 
 Screen output (gelly own version)
 Geometry function summary
     term                           number     weight       rms        GooF      function     fn/numb
     ================================================================================================
     BOND bond lengths (angs)       4718       2.000      0.0107       0.546      2817.46       0.597
     ANGL bond angles (degs)        6406       2.000        1.30       0.812      8445.49       1.318
     TORS split-harmonic tors       1049       0.000       23.20       1.483         0.00       0.000
     SINTOR sinusoidal tors         1049       2.000       23.20                  3173.58       3.025
     TRIG.onal planes (angs)         110       2.000      0.0090       0.449        44.45       0.404
     PLAN general plane (angs)       666       5.000      0.0174       0.869      2516.06       3.778
     BCORrelations (angs*2)         4718      20.000       1.578       0.269      6843.16       1.450
     CONT (bad contacts)               0       5.000                                 0.00
     IDEAL(ideal-dist contact)      5136       4.000                             33369.43
     CHIRAL (gelly semiharmon)       584       5.000                                17.30
     SIM similarity restraint for NCS and/or TARGET                               6355.96
     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                           3.23 degs - monitor only
 
 WARNING: Have |delta/sigma| deviations > 5.0 sigma. Number of outliers for each term: 
 WARNING:         4 bond angles.  Worst is     6.2 sigs    94.14 degs A|186:N=CA=C (HIS)
 WARNING:         1 planes.       Worst is     5.3 sigs     0.11 Angs A|186:C=A|186:CA=A|186:O=A|187:N=A|187:CA=A|187:CD

 Weighted rms      0.0107         1.299  (temporary rms bond and angle for autobuster to pick up!)
 
 Bond length outliers, distances in Angstroms
      Actual       Ideal       Delta       Sigma Delta/Sigma
       1.592       1.524      -0.068       0.020      -3.424    A|187:CA=C (PRO)
       1.412       1.336      -0.076       0.023      -3.321    A|185:C(THR)=A|186:N(HIS)
       1.625       1.506      -0.119       0.039      -3.040    A|187:CB=CG (PRO)
 
 Bond angle outliers, angles in degrees
      Actual       Ideal       Delta       Sigma Delta/Sigma
      94.141     111.000      16.859       2.700       6.244    A|186:N=CA=C (HIS)
     135.517     121.700     -13.817       2.500      -5.527    A|85:C(ASN)=A|86:N(ASP)=A|86:CA(ASP)
      96.150     111.000      14.850       2.700       5.500    B|218:N=CA=C (GLU)
      97.207     111.000      13.793       2.700       5.109    B|222:N=CA=C (PHE)
     134.090     121.700     -12.390       2.500      -4.956    B|155:C(TRP)=B|156:N(ASP)=B|156:CA(ASP)
     124.422     112.100     -12.322       2.600      -4.739    A|87:N=CA=C (PRO)
     133.543     121.700     -11.843       2.500      -4.737    B|185:C(THR)=B|186:N(HIS)=B|186:CA(HIS)
     130.182     117.100     -13.082       2.800      -4.672    A|186:CA(HIS)=A|186:C(HIS)=A|187:N(PRO)
     138.094     127.000     -11.094       2.400      -4.623    A|186:C(HIS)=A|187:N(PRO)=A|187:CA(PRO)
