 
 Screen output (gelly own version)
 Geometry function summary
     term                           number     weight       rms        GooF      function     fn/numb
     ================================================================================================
     BOND bond lengths (angs)       4718       2.000      0.0105       0.533      2682.90       0.569
     ANGL bond angles (degs)        6406       2.000        1.26       0.787      7936.89       1.239
     TORS split-harmonic tors       1049       0.000       23.22       1.484         0.00       0.000
     SINTOR sinusoidal tors         1049       2.000       23.22                  3181.14       3.033
     TRIG.onal planes (angs)         110       2.000      0.0085       0.423        39.44       0.359
     PLAN general plane (angs)       666       5.000      0.0165       0.824      2261.49       3.396
     BCORrelations (angs*2)         4718      20.000       1.595       0.272      6990.22       1.482
     CONT (bad contacts)               0       5.000                                 0.00
     IDEAL(ideal-dist contact)      5118       4.000                             32013.02
     CHIRAL (gelly semiharmon)       584       5.000                                15.30
     SIM similarity restraint for NCS and/or TARGET                              12238.55
     OCCSUM restraint on sum of occupanies                                           0.00       as none defined
     DISTAN utility restraints interatomic distance                                  0.00       as none defined
     UTILANGLE utility angle restraints                                              0.00       as none defined
     UTILTOR utility restraints on torsion angles                                    0.00       as none defined
     Peptide omega torsion angles                           3.09 degs - monitor only
 
 WARNING: Have |delta/sigma| deviations > 5.0 sigma. Number of outliers for each term: 
 WARNING:         1 bond angles.  Worst is     5.3 sigs   135.07 degs B|155:C(TRP)=B|156:N(ASP)=B|156:CA(ASP)

 Weighted rms      0.0105         1.260  (temporary rms bond and angle for autobuster to pick up!)
 
 Bond length outliers, distances in Angstroms
      Actual       Ideal       Delta       Sigma Delta/Sigma
       1.668       1.506      -0.162       0.039      -4.161    A|187:CB=CG (PRO)
       1.587       1.524      -0.063       0.020      -3.139    A|187:CA=C (PRO)
 
 Bond angle outliers, angles in degrees
      Actual       Ideal       Delta       Sigma Delta/Sigma
     135.073     121.700     -13.373       2.500      -5.349    B|155:C(TRP)=B|156:N(ASP)=B|156:CA(ASP)
      98.276     111.000      12.724       2.700       4.712    B|222:N=CA=C (PHE)
      98.474     111.000      12.526       2.700       4.639    A|186:N=CA=C (HIS)
      98.796     111.000      12.204       2.700       4.520    A|86:N=CA=C (ASP)
     137.658     127.000     -10.658       2.400      -4.441    A|186:C(HIS)=A|187:N(PRO)=A|187:CA(PRO)
      99.015     111.000      11.985       2.700       4.439    B|218:N=CA=C (GLU)
     132.217     121.700     -10.517       2.500      -4.207    A|85:C(ASN)=A|86:N(ASP)=A|86:CA(ASP)
