	0	1	0	1	0	1
124.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
125.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
126.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
127.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
128.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
129.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
130.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
131.000	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0
132.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
133.000	0	0	0	0	0	0	0	3	0	0	1	0	0	1	0	1	0	1	0	0
134.000	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0
135.000	1	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0
136.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
137.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
138.000	0	0	0	0	0	0	0	4	0	0	0	0	0	0	0	0	0	0	0	0
139.000	0	1	0	0	1	0	1	0	2	0	0	0	1	0	0	0	0	0	0	1
140.000	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	1
141.000	0	0	1	0	0	0	0	0	2	0	1	0	1	0	1	0	0	0	0	0
142.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
143.000	0	1	0	0	1	1	0	0	0	0	0	0	1	1	0	0	0	0	0	0
144.000	0	0	0	0	0	0	0	0	0	0	0	1	0	1	2	0	0	1	0	0
145.000	1	0	0	0	0	0	0	0	0	0	0	1	1	0	0	1	0	1	0	1
#Reported_Model_Average	0.188	0.167	0.229	0.135	0.125	0.135	0.135	0.188	0.292	0.167	0.188	0.156	0.198	0.156	0.146	0.156	0.135	0.156	0.177	0.188
#Overall_Average_Reported	0.171

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2349:A  46 VAL 3HG1 :A  51 ASP 1HB  :   -0.499:        0
:  2349:A  46 VAL 2HG1 :A 145 LEU 1HD2 :   -0.415:        0

:  2349:A 116 VAL  HB  :A 111 LEU 2HB  :   -0.481:        0

:  2349:A  35 PHE 2HB  :A  41 VAL  HA  :   -0.447:        0

:  2349:A  77 PRO  O   :A  78 GLU 1HB  :   -0.434:        0

:  2349:A 123 THR  HA  :A  95 GLY  CA  :   -0.431:        0

:  2349:A 135 ALA 3HB  :A   1 MET 2HG  :   -0.431:        0

:  2349:A 123 THR  HA  :A  95 GLY 2HA  :   -0.419:        0

:  2349:A  96 THR 1HG2 :A 101 HIS  H   :   -0.421:        0

:  2349:A  53 THR  H   :A  56 LEU 1HB  :   -0.415:        0

:  2349:A 110 PRO 2HD  :A 109 ARG 2HB  :   -0.408:        0
#sum2 ::4.68 clashscore : 4.68 clashscore B<40 
#summary::2349 atoms:2349 atoms B<40:263844 potential dots:16490.0 A^2:11 bumps:11 bumps B<40:863.1 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2349:A   8 ALA 3HB  :A   7 PRO  O   :   -0.539:        0
:  2349:A   7 PRO  O   :A   8 ALA  CB  :   -0.409:        0

:  2349:A 116 VAL  HB  :A 111 LEU 2HB  :   -0.505:        0

:  2349:A 123 THR  HA  :A  95 GLY 2HA  :   -0.484:        0

:  2349:A 121 MET  HA  :A 100 GLN 2HG  :   -0.448:        0

:  2349:A  90 GLU 2HG  :A 139 ARG 2HD  :   -0.424:        0

:  2349:A 158 HIS  CG  :A 158 HIS  O   :   -0.410:        0

:  2349:A 110 PRO 2HD  :A 109 ARG 2HB  :   -0.409:        0

:  2349:A  44 TRP  C   :A  46 VAL  H   :   -0.408:        0

:  2349:A  16 ALA 3HB  :A  23 GLU 2HB  :   -0.403:        0

:  2349:A  34 ALA  HA  :A 143 ALA  HA  :   -0.402:        0
#sum2 ::4.68 clashscore : 4.68 clashscore B<40 
#summary::2349 atoms:2349 atoms B<40:263760 potential dots:16480.0 A^2:11 bumps:11 bumps B<40:859.7 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2349:A  59 GLN 1HG  :A  64 ALA  HA  :   -0.565:        0

:  2349:A  35 PHE 2HB  :A  41 VAL  HA  :   -0.516:        0

:  2349:A 116 VAL  HB  :A 111 LEU 2HB  :   -0.490:        0

:  2349:A 131 ASN 2HB  :A   3 LEU 2HD2 :   -0.478:        0

:  2349:A  53 THR  H   :A  56 LEU 1HB  :   -0.475:        0

:  2349:A  37 PRO  HA  :A  12 ASN 2HB  :   -0.466:        0
:  2349:A  37 PRO 1HD  :A  36 ALA 1HB  :   -0.417:        0

:  2349:A 107 GLN  HA  :A  54 ALA 2HB  :   -0.465:        0

:  2349:A 110 PRO 2HD  :A 109 ARG 2HB  :   -0.455:        0

:  2349:A  52 ILE  HB  :A 101 HIS  CD2 :   -0.453:        0

:  2349:A  89 PRO 2HB  :A 141 VAL 3HG2 :   -0.443:        0

:  2349:A 155 HIS  O   :A 156 HIS 1HB  :   -0.442:        0

:  2349:A 135 ALA 1HB  :A   6 ASP 2HB  :   -0.404:        0

:  2349:A  16 ALA 3HB  :A  23 GLU 2HB  :   -0.402:        0
#sum2 ::5.96 clashscore : 5.96 clashscore B<40 
#summary::2349 atoms:2349 atoms B<40:263680 potential dots:16480.0 A^2:14 bumps:14 bumps B<40:800.9 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2349:A  37 PRO  HA  :A  12 ASN 1HB  :   -0.505:        0

:  2349:A  35 PHE 2HB  :A  41 VAL  HA  :   -0.496:        0

:  2349:A  76 GLU 2HB  :A  77 PRO 2HD  :   -0.454:        0

:  2349:A 116 VAL  HB  :A 111 LEU 2HB  :   -0.431:        0

:  2349:A  16 ALA 3HB  :A  23 GLU 2HB  :   -0.426:        0
:  2349:A  23 GLU  HA  :A  28 ARG  HA  :   -0.420:        0

:  2349:A 109 ARG  N   :A 110 PRO  CD  :   -0.411:        0

:  2349:A  46 VAL 3HG1 :A  51 ASP 1HB  :   -0.408:        0
#sum2 ::3.41 clashscore : 3.41 clashscore B<40 
#summary::2349 atoms:2349 atoms B<40:263818 potential dots:16490.0 A^2:8 bumps:8 bumps B<40:839.1 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2349:A  35 PHE 2HB  :A  41 VAL  HA  :   -0.522:        0

:  2349:A 110 PRO 2HD  :A 109 ARG 2HB  :   -0.477:        0

:  2349:A  16 ALA 3HB  :A  23 GLU 2HB  :   -0.434:        0

:  2349:A 139 ARG 1HB  :A  90 GLU 2HG  :   -0.419:        0

:  2349:A  46 VAL 2HG2 :A  56 LEU 3HD1 :   -0.417:        0

:  2349:A  34 ALA  HA  :A 143 ALA  HA  :   -0.413:        0

:  2349:A  38 GLU  HA  :A  10 ALA  HA  :   -0.407:        0
#sum2 ::2.98 clashscore : 2.98 clashscore B<40 
#summary::2349 atoms:2349 atoms B<40:263889 potential dots:16490.0 A^2:7 bumps:7 bumps B<40:794.7 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2349:A 116 VAL  HB  :A 111 LEU 2HB  :   -0.505:        0
:  2349:A  89 PRO  O   :A 116 VAL 2HG2 :   -0.401:        0

:  2349:A  21 TYR  CZ  :A  18 GLY 2HA  :   -0.461:        0

:  2349:A  34 ALA  HA  :A 143 ALA  HA  :   -0.443:        0

:  2349:A  52 ILE  HA  :A  56 LEU 2HD1 :   -0.439:        0

:  2349:A 123 THR  HA  :A  95 GLY 2HA  :   -0.430:        0

:  2349:A  24 VAL 2HG2 :A  14 VAL 2HG2 :   -0.427:        0
#sum2 ::2.98 clashscore : 2.98 clashscore B<40 
#summary::2349 atoms:2349 atoms B<40:264052 potential dots:16500.0 A^2:7 bumps:7 bumps B<40:900.6 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2349:A  37 PRO  HA  :A  12 ASN 1HB  :   -0.509:        0

:  2349:A  35 PHE 2HB  :A  41 VAL  HA  :   -0.505:        0

:  2349:A 110 PRO 2HD  :A 109 ARG 2HB  :   -0.483:        0

:  2349:A   8 ALA 2HB  :A 135 ALA  HA  :   -0.443:        0

:  2349:A 139 ARG  O   :A  90 GLU 2HB  :   -0.441:        0

:  2349:A 116 VAL  HB  :A 111 LEU 2HB  :   -0.441:        0

:  2349:A  49 PRO 2HD  :A  48 ARG  HA  :   -0.412:        0

:  2349:A  21 TYR  CE1 :A  18 GLY 2HA  :   -0.408:        0
#sum2 ::3.41 clashscore : 3.41 clashscore B<40 
#summary::2349 atoms:2349 atoms B<40:263763 potential dots:16490.0 A^2:8 bumps:8 bumps B<40:857.3 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2349:A 138 ARG 1HD  :A 138 ARG  O   :   -0.637:        0
:  2349:A 138 ARG  C   :A 138 ARG 1HD  :   -0.445:        0

