*HEADER    IMMUNE SYSTEM                           12-JUL-10   2XKS
*TITLE     PRION-LIKE CONVERSION DURING AMYLOID FORMATION AT ATOMIC
*TITLE    2 RESOLUTION
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: BETA-2-MICROGLOBULIN;
*COMPND   3 CHAIN: A;
*COMPND   4 ENGINEERED: YES
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE   3 ORGANISM_COMMON: HUMAN;
*SOURCE   4 ORGANISM_TAXID: 9606;
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 469008;
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET23A
*KEYWDS    IMMUNE SYSTEM, AMYLOIDOSIS, CIS-PROLINE, IG-DOMAIN
*EXPDTA    SOLUTION NMR
*AUTHOR    T.EICHNER,A.P.KALVERDA,G.S.THOMPSON,S.E.RADFORD,S.W.HOMANS
*REVDAT   1   13-JUL-10 2XKS    0




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   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 67   and name  HB1 ))

      4.745     0.627     0.627
 or 
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 24   and name  HB1 ))
 assi 
   (( segid "   A" and resid 63   and name  HN  ))
   (( segid "   A" and resid 62   and name  HN  ))

      4.021     0.538     0.538
 or 
   (( segid "   A" and resid 63   and name  HN  ))
   (( segid "   A" and resid 52   and name  HN  ))
 assi 
   (( segid "   A" and resid 26   and name  HN  ))
   (  segid "   A" and resid 9    and name  HG# )

      3.652     0.455     0.455
 or 
   (( segid "   A" and resid 26   and name  HN  ))
   (  segid "   A" and resid 27   and name  HG1#)
 assi 
   (( segid "   A" and resid 26   and name  HN  ))
   (  segid "   A" and resid 27   and name  HG2#)

      4.494     0.565     0.565
 or 
   (( segid "   A" and resid 26   and name  HN  ))
   (  segid "   A" and resid 7    and name  HD1#)
 assi 
   (( segid "   A" and resid 37   and name  HN  ))
   (( segid "   A" and resid 80   and name  HA  ))

      4.318     0.603     0.603
 or 
   (( segid "   A" and resid 37   and name  HN  ))
   (( segid "   A" and resid 38   and name  HA  ))
 assi 
   (( segid "   A" and resid 37   and name  HN  ))
   (  segid "   A" and resid 36   and name  HG# )

      3.050     0.310     0.310
 assi 
   (( segid "   A" and resid 38   and name  HN  ))
   (( segid "   A" and resid 81   and name  HN  ))

      4.176     0.430     0.430
 or 
   (( segid "   A" and resid 38   and name  HN  ))
   (( segid "   A" and resid 80   and name  HN  ))
 assi 
   (( segid "   A" and resid 41   and name  HN  ))
   (( segid "   A" and resid 45   and name  HA  ))

      4.217     0.544     0.544
 or 
   (( segid "   A" and resid 41   and name  HN  ))
   (( segid "   A" and resid 43   and name  HA1 ))
 assi 
   (( segid "   A" and resid 41   and name  HN  ))
   (( segid "   A" and resid 75   and name  HB2 ))

      5.272     0.635     0.635
 or 
   (( segid "   A" and resid 41   and name  HN  ))
   (( segid "   A" and resid 44   and name  HB2 ))
 assi 
   (( segid "   A" and resid 42   and name  HN  ))
   (( segid "   A" and resid 41   and name  HG1 ))

      4.307     0.443     0.443
 or 
   (( segid "   A" and resid 42   and name  HN  ))
   (( segid "   A" and resid 40   and name  HB2 ))
 assi 
   (( segid "   A" and resid 50   and name  HN  ))
   (  segid "   A" and resid 48   and name  HG# )

      2.730     0.280     0.280
 assi 
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 50   and name  HB2 ))

      3.416     0.320     0.320
 or 
   (( segid "   A" and resid 50   and name  HN  ))
   (  segid "   A" and resid 39   and name  HD1#)
 assi 
   (( segid "   A" and resid 51   and name  HN  ))
   (( segid "   A" and resid 52   and name  HN  ))

      4.273     0.517     0.517
 or 
   (( segid "   A" and resid 61   and name  HN  ))
   (( segid "   A" and resid 62   and name  HN  ))
 assi 
   (( segid "   A" and resid 61   and name  HN  ))
   (( segid "   A" and resid 61   and name  HA  ))

      2.935     0.397     0.397
 or 
   (( segid "   A" and resid 51   and name  HN  ))
   (( segid "   A" and resid 51   and name  HA  ))
 assi 
   (( segid "   A" and resid 51   and name  HN  ))
   (  segid "   A" and resid 48   and name  HG# )

      3.698     0.287     0.287
 assi 
   (( segid "   A" and resid 63   and name  HN  ))
   (( segid "   A" and resid 52   and name  HN  ))

      4.223     0.590     0.590
 or 
   (( segid "   A" and resid 51   and name  HN  ))
   (( segid "   A" and resid 52   and name  HN  ))
 assi 
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 63   and name  HB2 ))

      4.568     0.577     0.577
 or 
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 50   and name  HB1 ))
 assi 
   (( segid "   A" and resid 65   and name  HN  ))
   (  segid "   A" and resid 65   and name  HD2#)

      2.748     0.347     0.347
 or 
   (( segid "   A" and resid 65   and name  HN  ))
   (  segid "   A" and resid 49   and name  HG2#)
 assi 
   (( segid "   A" and resid 66   and name  HN  ))
   (  segid "   A" and resid 49   and name  HG2#)

      3.767     0.431     0.431
 or 
   (( segid "   A" and resid 66   and name  HN  ))
   (  segid "   A" and resid 65   and name  HD2#)
 assi 
   (( segid "   A" and resid 67   and name  HN  ))
   (( segid "   A" and resid 65   and name  HB2 ))

      4.860     0.701     0.701
 or 
   (( segid "   A" and resid 67   and name  HN  ))
   (( segid "   A" and resid 22   and name  HB2 ))
 assi 
   (( segid "   A" and resid 75   and name  HN  ))
   (( segid "   A" and resid 76   and name  HD2 ))

      4.233     0.455     0.455
 or 
   (( segid "   A" and resid 75   and name  HN  ))
   (  segid "   A" and resid 78   and name  HD# )
 or 
   (( segid "   A" and resid 74   and name  HN  ))
   (( segid "   A" and resid 75   and name  HN  ))
 assi 
   (( segid "   A" and resid 75   and name  HN  ))
   (( segid "   A" and resid 42   and name  HA  ))

      3.727     0.456     0.456
 or 
   (( segid "   A" and resid 75   and name  HN  ))
   (( segid "   A" and resid 41   and name  HA  ))
 assi 
   (( segid "   A" and resid 75   and name  HN  ))
   (( segid "   A" and resid 41   and name  HD1 ))

      4.299     0.523     0.523
 or 
   (( segid "   A" and resid 75   and name  HN  ))
   (( segid "   A" and resid 41   and name  HB1 ))
 assi 
   (( segid "   A" and resid 77   and name  HN  ))
   (  segid "   A" and resid 40   and name  HD1#)

      3.820     0.414     0.414
 or 
   (( segid "   A" and resid 77   and name  HN  ))
   (( segid "   A" and resid 41   and name  HG2 ))
 assi 
   (( segid "   A" and resid 78   and name  HN  ))
   (  segid "   A" and resid 92   and name  HD1#)

      4.504     0.560     0.560
 or 
   (( segid "   A" and resid 78   and name  HN  ))
   (( segid "   A" and resid 92   and name  HB  ))
 or 
   (( segid "   A" and resid 78   and name  HN  ))
   (( segid "   A" and resid 39   and name  HB1 ))
 assi 
   (( segid "   A" and resid 79   and name  HN  ))
   (( segid "   A" and resid 40   and name  HB1 ))