      98.626     111.000      12.374       2.700       4.583    A|86:N=CA=C (ASP)
     125.403     115.300     -10.103       2.300      -4.392    B|215:CA=CB=CG (LEU)
     113.072     121.100       8.028       1.900       4.225    A|186:O(HIS)=A|186:C(HIS)=A|187:N(PRO)
     132.230     121.700     -10.530       2.500      -4.212    B|121:C(GLN)=B|122:N(LYS)=B|122:CA(LYS)
      99.662     111.000      11.338       2.700       4.199    B|155:N=CA=C (TRP)
     128.531     117.100     -11.431       2.800      -4.083    B|9:CA(ARG)=B|9:C(ARG)=B|10:N(PRO)
     121.856     111.000     -10.856       2.700      -4.021    B|86:N=CA=C (ASP)
     121.835     111.000     -10.835       2.700      -4.013    B|122:N=CA=C (LYS)
     111.839     120.600       8.761       2.200       3.982    A|186:C(HIS)=A|187:N(PRO)=A|187:CD(PRO)
     131.269     121.700      -9.569       2.500      -3.827    A|291:C(PHE)=A|292:N(ARG)=A|292:CA(ARG)
     121.973     110.500     -11.473       3.000      -3.824    B|104:CD1=CG=CD2 (LEU)
     125.013     119.300      -5.713       1.500      -3.809    B|186:C(HIS)=B|187:N(PRO)=B|187:CA(PRO)
     117.399     110.600      -6.799       1.800      -3.777    A|9:N=CA=CB (ARG)
     130.982     121.700      -9.282       2.500      -3.713    B|291:C(PHE)=B|292:N(ARG)=B|292:CA(ARG)
     117.791     110.400      -7.391       2.000      -3.695    B|89:CB=CA=C (GLU)
     130.655     121.700      -8.955       2.500      -3.582    B|265:C(LYS)=B|266:N(THR)=B|266:CA(THR)
     126.896     117.100      -9.796       2.800      -3.499    B|215:CA(LEU)=B|215:C(LEU)=B|216:N(PRO)
     103.112     112.100       8.988       2.600       3.457    A|216:N=CA=C (PRO)
     130.118     121.700      -8.418       2.500      -3.367    A|218:C(GLU)=A|219:N(THR)=A|219:CA(THR)
     130.105     121.700      -8.405       2.500      -3.362    A|265:C(LYS)=A|266:N(THR)=A|266:CA(THR)
     120.061     111.000      -9.061       2.700      -3.356    A|147:N=CA=C (LYS)
     130.076     121.700      -8.376       2.500      -3.350    A|155:C(TRP)=A|156:N(ASP)=A|156:CA(ASP)
     119.952     111.000      -8.952       2.700      -3.316    B|147:N=CA=C (LYS)
      99.843     103.800       3.957       1.200       3.298    A|187:CG=CD=N (PRO)
     129.890     121.700      -8.190       2.500      -3.276    B|93:C(LEU)=B|94:N(GLU)=B|94:CA(GLU)
     113.278     120.100       6.822       2.100       3.248    B|9:CA=C=O (ARG)
     103.908     110.400       6.492       2.000       3.246    B|20:N=CA=CB (LEU)
     116.303     110.200      -6.103       1.900      -3.212    B|215:CB=CA=C (LEU)
     119.575     111.000      -8.575       2.700      -3.176    A|239:N=CA=C (ASN)
     119.550     111.000      -8.550       2.700      -3.167    B|239:N=CA=C (ASN)
     125.871     117.100      -8.771       2.800      -3.132    B|86:CA(ASP)=B|86:C(ASP)=B|87:N(PRO)
     116.568     110.400      -6.168       2.000      -3.084    B|217:CB=CA=C (GLU)
     119.272     111.000      -8.272       2.700      -3.064    A|58:N=CA=C (LEU)
     119.119     111.000      -8.119       2.700      -3.007    B|186:N=CA=C (HIS)
 
 Torsion angles in degrees.