:  2349:A   7 PRO  O   :A   8 ALA  CB  :   -0.626:        0
:  2349:A   7 PRO  O   :A   8 ALA 3HB  :   -0.413:        0

:  2349:A  35 PHE 2HB  :A  41 VAL  HA  :   -0.489:        0

:  2349:A  37 PRO  HA  :A  12 ASN 1HB  :   -0.465:        0

:  2349:A  53 THR  H   :A  56 LEU 1HB  :   -0.451:        0
:  2349:A  46 VAL 2HG2 :A  56 LEU 3HD1 :   -0.425:        0

:  2349:A 152 GLU 2HG  :A 154 HIS  H   :   -0.437:        0

:  2349:A   9 THR  O   :A  10 ALA 3HB  :   -0.433:        0

:  2349:A  16 ALA 3HB  :A  23 GLU 2HB  :   -0.429:        0

:  2349:A  32 ALA  HA  :A 146 PRO 1HD  :   -0.420:        0

:  2349:A 133 LEU  O   :A 133 LEU 2HD1 :   -0.414:        0
:  2349:A 133 LEU 1HD2 :A  91 VAL 1HG1 :   -0.408:        0
#sum2 ::5.96 clashscore : 5.96 clashscore B<40 
#summary::2349 atoms:2349 atoms B<40:263822 potential dots:16490.0 A^2:14 bumps:14 bumps B<40:795.4 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2349:A  86 ALA  O   :A 139 ARG  NH1 :   -0.485:        0
:  2349:A  89 PRO  HA  :A 139 ARG  CD  :   -0.456:        0
:  2349:A  36 ALA 1HB  :A  37 PRO 1HD  :   -0.442:        0
:  2349:A  37 PRO  HA  :A  12 ASN 1HB  :   -0.414:        0
:  2349:A 141 VAL 3HG2 :A  89 PRO 2HB  :   -0.407:        0
:  2349:A  36 ALA 2HB  :A 141 VAL 2HG2 :   -0.402:        0

:  2349:A  52 ILE  HB  :A 101 HIS  CD2 :   -0.459:        0
:  2349:A 101 HIS 2HB  :A  96 THR 1HG2 :   -0.430:        0
:  2349:A  56 LEU 2HD1 :A  52 ILE  HA  :   -0.404:        0

:  2349:A 110 PRO 2HD  :A 109 ARG 2HB  :   -0.455:        0

:  2349:A  99 ARG  O   :A  99 ARG 2HD  :   -0.451:        0

:  2349:A 131 ASN 2HB  :A   1 MET 2HG  :   -0.444:        0

:  2349:A  48 ARG  HA  :A  49 PRO 2HD  :   -0.433:        0

:  2349:A   3 LEU 2HD2 :A  11 LEU 1HB  :   -0.432:        0

:  2349:A 147 ASP 2HB  :A 151 LEU 1HB  :   -0.427:        0

:  2349:A  23 GLU 2HB  :A  16 ALA 3HB  :   -0.426:        0

:  2349:A 111 LEU 2HB  :A 116 VAL  HB  :   -0.423:        0

:  2349:A  35 PHE 2HB  :A  41 VAL  HA  :   -0.420:        0

:  2349:A   4 HIS  CD2 :A   4 HIS  C   :   -0.411:        0

:  2349:A  95 GLY 1HA  :A 121 MET  O   :   -0.410:        0
#sum2 ::8.51 clashscore : 8.51 clashscore B<40 
#summary::2349 atoms:2349 atoms B<40:263773 potential dots:16490.0 A^2:20 bumps:20 bumps B<40:781.5 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2349:A  89 PRO 1HD  :A  88 ALA 1HB  :   -0.531:        0

:  2349:A  87 ASN 1HB  :A  84 ARG 2HB  :   -0.503:        0

:  2349:A   6 ASP 1HB  :A   7 PRO  CD  :   -0.470:        0
:  2349:A   7 PRO 1HD  :A   6 ASP 1HB  :   -0.431:        0

:  2349:A 116 VAL  HB  :A 111 LEU 2HB  :   -0.464:        0

:  2349:A  52 ILE  HB  :A 101 HIS  CD2 :   -0.441:        0
:  2349:A  52 ILE  HA  :A  56 LEU 2HD1 :   -0.415:        0

:  2349:A  16 ALA 3HB  :A  23 GLU 2HB  :   -0.438:        0

:  2349:A  35 PHE 2HB  :A  41 VAL  HA  :   -0.438:        0

:  2349:A 110 PRO 2HD  :A 109 ARG 2HB  :   -0.437:        0

:  2349:A 123 THR  HA  :A  95 GLY 2HA  :   -0.436:        0

:  2349:A  69 ASP  N   :A  70 PRO 2HD  :   -0.417:        0

:  2349:A  13 THR  O   :A  25 ASN  N   :   -0.401:        0
#sum2 ::5.53 clashscore : 5.53 clashscore B<40 
#summary::2349 atoms:2349 atoms B<40:263848 potential dots:16490.0 A^2:13 bumps:13 bumps B<40:778.6 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2349:A  16 ALA 3HB  :A  23 GLU 2HB  :   -0.492:        0
:  2349:A  23 GLU  HA  :A  28 ARG  HA  :   -0.432:        0

:  2349:A   8 ALA  C   :A   7 PRO  O   :   -0.473:        0

:  2349:A  35 PHE 2HB  :A  41 VAL  HA  :   -0.464:        0

:  2349:A  24 VAL 2HG2 :A  14 VAL 2HG2 :   -0.454:        0

:  2349:A  91 VAL 1HG1 :A 133 LEU 3HD1 :   -0.447:        0

:  2349:A  36 ALA 2HB  :A 141 VAL 2HG2 :   -0.442:        0
:  2349:A  37 PRO 1HD  :A  36 ALA 1HB  :   -0.413:        0

:  2349:A 123 THR  HA  :A  95 GLY 2HA  :   -0.412:        0

:  2349:A 109 ARG  N   :A 110 PRO  CD  :   -0.412:        0
#sum2 ::4.26 clashscore : 4.26 clashscore B<40 
#summary::2349 atoms:2349 atoms B<40:263727 potential dots:16480.0 A^2:10 bumps:10 bumps B<40:845.3 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2349:A  46 VAL 2HG2 :A  56 LEU 3HD1 :   -0.504:        0
:  2349:A  53 THR  H   :A  56 LEU 1HB  :   -0.467:        0

:  2349:A   3 LEU 2HD1 :A   3 LEU  C   :   -0.486:        0

:  2349:A  97 GLY 2HA  :A 145 LEU 1HB  :   -0.459:        0

:  2349:A 144 LEU 1HB  :A  22 ILE 3HD1 :   -0.459:        0

:  2349:A  13 THR  HA  :A 134 MET 1HE  :   -0.455:        0

:  2349:A  67 VAL  HB  :A  66 VAL  O   :   -0.446:        0

:  2349:A  45 PRO 2HD  :A  44 TRP  HA  :   -0.445:        0

:  2349:A 116 VAL  HB  :A 111 LEU 2HB  :   -0.437:        0

:  2349:A  35 PHE 2HB  :A  41 VAL  HA  :   -0.436:        0
#sum2 ::4.26 clashscore : 4.26 clashscore B<40 
#summary::2349 atoms:2349 atoms B<40:263520 potential dots:16470.0 A^2:10 bumps:10 bumps B<40:819.4 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2349:A  37 PRO  HA  :A  12 ASN 2HB  :   -0.500:        0

:  2349:A 116 VAL  HB  :A 111 LEU 2HB  :   -0.489:        0

:  2349:A 110 PRO 2HD  :A 109 ARG 2HB  :   -0.464:        0

:  2349:A  75 ASP  O   :A  76 GLU 1HB  :   -0.463:        0

:  2349:A  52 ILE  HB  :A 101 HIS  CD2 :   -0.448:        0
:  2349:A  52 ILE  HA  :A  56 LEU 2HD1 :   -0.419:        0
:  2349:A  52 ILE 1HD1 :A 145 LEU 1HD1 :   -0.417:        0

:  2349:A  89 PRO  HA  :A 139 ARG  HE  :   -0.419:        0
:  2349:A  89 PRO 2HB  :A 141 VAL 3HG2 :   -0.414:        0

:  2349:A  34 ALA  HA  :A 143 ALA  HA  :   -0.417:        0

:  2349:A  92 LEU 3HD1 :A  61 ALA  HA  :   -0.402:        0
#sum2 ::4.68 clashscore : 4.68 clashscore B<40 
#summary::2349 atoms:2349 atoms B<40:263767 potential dots:16490.0 A^2:11 bumps:11 bumps B<40:879.3 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2349:A  46 VAL 3HG1 :A  51 ASP 1HB  :   -0.545:        0