     132.079     121.700     -10.379       2.500      -4.152    B|185:C(THR)=B|186:N(HIS)=B|186:CA(HIS)
     122.196     111.000     -11.196       2.700      -4.147    B|86:N=CA=C (ASP)
     128.313     117.100     -11.213       2.800      -4.005    A|186:CA(HIS)=A|186:C(HIS)=A|187:N(PRO)
     121.995     111.600     -10.395       2.700      -3.850    B|185:CB=CA=C (THR)
     131.216     121.700      -9.516       2.500      -3.806    A|291:C(PHE)=A|292:N(ARG)=A|292:CA(ARG)
     100.746     111.000      10.254       2.700       3.798    A|93:N=CA=C (LEU)
     113.954     121.100       7.146       1.900       3.761    A|186:O(HIS)=A|186:C(HIS)=A|187:N(PRO)
     130.946     121.700      -9.246       2.500      -3.698    B|291:C(PHE)=B|292:N(ARG)=B|292:CA(ARG)
     112.581     120.600       8.019       2.200       3.645    A|186:C(HIS)=A|187:N(PRO)=A|187:CD(PRO)
     130.751     121.700      -9.051       2.500      -3.620    B|265:C(LYS)=B|266:N(THR)=B|266:CA(THR)
     101.230     111.000       9.770       2.700       3.618    B|155:N=CA=C (TRP)
     130.525     121.700      -8.825       2.500      -3.530    A|265:C(LYS)=A|266:N(THR)=A|266:CA(THR)
     103.562     110.200       6.638       1.900       3.494    A|247:CB=CA=C (LEU)
     130.431     121.700      -8.731       2.500      -3.492    B|121:C(GLN)=B|122:N(LYS)=B|122:CA(LYS)
     120.219     111.000      -9.219       2.700      -3.414    A|239:N=CA=C (ASN)
     120.149     111.000      -9.149       2.700      -3.388    B|239:N=CA=C (ASN)
     119.959     111.000      -8.959       2.700      -3.318    B|122:N=CA=C (LYS)
     119.938     111.000      -8.938       2.700      -3.310    A|147:N=CA=C (LYS)
     116.465     110.600      -5.865       1.800      -3.258    B|89:N=CA=CB (GLU)
     120.531     113.400      -7.131       2.200      -3.241    B|178:CA=CB=CG (GLU)
     120.515     112.100      -8.415       2.600      -3.236    A|87:N=CA=C (PRO)
     116.334     110.200      -6.134       1.900      -3.228    B|215:CB=CA=C (LEU)
     102.317     111.000       8.683       2.700       3.216    B|223:N=CA=C (MET)
     122.686     115.300      -7.386       2.300      -3.211    B|215:CA=CB=CG (LEU)
     118.424     111.700      -6.724       2.100      -3.202    A|87:CB=CA=C (PRO)
     120.101     110.500      -9.601       3.000      -3.200    B|104:CD1=CG=CD2 (LEU)
     104.007     110.400       6.393       2.000       3.197    B|178:CB=CA=C (GLU)
     129.601     121.700      -7.901       2.500      -3.160    A|218:C(GLU)=A|219:N(THR)=A|219:CA(THR)
     116.638     110.400      -6.238       2.000      -3.119    B|247:N=CA=CB (LEU)
     118.862     113.600      -5.262       1.700      -3.095    A|186:CA=CB=CG (HIS)
     119.318     111.000      -8.318       2.700      -3.081    B|147:N=CA=C (LYS)
     116.143     110.300      -5.843       1.900      -3.075    A|154:N=CA=CB (THR)
     116.528     110.400      -6.128       2.000      -3.064    B|89:CB=CA=C (GLU)
     125.605     117.100      -8.505       2.800      -3.037    B|215:CA(LEU)=B|215:C(LEU)=B|216:N(PRO)
     115.965     110.200      -5.765       1.900      -3.034    B|247:CB=CA=C (LEU)
     102.856     111.000       8.144       2.700       3.016    B|46:N=CA=C (TYR)
 
 Torsion angles in degrees.