      4.336     0.568     0.568
 or 
   (( segid "   A" and resid 79   and name  HN  ))
   (( segid "   A" and resid 39   and name  HG  ))
 assi 
   (( segid "   A" and resid 80   and name  HN  ))
   (  segid "   A" and resid 87   and name  HD1#)

      3.532     0.409     0.409
 or 
   (( segid "   A" and resid 80   and name  HN  ))
   (  segid "   A" and resid 27   and name  HG1#)
 assi 
   (( segid "   A" and resid 81   and name  HN  ))
   (  segid "   A" and resid 87   and name  HD1#)

      3.957     0.541     0.541
 or 
   (( segid "   A" and resid 81   and name  HN  ))
   (  segid "   A" and resid 27   and name  HG1#)
 assi 
   (( segid "   A" and resid 82   and name  HN  ))
   (( segid "   A" and resid 84   and name  HB2 ))

      3.063     0.352     0.352
 or 
   (( segid "   A" and resid 82   and name  HN  ))
   (( segid "   A" and resid 81   and name  HB2 ))
 assi 
   (( segid "   A" and resid 82   and name  HN  ))
   (( segid "   A" and resid 88   and name  HB2 ))

      4.428     0.526     0.526
 or 
   (( segid "   A" and resid 82   and name  HN  ))
   (  segid "   A" and resid 86   and name  HG2#)
 or 
   (( segid "   A" and resid 82   and name  HN  ))
   (( segid "   A" and resid 35   and name  HG11))
 assi 
   (( segid "   A" and resid 89   and name  HN  ))
   (  segid "   A" and resid 92   and name  HD1#)

      3.462     0.407     0.407
 or 
   (( segid "   A" and resid 89   and name  HN  ))
   (  segid "   A" and resid 7    and name  HD1#)
 assi 
   (( segid "   A" and resid 89   and name  HN  ))
   (( segid "   A" and resid 81   and name  HG1 ))

      3.209     0.368     0.368
 or 
   (( segid "   A" and resid 89   and name  HN  ))
   (( segid "   A" and resid 89   and name  HG2 ))
 assi 
   (( segid "   A" and resid 92   and name  HN  ))
   (( segid "   A" and resid 91   and name  HD1 ))

      2.329     0.235     0.235
 or 
   (( segid "   A" and resid 92   and name  HN  ))
   (( segid "   A" and resid 92   and name  HB  ))
 assi 
   (( segid "   A" and resid 91   and name  HN  ))
   (( segid "   A" and resid 92   and name  HG12))

      3.238     0.321     0.321
 or 
   (( segid "   A" and resid 91   and name  HN  ))
   (  segid "   A" and resid 7    and name  HG2#)
 assi 
   (( segid "   A" and resid 78   and name  HN  ))
   (( segid "   A" and resid 92   and name  HN  ))

      3.778     0.446     0.446
 or 
   (( segid "   A" and resid 91   and name  HN  ))
   (( segid "   A" and resid 92   and name  HN  ))
 assi 
   (( segid "   A" and resid 93   and name  HN  ))
   (( segid "   A" and resid 95   and name  HD1 ))

      5.252     0.665     0.665
 or 
   (( segid "   A" and resid 93   and name  HN  ))
   (( segid "   A" and resid 76   and name  HD2 ))
 or 
   (( segid "   A" and resid 93   and name  HN  ))
   (  segid "   A" and resid 78   and name  HD# )
 assi 
   (( segid "   A" and resid 83   and name  HD21))
   (( segid "   A" and resid 82   and name  HA  ))

      5.549     0.767     0.767
 or 
   (( segid "   A" and resid 83   and name  HD21))
   (( segid "   A" and resid 35   and name  HA  ))
 assi 
   (( segid "   A" and resid 83   and name  HD21))
   (  segid "   A" and resid 36   and name  HG# )

      4.196     0.534     0.534
 assi 
   (( segid "   A" and resid 83   and name  HD22))
   (  segid "   A" and resid 36   and name  HG# )

      4.869     0.604     0.604
 assi 
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 46   and name  HB  ))

      2.472     0.313     0.313
 or 
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 45   and name  HG1 ))
 assi 
   (( segid "   A" and resid 87   and name  HN  ))
   (  segid "   A" and resid 88   and name  HB# )

      3.592     0.353     0.353
 assi 
   (( segid "   A" and resid 43   and name  HN  ))
   (( segid "   A" and resid 75   and name  HB2 ))

      5.138     0.468     0.468
 or 
   (( segid "   A" and resid 43   and name  HN  ))
   (( segid "   A" and resid 44   and name  HB2 ))
 assi 
   (( segid "   A" and resid 82   and name  HN  ))
   (( segid "   A" and resid 88   and name  HA  ))

      3.027     0.352     0.352
 or 
   (( segid "   A" and resid 82   and name  HN  ))
   (( segid "   A" and resid 82   and name  HA  ))
 assi 
   (( segid "   A" and resid 77   and name  HN  ))
   (  segid "   A" and resid 77   and name  HB# )

      2.638     0.311     0.311
 or 
   (( segid "   A" and resid 77   and name  HN  ))
   (( segid "   A" and resid 40   and name  HG  ))
 assi 
   (( segid "   A" and resid 77   and name  HN  ))
   (( segid "   A" and resid 41   and name  HG1 ))

      3.553     0.373     0.373
 or 
   (( segid "   A" and resid 77   and name  HN  ))
   (( segid "   A" and resid 40   and name  HB2 ))
 assi 
   (( segid "   A" and resid 79   and name  HN  ))
   (  segid "   A" and resid 92   and name  HG2#)

      3.518     0.394     0.394
 or 
   (( segid "   A" and resid 79   and name  HN  ))
   (  segid "   A" and resid 40   and name  HD1#)
 assi 
   (( segid "   A" and resid 79   and name  HN  ))
   (( segid "   A" and resid 91   and name  HN  ))

      3.767     0.426     0.426
 or 
   (( segid "   A" and resid 78   and name  HN  ))
   (( segid "   A" and resid 79   and name  HN  ))
 or 
   (( segid "   A" and resid 79   and name  HN  ))
   (( segid "   A" and resid 39   and name  HN  ))
 assi 
   (( segid "   A" and resid 63   and name  HN  ))
   (  segid "   A" and resid 65   and name  HD2#)

      4.045     0.441     0.441
 or 
   (( segid "   A" and resid 63   and name  HN  ))
   (  segid "   A" and resid 64   and name  HD1#)
 assi 
   (( segid "   A" and resid 7    and name  HN  ))
   (( segid "   A" and resid 7    and name  HG12))

      3.311     0.336     0.336
 or 
   (( segid "   A" and resid 7    and name  HN  ))
   (  segid "   A" and resid 7    and name  HG2#)
 assi 
   (( segid "   A" and resid 85   and name  HN  ))
   (  segid "   A" and resid 87   and name  HD# )

      2.799     0.255     0.255
 assi 
   (( segid "   A" and resid 41   and name  HN  ))
   (  segid "   A" and resid 77   and name  HB# )

      4.230     0.463     0.463
 or 
   (( segid "   A" and resid 41   and name  HN  ))
   (( segid "   A" and resid 40   and name  HG  ))
 assi 
   (( segid "   A" and resid 42   and name  HN  ))
   (( segid "   A" and resid 75   and name  HB1 ))

      4.428     0.442     0.442
 or 
   (( segid "   A" and resid 42   and name  HN  ))
   (( segid "   A" and resid 44   and name  HB1 ))
 assi 
   (( segid "   A" and resid 48   and name  HN  ))
   (  segid "   A" and resid 46   and name  HD1#)

      3.559     0.279     0.279
 assi 
   (( segid "   A" and resid 89   and name  HN  ))
   (( segid "   A" and resid 89   and name  HA  ))