:  2349:A  35 PHE 2HB  :A  41 VAL  HA  :   -0.518:        0

:  2349:A 140 VAL 1HG1 :A 133 LEU 1HB  :   -0.459:        0

:  2349:A  63 LEU 2HB  :A  68 ARG 2HB  :   -0.450:        0

:  2349:A 110 PRO 2HD  :A 109 ARG 2HB  :   -0.431:        0

:  2349:A 144 LEU 3HD1 :A  22 ILE 1HG2 :   -0.425:        0

:  2349:A  92 LEU 3HD2 :A  92 LEU  C   :   -0.422:        0

:  2349:A   8 ALA  HA  :A  38 GLU 2HB  :   -0.414:        0

:  2349:A  94 VAL  HA  :A 143 ALA 3HB  :   -0.407:        0
#sum2 ::3.83 clashscore : 3.83 clashscore B<40 
#summary::2349 atoms:2349 atoms B<40:263770 potential dots:16490.0 A^2:9 bumps:9 bumps B<40:911.8 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2349:A  35 PHE 2HB  :A  41 VAL  HA  :   -0.499:        0

:  2349:A 144 LEU 1HB  :A  22 ILE 3HD1 :   -0.487:        0
:  2349:A 144 LEU  CB  :A  22 ILE 3HD1 :   -0.444:        0
:  2349:A 146 PRO 2HB  :A  22 ILE 2HG1 :   -0.419:        0

:  2349:A  89 PRO 2HB  :A 141 VAL 3HG2 :   -0.474:        0

:  2349:A  46 VAL 3HG1 :A  51 ASP 1HB  :   -0.459:        0

:  2349:A   9 THR 2HG2 :A  11 LEU  H   :   -0.443:        0

:  2349:A  25 ASN 2HB  :A   7 PRO  CB  :   -0.439:        0

:  2349:A 110 PRO 2HD  :A 109 ARG 2HB  :   -0.436:        0

:  2349:A  36 ALA  O   :A  12 ASN  ND2 :   -0.408:        0
#sum2 ::4.26 clashscore : 4.26 clashscore B<40 
#summary::2349 atoms:2349 atoms B<40:263973 potential dots:16500.0 A^2:10 bumps:10 bumps B<40:837.1 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2349:A 158 HIS  CG  :A 158 HIS  O   :   -0.560:        0
:  2349:A 158 HIS  O   :A 158 HIS  CD2 :   -0.451:        0

:  2349:A  37 PRO  HA  :A  12 ASN 1HB  :   -0.552:        0

:  2349:A  69 ASP 2HB  :A  70 PRO 2HD  :   -0.539:        0
:  2349:A  69 ASP  H   :A  70 PRO 1HD  :   -0.528:        0
:  2349:A  70 PRO  CD  :A  69 ASP  H   :   -0.464:        0

:  2349:A 116 VAL  HB  :A 111 LEU 2HB  :   -0.497:        0

:  2349:A  35 PHE 2HB  :A  41 VAL  HA  :   -0.478:        0

:  2349:A  16 ALA 3HB  :A  23 GLU 2HB  :   -0.467:        0

:  2349:A  46 VAL 3HG1 :A  51 ASP 1HB  :   -0.465:        0

:  2349:A  91 VAL 1HG1 :A 133 LEU 3HD1 :   -0.457:        0

:  2349:A   3 LEU  H   :A   6 ASP 2HB  :   -0.430:        0

:  2349:A  97 GLY 1HA  :A 123 THR  H   :   -0.430:        0

:  2349:A 145 LEU 2HD1 :A  96 THR  HA  :   -0.422:        0

:  2349:A  30 SER 1HB  :A 150 SER 2HB  :   -0.409:        0

:  2349:A 156 HIS 1HB  :A  31 HIS 2HB  :   -0.408:        0
#sum2 ::6.81 clashscore : 6.81 clashscore B<40 
#summary::2349 atoms:2349 atoms B<40:263899 potential dots:16490.0 A^2:16 bumps:16 bumps B<40:859.5 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2349:A  35 PHE 2HB  :A  41 VAL  HA  :   -0.511:        0

:  2349:A  37 PRO  HA  :A  12 ASN 1HB  :   -0.501:        0

:  2349:A 106 GLU  HA  :A 109 ARG 1HB  :   -0.475:        0

:  2349:A 107 GLN  HA  :A  54 ALA 2HB  :   -0.468:        0

:  2349:A  87 ASN 1HB  :A  84 ARG 1HB  :   -0.443:        0

:  2349:A   5 THR  HB  :A   2 LYS 2HD  :   -0.442:        0

:  2349:A  52 ILE  HB  :A 101 HIS  CD2 :   -0.426:        0

:  2349:A 103 LEU 2HD2 :A  57 LEU 1HD1 :   -0.415:        0

:  2349:A  16 ALA 3HB  :A  23 GLU 2HB  :   -0.414:        0

:  2349:A  99 ARG 1HG  :A  98 ARG 1HG  :   -0.413:        0
#sum2 ::4.26 clashscore : 4.26 clashscore B<40 
#summary::2349 atoms:2349 atoms B<40:263807 potential dots:16490.0 A^2:10 bumps:10 bumps B<40:806.6 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2349:A  46 VAL 3HG1 :A  51 ASP 1HB  :   -0.566:        0

:  2349:A  16 ALA 3HB  :A  23 GLU 2HB  :   -0.471:        0

:  2349:A 116 VAL  HB  :A 111 LEU 2HB  :   -0.467:        0

:  2349:A 145 LEU 2HD1 :A 146 PRO 1HD  :   -0.423:        0

:  2349:A 123 THR 3HG2 :A 144 LEU 2HD2 :   -0.422:        0

:  2349:A 140 VAL  O   :A  37 PRO 2HD  :   -0.422:        0

:  2349:A 133 LEU 3HD1 :A  91 VAL 1HG1 :   -0.404:        0

:  2349:A 109 ARG  N   :A 110 PRO  CD  :   -0.404:        0
#sum2 ::3.41 clashscore : 3.41 clashscore B<40 
#summary::2349 atoms:2349 atoms B<40:264002 potential dots:16500.0 A^2:8 bumps:8 bumps B<40:861.8 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2349:A  37 PRO  HA  :A  12 ASN 1HB  :   -0.678:        0
:  2349:A  37 PRO 1HD  :A  36 ALA 1HB  :   -0.453:        0

:  2349:A  69 ASP 1HB  :A  40 PRO 2HB  :   -0.516:        0
:  2349:A  69 ASP 2HB  :A  72 ALA 3HB  :   -0.429:        0
:  2349:A  40 PRO 1HB  :A  67 VAL  HB  :   -0.401:        0

:  2349:A  23 GLU 1HB  :A  16 ALA 3HB  :   -0.471:        0

:  2349:A 110 PRO 2HD  :A 109 ARG 2HB  :   -0.440:        0

:  2349:A  63 LEU 2HD1 :A  58 GLN 1HG  :   -0.419:        0

:  2349:A  24 VAL 2HG2 :A  14 VAL 2HG2 :   -0.414:        0

:  2349:A  46 VAL 3HG1 :A  51 ASP 1HB  :   -0.407:        0

:  2349:A 116 VAL  HB  :A 111 LEU 2HB  :   -0.402:        0
#sum2 ::4.68 clashscore : 4.68 clashscore B<40 
#summary::2349 atoms:2349 atoms B<40:264053 potential dots:16500.0 A^2:11 bumps:11 bumps B<40:826.1 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2349:A  37 PRO 1HD  :A  36 ALA 1HB  :   -0.553:        0

:  2349:A   3 LEU  HA  :A  69 ASP 2HB  :   -0.530:        0
:  2349:A  70 PRO  CD  :A  69 ASP  N   :   -0.506:        0

:  2349:A  89 PRO  HA  :A 139 ARG  CD  :   -0.516:        0

:  2349:A  80 GLY  H   :A  78 GLU 1HG  :   -0.497:        0

:  2349:A  25 ASN 1HB  :A  24 VAL  O   :   -0.496:        0
:  2349:A  24 VAL 2HG2 :A  14 VAL 2HG2 :   -0.450:        0

:  2349:A 116 VAL  HB  :A 111 LEU 2HB  :   -0.431:        0

:  2349:A 145 LEU 2HD1 :A 146 PRO 1HD  :   -0.427:        0

:  2349:A 123 THR  HA  :A  95 GLY 2HA  :   -0.423:        0

:  2349:A  45 PRO 2HD  :A  44 TRP  HA  :   -0.417:        0

:  2349:A 109 ARG  N   :A 110 PRO 1HD  :   -0.412:        0

:  2349:A 140 VAL 3HG2 :A  91 VAL 3HG1 :   -0.405:        0
#sum2 ::5.53 clashscore : 5.53 clashscore B<40 
#summary::2349 atoms:2349 atoms B<40:263952 potential dots:16500.0 A^2:13 bumps:13 bumps B<40:835.7 score

Output from PDB validation software

Summary from PDB validation

                                                       May. 9, 21:01:19 2013

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


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

CLOSE CONTACTS

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

      none



DISTANCES AND ANGLES 

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

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



    *** Covalent Bond Lengths:


The RMS deviation for covalent bonds relative to the standard 
dictionary is   0.009 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
------------------------------------------------------------------------
   0.070     PRO        A     45        2   CD   -  N      1.543     1.473
   0.081     PRO        A     45        6   CD   -  N      1.554     1.473
   0.061     PRO        A    146        7   CD   -  N      1.534     1.473
   0.066     PRO        A     45       13   CD   -  N      1.539     1.473
   0.059     PRO        A     45       14   CD   -  N      1.532     1.473
   0.080     PRO        A     45       15   CD   -  N      1.553     1.473
   0.091     PRO        A     70       16   CD   -  N      1.564     1.473
   0.056     PRO        A     45       18   CD   -  N      1.529     1.473
   0.076     PRO        A     45       19   CD   -  N      1.549     1.473

    *** Covalent Angle Values:


The RMS deviation for covalent angles relative to the standard 
dictionary is    0.7 degrees.