      Actual       Ideal       Delta       Sigma Delta/Sigma
       2.745      90.000      87.255      20.000       4.363    B|81:CA=CB=CG=CD1 (PHE)
       7.913      90.000      82.087      20.000       4.104    B|53:CA=CB=CG=CD1 (TRP)
       8.992      90.000      81.008      20.000       4.050    A|53:CA=CB=CG=CD1 (TRP)
       9.155      90.000      80.845      20.000       4.042    A|81:CA=CB=CG=CD1 (PHE)
    -119.987     -60.000      59.987      15.000       3.999    A|60:N=CA=CB=CG (MET)
    -120.059    -180.000     -59.941      15.000      -3.996    A|220:N=CA=CB=CG (MET)
    -120.721    -180.000     -59.279      15.000      -3.952    B|60:N=CA=CB=CG (MET)
     120.747     180.000      59.253      15.000       3.950    A|122:CA=CB=CG=CD (LYS)
     119.198      60.000     -59.198      15.000      -3.947    B|220:CA=CB=CG=SD (MET)
      13.006      90.000      76.994      20.000       3.850    A|139:CA=CB=CG=CD1 (TYR)
     122.372     180.000      57.628      15.000       3.842    B|104:CA=CB=CG=CD2 (LEU)
    -117.390     -60.000      57.390      15.000       3.826    B|208:N=CA=CB=CG (LEU)
      13.542      90.000      76.458      20.000       3.823    B|139:CA=CB=CG=CD1 (TYR)
    -122.924    -180.000     -57.076      15.000      -3.805    B|58:N=CA=CB=CG (LEU)
    -123.419    -180.000     -56.581      15.000      -3.772    B|20:N=CA=CB=CG (LEU)
    -123.678    -180.000     -56.322      15.000      -3.755    B|287:N=CA=CB=SG (CYS)
     115.726      60.000     -55.726      15.000      -3.715    B|289:CA=CB=CG=CD2 (LEU)
     115.701      60.000     -55.701      15.000      -3.713    A|289:CA=CB=CG=CD2 (LEU)
    -124.559    -180.000     -55.441      15.000      -3.696    A|287:N=CA=CB=SG (CYS)
    -124.749    -180.000     -55.251      15.000      -3.683    A|230:N=CA=CB=CG (LYS)
    -114.291     -60.000      54.291      15.000       3.619    B|31:N=CA=CB=CG (LEU)
     126.041     180.000      53.959      15.000       3.597    A|94:CA=CB=CG=CD (GLU)
     113.885      60.000     -53.885      15.000      -3.592    B|204:CA=CB=CG1=CD1 (ILE)
    -126.494    -180.000     -53.506      15.000      -3.567    A|106:CA=CB=CG=CD (LYS)
    -113.367     -60.000      53.367      15.000       3.558    A|93:CA=CB=CG=CD2 (LEU)
    -126.825    -180.000     -53.175      15.000      -3.545    B|242:N=CA=CB=CG2 (THR)
     127.608     180.000      52.392      15.000       3.493    A|16:CG=CD=CE=NZ (LYS)
     112.076      60.000     -52.076      15.000      -3.472    B|154:N=CA=CB=CG2 (THR)
       8.135      60.000      51.865      15.000       3.458    B|215:N=CA=CB=CG (LEU)
    -128.301    -180.000     -51.699      15.000      -3.447    B|9:N=CA=CB=CG (ARG)
    -128.303    -180.000     -51.697      15.000      -3.446    A|31:N=CA=CB=CG (LEU)
    -128.428    -180.000     -51.572      15.000      -3.438    A|275:CA=CB=CG=CD (ARG)
    -128.465    -180.000     -51.535      15.000      -3.436    B|275:CA=CB=CG=CD (ARG)
    -128.692    -180.000     -51.308      15.000      -3.421    A|289:N=CA=CB=CG (LEU)
    -129.042    -180.000     -50.958      15.000      -3.397    B|289:N=CA=CB=CG (LEU)