      Actual       Ideal       Delta       Sigma Delta/Sigma
       2.697      90.000      87.303      20.000       4.365    B|81:CA=CB=CG=CD1 (PHE)
       8.589      90.000      81.411      20.000       4.071    A|81:CA=CB=CG=CD1 (PHE)
       9.186      90.000      80.814      20.000       4.041    B|53:CA=CB=CG=CD1 (TRP)
       9.843      90.000      80.157      20.000       4.008    A|53:CA=CB=CG=CD1 (TRP)
     119.127      60.000     -59.127      15.000      -3.942    A|89:CA=CB=CG=CD (GLU)
    -121.587    -180.000     -58.413      15.000      -3.894    B|184:CB=CG=CD=NE (ARG)
      12.631      90.000      77.369      20.000       3.868    A|139:CA=CB=CG=CD1 (TYR)
      13.212      90.000      76.788      20.000       3.839    B|139:CA=CB=CG=CD1 (TYR)
     122.611     180.000      57.389      15.000       3.826    A|204:CA=CB=CG1=CD1 (ILE)
    -122.847    -180.000     -57.153      15.000      -3.810    B|287:N=CA=CB=SG (CYS)
     122.927     180.000      57.073      15.000       3.805    B|220:CA=CB=CG=SD (MET)
     123.657     180.000      56.343      15.000       3.756    B|217:N=CA=CB=CG (GLU)
     115.905      60.000     -55.905      15.000      -3.727    A|289:CA=CB=CG=CD2 (LEU)
     115.791      60.000     -55.791      15.000      -3.719    B|289:CA=CB=CG=CD2 (LEU)
    -124.280    -180.000     -55.720      15.000      -3.715    A|287:N=CA=CB=SG (CYS)
    -124.607    -180.000     -55.393      15.000      -3.693    B|22:CG=CD=CE=NZ (LYS)
    -115.216     -60.000      55.216      15.000       3.681    A|220:N=CA=CB=CG (MET)
    -125.697    -180.000     -54.303      15.000      -3.620    A|60:N=CA=CB=CG (MET)
    -125.765    -180.000     -54.235      15.000      -3.616    A|106:CA=CB=CG=CD (LYS)
     125.924     180.000      54.076      15.000       3.605    B|217:CA=CB=CG=CD (GLU)
    -126.414    -180.000     -53.586      15.000      -3.572    B|60:N=CA=CB=CG (MET)
    -113.583     -60.000      53.583      15.000       3.572    A|93:CA=CB=CG=CD2 (LEU)
    -126.565    -180.000     -53.435      15.000      -3.562    A|289:N=CA=CB=CG (LEU)
    -126.812    -180.000     -53.188      15.000      -3.546    B|289:N=CA=CB=CG (LEU)
     112.902      60.000     -52.902      15.000      -3.527    A|234:CG=CD=CE=NZ (LYS)
    -127.288    -180.000     -52.712      15.000      -3.514    B|242:N=CA=CB=CG2 (THR)
       7.406      60.000      52.594      15.000       3.506    B|215:N=CA=CB=CG (LEU)
     127.424     180.000      52.576      15.000       3.505    B|104:CA=CB=CG=CD2 (LEU)
     127.489     180.000      52.511      15.000       3.501    A|122:CA=CB=CG=CD (LYS)
     112.301      60.000     -52.301      15.000      -3.487    B|154:N=CA=CB=CG2 (THR)
    -111.889     -60.000      51.889      15.000       3.459    A|206:CB=CG=CD=CE (LYS)
     128.326     180.000      51.674      15.000       3.445    A|111:CA=CB=CG=CD2 (LEU)
    -111.556     -60.000      51.556      15.000       3.437    B|206:CB=CG=CD=CE (LYS)
    -111.363     -60.000      51.363      15.000       3.424    A|230:N=CA=CB=CG (LYS)
     129.117     180.000      50.883      15.000       3.392    B|111:CA=CB=CG=CD2 (LEU)
    -155.969     -90.000      65.969      20.000       3.298    A|186:CA=CB=CG=ND1 (HIS)
     130.570     180.000      49.430      15.000       3.295    A|16:CG=CD=CE=NZ (LYS)
    -130.658    -180.000     -49.342      15.000      -3.289    A|186:N=CA=CB=CG (HIS)
    -130.794    -180.000     -49.206      15.000      -3.280    A|275:CA=CB=CG=CD (ARG)
    -130.827    -180.000     -49.173      15.000      -3.278    B|208:N=CA=CB=CG (LEU)
    -108.993     -60.000      48.993      15.000       3.266    B|181:N=CA=CB=CG (GLU)
    -131.112    -180.000     -48.888      15.000      -3.259    B|275:CA=CB=CG=CD (ARG)
      11.177      60.000      48.823      15.000       3.255    B|12:CA=CB=CG=CD2 (LEU)
    -108.583     -60.000      48.583      15.000       3.239    A|184:CB=CG=CD=NE (ARG)
    -108.546     -60.000      48.546      15.000       3.236    A|181:N=CA=CB=CG (GLU)
     132.239     180.000      47.761      15.000       3.184    B|57:N=CA=CB=CG2 (ILE)