      2.230     0.259     0.259
 or 
   (( segid "   A" and resid 89   and name  HN  ))
   (( segid "   A" and resid 88   and name  HA  ))
 assi 
   (( segid "   A" and resid 87   and name  HN  ))
   (  segid "   A" and resid 87   and name  HD# )

      3.533     0.326     0.326
 assi 
   (( segid "   A" and resid 3    and name  HN  ))
   (  segid "   A" and resid 3    and name  HG# )

      4.211     0.674     0.674
 assi 
   (( segid "   A" and resid 80   and name  HN  ))
   (( segid "   A" and resid 92   and name  HG11))

      4.085     0.471     0.471
 or 
   (( segid "   A" and resid 80   and name  HN  ))
   (( segid "   A" and resid 89   and name  HG1 ))

assign (resid 45 and name N and segid B2WT ) (resid 45 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 75.7 14.3 104.3 14.3 ! excluded 0.682
assign (resid 49 and name N and segid B2WT ) (resid 49 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 73.2 16.8 106.8 16.8 ! excluded 0.626
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 45 and name N and segid B2WT ) (resid 45 and name HN and segid B2WT ) 71.5 18.5 108.5 18.5 ! excluded 0.589
assign (resid 70 and name N and segid B2WT ) (resid 70 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 71.4 18.6 108.6 18.6 ! excluded 0.587
assign (resid 45 and name N and segid B2WT ) (resid 45 and name HN and segid B2WT ) (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) 71.1 18.9 108.9 18.9 ! excluded 0.579
assign (resid 50 and name N and segid B2WT ) (resid 50 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 70.7 19.3 109.3 19.3 ! excluded 0.572
assign (resid 6 and name N and segid B2WT ) (resid 6 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 70.6 19.4 109.4 19.4 ! excluded 0.568
assign (resid 26 and name N and segid B2WT ) (resid 26 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 70.6 19.4 109.4 19.4 ! excluded 0.568
assign (resid 71 and name N and segid B2WT ) (resid 71 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 70.6 19.4 109.4 19.4 ! excluded 0.568
assign (resid 55 and name N and segid B2WT ) (resid 55 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 70.3 19.7 109.7 19.7 ! excluded 0.563
assign (resid 21 and name N and segid B2WT ) (resid 21 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 70.2 19.8 109.8 19.8 ! excluded 0.561
assign (resid 24 and name N and segid B2WT ) (resid 24 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 70.1 19.9 109.9 19.9 ! excluded 0.557
assign (resid 45 and name N and segid B2WT ) (resid 45 and name HN and segid B2WT ) (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) 69.9 20.1 110.1 20.1 ! excluded 0.554
assign (resid 16 and name N and segid B2WT ) (resid 16 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 69.5 20.5 110.5 20.5 ! excluded 0.544
assign (resid 28 and name N and segid B2WT ) (resid 28 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 69.5 20.5 110.5 20.5 ! excluded 0.544
assign (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) (resid 84 and name N and segid B2WT ) (resid 84 and name HN and segid B2WT ) 69.4 20.6 110.6 20.6 ! excluded 0.543
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 49 and name N and segid B2WT ) (resid 49 and name HN and segid B2WT ) 69.0 21.0 111.0 21.0 ! excluded 0.533
assign (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) (resid 91 and name N and segid B2WT ) (resid 91 and name HN and segid B2WT ) 68.9 21.1 111.1 21.1 ! excluded 0.532
assign (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) (resid 49 and name N and segid B2WT ) (resid 49 and name HN and segid B2WT ) 68.5 21.5 111.5 21.5 ! excluded 0.522
assign (resid 56 and name N and segid B2WT ) (resid 56 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 68.5 21.5 111.5 21.5 ! excluded 0.521
assign (resid 19 and name N and segid B2WT ) (resid 19 and name HN and segid B2WT ) (resid 45 and name N and segid B2WT ) (resid 45 and name HN and segid B2WT ) 68.2 21.8 111.8 21.8 ! excluded 0.516
assign (resid 30 and name N and segid B2WT ) (resid 30 and name HN and segid B2WT ) (resid 45 and name N and segid B2WT ) (resid 45 and name HN and segid B2WT ) 68.1 21.9 111.9 21.9 ! excluded 0.514
assign (resid 65 and name N and segid B2WT ) (resid 65 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 67.9 22.1 112.1 22.1 ! excluded 0.509
assign (resid 45 and name N and segid B2WT ) (resid 45 and name HN and segid B2WT ) (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) 67.7 22.3 112.3 22.3 ! excluded 0.504
assign (resid 10 and name N and segid B2WT ) (resid 10 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 67.6 22.4 112.4 22.4 ! excluded 0.502
assign (resid 67 and name N and segid B2WT ) (resid 67 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 67.6 22.4 112.4 22.4 ! excluded 0.502
assign (resid 49 and name N and segid B2WT ) (resid 49 and name HN and segid B2WT ) (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) 67.4 22.6 112.6 22.6 ! excluded 0.498
assign (resid 11 and name N and segid B2WT ) (resid 11 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 67.3 22.7 112.7 22.7 ! excluded 0.495
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 70 and name N and segid B2WT ) (resid 70 and name HN and segid B2WT ) 67.2 22.8 112.8 22.8 ! excluded 0.494
assign (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) (resid 76 and name N and segid B2WT ) (resid 76 and name HN and segid B2WT ) 67.0 23.0 113.0 23.0 ! excluded 0.490
assign (resid 69 and name N and segid B2WT ) (resid 69 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 66.9 23.1 113.1 23.1 ! excluded 0.487
assign (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) (resid 89 and name N and segid B2WT ) (resid 89 and name HN and segid B2WT ) 66.9 23.1 113.1 23.1 ! excluded 0.486
assign (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) 66.9 23.1 113.1 23.1 ! excluded 0.486
assign (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) (resid 70 and name N and segid B2WT ) (resid 70 and name HN and segid B2WT ) 66.8 23.2 113.2 23.2 ! excluded 0.484
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 50 and name N and segid B2WT ) (resid 50 and name HN and segid B2WT ) 66.5 23.5 113.5 23.5 ! excluded 0.478
assign (resid 41 and name N and segid B2WT ) (resid 41 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 66.5 23.5 113.5 23.5 ! excluded 0.478
assign (resid 6 and name N and segid B2WT ) (resid 6 and name HN and segid B2WT ) (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) 66.4 23.6 113.6 23.6 ! excluded 0.475
assign (resid 26 and name N and segid B2WT ) (resid 26 and name HN and segid B2WT ) (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) 66.4 23.6 113.6 23.6 ! excluded 0.475
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 71 and name N and segid B2WT ) (resid 71 and name HN and segid B2WT ) 66.4 23.6 113.6 23.6 ! excluded 0.475
assign (resid 42 and name N and segid B2WT ) (resid 42 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 66.2 23.8 113.8 23.8 ! excluded 0.472
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 55 and name N and segid B2WT ) (resid 55 and name HN and segid B2WT ) 66.1 23.9 113.9 23.9 ! excluded 0.469
assign (resid 45 and name N and segid B2WT ) (resid 45 and name HN and segid B2WT ) (resid 73 and name N and segid B2WT ) (resid 73 and name HN and segid B2WT ) 66.1 23.9 113.9 23.9 ! excluded 0.468