    -129.130    -180.000     -50.870      15.000      -3.391    B|247:CA=CB=CG=CD2 (LEU)
    -110.747     -60.000      50.747      15.000       3.383    A|206:CB=CG=CD=CE (LYS)
     129.451     180.000      50.549      15.000       3.370    A|111:CA=CB=CG=CD2 (LEU)
    -110.096     -60.000      50.096      15.000       3.340    B|206:CB=CG=CD=CE (LYS)
     130.016     180.000      49.984      15.000       3.332    B|111:CA=CB=CG=CD2 (LEU)
    -130.037    -180.000     -49.963      15.000      -3.331    A|58:N=CA=CB=CG (LEU)
    -130.701    -180.000     -49.299      15.000      -3.287    B|22:CG=CD=CE=NZ (LYS)
    -131.342    -180.000     -48.658      15.000      -3.244    A|122:N=CA=CB=CG (LYS)
    -131.762    -180.000     -48.238      15.000      -3.216    B|260:N=CA=CB=CG (MET)
    -131.967    -180.000     -48.033      15.000      -3.202    A|186:N=CA=CB=CG (HIS)
    -107.928     -60.000      47.928      15.000       3.195    A|184:CB=CG=CD=NE (ARG)
     107.634      60.000     -47.634      15.000      -3.176    B|217:CA=CB=CG=CD (GLU)
    -132.668    -180.000     -47.332      15.000      -3.155    A|12:N=CA=CB=CG (LEU)
     132.991     180.000      47.009      15.000       3.134    B|223:CB=CG=SD=CE (MET)
     106.862      60.000     -46.862      15.000      -3.124    A|201:CG=CD=CE=NZ (LYS)
     -13.768     -60.000     -46.232      15.000      -3.082    B|12:CA=CB=CG=CD2 (LEU)
    -105.784     -60.000      45.784      15.000       3.052    B|181:N=CA=CB=CG (GLU)
     105.735      60.000     -45.735      15.000      -3.049    B|201:CG=CD=CE=NZ (LYS)
    -105.467     -60.000      45.467      15.000       3.031    A|209:N=CA=CB=CG (GLU)
    -134.553    -180.000     -45.447      15.000      -3.030    B|184:CB=CG=CD=NE (ARG)
    -134.903    -180.000     -45.097      15.000      -3.006    A|7:N=CA=CB=CG2 (THR)
 
 PLAN plane outliers, r.m.s. devia from the plane in Angs (ideal zero)
      Actual       Sigma   Act/Sigma
       0.083       0.020       4.162    A|186:C=A|186:CA=A|186:O=A|187:N=A|187:CA=A|187:CD
       0.066       0.020       3.287    B|186:C=B|186:CA=B|186:O=B|187:N=B|187:CA=B|187:CD
 
 Ideal-contact distance outliers, distances in Angstroms
      Actual    ContactD       Delta       Sigma Delta/Sigma
       2.391       3.270       0.879       0.200       4.397    A|185:C(THR)=A|186:O(HIS)
       3.061       3.870       0.809       0.200       4.044    B|215:CB(LEU)=B|216:CA(PRO)
       2.420       3.190       0.770       0.200       3.848    A|186:O(HIS)=A|187:CD(PRO)
       2.756       3.520       0.764       0.200       3.819    B|184:CG=NH1 (ARG)
       2.851       3.590       0.739       0.200       3.696    A|111:CA=CD1 (LEU)
       2.702       3.440       0.738       0.200       3.692    B|222:O(PHE)=B|223:CB(MET)
       2.856       3.590       0.734       0.200       3.668    B|111:CA=CD1 (LEU)
       2.556       3.270       0.714       0.200       3.571    A|86:O(ASP)=A|87:C(PRO)
       2.735       3.440       0.705       0.200       3.525    A|93:O(LEU)=A|94:CB(GLU)
       2.835       3.540       0.705       0.200       3.524    B|122:CB=CE (LYS)