     132.592     180.000      47.408      15.000       3.161    A|94:CA=CB=CG=CD (GLU)
    -133.012    -180.000     -46.988      15.000      -3.133    A|12:N=CA=CB=CG (LEU)
    -105.803     -60.000      45.803      15.000       3.054    B|31:N=CA=CB=CG (LEU)
    -134.246    -180.000     -45.754      15.000      -3.050    A|184:N=CA=CB=CG (ARG)
    -134.336    -180.000     -45.664      15.000      -3.044    A|182:CA=CB=CG=CD2 (LEU)
    -134.478    -180.000     -45.522      15.000      -3.035    B|260:N=CA=CB=CG (MET)
    -105.145     -60.000      45.145      15.000       3.010    A|209:N=CA=CB=CG (GLU)
 
 PLAN plane outliers, r.m.s. devia from the plane in Angs (ideal zero)
      Actual       Sigma   Act/Sigma
       0.107       0.020       5.325    A|186:C=A|186:CA=A|186:O=A|187:N=A|187:CA=A|187:CD
       0.069       0.020       3.425    A|86:C=A|86:CA=A|86:O=A|87:N=A|87:CA=A|87:CD
       0.067       0.020       3.340    A|185:C=A|185:CA=A|185:O=A|186:N=A|186:CA
       0.061       0.020       3.027    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
       2.870       3.840       0.970       0.200       4.848    A|89:CG(GLU)=A|90:CG(PRO) symm: 1555=2675
       2.315       3.270       0.955       0.200       4.776    A|185:C(THR)=A|186:O(HIS)
       2.915       3.860       0.945       0.200       4.725    A|87:CB(PRO)=A|247:CD2(LEU) symm: 1555=2675
       2.944       3.880       0.936       0.200       4.679    B|243:CG1(VAL)=B|247:CD1(LEU)
       2.665       3.520       0.855       0.200       4.276    B|184:CG=NH1 (ARG)
       3.015       3.870       0.855       0.200       4.276    B|215:CB(LEU)=B|216:CA(PRO)
       2.593       3.440       0.847       0.200       4.237    B|222:O(PHE)=B|223:CB(MET)
       3.016       3.860       0.844       0.200       4.218    A|215:CD2(LEU)=A|220:CG(MET)
       2.217       3.040       0.823       0.200       4.113    A|216:O(PRO)=A|217:O(GLU)
       2.381       3.190       0.809       0.200       4.047    A|186:O(HIS)=A|187:CD(PRO)
       2.828       3.590       0.762       0.200       3.810    A|111:CA=CD1 (LEU)
       2.829       3.590       0.761       0.200       3.803    B|111:CA=CD1 (LEU)
       2.719       3.470       0.751       0.200       3.755    B|218:O(GLU)=B|219:CB(THR)
       3.070       3.820       0.750       0.200       3.751    A|215:CD2(LEU)=A|220:SD(MET)
       2.293       3.040       0.747       0.200       3.735    B|185:O(THR)=B|186:O(HIS)
       2.704       3.440       0.736       0.200       3.679    A|93:O(LEU)=A|94:CB(GLU)
       2.547       3.270       0.723       0.200       3.613    A|216:C(PRO)=A|217:O(GLU)
       2.823       3.540       0.717       0.200       3.585    B|122:CB=CE (LYS)
       2.331       3.040       0.709       0.200       3.543    B|219:O(THR)=B|222:O(PHE)
       2.767       3.460       0.693       0.200       3.464    B|185:O=CG2 (THR)
       2.905       3.590       0.685       0.200       3.423    A|247:CA=CD2 (LEU)
       2.907       3.590       0.683       0.200       3.413    B|31:CA=CD2 (LEU)
       3.186       3.860       0.674       0.200       3.371    B|12:CD1(LEU)=B|19:CB(PRO)
       2.998       3.670       0.672       0.200       3.362    B|215:CB(LEU)=B|216:C(PRO)
       2.599       3.270       0.671       0.200       3.353    B|9:O(ARG)=B|10:C(PRO)
       2.908       3.570       0.662       0.200       3.311    B|18:CA(VAL)=B|19:CD(PRO)
       2.610       3.270       0.660       0.200       3.301    A|90:O(PRO)=A|91:C(SER)
       2.731       3.390       0.659       0.200       3.297    B|57:C=CG2 (ILE)
       2.613       3.270       0.657       0.200       3.287    A|217:O(GLU)=A|218:C(GLU)
       2.897       3.550       0.653       0.200       3.264    B|86:N(ASP)=B|87:CA(PRO)
       2.622       3.270       0.648       0.200       3.238    A|91:O(SER)=A|92:C(GLY)
       2.945       3.590       0.645       0.200       3.226    A|289:CA=CD1 (LEU)
       2.945       3.590       0.645       0.200       3.223    B|289:CA=CD1 (LEU)