assign (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) (resid 50 and name N and segid B2WT ) (resid 50 and name HN and segid B2WT ) 66.1 23.9 113.9 23.9 ! excluded 0.468
assign (resid 21 and name N and segid B2WT ) (resid 21 and name HN and segid B2WT ) (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) 66.0 24.0 114.0 24.0 ! excluded 0.468
assign (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) (resid 98 and name N and segid B2WT ) (resid 98 and name HN and segid B2WT ) 66.0 24.0 114.0 24.0 ! excluded 0.467
assign (resid 17 and name N and segid B2WT ) (resid 17 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 65.9 24.1 114.1 24.1 ! excluded 0.465
assign (resid 6 and name N and segid B2WT ) (resid 6 and name HN and segid B2WT ) (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) 65.9 24.1 114.1 24.1 ! excluded 0.465
assign (resid 26 and name N and segid B2WT ) (resid 26 and name HN and segid B2WT ) (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) 65.9 24.1 114.1 24.1 ! excluded 0.465
assign (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) (resid 71 and name N and segid B2WT ) (resid 71 and name HN and segid B2WT ) 65.9 24.1 114.1 24.1 ! excluded 0.465
assign (resid 24 and name N and segid B2WT ) (resid 24 and name HN and segid B2WT ) (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) 65.9 24.1 114.1 24.1 ! excluded 0.464
assign (resid 68 and name N and segid B2WT ) (resid 68 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 65.9 24.1 114.1 24.1 ! excluded 0.463
assign (resid 44 and name N and segid B2WT ) (resid 44 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 65.7 24.3 114.3 24.3 ! excluded 0.461
assign (resid 19 and name N and segid B2WT ) (resid 19 and name HN and segid B2WT ) (resid 49 and name N and segid B2WT ) (resid 49 and name HN and segid B2WT ) 65.7 24.3 114.3 24.3 ! excluded 0.460
assign (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) (resid 55 and name N and segid B2WT ) (resid 55 and name HN and segid B2WT ) 65.7 24.3 114.3 24.3 ! excluded 0.459
assign (resid 70 and name N and segid B2WT ) (resid 70 and name HN and segid B2WT ) (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) 65.7 24.3 114.3 24.3 ! excluded 0.459
assign (resid 21 and name N and segid B2WT ) (resid 21 and name HN and segid B2WT ) (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) 65.6 24.4 114.4 24.4 ! excluded 0.458
assign (resid 30 and name N and segid B2WT ) (resid 30 and name HN and segid B2WT ) (resid 49 and name N and segid B2WT ) (resid 49 and name HN and segid B2WT ) 65.6 24.4 114.4 24.4 ! excluded 0.457
assign (resid 54 and name N and segid B2WT ) (resid 54 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 65.5 24.5 114.5 24.5 ! excluded 0.455
assign (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) (resid 78 and name N and segid B2WT ) (resid 78 and name HN and segid B2WT ) 65.5 24.5 114.5 24.5 ! excluded 0.455
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 32.9 24.5 147.1 24.5 ! excluded 0.455
assign (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 33.8 24.5 146.2 24.5 ! excluded 0.455
assign (resid 24 and name N and segid B2WT ) (resid 24 and name HN and segid B2WT ) (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) 65.4 24.6 114.6 24.6 ! excluded 0.454
assign (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) 36.1 24.6 143.9 24.6 ! excluded 0.454
assign (resid 19 and name N and segid B2WT ) (resid 19 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 39.6 24.7 140.4 24.7 ! excluded 0.452
assign (resid 30 and name N and segid B2WT ) (resid 30 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 39.9 24.7 140.1 24.7 ! excluded 0.452
assign (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) 40.7 24.7 139.3 24.7 ! excluded 0.451
assign (resid 16 and name N and segid B2WT ) (resid 16 and name HN and segid B2WT ) (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) 65.3 24.7 114.7 24.7 ! excluded 0.451
assign (resid 28 and name N and segid B2WT ) (resid 28 and name HN and segid B2WT ) (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) 65.3 24.7 114.7 24.7 ! excluded 0.451
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 84 and name N and segid B2WT ) (resid 84 and name HN and segid B2WT ) 65.2 24.8 114.8 24.8 ! excluded 0.449
assign (resid 73 and name N and segid B2WT ) (resid 73 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 44.0 24.8 136.0 24.8 ! excluded 0.449
assign (resid 25 and name N and segid B2WT ) (resid 25 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 65.2 24.8 114.8 24.8 ! excluded 0.449
assign (resid 3 and name N and segid B2WT ) (resid 3 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 45.9 24.8 134.1 24.8 ! excluded 0.448
assign (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) (resid 94 and name N and segid B2WT ) (resid 94 and name HN and segid B2WT ) 45.9 24.8 134.1 24.8 ! excluded 0.448
assign (resid 3 and name N and segid B2WT ) (resid 3 and name HN and segid B2WT ) (resid 45 and name N and segid B2WT ) (resid 45 and name HN and segid B2WT ) 65.2 24.8 114.8 24.8 ! excluded 0.448
assign (resid 45 and name N and segid B2WT ) (resid 45 and name HN and segid B2WT ) (resid 94 and name N and segid B2WT ) (resid 94 and name HN and segid B2WT ) 65.2 24.8 114.8 24.8 ! excluded 0.448
assign (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) (resid 81 and name N and segid B2WT ) (resid 81 and name HN and segid B2WT ) 46.4 24.8 133.6 24.8 ! excluded 0.448
assign (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) (resid 96 and name N and segid B2WT ) (resid 96 and name HN and segid B2WT ) 46.4 24.8 133.6 24.8 ! excluded 0.448
assign (resid 59 and name N and segid B2WT ) (resid 59 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 46.5 24.8 133.5 24.8 ! excluded 0.448
assign (resid 49 and name N and segid B2WT ) (resid 49 and name HN and segid B2WT ) (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) 65.1 24.9 114.9 24.9 ! excluded 0.448
assign (resid 38 and name N and segid B2WT ) (resid 38 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 47.0 24.9 133.0 24.9 ! excluded 0.448
assign (resid 58 and name N and segid B2WT ) (resid 58 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 65.1 24.9 114.9 24.9 ! excluded 0.447
assign (resid 40 and name N and segid B2WT ) (resid 40 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 48.4 24.9 131.6 24.9 ! excluded 0.447
assign (resid 12 and name N and segid B2WT ) (resid 12 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 49.5 24.9 130.5 24.9 ! excluded 0.446
assign (resid 35 and name N and segid B2WT ) (resid 35 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 49.6 24.9 130.4 24.9 ! excluded 0.446
assign (resid 39 and name N and segid B2WT ) (resid 39 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 50.0 25.0 130.0 25.0 ! excluded 0.445
assign (resid 51 and name N and segid B2WT ) (resid 51 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 65.0 25.0 115.0 25.0 ! excluded 0.445
assign (resid 52 and name N and segid B2WT ) (resid 52 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 65.0 25.0 115.0 25.0 ! excluded 0.445
assign (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) (resid 80 and name N and segid B2WT ) (resid 80 and name HN and segid B2WT ) 51.5 25.0 128.5 25.0 ! excluded 0.444
assign (resid 50 and name N and segid B2WT ) (resid 50 and name HN and segid B2WT ) (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) 65.0 25.0 115.0 25.0 ! excluded 0.444