       3.163       3.860       0.697       0.200       3.487    A|87:CB(PRO)=A|247:CD2(LEU) symm: 1555=2675
       2.873       3.570       0.697       0.200       3.483    B|18:CA(VAL)=B|19:CD(PRO)
       3.167       3.860       0.693       0.200       3.464    A|215:CD2(LEU)=A|220:CG(MET)
       2.790       3.470       0.680       0.200       3.399    B|218:O(GLU)=B|219:CB(THR)
       2.603       3.270       0.667       0.200       3.335    A|216:C(PRO)=A|217:O(GLU)
       3.225       3.880       0.655       0.200       3.274    A|58:CD1(LEU)=A|207:CG2(ILE)
       2.939       3.590       0.651       0.200       3.256    A|289:CA=CD1 (LEU)
       3.170       3.820       0.650       0.200       3.248    A|215:CD2(LEU)=A|220:SD(MET)
       2.944       3.590       0.646       0.200       3.228    B|289:CA=CD1 (LEU)
       2.402       3.040       0.638       0.200       3.192    A|185:O(THR)=A|186:O(HIS)
       2.919       3.550       0.631       0.200       3.157    B|86:N(ASP)=B|87:CA(PRO)
       2.960       3.590       0.630       0.200       3.152    B|12:CA=CD2 (LEU)
       2.962       3.590       0.628       0.200       3.142    B|31:CA=CD2 (LEU)
       2.836       3.460       0.624       0.200       3.119    B|185:O=CG2 (THR)
       3.267       3.880       0.613       0.200       3.066    B|243:CG1(VAL)=B|247:CD1(LEU)
       2.957       3.570       0.613       0.200       3.065    A|86:CA(ASP)=A|87:CD(PRO)
       2.978       3.590       0.612       0.200       3.059    A|31:CA=CD1 (LEU)
       2.980       3.590       0.610       0.200       3.049    B|104:CA=CD1 (LEU)
 

  Have      0 atom centres with inverted chirality and 
            9 atom centres with approaching-planar chirality
  
 LSSR restraints for NCS
    Atoms that are pulled the hardest by LSSR NCS restraints: 
    (Consider whether side chain or residue NCS partners could be close yet 
     distinct. If so you may want to prune this out from the relevant NCS set.) 
       LSSR_grad_norm/           atom
    avg(LSSR_grad_norm)
             4.62                A|156:N (ASP)        
             4.54                A|7:C (THR)          
             4.53                B|156:N (ASP)        
             4.46                A|21:O (ILE)         
             4.24                B|31:CG (LEU)        
             4.22                A|31:CG (LEU)        
             3.70                A|9:O (ARG)          
             3.70                B|204:CG1 (ILE)      
             3.70                B|61:CD1 (ILE)       
             3.69                A|61:CD1 (ILE)       
             3.68                B|9:O (ARG)          
             3.51                A|204:CG1 (ILE)      
             3.31                A|204:CD1 (ILE)      
             3.27                B|204:CD1 (ILE)      
             3.15                A|7:O (THR)          
             3.14                A|204:CG2 (ILE)      
             3.12                B|204:CG2 (ILE)      
             3.08                A|21:CG2 (ILE)       
             3.03                B|247:CG (LEU)       
 LSSR restraints for NCS
    Atoms with the highest function contribution.