       3.197       3.840       0.643       0.200       3.216    B|89:CG(GLU)=B|90:CD(PRO)
       3.249       3.880       0.631       0.200       3.155    A|58:CD2(LEU)=A|104:CD2(LEU)
       2.763       3.390       0.627       0.200       3.134    B|204:C=CG2 (ILE)
       2.421       3.040       0.619       0.200       3.096    A|86:O(ASP)=A|89:O(GLU)
       2.301       2.920       0.619       0.200       3.096    A|186:N=O (HIS)
       2.773       3.390       0.617       0.200       3.086    A|204:C=CG2 (ILE)
       2.977       3.590       0.613       0.200       3.066    B|104:CA=CD1 (LEU)
       2.209       2.820       0.611       0.200       3.057    A|217:O(GLU)=A|219:N(THR)
       2.966       3.570       0.604       0.200       3.021    B|109:CA(LEU)=B|110:CD(PRO)
       3.260       3.860       0.600       0.200       3.001    A|201:CG(LYS)=A|220:CE(MET)
 

  Have      0 atom centres with inverted chirality and 
            8 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)
             5.67                B|207:CG1 (ILE)      
             5.62                B|178:O (GLU)        
             4.98                A|7:O (THR)          
             4.76                B|207:CD1 (ILE)      
             4.65                A|183:CB (SER)       
             4.47                A|183:OG (SER)       
             4.33                B|178:CB (GLU)       
             4.33                A|156:N (ASP)        
             4.31                B|156:N (ASP)        
             3.78                B|178:C (GLU)        
             3.66                A|7:C (THR)          
             3.56                B|207:O (ILE)        
             3.46                B|207:CB (ILE)       
             3.36                A|183:CA (SER)       
             3.28                A|7:CB (THR)         
 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
            97.41                A|35:CG (GLN)        
            97.41                B|35:CG (GLN)        
            94.90                A|154:CG2 (THR)      
            94.90                B|154:CG2 (THR)      
            90.17                B|35:OE1 (GLN)       
            90.17                A|35:OE1 (GLN)       
            88.32                B|177:NE2 (GLN)      
            88.32                A|177:NE2 (GLN)      
            88.27                A|104:CD1 (LEU)      
            88.27                B|104:CD1 (LEU)      
            86.71                B|177:OE1 (GLN)      
            86.71                A|177:OE1 (GLN)      
            86.37                B|104:CD2 (LEU)      
            86.37                A|104:CD2 (LEU)      
            86.36                A|234:CD (LYS)       
            86.36                B|234:CD (LYS)       
            85.80                B|154:OG1 (THR)      
            85.80                A|154:OG1 (THR)      
            85.58                A|260:CG (MET)       
            85.58                B|260:CG (MET)       
            85.49                B|234:CG (LYS)       
            85.49                A|234:CG (LYS)       
            84.29                A|22:CG (LYS)        
            84.29                B|22:CG (LYS)        
            83.45                B|26:OE2 (GLU)       
            83.45                A|26:OE2 (GLU)       
            79.34                A|260:CE (MET)       
            79.34                B|260:CE (MET)       
            77.06                B|26:OE1 (GLU)       
            77.06                A|26:OE1 (GLU)       
            71.59                B|35:NE2 (GLN)       
            71.59                A|35:NE2 (GLN)       
            70.07                B|178:OE2 (GLU)      
            65.61                B|178:CD (GLU)       
            64.74                A|22:CD (LYS)        
            64.74                B|22:CD (LYS)        
            61.41                B|22:CE (LYS)        
            61.41                A|22:CE (LYS)        
            60.90                B|178:OE1 (GLU)      
  
 Atoms that make the largest contribution to overall function value. 