assign (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) (resid 79 and name N and segid B2WT ) (resid 79 and name HN and segid B2WT ) 52.4 25.0 127.6 25.0 ! excluded 0.444
assign (resid 36 and name N and segid B2WT ) (resid 36 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 52.5 25.0 127.5 25.0 ! excluded 0.443
assign (resid 45 and name N and segid B2WT ) (resid 45 and name HN and segid B2WT ) (resid 81 and name N and segid B2WT ) (resid 81 and name HN and segid B2WT ) 64.9 25.1 115.1 25.1 ! excluded 0.443
assign (resid 45 and name N and segid B2WT ) (resid 45 and name HN and segid B2WT ) (resid 96 and name N and segid B2WT ) (resid 96 and name HN and segid B2WT ) 64.9 25.1 115.1 25.1 ! excluded 0.443
assign (resid 45 and name N and segid B2WT ) (resid 45 and name HN and segid B2WT ) (resid 59 and name N and segid B2WT ) (resid 59 and name HN and segid B2WT ) 64.9 25.1 115.1 25.1 ! excluded 0.442
assign (resid 16 and name N and segid B2WT ) (resid 16 and name HN and segid B2WT ) (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) 64.8 25.2 115.2 25.2 ! excluded 0.441
assign (resid 28 and name N and segid B2WT ) (resid 28 and name HN and segid B2WT ) (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) 64.8 25.2 115.2 25.2 ! excluded 0.441
assign (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) (resid 87 and name N and segid B2WT ) (resid 87 and name HN and segid B2WT ) 55.7 25.2 124.3 25.2 ! excluded 0.441
assign (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) (resid 99 and name N and segid B2WT ) (resid 99 and name HN and segid B2WT ) 55.9 25.2 124.1 25.2 ! excluded 0.440
assign (resid 6 and name N and segid B2WT ) (resid 6 and name HN and segid B2WT ) (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) 64.8 25.2 115.2 25.2 ! excluded 0.440
assign (resid 26 and name N and segid B2WT ) (resid 26 and name HN and segid B2WT ) (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) 64.8 25.2 115.2 25.2 ! excluded 0.440
assign (resid 71 and name N and segid B2WT ) (resid 71 and name HN and segid B2WT ) (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) 64.8 25.2 115.2 25.2 ! excluded 0.440
assign (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) (resid 84 and name N and segid B2WT ) (resid 84 and name HN and segid B2WT ) 64.8 25.2 115.2 25.2 ! excluded 0.439
assign (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) (resid 82 and name N and segid B2WT ) (resid 82 and name HN and segid B2WT ) 64.8 25.2 115.2 25.2 ! excluded 0.439
assign (resid 13 and name N and segid B2WT ) (resid 13 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 57.6 25.3 122.4 25.3 ! excluded 0.439
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 91 and name N and segid B2WT ) (resid 91 and name HN and segid B2WT ) 64.7 25.3 115.3 25.3 ! excluded 0.439
assign (resid 33 and name N and segid B2WT ) (resid 33 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 58.2 25.3 121.8 25.3 ! excluded 0.438
assign (resid 48 and name N and segid B2WT ) (resid 48 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 59.2 25.3 120.8 25.3 ! excluded 0.437
assign (resid 38 and name N and segid B2WT ) (resid 38 and name HN and segid B2WT ) (resid 45 and name N and segid B2WT ) (resid 45 and name HN and segid B2WT ) 64.6 25.4 115.4 25.4 ! excluded 0.436
assign (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) (resid 93 and name N and segid B2WT ) (resid 93 and name HN and segid B2WT ) 60.2 25.4 119.8 25.4 ! excluded 0.436
assign (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) (resid 92 and name N and segid B2WT ) (resid 92 and name HN and segid B2WT ) 60.7 25.4 119.3 25.4 ! excluded 0.435
assign (resid 18 and name N and segid B2WT ) (resid 18 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 60.9 25.4 119.1 25.4 ! excluded 0.435
assign (resid 55 and name N and segid B2WT ) (resid 55 and name HN and segid B2WT ) (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) 64.6 25.4 115.4 25.4 ! excluded 0.435
assign (resid 7 and name N and segid B2WT ) (resid 7 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 61.0 25.4 119.0 25.4 ! excluded 0.435
assign (resid 43 and name N and segid B2WT ) (resid 43 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 61.0 25.4 119.0 25.4 ! excluded 0.435
assign (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) (resid 83 and name N and segid B2WT ) (resid 83 and name HN and segid B2WT ) 61.0 25.4 119.0 25.4 ! excluded 0.435
assign (resid 22 and name N and segid B2WT ) (resid 22 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 61.5 25.5 118.5 25.5 ! excluded 0.434
assign (resid 9 and name N and segid B2WT ) (resid 9 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 61.9 25.5 118.1 25.5 ! excluded 0.433
assign (resid 21 and name N and segid B2WT ) (resid 21 and name HN and segid B2WT ) (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) 64.5 25.5 115.5 25.5 ! excluded 0.433
assign (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) (resid 86 and name N and segid B2WT ) (resid 86 and name HN and segid B2WT ) 63.0 25.6 117.0 25.6 ! excluded 0.432
assign (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) (resid 77 and name N and segid B2WT ) (resid 77 and name HN and segid B2WT ) 63.3 25.6 116.7 25.6 ! excluded 0.431
assign (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) (resid 97 and name N and segid B2WT ) (resid 97 and name HN and segid B2WT ) 63.4 25.6 116.6 25.6 ! excluded 0.431
assign (resid 64 and name N and segid B2WT ) (resid 64 and name HN and segid B2WT ) (resid 74 and name N and segid B2WT ) (resid 74 and name HN and segid B2WT ) 64.4 25.6 115.6 25.6 ! excluded 0.431
assign (resid 24 and name N and segid B2WT ) (resid 24 and name HN and segid B2WT ) (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) 64.3 25.7 115.7 25.7 ! excluded 0.430
assign (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) (resid 91 and name N and segid B2WT ) (resid 91 and name HN and segid B2WT ) 64.3 25.7 115.7 25.7 ! excluded 0.428
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 56 and name N and segid B2WT ) (resid 56 and name HN and segid B2WT ) 64.3 25.7 115.7 25.7 ! excluded 0.428
assign (resid 40 and name N and segid B2WT ) (resid 40 and name HN and segid B2WT ) (resid 45 and name N and segid B2WT ) (resid 45 and name HN and segid B2WT ) 64.0 26.0 116.0 26.0 ! excluded 0.422
assign (resid 19 and name N and segid B2WT ) (resid 19 and name HN and segid B2WT ) (resid 70 and name N and segid B2WT ) (resid 70 and name HN and segid B2WT ) 63.9 26.1 116.1 26.1 ! excluded 0.421
assign (resid 30 and name N and segid B2WT ) (resid 30 and name HN and segid B2WT ) (resid 70 and name N and segid B2WT ) (resid 70 and name HN and segid B2WT ) 63.8 26.2 116.2 26.2 ! excluded 0.418
assign (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) (resid 56 and name N and segid B2WT ) (resid 56 and name HN and segid B2WT ) 63.8 26.2 116.2 26.2 ! excluded 0.418
assign (resid 16 and name N and segid B2WT ) (resid 16 and name HN and segid B2WT ) (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) 63.7 26.3 116.3 26.3 ! excluded 0.416
assign (resid 28 and name N and segid B2WT ) (resid 28 and name HN and segid B2WT ) (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) 63.7 26.3 116.3 26.3 ! excluded 0.416