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


 Deviation  Residue  Chain  Sequence  Model  AT1  -  AT2  -  AT3    Bond    Dictionary
             Name     ID     Number                                 Angle      Value
--------------------------------------------------------------------------------
    -4.4    HIS       A      156         1   N    -  CA   -  C      106.8     111.2
    -4.9    PRO       A       45         2   CA   -  N    -  CD     107.1     112.0
    -6.2    PRO       A       45         6   CA   -  N    -  CD     105.8     112.0
    -4.4    HIS       A      155        11   N    -  CA   -  C      106.8     111.2
    -5.8    HIS       A      157        11   N    -  CA   -  C      105.4     111.2
    -4.4    PRO       A       45        13   CA   -  N    -  CD     107.6     112.0
    -4.4    PRO       A       45        15   CA   -  N    -  CD     107.6     112.0
    -5.4    PRO       A       45        19   CA   -  N    -  CD     106.6     112.0


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


CHIRALITY

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


E/Z NOMENCLATURE

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

Model  Chain  Residue  Residue  Atom Name  Original
               Name    Number              Atom Name
-----  -----  -------  -------  --------   ---------
  1    A       ASN       12      1HD2
  1    A       ASN       12      2HD2
  1    A       ASN       25      1HD2
  1    A       ASN       25      2HD2
  1    A       GLN       26      1HE2
  1    A       GLN       26      2HE2
  1    A       GLN       47      1HE2
  1    A       GLN       47      2HE2
  1    A       GLN       58      1HE2
  1    A       GLN       58      2HE2
  1    A       GLN       59      1HE2
  1    A       GLN       59      2HE2
  1    A       ASN       87      1HD2
  1    A       ASN       87      2HD2
  1    A       GLN      100      1HE2
  1    A       GLN      100      2HE2
  1    A       GLN      107      1HE2
  1    A       GLN      107      2HE2
  1    A       GLN      124      1HE2
  1    A       GLN      124      2HE2
  1    A       ASN      131      1HD2
  1    A       ASN      131      2HD2
  2    A       ASN       12      1HD2
  2    A       ASN       12      2HD2
  2    A       ASN       25      1HD2
  2    A       ASN       25      2HD2
  2    A       GLN       26      1HE2
  2    A       GLN       26      2HE2
  2    A       GLN       47      1HE2
  2    A       GLN       47      2HE2
  2    A       GLN       58      1HE2
  2    A       GLN       58      2HE2
  2    A       GLN       59      1HE2
  2    A       GLN       59      2HE2
  2    A       ASN       87      1HD2
  2    A       ASN       87      2HD2
  2    A       GLN      100      1HE2
  2    A       GLN      100      2HE2
  2    A       GLN      107      1HE2
  2    A       GLN      107      2HE2
  2    A       GLN      124      1HE2
  2    A       GLN      124      2HE2
  2    A       ASN      131      1HD2
  2    A       ASN      131      2HD2
  3    A       ASN       12      1HD2
  3    A       ASN       12      2HD2
  3    A       ASN       25      1HD2
  3    A       ASN       25      2HD2
  3    A       GLN       26      1HE2
  3    A       GLN       26      2HE2
  3    A       GLN       47      1HE2
  3    A       GLN       47      2HE2
  3    A       GLN       58      1HE2
  3    A       GLN       58      2HE2
  3    A       GLN       59      1HE2
  3    A       GLN       59      2HE2
  3    A       ASN       87      1HD2
  3    A       ASN       87      2HD2
  3    A       GLN      100      1HE2
  3    A       GLN      100      2HE2
  3    A       GLN      107      1HE2
  3    A       GLN      107      2HE2
  3    A       GLN      124      1HE2
  3    A       GLN      124      2HE2
  3    A       ASN      131      1HD2
  3    A       ASN      131      2HD2
  4    A       ASN       12      1HD2
  4    A       ASN       12      2HD2
  4    A       ASN       25      1HD2
  4    A       ASN       25      2HD2
  4    A       GLN       26      1HE2
  4    A       GLN       26      2HE2
  4    A       GLN       47      1HE2
  4    A       GLN       47      2HE2
  4    A       GLN       58      1HE2
  4    A       GLN       58      2HE2
  4    A       GLN       59      1HE2
  4    A       GLN       59      2HE2
  4    A       ASN       87      1HD2
  4    A       ASN       87      2HD2
  4    A       GLN      100      1HE2
  4    A       GLN      100      2HE2
  4    A       GLN      107      1HE2
  4    A       GLN      107      2HE2
  4    A       GLN      124      1HE2
  4    A       GLN      124      2HE2
  4    A       ASN      131      1HD2
  4    A       ASN      131      2HD2
  5    A       ASN       12      1HD2
  5    A       ASN       12      2HD2
  5    A       ASN       25      1HD2
  5    A       ASN       25      2HD2
  5    A       GLN       26      1HE2
  5    A       GLN       26      2HE2
  5    A       GLN       47      1HE2
  5    A       GLN       47      2HE2
  5    A       GLN       58      1HE2
  5    A       GLN       58      2HE2
  5    A       GLN       59      1HE2
  5    A       GLN       59      2HE2
  5    A       ASN       87      1HD2
  5    A       ASN       87      2HD2
  5    A       GLN      100      1HE2
  5    A       GLN      100      2HE2
  5    A       GLN      107      1HE2
  5    A       GLN      107      2HE2
  5    A       GLN      124      1HE2
  5    A       GLN      124      2HE2
  5    A       ASN      131      1HD2
  5    A       ASN      131      2HD2
  6    A       ASN       12      1HD2
  6    A       ASN       12      2HD2
  6    A       ASN       25      1HD2
  6    A       ASN       25      2HD2
  6    A       GLN       26      1HE2
  6    A       GLN       26      2HE2
  6    A       GLN       47      1HE2
  6    A       GLN       47      2HE2
  6    A       GLN       58      1HE2
  6    A       GLN       58      2HE2
  6    A       GLN       59      1HE2
  6    A       GLN       59      2HE2
  6    A       ASN       87      1HD2
  6    A       ASN       87      2HD2
  6    A       GLN      100      1HE2
  6    A       GLN      100      2HE2
  6    A       GLN      107      1HE2
  6    A       GLN      107      2HE2
  6    A       GLN      124      1HE2
  6    A       GLN      124      2HE2
  6    A       ASN      131      1HD2
  6    A       ASN      131      2HD2
  7    A       ASN       12      1HD2
  7    A       ASN       12      2HD2
  7    A       ASN       25      1HD2
  7    A       ASN       25      2HD2
  7    A       GLN       26      1HE2
  7    A       GLN       26      2HE2
  7    A       GLN       47      1HE2
  7    A       GLN       47      2HE2
  7    A       GLN       58      1HE2
  7    A       GLN       58      2HE2
  7    A       GLN       59      1HE2
  7    A       GLN       59      2HE2
  7    A       ASN       87      1HD2
  7    A       ASN       87      2HD2
  7    A       GLN      100      1HE2
  7    A       GLN      100      2HE2
  7    A       GLN      107      1HE2
  7    A       GLN      107      2HE2
  7    A       GLN      124      1HE2
  7    A       GLN      124      2HE2
  7    A       ASN      131      1HD2
  7    A       ASN      131      2HD2
  8    A       ASN       12      1HD2
  8    A       ASN       12      2HD2
  8    A       ASN       25      1HD2
  8    A       ASN       25      2HD2
  8    A       GLN       26      1HE2
  8    A       GLN       26      2HE2
  8    A       GLN       47      1HE2
  8    A       GLN       47      2HE2
  8    A       GLN       58      1HE2
  8    A       GLN       58      2HE2
  8    A       GLN       59      1HE2
  8    A       GLN       59      2HE2
  8    A       ASN       87      1HD2
  8    A       ASN       87      2HD2
  8    A       GLN      100      1HE2
  8    A       GLN      100      2HE2
  8    A       GLN      107      1HE2
  8    A       GLN      107      2HE2
  8    A       GLN      124      1HE2
  8    A       GLN      124      2HE2
  8    A       ASN      131      1HD2
  8    A       ASN      131      2HD2
  9    A       ASN       12      1HD2
  9    A       ASN       12      2HD2
  9    A       ASN       25      1HD2
  9    A       ASN       25      2HD2
  9    A       GLN       26      1HE2
  9    A       GLN       26      2HE2
  9    A       GLN       47      1HE2
  9    A       GLN       47      2HE2
  9    A       GLN       58      1HE2
  9    A       GLN       58      2HE2
  9    A       GLN       59      1HE2
  9    A       GLN       59      2HE2
  9    A       ASN       87      1HD2
  9    A       ASN       87      2HD2
  9    A       GLN      100      1HE2
  9    A       GLN      100      2HE2
  9    A       GLN      107      1HE2
  9    A       GLN      107      2HE2
  9    A       GLN      124      1HE2
  9    A       GLN      124      2HE2
  9    A       ASN      131      1HD2
  9    A       ASN      131      2HD2
 10    A       ASN       12      1HD2
 10    A       ASN       12      2HD2
 10    A       ASN       25      1HD2
 10    A       ASN       25      2HD2