    (Shows atoms with most different local environment between related copies)
       %_max_LSSR_NCS_funct          atom
           100.00                B|23:OH (TYR)        
           100.00                A|23:OH (TYR)        
            96.81                A|28:CD1 (LEU)       
            96.81                B|28:CD1 (LEU)       
            95.36                A|35:CG (GLN)        
            95.36                B|35:CG (GLN)        
            93.88                B|154:CG2 (THR)      
            93.88                A|154:CG2 (THR)      
            90.79                B|31:CD2 (LEU)       
            90.79                A|31:CD2 (LEU)       
            89.69                A|247:CD2 (LEU)      
            89.69                B|247:CD2 (LEU)      
            89.37                A|260:CG (MET)       
            89.37                B|260:CG (MET)       
            88.98                B|104:CD1 (LEU)      
            88.98                A|104:CD1 (LEU)      
            87.63                B|177:OE1 (GLN)      
            87.63                A|177:OE1 (GLN)      
            87.55                A|260:CE (MET)       
            87.55                B|260:CE (MET)       
            86.81                A|230:CE (LYS)       
            86.81                B|230:CE (LYS)       
            86.02                B|104:CD2 (LEU)      
            86.02                A|104:CD2 (LEU)      
            85.96                B|177:NE2 (GLN)      
            85.96                A|177:NE2 (GLN)      
            85.58                A|234:CG (LYS)       
            85.58                B|234:CG (LYS)       
            85.49                B|234:CD (LYS)       
            85.49                A|234:CD (LYS)       
            85.45                A|22:CG (LYS)        
            85.45                B|22:CG (LYS)        
            85.43                A|35:OE1 (GLN)       
            85.43                B|35:OE1 (GLN)       
            85.14                B|120:OD2 (ASP)      
            85.14                A|120:OD2 (ASP)      
            85.00                B|31:CD1 (LEU)       
            85.00                A|31:CD1 (LEU)       
            84.75                B|116:OE1 (GLN)      
            84.75                A|116:OE1 (GLN)      
            83.67                B|154:OG1 (THR)      
            83.67                A|154:OG1 (THR)      
            82.81                B|230:CD (LYS)       
            82.81                A|230:CD (LYS)       
            82.59                B|26:OE2 (GLU)       
            82.59                A|26:OE2 (GLU)       
            82.18                B|116:NE2 (GLN)      
            82.18                A|116:NE2 (GLN)      
            81.45                B|28:CD2 (LEU)       
            81.45                A|28:CD2 (LEU)       
            80.23                B|247:CB (LEU)       
            80.23                A|247:CB (LEU)       
            79.73                B|26:OE1 (GLU)       
            79.73                A|26:OE1 (GLU)       
            78.53                A|120:OD1 (ASP)      
            78.53                B|120:OD1 (ASP)      
            77.22                B|230:NZ (LYS)       
            77.22                A|230:NZ (LYS)       
            75.75                B|9:CG (ARG)         
            75.75                A|9:CG (ARG)         
            75.30                B|98:OD2 (ASP)       
            75.30                A|98:OD2 (ASP)       
            74.19                A|9:CD (ARG)         
            74.19                B|9:CD (ARG)         
            74.08                A|230:CG (LYS)       
            74.08                B|230:CG (LYS)       
            74.07                A|35:NE2 (GLN)       
            74.07                B|35:NE2 (GLN)       
            71.26                B|98:OD1 (ASP)       
            71.26                A|98:OD1 (ASP)       
            70.57                B|22:CD (LYS)        
            70.57                A|22:CD (LYS)        
            69.25                A|247:CD1 (LEU)      
            69.25                B|247:CD1 (LEU)      
            69.09                B|23:CE1 (TYR)       
            69.09                A|23:CE1 (TYR)       
            68.94                A|9:NE (ARG)         
            68.94                B|9:NE (ARG)         
            67.62                B|234:CE (LYS)       
            67.62                A|234:CE (LYS)       
            66.97                A|28:CG (LEU)        
            66.97                B|28:CG (LEU)        
            65.70                A|98:CG (ASP)        
            65.70                B|98:CG (ASP)        
            64.36                A|9:CZ (ARG)         
            64.36                B|9:CZ (ARG)         
  
 Atoms that make the largest contribution to overall function value. 