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 65 and name N and segid B2WT ) (resid 65 and name HN and segid B2WT ) 63.7 26.3 116.3 26.3 ! excluded 0.415
assign (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) (resid 84 and name N and segid B2WT ) (resid 84 and name HN and segid B2WT ) 63.7 26.3 116.3 26.3 ! excluded 0.415
assign (resid 49 and name N and segid B2WT ) (resid 49 and name HN and segid B2WT ) (resid 73 and name N and segid B2WT ) (resid 73 and name HN and segid B2WT ) 63.5 26.5 116.5 26.5 ! excluded 0.412
assign (resid 12 and name N and segid B2WT ) (resid 12 and name HN and segid B2WT ) (resid 45 and name N and segid B2WT ) (resid 45 and name HN and segid B2WT ) 63.4 26.6 116.6 26.6 ! excluded 0.410
assign (resid 70 and name N and segid B2WT ) (resid 70 and name HN and segid B2WT ) (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) 63.4 26.6 116.6 26.6 ! excluded 0.409
assign (resid 10 and name N and segid B2WT ) (resid 10 and name HN and segid B2WT ) (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) 63.4 26.6 116.6 26.6 ! excluded 0.409
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 67 and name N and segid B2WT ) (resid 67 and name HN and segid B2WT ) 63.4 26.6 116.6 26.6 ! excluded 0.409
assign (resid 35 and name N and segid B2WT ) (resid 35 and name HN and segid B2WT ) (resid 45 and name N and segid B2WT ) (resid 45 and name HN and segid B2WT ) 63.4 26.6 116.6 26.6 ! excluded 0.408
assign (resid 19 and name N and segid B2WT ) (resid 19 and name HN and segid B2WT ) (resid 50 and name N and segid B2WT ) (resid 50 and name HN and segid B2WT ) 63.3 26.7 116.7 26.7 ! excluded 0.406
assign (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) (resid 65 and name N and segid B2WT ) (resid 65 and name HN and segid B2WT ) 63.2 26.8 116.8 26.8 ! excluded 0.405
assign (resid 39 and name N and segid B2WT ) (resid 39 and name HN and segid B2WT ) (resid 45 and name N and segid B2WT ) (resid 45 and name HN and segid B2WT ) 63.2 26.8 116.8 26.8 ! excluded 0.404
assign (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) (resid 91 and name N and segid B2WT ) (resid 91 and name HN and segid B2WT ) 63.2 26.8 116.8 26.8 ! excluded 0.404
assign (resid 30 and name N and segid B2WT ) (resid 30 and name HN and segid B2WT ) (resid 50 and name N and segid B2WT ) (resid 50 and name HN and segid B2WT ) 63.1 26.9 116.9 26.9 ! excluded 0.403
assign (resid 6 and name N and segid B2WT ) (resid 6 and name HN and segid B2WT ) (resid 19 and name N and segid B2WT ) (resid 19 and name HN and segid B2WT ) 63.1 26.9 116.9 26.9 ! excluded 0.402
assign (resid 19 and name N and segid B2WT ) (resid 19 and name HN and segid B2WT ) (resid 26 and name N and segid B2WT ) (resid 26 and name HN and segid B2WT ) 63.1 26.9 116.9 26.9 ! excluded 0.402
assign (resid 19 and name N and segid B2WT ) (resid 19 and name HN and segid B2WT ) (resid 71 and name N and segid B2WT ) (resid 71 and name HN and segid B2WT ) 63.1 26.9 116.9 26.9 ! excluded 0.402
assign (resid 11 and name N and segid B2WT ) (resid 11 and name HN and segid B2WT ) (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) 63.1 26.9 116.9 26.9 ! excluded 0.402
assign (resid 6 and name N and segid B2WT ) (resid 6 and name HN and segid B2WT ) (resid 30 and name N and segid B2WT ) (resid 30 and name HN and segid B2WT ) 63.0 27.0 117.0 27.0 ! excluded 0.399
assign (resid 26 and name N and segid B2WT ) (resid 26 and name HN and segid B2WT ) (resid 30 and name N and segid B2WT ) (resid 30 and name HN and segid B2WT ) 63.0 27.0 117.0 27.0 ! excluded 0.399
assign (resid 30 and name N and segid B2WT ) (resid 30 and name HN and segid B2WT ) (resid 71 and name N and segid B2WT ) (resid 71 and name HN and segid B2WT ) 63.0 27.0 117.0 27.0 ! excluded 0.399
assign (resid 10 and name N and segid B2WT ) (resid 10 and name HN and segid B2WT ) (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) 62.9 27.1 117.1 27.1 ! excluded 0.398
assign (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) (resid 67 and name N and segid B2WT ) (resid 67 and name HN and segid B2WT ) 62.9 27.1 117.1 27.1 ! excluded 0.398
assign (resid 19 and name N and segid B2WT ) (resid 19 and name HN and segid B2WT ) (resid 55 and name N and segid B2WT ) (resid 55 and name HN and segid B2WT ) 62.8 27.2 117.2 27.2 ! excluded 0.397
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 76 and name N and segid B2WT ) (resid 76 and name HN and segid B2WT ) 62.8 27.2 117.2 27.2 ! excluded 0.397
assign (resid 19 and name N and segid B2WT ) (resid 19 and name HN and segid B2WT ) (resid 21 and name N and segid B2WT ) (resid 21 and name HN and segid B2WT ) 62.8 27.2 117.2 27.2 ! excluded 0.395
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 69 and name N and segid B2WT ) (resid 69 and name HN and segid B2WT ) 62.7 27.3 117.3 27.3 ! excluded 0.394
assign (resid 30 and name N and segid B2WT ) (resid 30 and name HN and segid B2WT ) (resid 55 and name N and segid B2WT ) (resid 55 and name HN and segid B2WT ) 62.7 27.3 117.3 27.3 ! excluded 0.394
assign (resid 50 and name N and segid B2WT ) (resid 50 and name HN and segid B2WT ) (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) 62.7 27.3 117.3 27.3 ! excluded 0.393
assign (resid 56 and name N and segid B2WT ) (resid 56 and name HN and segid B2WT ) (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) 62.7 27.3 117.3 27.3 ! excluded 0.393
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 89 and name N and segid B2WT ) (resid 89 and name HN and segid B2WT ) 62.7 27.3 117.3 27.3 ! excluded 0.393
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) 62.7 27.3 117.3 27.3 ! excluded 0.393
assign (resid 21 and name N and segid B2WT ) (resid 21 and name HN and segid B2WT ) (resid 30 and name N and segid B2WT ) (resid 30 and name HN and segid B2WT ) 62.6 27.4 117.4 27.4 ! excluded 0.392
assign (resid 11 and name N and segid B2WT ) (resid 11 and name HN and segid B2WT ) (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) 62.6 27.4 117.4 27.4 ! excluded 0.392
assign (resid 3 and name N and segid B2WT ) (resid 3 and name HN and segid B2WT ) (resid 49 and name N and segid B2WT ) (resid 49 and name HN and segid B2WT ) 62.6 27.4 117.4 27.4 ! excluded 0.392
assign (resid 49 and name N and segid B2WT ) (resid 49 and name HN and segid B2WT ) (resid 94 and name N and segid B2WT ) (resid 94 and name HN and segid B2WT ) 62.6 27.4 117.4 27.4 ! excluded 0.392
assign (resid 19 and name N and segid B2WT ) (resid 19 and name HN and segid B2WT ) (resid 24 and name N and segid B2WT ) (resid 24 and name HN and segid B2WT ) 62.6 27.4 117.4 27.4 ! excluded 0.391
assign (resid 6 and name N and segid B2WT ) (resid 6 and name HN and segid B2WT ) (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) 62.5 27.5 117.5 27.5 ! excluded 0.390
assign (resid 26 and name N and segid B2WT ) (resid 26 and name HN and segid B2WT ) (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) 62.5 27.5 117.5 27.5 ! excluded 0.390
assign (resid 71 and name N and segid B2WT ) (resid 71 and name HN and segid B2WT ) (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) 62.5 27.5 117.5 27.5 ! excluded 0.390
assign (resid 24 and name N and segid B2WT ) (resid 24 and name HN and segid B2WT ) (resid 30 and name N and segid B2WT ) (resid 30 and name HN and segid B2WT ) 62.5 27.5 117.5 27.5 ! excluded 0.389
assign (resid 45 and name N and segid B2WT ) (resid 45 and name HN and segid B2WT ) (resid 80 and name N and segid B2WT ) (resid 80 and name HN and segid B2WT ) 62.4 27.6 117.6 27.6 ! excluded 0.388