     Report the (function contribution)/(median contribution). Median=         9.819
        15.5     A|186:O(HIS)        
        15.4     A|186:C(HIS)        
        12.9     A|187:CD(PRO)       
        12.9     A|217:O(GLU)        
        12.0     A|187:N(PRO)        
        10.7     A|186:CA(HIS)       
         9.8     B|215:CB(LEU)       
         9.7     A|187:CA(PRO)       
         9.6     A|215:CD2(LEU)      
         9.3     A|185:C(THR)        
         8.8     B|222:O(PHE)        
         8.5     A|89:CG(GLU)        
         8.2     A|90:CG(PRO)        
         8.2     A|86:CA(ASP)        
         8.1     A|247:CD2(LEU)      
         7.9     A|186:N(HIS)        
         7.7     A|86:N(ASP)         
         7.4     B|187:CA(PRO)       
         7.3     B|215:CA(LEU)       
         7.2     B|155:C(TRP)        
         7.0     B|186:CA(HIS)       
         6.9     A|87:CB(PRO)        
         6.8     A|187:C(PRO)        
         6.7     A|216:O(PRO)        
         6.5     B|10:C(PRO)         
         6.5     A|91:C(SER)         
         6.5     A|90:O(PRO)         
         6.4     A|85:C(ASN)         
         6.4     A|185:O(THR)        
         6.3     B|185:O(THR)        
         6.3     A|86:O(ASP)         
         6.3     A|109:CA(LEU)       
         6.2     B|186:C(HIS)        
         6.2     B|243:CG1(VAL)      
         6.2     A|10:C(PRO)         
         6.2     B|184:CG(ARG)       
         6.1     B|86:CA(ASP)        
         6.1     A|90:C(PRO)         
         6.0     A|93:O(LEU)         
         6.0     B|216:CA(PRO)       
         5.9     A|91:O(SER)         
         5.9     A|87:CA(PRO)        
         5.8     A|58:CD2(LEU)       
         5.8     B|187:N(PRO)        
         5.6     A|10:CA(PRO)        
         5.6     A|9:CA(ARG)         
         5.6     B|186:O(HIS)        
         5.6     B|223:CB(MET)       
         5.5     B|9:C(ARG)          
         5.5     A|87:C(PRO)         
         5.4     B|9:O(ARG)          
         5.4     B|10:CA(PRO)        
         5.4     B|218:N(GLU)        
         5.4     B|9:CA(ARG)         
         5.3     A|216:C(PRO)        
         5.3     A|11:C(PRO)         
         5.2     A|218:C(GLU)        
         5.1     B|104:CD1(LEU)      
         5.1     A|94:CB(GLU)        
         5.1     B|222:C(PHE)        
         5.0     B|218:O(GLU)        
         5.0     A|84:C(VAL)         
         5.0     B|109:CA(LEU)       
         5.0     B|215:C(LEU)        
         5.0     B|122:CB(LYS)       
         5.0     B|87:CA(PRO)        
         4.9     B|89:CA(GLU)        
         4.9     B|90:C(PRO)         
         4.9     B|90:CD(PRO)        
         4.9     B|86:N(ASP)         
         4.9     B|219:O(THR)        
         4.8     B|122:N(LYS)        
         4.8     A|11:CA(PRO)        
         4.7     A|219:N(THR)        
         4.7     A|188:N(VAL)        
         4.7     B|247:CD1(LEU)      
         4.6     B|218:CA(GLU)       
         4.6     A|247:CA(LEU)       
         4.6     B|219:CB(THR)       
         4.6     B|85:CA(ASN)        
         4.6     A|220:SD(MET)       
         4.5     B|155:CA(TRP)       
         4.5     B|184:NH1(ARG)      
         4.4     A|87:N(PRO)         
         4.4     B|12:CA(LEU)        
         4.4     B|86:C(ASP)         
         4.4     A|92:C(GLY)         
         4.4     A|86:C(ASP)         
         4.3     B|156:CA(ASP)       
         4.3     B|185:C(THR)        
         4.3     A|215:CA(LEU)       
         4.2     B|57:CG2(ILE)       
         4.2     B|46:CA(TYR)        
         4.2     B|204:C(ILE)        
         4.2     A|111:CA(LEU)       
         4.2     A|46:CA(TYR)        
         4.2     B|111:CA(LEU)       
         4.2     A|93:C(LEU)         
         4.2     B|222:CA(PHE)       
         4.2     A|84:CA(VAL)        
 
 (maximum number of reports in this screen output set to     100)
 (delta/sigma cutoff in this screen output is set to     3.000)