 10    A       GLN       26      1HE2
 10    A       GLN       26      2HE2
 10    A       GLN       47      1HE2
 10    A       GLN       47      2HE2
 10    A       GLN       58      1HE2
 10    A       GLN       58      2HE2
 10    A       GLN       59      1HE2
 10    A       GLN       59      2HE2
 10    A       ASN       87      1HD2
 10    A       ASN       87      2HD2
 10    A       GLN      100      1HE2
 10    A       GLN      100      2HE2
 10    A       GLN      107      1HE2
 10    A       GLN      107      2HE2
 10    A       GLN      124      1HE2
 10    A       GLN      124      2HE2
 10    A       ASN      131      1HD2
 10    A       ASN      131      2HD2
 11    A       ASN       12      1HD2
 11    A       ASN       12      2HD2
 11    A       ASN       25      1HD2
 11    A       ASN       25      2HD2
 11    A       GLN       26      1HE2
 11    A       GLN       26      2HE2
 11    A       GLN       47      1HE2
 11    A       GLN       47      2HE2
 11    A       GLN       58      1HE2
 11    A       GLN       58      2HE2
 11    A       GLN       59      1HE2
 11    A       GLN       59      2HE2
 11    A       ASN       87      1HD2
 11    A       ASN       87      2HD2
 11    A       GLN      100      1HE2
 11    A       GLN      100      2HE2
 11    A       GLN      107      1HE2
 11    A       GLN      107      2HE2
 11    A       GLN      124      1HE2
 11    A       GLN      124      2HE2
 11    A       ASN      131      1HD2
 11    A       ASN      131      2HD2
 12    A       ASN       12      1HD2
 12    A       ASN       12      2HD2
 12    A       ASN       25      1HD2
 12    A       ASN       25      2HD2
 12    A       GLN       26      1HE2
 12    A       GLN       26      2HE2
 12    A       GLN       47      1HE2
 12    A       GLN       47      2HE2
 12    A       GLN       58      1HE2
 12    A       GLN       58      2HE2
 12    A       GLN       59      1HE2
 12    A       GLN       59      2HE2
 12    A       ASN       87      1HD2
 12    A       ASN       87      2HD2
 12    A       GLN      100      1HE2
 12    A       GLN      100      2HE2
 12    A       GLN      107      1HE2
 12    A       GLN      107      2HE2
 12    A       GLN      124      1HE2
 12    A       GLN      124      2HE2
 12    A       ASN      131      1HD2
 12    A       ASN      131      2HD2
 13    A       ASN       12      1HD2
 13    A       ASN       12      2HD2
 13    A       ASN       25      1HD2
 13    A       ASN       25      2HD2
 13    A       GLN       26      1HE2
 13    A       GLN       26      2HE2
 13    A       GLN       47      1HE2
 13    A       GLN       47      2HE2
 13    A       GLN       58      1HE2
 13    A       GLN       58      2HE2
 13    A       GLN       59      1HE2
 13    A       GLN       59      2HE2
 13    A       ASN       87      1HD2
 13    A       ASN       87      2HD2
 13    A       GLN      100      1HE2
 13    A       GLN      100      2HE2
 13    A       GLN      107      1HE2
 13    A       GLN      107      2HE2
 13    A       GLN      124      1HE2
 13    A       GLN      124      2HE2
 13    A       ASN      131      1HD2
 13    A       ASN      131      2HD2
 14    A       ASN       12      1HD2
 14    A       ASN       12      2HD2
 14    A       ASN       25      1HD2
 14    A       ASN       25      2HD2
 14    A       GLN       26      1HE2
 14    A       GLN       26      2HE2
 14    A       GLN       47      1HE2
 14    A       GLN       47      2HE2
 14    A       GLN       58      1HE2
 14    A       GLN       58      2HE2
 14    A       GLN       59      1HE2
 14    A       GLN       59      2HE2
 14    A       ASN       87      1HD2
 14    A       ASN       87      2HD2
 14    A       GLN      100      1HE2
 14    A       GLN      100      2HE2
 14    A       GLN      107      1HE2
 14    A       GLN      107      2HE2
 14    A       GLN      124      1HE2
 14    A       GLN      124      2HE2
 14    A       ASN      131      1HD2
 14    A       ASN      131      2HD2
 15    A       ASN       12      1HD2
 15    A       ASN       12      2HD2
 15    A       ASN       25      1HD2
 15    A       ASN       25      2HD2
 15    A       GLN       26      1HE2
 15    A       GLN       26      2HE2
 15    A       GLN       47      1HE2
 15    A       GLN       47      2HE2
 15    A       GLN       58      1HE2
 15    A       GLN       58      2HE2
 15    A       GLN       59      1HE2
 15    A       GLN       59      2HE2
 15    A       ASN       87      1HD2
 15    A       ASN       87      2HD2
 15    A       GLN      100      1HE2
 15    A       GLN      100      2HE2
 15    A       GLN      107      1HE2
 15    A       GLN      107      2HE2
 15    A       GLN      124      1HE2
 15    A       GLN      124      2HE2
 15    A       ASN      131      1HD2
 15    A       ASN      131      2HD2
 16    A       ASN       12      1HD2
 16    A       ASN       12      2HD2
 16    A       ASN       25      1HD2
 16    A       ASN       25      2HD2
 16    A       GLN       26      1HE2
 16    A       GLN       26      2HE2
 16    A       GLN       47      1HE2
 16    A       GLN       47      2HE2
 16    A       GLN       58      1HE2
 16    A       GLN       58      2HE2
 16    A       GLN       59      1HE2
 16    A       GLN       59      2HE2
 16    A       ASN       87      1HD2
 16    A       ASN       87      2HD2
 16    A       GLN      100      1HE2
 16    A       GLN      100      2HE2
 16    A       GLN      107      1HE2
 16    A       GLN      107      2HE2
 16    A       GLN      124      1HE2
 16    A       GLN      124      2HE2
 16    A       ASN      131      1HD2
 16    A       ASN      131      2HD2
 17    A       ASN       12      1HD2
 17    A       ASN       12      2HD2
 17    A       ASN       25      1HD2
 17    A       ASN       25      2HD2
 17    A       GLN       26      1HE2
 17    A       GLN       26      2HE2
 17    A       GLN       47      1HE2
 17    A       GLN       47      2HE2
 17    A       GLN       58      1HE2
 17    A       GLN       58      2HE2
 17    A       GLN       59      1HE2
 17    A       GLN       59      2HE2
 17    A       ASN       87      1HD2
 17    A       ASN       87      2HD2
 17    A       GLN      100      1HE2
 17    A       GLN      100      2HE2
 17    A       GLN      107      1HE2
 17    A       GLN      107      2HE2
 17    A       GLN      124      1HE2
 17    A       GLN      124      2HE2
 17    A       ASN      131      1HD2
 17    A       ASN      131      2HD2
 18    A       ASN       12      1HD2
 18    A       ASN       12      2HD2
 18    A       ASN       25      1HD2
 18    A       ASN       25      2HD2
 18    A       GLN       26      1HE2
 18    A       GLN       26      2HE2
 18    A       GLN       47      1HE2
 18    A       GLN       47      2HE2
 18    A       GLN       58      1HE2
 18    A       GLN       58      2HE2
 18    A       GLN       59      1HE2
 18    A       GLN       59      2HE2
 18    A       ASN       87      1HD2
 18    A       ASN       87      2HD2
 18    A       GLN      100      1HE2
 18    A       GLN      100      2HE2
 18    A       GLN      107      1HE2
 18    A       GLN      107      2HE2
 18    A       GLN      124      1HE2
 18    A       GLN      124      2HE2
 18    A       ASN      131      1HD2
 18    A       ASN      131      2HD2
 19    A       ASN       12      1HD2
 19    A       ASN       12      2HD2
 19    A       ASN       25      1HD2
 19    A       ASN       25      2HD2
 19    A       GLN       26      1HE2
 19    A       GLN       26      2HE2
 19    A       GLN       47      1HE2
 19    A       GLN       47      2HE2
 19    A       GLN       58      1HE2
 19    A       GLN       58      2HE2
 19    A       GLN       59      1HE2
 19    A       GLN       59      2HE2
 19    A       ASN       87      1HD2
 19    A       ASN       87      2HD2
 19    A       GLN      100      1HE2
 19    A       GLN      100      2HE2
 19    A       GLN      107      1HE2
 19    A       GLN      107      2HE2
 19    A       GLN      124      1HE2
 19    A       GLN      124      2HE2
 19    A       ASN      131      1HD2
 19    A       ASN      131      2HD2
 20    A       ASN       12      1HD2
 20    A       ASN       12      2HD2
 20    A       ASN       25      1HD2
 20    A       ASN       25      2HD2
 20    A       GLN       26      1HE2
 20    A       GLN       26      2HE2
 20    A       GLN       47      1HE2
 20    A       GLN       47      2HE2
 20    A       GLN       58      1HE2
 20    A       GLN       58      2HE2
 20    A       GLN       59      1HE2
 20    A       GLN       59      2HE2
 20    A       ASN       87      1HD2
 20    A       ASN       87      2HD2
 20    A       GLN      100      1HE2
 20    A       GLN      100      2HE2
 20    A       GLN      107      1HE2
 20    A       GLN      107      2HE2
 20    A       GLN      124      1HE2
 20    A       GLN      124      2HE2
 20    A       ASN      131      1HD2
 20    A       ASN      131      2HD2