assign (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) (resid 76 and name N and segid B2WT ) (resid 76 and name HN and segid B2WT ) 62.4 27.6 117.6 27.6 ! excluded 0.386
assign (resid 49 and name N and segid B2WT ) (resid 49 and name HN and segid B2WT ) (resid 81 and name N and segid B2WT ) (resid 81 and name HN and segid B2WT ) 62.4 27.6 117.6 27.6 ! excluded 0.386
assign (resid 49 and name N and segid B2WT ) (resid 49 and name HN and segid B2WT ) (resid 96 and name N and segid B2WT ) (resid 96 and name HN and segid B2WT ) 62.4 27.6 117.6 27.6 ! excluded 0.386
assign (resid 49 and name N and segid B2WT ) (resid 49 and name HN and segid B2WT ) (resid 59 and name N and segid B2WT ) (resid 59 and name HN and segid B2WT ) 62.3 27.7 117.7 27.7 ! excluded 0.385
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 41 and name N and segid B2WT ) (resid 41 and name HN and segid B2WT ) 62.3 27.7 117.7 27.7 ! excluded 0.385
assign (resid 55 and name N and segid B2WT ) (resid 55 and name HN and segid B2WT ) (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) 62.3 27.7 117.7 27.7 ! excluded 0.385
assign (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) (resid 69 and name N and segid B2WT ) (resid 69 and name HN and segid B2WT ) 62.3 27.7 117.7 27.7 ! excluded 0.384
assign (resid 21 and name N and segid B2WT ) (resid 21 and name HN and segid B2WT ) (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) 62.2 27.8 117.8 27.8 ! excluded 0.383
assign (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) (resid 89 and name N and segid B2WT ) (resid 89 and name HN and segid B2WT ) 62.2 27.8 117.8 27.8 ! excluded 0.383
assign (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) 62.2 27.8 117.8 27.8 ! excluded 0.383
assign (resid 65 and name N and segid B2WT ) (resid 65 and name HN and segid B2WT ) (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) 62.1 27.9 117.9 27.9 ! excluded 0.381
assign (resid 38 and name N and segid B2WT ) (resid 38 and name HN and segid B2WT ) (resid 49 and name N and segid B2WT ) (resid 49 and name HN and segid B2WT ) 62.1 27.9 117.9 27.9 ! excluded 0.380
assign (resid 24 and name N and segid B2WT ) (resid 24 and name HN and segid B2WT ) (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) 62.1 27.9 117.9 27.9 ! excluded 0.379
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 42 and name N and segid B2WT ) (resid 42 and name HN and segid B2WT ) 62.0 28.0 118.0 28.0 ! excluded 0.379
assign (resid 45 and name N and segid B2WT ) (resid 45 and name HN and segid B2WT ) (resid 79 and name N and segid B2WT ) (resid 79 and name HN and segid B2WT ) 62.0 28.0 118.0 28.0 ! excluded 0.378
assign (resid 16 and name N and segid B2WT ) (resid 16 and name HN and segid B2WT ) (resid 19 and name N and segid B2WT ) (resid 19 and name HN and segid B2WT ) 62.0 28.0 118.0 28.0 ! excluded 0.378
assign (resid 19 and name N and segid B2WT ) (resid 19 and name HN and segid B2WT ) (resid 28 and name N and segid B2WT ) (resid 28 and name HN and segid B2WT ) 62.0 28.0 118.0 28.0 ! excluded 0.378
assign (resid 36 and name N and segid B2WT ) (resid 36 and name HN and segid B2WT ) (resid 45 and name N and segid B2WT ) (resid 45 and name HN and segid B2WT ) 62.0 28.0 118.0 28.0 ! excluded 0.377
assign (resid 19 and name N and segid B2WT ) (resid 19 and name HN and segid B2WT ) (resid 84 and name N and segid B2WT ) (resid 84 and name HN and segid B2WT ) 62.0 28.0 118.0 28.0 ! excluded 0.377
assign (resid 16 and name N and segid B2WT ) (resid 16 and name HN and segid B2WT ) (resid 30 and name N and segid B2WT ) (resid 30 and name HN and segid B2WT ) 61.9 28.1 118.1 28.1 ! excluded 0.375
assign (resid 28 and name N and segid B2WT ) (resid 28 and name HN and segid B2WT ) (resid 30 and name N and segid B2WT ) (resid 30 and name HN and segid B2WT ) 61.9 28.1 118.1 28.1 ! excluded 0.375
assign (resid 41 and name N and segid B2WT ) (resid 41 and name HN and segid B2WT ) (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) 61.9 28.1 118.1 28.1 ! excluded 0.375
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 98 and name N and segid B2WT ) (resid 98 and name HN and segid B2WT ) 61.8 28.2 118.2 28.2 ! excluded 0.374
assign (resid 30 and name N and segid B2WT ) (resid 30 and name HN and segid B2WT ) (resid 84 and name N and segid B2WT ) (resid 84 and name HN and segid B2WT ) 61.8 28.2 118.2 28.2 ! excluded 0.374
assign (resid 10 and name N and segid B2WT ) (resid 10 and name HN and segid B2WT ) (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) 61.8 28.2 118.2 28.2 ! excluded 0.374
assign (resid 67 and name N and segid B2WT ) (resid 67 and name HN and segid B2WT ) (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) 61.8 28.2 118.2 28.2 ! excluded 0.374
assign (resid 70 and name N and segid B2WT ) (resid 70 and name HN and segid B2WT ) (resid 73 and name N and segid B2WT ) (resid 73 and name HN and segid B2WT ) 61.8 28.2 118.2 28.2 ! excluded 0.373
assign (resid 17 and name N and segid B2WT ) (resid 17 and name HN and segid B2WT ) (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) 61.7 28.3 118.3 28.3 ! excluded 0.372
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 68 and name N and segid B2WT ) (resid 68 and name HN and segid B2WT ) 61.7 28.3 118.3 28.3 ! excluded 0.370
assign (resid 42 and name N and segid B2WT ) (resid 42 and name HN and segid B2WT ) (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) 61.6 28.4 118.4 28.4 ! excluded 0.369
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 44 and name N and segid B2WT ) (resid 44 and name HN and segid B2WT ) 61.6 28.4 118.4 28.4 ! excluded 0.368
assign (resid 11 and name N and segid B2WT ) (resid 11 and name HN and segid B2WT ) (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) 61.5 28.5 118.5 28.5 ! excluded 0.367
assign (resid 16 and name N and segid B2WT ) (resid 16 and name HN and segid B2WT ) (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) 61.5 28.5 118.5 28.5 ! excluded 0.366
assign (resid 28 and name N and segid B2WT ) (resid 28 and name HN and segid B2WT ) (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) 61.5 28.5 118.5 28.5 ! excluded 0.366
assign (resid 19 and name N and segid B2WT ) (resid 19 and name HN and segid B2WT ) (resid 91 and name N and segid B2WT ) (resid 91 and name HN and segid B2WT ) 61.5 28.5 118.5 28.5 ! excluded 0.366
assign (resid 40 and name N and segid B2WT ) (resid 40 and name HN and segid B2WT ) (resid 49 and name N and segid B2WT ) (resid 49 and name HN and segid B2WT ) 61.4 28.6 118.6 28.6 ! excluded 0.365
assign (resid 84 and name N and segid B2WT ) (resid 84 and name HN and segid B2WT ) (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) 61.4 28.6 118.6 28.6 ! excluded 0.365
assign (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) (resid 98 and name N and segid B2WT ) (resid 98 and name HN and segid B2WT ) 61.4 28.6 118.6 28.6 ! excluded 0.364
assign (resid 30 and name N and segid B2WT ) (resid 30 and name HN and segid B2WT ) (resid 91 and name N and segid B2WT ) (resid 91 and name HN and segid B2WT ) 61.3 28.7 118.7 28.7 ! excluded 0.363
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 54 and name N and segid B2WT ) (resid 54 and name HN and segid B2WT ) 61.3 28.7 118.7 28.7 ! excluded 0.362
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 78 and name N and segid B2WT ) (resid 78 and name HN and segid B2WT ) 61.3 28.7 118.7 28.7 ! excluded 0.362