     Report the (function contribution)/(median contribution). Median=         9.682
        13.1     A|186:O(HIS)        
        11.3     A|186:C(HIS)        
         9.2     A|187:CD(PRO)       
         8.8     A|217:O(GLU)        
         8.7     A|187:N(PRO)        
         8.2     A|186:CA(HIS)       
         7.8     A|86:CA(ASP)        
         7.5     B|215:CB(LEU)       
         7.4     A|185:C(THR)        
         7.4     A|187:CA(PRO)       
         7.3     A|215:CD2(LEU)      
         7.2     A|10:C(PRO)         
         7.1     B|155:C(TRP)        
         6.7     B|186:CA(HIS)       
         6.6     A|86:O(ASP)         
         6.5     B|222:O(PHE)        
         6.3     A|109:CA(LEU)       
         6.3     B|215:CA(LEU)       
         6.3     A|86:N(ASP)         
         6.3     B|86:CA(ASP)        
         6.2     B|10:C(PRO)         
         6.1     A|87:C(PRO)         
         6.0     A|186:N(HIS)        
         6.0     A|247:CD2(LEU)      
         5.9     A|185:O(THR)        
         5.9     A|10:CA(PRO)        
         5.9     A|87:CB(PRO)        
         5.9     A|87:CA(PRO)        
         5.8     A|86:OD1(ASP)       
         5.8     A|85:C(ASN)         
         5.6     A|187:C(PRO)        
         5.5     B|187:CA(PRO)       
         5.4     A|94:CB(GLU)        
         5.4     A|93:O(LEU)         
         5.3     B|10:CA(PRO)        
         5.3     A|11:C(PRO)         
         5.3     B|184:CG(ARG)       
         5.3     B|86:N(ASP)         
         5.2     A|89:CG(GLU)        
         5.1     B|12:CA(LEU)        
         5.0     B|109:CA(LEU)       
         5.0     A|11:CA(PRO)        
         4.9     A|9:CA(ARG)         
         4.9     B|122:CB(LYS)       
         4.8     B|186:C(HIS)        
         4.8     A|247:CA(LEU)       
         4.8     B|156:N(ASP)        
         4.8     B|222:C(PHE)        
         4.7     B|89:CA(GLU)        
         4.7     B|216:CA(PRO)       
         4.7     A|86:C(ASP)         
         4.7     B|223:CB(MET)       
         4.7     A|90:CG(PRO)        
         4.7     A|89:CB(GLU)        
         4.6     B|156:CA(ASP)       
         4.6     A|93:C(LEU)         
         4.6     A|207:CG2(ILE)      
         4.6     B|90:CD(PRO)        
         4.6     B|87:CA(PRO)        
         4.5     B|9:CA(ARG)         
         4.5     A|58:CD1(LEU)       
         4.5     B|104:CD1(LEU)      
         4.5     A|90:CA(PRO)        
         4.4     A|219:N(THR)        
         4.4     B|86:C(ASP)         
         4.4     B|46:CA(TYR)        
         4.3     A|46:CA(TYR)        
         4.3     B|85:CA(ASN)        
         4.3     B|155:CA(TRP)       
         4.3     A|216:C(PRO)        
         4.2     B|90:C(PRO)         
         4.2     B|90:CA(PRO)        
         4.2     A|90:O(PRO)         
         4.2     B|101:CA(PRO)       
         4.2     B|218:N(GLU)        
         4.2     B|187:CD(PRO)       
         4.1     B|104:CA(LEU)       
         4.1     A|11:N(PRO)         
         4.1     A|90:C(PRO)         
         4.1     A|9:O(ARG)          
         4.1     B|111:CA(LEU)       
         4.1     A|111:CA(LEU)       
         4.1     B|84:C(VAL)         
         4.0     B|20:CA(LEU)        
         4.0     A|216:CD(PRO)       
         4.0     B|178:CB(GLU)       
         4.0     B|243:CG1(VAL)      
         4.0     B|185:O(THR)        
         4.0     B|187:N(PRO)        
         4.0     B|18:CA(VAL)        
         4.0     A|101:CA(PRO)       
         4.0     B|219:CB(THR)       
         4.0     B|218:O(GLU)        
         3.9     B|114:CA(LEU)       
         3.9     B|11:CA(PRO)        
         3.9     B|19:CD(PRO)        
         3.9     A|84:C(VAL)         
         3.9     B|46:O(TYR)         
         3.9     A|220:SD(MET)       
         3.8     A|215:CA(LEU)       
 
 (maximum number of reports in this screen output set to     100)
 (delta/sigma cutoff in this screen output is set to     3.000)