OTHER IMPORTANT ISSUES



==> The following residues have missing atoms:                        

     RES MOD#C SEQ          ATOMS

     HIS(  1 A   4)         HD1 
     ASP(  1 A   6)         HD2 
     ASP(  1 A  19)         HD2 
     GLU(  1 A  23)         HE2 
     HIS(  1 A  31)         HD1 
     GLU(  1 A  38)         HE2 
     ASP(  1 A  51)         HD2 
     GLU(  1 A  65)         HE2 
     ASP(  1 A  69)         HD2 
     ASP(  1 A  75)         HD2 
     GLU(  1 A  76)         HE2 
     GLU(  1 A  78)         HE2 
     GLU(  1 A  90)         HE2 
     HIS(  1 A 101)         HD1 
     GLU(  1 A 106)         HE2 
     GLU(  1 A 119)         HE2 
     ASP(  1 A 122)         HD2 
     GLU(  1 A 136)         HE2 
     ASP(  1 A 147)         HD2 
     ASP(  1 A 149)         HD2 
     GLU(  1 A 152)         HE2 
     HIS(  1 A 153)         HD1 
     HIS(  1 A 154)         HD1 
     HIS(  1 A 155)         HE2 
     HIS(  1 A 156)         HD1 
     HIS(  1 A 157)         HD1 
     HIS(  1 A 158)         HD1 
     HIS(  2 A   4)         HD1 
     ASP(  2 A   6)         HD2 
     ASP(  2 A  19)         HD2 
     GLU(  2 A  23)         HE2 
     HIS(  2 A  31)         HD1 
     GLU(  2 A  38)         HE2 
     ASP(  2 A  51)         HD2 
     GLU(  2 A  65)         HE2 
     ASP(  2 A  69)         HD2 
     ASP(  2 A  75)         HD2 
     GLU(  2 A  76)         HE2 
     GLU(  2 A  78)         HE2 
     GLU(  2 A  90)         HE2 
     HIS(  2 A 101)         HD1 
     GLU(  2 A 106)         HE2 
     GLU(  2 A 119)         HE2 
     ASP(  2 A 122)         HD2 
     GLU(  2 A 136)         HE2 
     ASP(  2 A 147)         HD2 
     ASP(  2 A 149)         HD2 
     GLU(  2 A 152)         HE2 
     HIS(  2 A 153)         HD1 
     HIS(  2 A 154)         HE2 
     HIS(  2 A 155)         HD1 
     HIS(  2 A 156)         HD1 
     HIS(  2 A 157)         HD1 
     HIS(  2 A 158)         HD1 
     HIS(  3 A   4)         HD1 
     ASP(  3 A   6)         HD2 
     ASP(  3 A  19)         HD2 
     GLU(  3 A  23)         HE2 
     HIS(  3 A  31)         HD1 
     GLU(  3 A  38)         HE2 
     ASP(  3 A  51)         HD2 
     GLU(  3 A  65)         HE2 
     ASP(  3 A  69)         HD2 
     ASP(  3 A  75)         HD2 
     GLU(  3 A  76)         HE2 
     GLU(  3 A  78)         HE2 
     GLU(  3 A  90)         HE2 
     HIS(  3 A 101)         HD1 
     GLU(  3 A 106)         HE2 
     GLU(  3 A 119)         HE2 
     ASP(  3 A 122)         HD2 
     GLU(  3 A 136)         HE2 
     ASP(  3 A 147)         HD2 
     ASP(  3 A 149)         HD2 
     GLU(  3 A 152)         HE2 
     HIS(  3 A 153)         HD1 
     HIS(  3 A 154)         HE2 
     HIS(  3 A 155)         HE2 
     HIS(  3 A 156)         HE2 
     HIS(  3 A 157)         HD1 
     HIS(  3 A 158)         HE2 
     HIS(  4 A   4)         HD1 
     ASP(  4 A   6)         HD2 
     ASP(  4 A  19)         HD2 
     GLU(  4 A  23)         HE2 
     HIS(  4 A  31)         HD1 
     GLU(  4 A  38)         HE2 
     ASP(  4 A  51)         HD2 
     GLU(  4 A  65)         HE2 
     ASP(  4 A  69)         HD2 
     ASP(  4 A  75)         HD2 
     GLU(  4 A  76)         HE2 
     GLU(  4 A  78)         HE2 
     GLU(  4 A  90)         HE2 
     HIS(  4 A 101)         HD1 
     GLU(  4 A 106)         HE2 
     GLU(  4 A 119)         HE2 
     ASP(  4 A 122)         HD2 
     GLU(  4 A 136)         HE2 
     ASP(  4 A 147)         HD2 
     ASP(  4 A 149)         HD2 
     GLU(  4 A 152)         HE2 
     HIS(  4 A 153)         HD1 
     HIS(  4 A 154)         HD1 
     HIS(  4 A 155)         HD1 
     HIS(  4 A 156)         HE2 
     HIS(  4 A 157)         HE2 
     HIS(  4 A 158)         HD1 
     HIS(  5 A   4)         HD1 
     ASP(  5 A   6)         HD2 
     ASP(  5 A  19)         HD2 
     GLU(  5 A  23)         HE2 
     HIS(  5 A  31)         HD1 
     GLU(  5 A  38)         HE2 
     ASP(  5 A  51)         HD2 
     GLU(  5 A  65)         HE2 
     ASP(  5 A  69)         HD2 
     ASP(  5 A  75)         HD2 
     GLU(  5 A  76)         HE2 
     GLU(  5 A  78)         HE2 
     GLU(  5 A  90)         HE2 
     HIS(  5 A 101)         HD1 
     GLU(  5 A 106)         HE2 
     GLU(  5 A 119)         HE2 
     ASP(  5 A 122)         HD2 
     GLU(  5 A 136)         HE2 
     ASP(  5 A 147)         HD2 
     ASP(  5 A 149)         HD2 
     GLU(  5 A 152)         HE2 
     HIS(  5 A 153)         HE2 
     HIS(  5 A 154)         HE2 
     HIS(  5 A 155)         HD1 
     HIS(  5 A 156)         HD1 
     HIS(  5 A 157)         HD1 
     HIS(  5 A 158)         HD1 
     HIS(  6 A   4)         HD1 
     ASP(  6 A   6)         HD2 
     ASP(  6 A  19)         HD2 
     GLU(  6 A  23)         HE2 
     HIS(  6 A  31)         HD1 
     GLU(  6 A  38)         HE2 
     ASP(  6 A  51)         HD2 
     GLU(  6 A  65)         HE2 
     ASP(  6 A  69)         HD2 
     ASP(  6 A  75)         HD2 
     GLU(  6 A  76)         HE2 
     GLU(  6 A  78)         HE2 
     GLU(  6 A  90)         HE2 
     HIS(  6 A 101)         HD1 
     GLU(  6 A 106)         HE2 
     GLU(  6 A 119)         HE2 
     ASP(  6 A 122)         HD2 
     GLU(  6 A 136)         HE2 
     ASP(  6 A 147)         HD2 
     ASP(  6 A 149)         HD2 
     GLU(  6 A 152)         HE2 
     HIS(  6 A 153)         HD1 
     HIS(  6 A 154)         HD1 
     HIS(  6 A 155)         HE2 
     HIS(  6 A 156)         HE2 
     HIS(  6 A 157)         HD1 
     HIS(  6 A 158)         HE2 
     HIS(  7 A   4)         HD1 
     ASP(  7 A   6)         HD2 
     ASP(  7 A  19)         HD2 
     GLU(  7 A  23)         HE2 
     HIS(  7 A  31)         HD1 
     GLU(  7 A  38)         HE2 
     ASP(  7 A  51)         HD2 
     GLU(  7 A  65)         HE2 
     ASP(  7 A  69)         HD2 
     ASP(  7 A  75)         HD2 
     GLU(  7 A  76)         HE2 
     GLU(  7 A  78)         HE2 
     GLU(  7 A  90)         HE2 
     HIS(  7 A 101)         HD1 
     GLU(  7 A 106)         HE2 
     GLU(  7 A 119)         HE2 
     ASP(  7 A 122)         HD2 
     GLU(  7 A 136)         HE2 
     ASP(  7 A 147)         HD2 
     ASP(  7 A 149)         HD2 
     GLU(  7 A 152)         HE2 
     HIS(  7 A 153)         HE2 
     HIS(  7 A 154)         HE2 
     HIS(  7 A 155)         HD1 
     HIS(  7 A 156)         HD1 
     HIS(  7 A 157)         HE2 
     HIS(  7 A 158)         HE2 
     HIS(  8 A   4)         HD1 
     ASP(  8 A   6)         HD2 
     ASP(  8 A  19)         HD2 
     GLU(  8 A  23)         HE2 
     HIS(  8 A  31)         HD1 
     GLU(  8 A  38)         HE2 
     ASP(  8 A  51)         HD2 
     GLU(  8 A  65)         HE2 
     ASP(  8 A  69)         HD2 
     ASP(  8 A  75)         HD2 
     GLU(  8 A  76)         HE2 
     GLU(  8 A  78)         HE2 
     GLU(  8 A  90)         HE2 
     HIS(  8 A 101)         HD1 
     GLU(  8 A 106)         HE2 
     GLU(  8 A 119)         HE2 
     ASP(  8 A 122)         HD2 
     GLU(  8 A 136)         HE2 
     ASP(  8 A 147)         HD2 
     ASP(  8 A 149)         HD2 
     GLU(  8 A 152)         HE2 
     HIS(  8 A 153)         HD1 
     HIS(  8 A 154)         HD1 
     HIS(  8 A 155)         HE2 
     HIS(  8 A 156)         HD1 
     HIS(  8 A 157)         HE2 
     HIS(  8 A 158)         HD1 
     HIS(  9 A   4)         HD1 
     ASP(  9 A   6)         HD2 
     ASP(  9 A  19)         HD2 
     GLU(  9 A  23)         HE2 
     HIS(  9 A  31)         HD1 
     GLU(  9 A  38)         HE2 
     ASP(  9 A  51)         HD2 
     GLU(  9 A  65)         HE2 
     ASP(  9 A  69)         HD2 
     ASP(  9 A  75)         HD2 
     GLU(  9 A  76)         HE2 
     GLU(  9 A  78)         HE2 
     GLU(  9 A  90)         HE2 
     HIS(  9 A 101)         HD1 
     GLU(  9 A 106)         HE2 
     GLU(  9 A 119)         HE2 
     ASP(  9 A 122)         HD2 
     GLU(  9 A 136)         HE2 
     ASP(  9 A 147)         HD2 
     ASP(  9 A 149)         HD2 
     GLU(  9 A 152)         HE2 
     HIS(  9 A 153)         HE2 
     HIS(  9 A 154)         HE2 
     HIS(  9 A 155)         HD1 
     HIS(  9 A 156)         HE2 
     HIS(  9 A 157)         HD1 
     HIS(  9 A 158)         HD1 
     HIS( 10 A   4)         HD1 
     ASP( 10 A   6)         HD2 
     ASP( 10 A  19)         HD2 
     GLU( 10 A  23)         HE2 
     HIS( 10 A  31)         HD1 
     GLU( 10 A  38)         HE2 
     ASP( 10 A  51)         HD2 
     GLU( 10 A  65)         HE2 
     ASP( 10 A  69)         HD2 
     ASP( 10 A  75)         HD2 
     GLU( 10 A  76)         HE2 
     GLU( 10 A  78)         HE2 
     GLU( 10 A  90)         HE2 
     HIS( 10 A 101)         HD1 
     GLU( 10 A 106)         HE2 
     GLU( 10 A 119)         HE2 
     ASP( 10 A 122)         HD2 
     GLU( 10 A 136)         HE2 
     ASP( 10 A 147)         HD2 
     ASP( 10 A 149)         HD2 
     GLU( 10 A 152)         HE2 
     HIS( 10 A 153)         HE2 
     HIS( 10 A 154)         HE2 
     HIS( 10 A 155)         HD1 
     HIS( 10 A 156)         HD1 
     HIS( 10 A 157)         HE2 
     HIS( 10 A 158)         HE2 
     HIS( 11 A   4)         HD1 
     ASP( 11 A   6)         HD2 
     ASP( 11 A  19)         HD2 
     GLU( 11 A  23)         HE2 
     HIS( 11 A  31)         HD1 
     GLU( 11 A  38)         HE2 
     ASP( 11 A  51)         HD2 
     GLU( 11 A  65)         HE2 
     ASP( 11 A  69)         HD2 
     ASP( 11 A  75)         HD2 
     GLU( 11 A  76)         HE2 
     GLU( 11 A  78)         HE2 
     GLU( 11 A  90)         HE2 
     HIS( 11 A 101)         HD1 
     GLU( 11 A 106)         HE2 
     GLU( 11 A 119)         HE2 
     ASP( 11 A 122)         HD2 
     GLU( 11 A 136)         HE2 
     ASP( 11 A 147)         HD2 
     ASP( 11 A 149)         HD2 
     GLU( 11 A 152)         HE2 
     HIS( 11 A 153)         HE2 
     HIS( 11 A 154)         HD1 
     HIS( 11 A 155)         HD1 
     HIS( 11 A 156)         HE2 
     HIS( 11 A 157)         HE2 
     HIS( 11 A 158)         HD1 
     HIS( 12 A   4)         HD1 
     ASP( 12 A   6)         HD2 
     ASP( 12 A  19)         HD2 
     GLU( 12 A  23)         HE2 
     HIS( 12 A  31)         HD1 
     GLU( 12 A  38)         HE2 
     ASP( 12 A  51)         HD2 
     GLU( 12 A  65)         HE2 
     ASP( 12 A  69)         HD2 
     ASP( 12 A  75)         HD2 
     GLU( 12 A  76)         HE2 
     GLU( 12 A  78)         HE2 
     GLU( 12 A  90)         HE2 
     HIS( 12 A 101)         HD1 
     GLU( 12 A 106)         HE2 
     GLU( 12 A 119)         HE2 
     ASP( 12 A 122)         HD2 
     GLU( 12 A 136)         HE2 
     ASP( 12 A 147)         HD2 
     ASP( 12 A 149)         HD2 
     GLU( 12 A 152)         HE2 
     HIS( 12 A 153)         HD1 
     HIS( 12 A 154)         HE2 
     HIS( 12 A 155)         HE2 
     HIS( 12 A 156)         HD1 
     HIS( 12 A 157)         HD1 
     HIS( 12 A 158)         HD1 
     HIS( 13 A   4)         HD1 
     ASP( 13 A   6)         HD2 
     ASP( 13 A  19)         HD2 
     GLU( 13 A  23)         HE2 
     HIS( 13 A  31)         HD1 
     GLU( 13 A  38)         HE2 
     ASP( 13 A  51)         HD2 
     GLU( 13 A  65)         HE2 
     ASP( 13 A  69)         HD2 
     ASP( 13 A  75)         HD2 
     GLU( 13 A  76)         HE2 
     GLU( 13 A  78)         HE2 
     GLU( 13 A  90)         HE2 
     HIS( 13 A 101)         HD1 
     GLU( 13 A 106)         HE2 
     GLU( 13 A 119)         HE2 
     ASP( 13 A 122)         HD2 
     GLU( 13 A 136)         HE2 
     ASP( 13 A 147)         HD2 
     ASP( 13 A 149)         HD2 
     GLU( 13 A 152)         HE2 
     HIS( 13 A 153)         HD1 
     HIS( 13 A 154)         HD1 
     HIS( 13 A 155)         HD1 
     HIS( 13 A 156)         HD1 
     HIS( 13 A 157)         HD1 
     HIS( 13 A 158)         HD1 
     HIS( 14 A   4)         HD1 
     ASP( 14 A   6)         HD2 
     ASP( 14 A  19)         HD2 
     GLU( 14 A  23)         HE2 
     HIS( 14 A  31)         HD1 
     GLU( 14 A  38)         HE2 
     ASP( 14 A  51)         HD2 
     GLU( 14 A  65)         HE2 
     ASP( 14 A  69)         HD2 
     ASP( 14 A  75)         HD2 
     GLU( 14 A  76)         HE2 
     GLU( 14 A  78)         HE2 
     GLU( 14 A  90)         HE2 
     HIS( 14 A 101)         HD1 
     GLU( 14 A 106)         HE2 
     GLU( 14 A 119)         HE2 
     ASP( 14 A 122)         HD2 
     GLU( 14 A 136)         HE2 
     ASP( 14 A 147)         HD2 
     ASP( 14 A 149)         HD2 
     GLU( 14 A 152)         HE2 
     HIS( 14 A 153)         HD1 
     HIS( 14 A 154)         HE2 
     HIS( 14 A 155)         HE2 
     HIS( 14 A 156)         HE2 
     HIS( 14 A 157)         HE2 
     HIS( 14 A 158)         HE2 
     HIS( 15 A   4)         HD1 
     ASP( 15 A   6)         HD2 
     ASP( 15 A  19)         HD2 
     GLU( 15 A  23)         HE2 
     HIS( 15 A  31)         HD1 
     GLU( 15 A  38)         HE2 
     ASP( 15 A  51)         HD2 
     GLU( 15 A  65)         HE2 
     ASP( 15 A  69)         HD2 
     ASP( 15 A  75)         HD2 
     GLU( 15 A  76)         HE2 
     GLU( 15 A  78)         HE2 
     GLU( 15 A  90)         HE2 
     HIS( 15 A 101)         HD1 
     GLU( 15 A 106)         HE2 
     GLU( 15 A 119)         HE2 
     ASP( 15 A 122)         HD2 
     GLU( 15 A 136)         HE2 
     ASP( 15 A 147)         HD2 
     ASP( 15 A 149)         HD2 
     GLU( 15 A 152)         HE2 
     HIS( 15 A 153)         HE2 
     HIS( 15 A 154)         HE2 
     HIS( 15 A 155)         HD1 
     HIS( 15 A 156)         HE2 
     HIS( 15 A 157)         HE2 
     HIS( 15 A 158)         HE2 
     HIS( 16 A   4)         HD1 
     ASP( 16 A   6)         HD2 
     ASP( 16 A  19)         HD2 
     GLU( 16 A  23)         HE2 
     HIS( 16 A  31)         HD1 
     GLU( 16 A  38)         HE2 
     ASP( 16 A  51)         HD2 
     GLU( 16 A  65)         HE2 
     ASP( 16 A  69)         HD2 
     ASP( 16 A  75)         HD2 
     GLU( 16 A  76)         HE2 
     GLU( 16 A  78)         HE2 
     GLU( 16 A  90)         HE2 
     HIS( 16 A 101)         HD1 
     GLU( 16 A 106)         HE2 
     GLU( 16 A 119)         HE2 
     ASP( 16 A 122)         HD2 
     GLU( 16 A 136)         HE2 
     ASP( 16 A 147)         HD2 
     ASP( 16 A 149)         HD2 
     GLU( 16 A 152)         HE2 
     HIS( 16 A 153)         HE2 
     HIS( 16 A 154)         HE2 
     HIS( 16 A 155)         HE2 
     HIS( 16 A 156)         HE2 
     HIS( 16 A 157)         HD1 
     HIS( 16 A 158)         HD1 
     HIS( 17 A   4)         HD1 
     ASP( 17 A   6)         HD2 
     ASP( 17 A  19)         HD2 
     GLU( 17 A  23)         HE2 
     HIS( 17 A  31)         HD1 
     GLU( 17 A  38)         HE2 
     ASP( 17 A  51)         HD2 
     GLU( 17 A  65)         HE2 
     ASP( 17 A  69)         HD2 
     ASP( 17 A  75)         HD2 
     GLU( 17 A  76)         HE2 
     GLU( 17 A  78)         HE2 
     GLU( 17 A  90)         HE2 
     HIS( 17 A 101)         HD1 
     GLU( 17 A 106)         HE2 
     GLU( 17 A 119)         HE2 
     ASP( 17 A 122)         HD2 
     GLU( 17 A 136)         HE2 
     ASP( 17 A 147)         HD2 
     ASP( 17 A 149)         HD2 
     GLU( 17 A 152)         HE2 
     HIS( 17 A 153)         HE2 
     HIS( 17 A 154)         HD1 
     HIS( 17 A 155)         HE2 
     HIS( 17 A 156)         HD1 
     HIS( 17 A 157)         HD1 
     HIS( 17 A 158)         HD1 
     HIS( 18 A   4)         HD1 
     ASP( 18 A   6)         HD2 
     ASP( 18 A  19)         HD2 
     GLU( 18 A  23)         HE2 
     HIS( 18 A  31)         HD1 
     GLU( 18 A  38)         HE2 
     ASP( 18 A  51)         HD2 
     GLU( 18 A  65)         HE2 
     ASP( 18 A  69)         HD2 
     ASP( 18 A  75)         HD2 
     GLU( 18 A  76)         HE2 
     GLU( 18 A  78)         HE2 
     GLU( 18 A  90)         HE2 
     HIS( 18 A 101)         HD1 
     GLU( 18 A 106)         HE2 
     GLU( 18 A 119)         HE2 
     ASP( 18 A 122)         HD2 
     GLU( 18 A 136)         HE2 
     ASP( 18 A 147)         HD2 
     ASP( 18 A 149)         HD2 
     GLU( 18 A 152)         HE2 
     HIS( 18 A 153)         HD1 
     HIS( 18 A 154)         HD1 
     HIS( 18 A 155)         HD1 
     HIS( 18 A 156)         HD1 
     HIS( 18 A 157)         HD1 
     HIS( 18 A 158)         HD1 
     HIS( 19 A   4)         HD1 
     ASP( 19 A   6)         HD2 
     ASP( 19 A  19)         HD2 
     GLU( 19 A  23)         HE2 
     HIS( 19 A  31)         HD1 
     GLU( 19 A  38)         HE2 
     ASP( 19 A  51)         HD2 
     GLU( 19 A  65)         HE2 
     ASP( 19 A  69)         HD2 
     ASP( 19 A  75)         HD2 
     GLU( 19 A  76)         HE2 
     GLU( 19 A  78)         HE2 
     GLU( 19 A  90)         HE2 
     HIS( 19 A 101)         HD1 
     GLU( 19 A 106)         HE2 
     GLU( 19 A 119)         HE2 
     ASP( 19 A 122)         HD2 
     GLU( 19 A 136)         HE2 
     ASP( 19 A 147)         HD2 
     ASP( 19 A 149)         HD2 
     GLU( 19 A 152)         HE2 
     HIS( 19 A 153)         HD1 
     HIS( 19 A 154)         HE2 
     HIS( 19 A 155)         HD1 
     HIS( 19 A 156)         HD1 
     HIS( 19 A 157)         HE2 
     HIS( 19 A 158)         HD1 
     HIS( 20 A   4)         HD1 
     ASP( 20 A   6)         HD2 
     ASP( 20 A  19)         HD2 
     GLU( 20 A  23)         HE2 
     HIS( 20 A  31)         HD1 
     GLU( 20 A  38)         HE2 
     ASP( 20 A  51)         HD2 
     GLU( 20 A  65)         HE2 
     ASP( 20 A  69)         HD2 
     ASP( 20 A  75)         HD2 
     GLU( 20 A  76)         HE2 
     GLU( 20 A  78)         HE2 
     GLU( 20 A  90)         HE2 
     HIS( 20 A 101)         HD1 
     GLU( 20 A 106)         HE2 
     GLU( 20 A 119)         HE2 
     ASP( 20 A 122)         HD2 
     GLU( 20 A 136)         HE2 
     ASP( 20 A 147)         HD2 
     ASP( 20 A 149)         HD2 
     GLU( 20 A 152)         HE2 
     HIS( 20 A 153)         HD1 
     HIS( 20 A 154)         HD1 
     HIS( 20 A 155)         HE2 
     HIS( 20 A 156)         HD1 
     HIS( 20 A 157)         HD1 
     HIS( 20 A 158)         HD1 
==> The following residues have extra atoms:                         
    
     RES MOD#C SEQ          ATOMS
    
     HIS(  1 A 158)          O2 
     HIS(  2 A 158)          O2 
     HIS(  3 A 158)          O2 
     HIS(  4 A 158)          O2 
     HIS(  5 A 158)          O2 
     HIS(  6 A 158)          O2 
     HIS(  7 A 158)          O2 
     HIS(  8 A 158)          O2 
     HIS(  9 A 158)          O2 
     HIS( 10 A 158)          O2 
     HIS( 11 A 158)          O2 
     HIS( 12 A 158)          O2 
     HIS( 13 A 158)          O2 
     HIS( 14 A 158)          O2 
     HIS( 15 A 158)          O2 
     HIS( 16 A 158)          O2 
     HIS( 17 A 158)          O2 
     HIS( 18 A 158)          O2 
     HIS( 19 A 158)          O2 
     HIS( 20 A 158)          O2 


BER31_R3Cons_em_bcr3.pdb: Missing KEYWDS records

BER31_R3Cons_em_bcr3.pdb: Missing TITLE record