assign (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) (resid 76 and name N and segid B2WT ) (resid 76 and name HN and segid B2WT ) 61.3 28.7 118.7 28.7 ! excluded 0.362
assign (resid 17 and name N and segid B2WT ) (resid 17 and name HN and segid B2WT ) (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) 61.3 28.7 118.7 28.7 ! excluded 0.361
assign (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) (resid 68 and name N and segid B2WT ) (resid 68 and name HN and segid B2WT ) 61.2 28.8 118.8 28.8 ! excluded 0.360
assign (resid 69 and name N and segid B2WT ) (resid 69 and name HN and segid B2WT ) (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) 61.2 28.8 118.8 28.8 ! excluded 0.359
assign (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) (resid 89 and name N and segid B2WT ) (resid 89 and name HN and segid B2WT ) 61.1 28.9 118.9 28.9 ! excluded 0.358
assign (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) 61.1 28.9 118.9 28.9 ! excluded 0.358
assign (resid 44 and name N and segid B2WT ) (resid 44 and name HN and segid B2WT ) (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) 61.1 28.9 118.9 28.9 ! excluded 0.358
assign (resid 50 and name N and segid B2WT ) (resid 50 and name HN and segid B2WT ) (resid 73 and name N and segid B2WT ) (resid 73 and name HN and segid B2WT ) 61.1 28.9 118.9 28.9 ! excluded 0.358
assign (resid 25 and name N and segid B2WT ) (resid 25 and name HN and segid B2WT ) (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) 61.0 29.0 119.0 29.0 ! excluded 0.356
assign (resid 19 and name N and segid B2WT ) (resid 19 and name HN and segid B2WT ) (resid 56 and name N and segid B2WT ) (resid 56 and name HN and segid B2WT ) 61.0 29.0 119.0 29.0 ! excluded 0.355
assign (resid 6 and name N and segid B2WT ) (resid 6 and name HN and segid B2WT ) (resid 73 and name N and segid B2WT ) (resid 73 and name HN and segid B2WT ) 60.9 29.1 119.1 29.1 ! excluded 0.354
assign (resid 26 and name N and segid B2WT ) (resid 26 and name HN and segid B2WT ) (resid 73 and name N and segid B2WT ) (resid 73 and name HN and segid B2WT ) 60.9 29.1 119.1 29.1 ! excluded 0.354
assign (resid 71 and name N and segid B2WT ) (resid 71 and name HN and segid B2WT ) (resid 73 and name N and segid B2WT ) (resid 73 and name HN and segid B2WT ) 60.9 29.1 119.1 29.1 ! excluded 0.354
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 58 and name N and segid B2WT ) (resid 58 and name HN and segid B2WT ) 60.9 29.1 119.1 29.1 ! excluded 0.354
assign (resid 91 and name N and segid B2WT ) (resid 91 and name HN and segid B2WT ) (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) 60.9 29.1 119.1 29.1 ! excluded 0.354
assign (resid 12 and name N and segid B2WT ) (resid 12 and name HN and segid B2WT ) (resid 49 and name N and segid B2WT ) (resid 49 and name HN and segid B2WT ) 60.9 29.1 119.1 29.1 ! excluded 0.353
assign (resid 3 and name N and segid B2WT ) (resid 3 and name HN and segid B2WT ) (resid 70 and name N and segid B2WT ) (resid 70 and name HN and segid B2WT ) 60.9 29.1 119.1 29.1 ! excluded 0.353
assign (resid 70 and name N and segid B2WT ) (resid 70 and name HN and segid B2WT ) (resid 94 and name N and segid B2WT ) (resid 94 and name HN and segid B2WT ) 60.9 29.1 119.1 29.1 ! excluded 0.353
assign (resid 30 and name N and segid B2WT ) (resid 30 and name HN and segid B2WT ) (resid 56 and name N and segid B2WT ) (resid 56 and name HN and segid B2WT ) 60.9 29.1 119.1 29.1 ! excluded 0.353
assign (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) (resid 54 and name N and segid B2WT ) (resid 54 and name HN and segid B2WT ) 60.8 29.2 119.2 29.2 ! excluded 0.352
assign (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) (resid 78 and name N and segid B2WT ) (resid 78 and name HN and segid B2WT ) 60.8 29.2 119.2 29.2 ! excluded 0.352
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 51 and name N and segid B2WT ) (resid 51 and name HN and segid B2WT ) 60.8 29.2 119.2 29.2 ! excluded 0.352
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 52 and name N and segid B2WT ) (resid 52 and name HN and segid B2WT ) 60.8 29.2 119.2 29.2 ! excluded 0.352
assign (resid 35 and name N and segid B2WT ) (resid 35 and name HN and segid B2WT ) (resid 49 and name N and segid B2WT ) (resid 49 and name HN and segid B2WT ) 60.8 29.2 119.2 29.2 ! excluded 0.351
assign (resid 41 and name N and segid B2WT ) (resid 41 and name HN and segid B2WT ) (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) 60.8 29.2 119.2 29.2 ! excluded 0.350
assign (resid 55 and name N and segid B2WT ) (resid 55 and name HN and segid B2WT ) (resid 73 and name N and segid B2WT ) (resid 73 and name HN and segid B2WT ) 60.7 29.3 119.3 29.3 ! excluded 0.349
assign (resid 39 and name N and segid B2WT ) (resid 39 and name HN and segid B2WT ) (resid 49 and name N and segid B2WT ) (resid 49 and name HN and segid B2WT ) 60.6 29.4 119.4 29.4 ! excluded 0.348
assign (resid 70 and name N and segid B2WT ) (resid 70 and name HN and segid B2WT ) (resid 81 and name N and segid B2WT ) (resid 81 and name HN and segid B2WT ) 60.6 29.4 119.4 29.4 ! excluded 0.347
assign (resid 70 and name N and segid B2WT ) (resid 70 and name HN and segid B2WT ) (resid 96 and name N and segid B2WT ) (resid 96 and name HN and segid B2WT ) 60.6 29.4 119.4 29.4 ! excluded 0.347
assign (resid 21 and name N and segid B2WT ) (resid 21 and name HN and segid B2WT ) (resid 73 and name N and segid B2WT ) (resid 73 and name HN and segid B2WT ) 60.6 29.4 119.4 29.4 ! excluded 0.347
assign (resid 59 and name N and segid B2WT ) (resid 59 and name HN and segid B2WT ) (resid 70 and name N and segid B2WT ) (resid 70 and name HN and segid B2WT ) 60.6 29.4 119.4 29.4 ! excluded 0.346
assign (resid 25 and name N and segid B2WT ) (resid 25 and name HN and segid B2WT ) (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) 60.6 29.4 119.4 29.4 ! excluded 0.346
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 82 and name N and segid B2WT ) (resid 82 and name HN and segid B2WT ) 60.6 29.4 119.4 29.4 ! excluded 0.346
assign (resid 42 and name N and segid B2WT ) (resid 42 and name HN and segid B2WT ) (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) 60.5 29.5 119.5 29.5 ! excluded 0.344
assign (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) (resid 58 and name N and segid B2WT ) (resid 58 and name HN and segid B2WT ) 60.5 29.5 119.5 29.5 ! excluded 0.344
assign (resid 24 and name N and segid B2WT ) (resid 24 and name HN and segid B2WT ) (resid 73 and name N and segid B2WT ) (resid 73 and name HN and segid B2WT ) 60.5 29.5 119.5 29.5 ! excluded 0.343
assign (resid 45 and name N and segid B2WT ) (resid 45 and name HN and segid B2WT ) (resid 87 and name N and segid B2WT ) (resid 87 and name HN and segid B2WT ) 60.4 29.6 119.6 29.6 ! excluded 0.343
assign (resid 56 and name N and segid B2WT ) (resid 56 and name HN and segid B2WT ) (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) 60.4 29.6 119.6 29.6 ! excluded 0.343
assign (resid 19 and name N and segid B2WT ) (resid 19 and name HN and segid B2WT ) (resid 65 and name N and segid B2WT ) (resid 65 and name HN and segid B2WT ) 60.4 29.6 119.6 29.6 ! excluded 0.343
assign (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) (resid 51 and name N and segid B2WT ) (resid 51 and name HN and segid B2WT ) 60.4 29.6 119.6 29.6 ! excluded 0.341
assign (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) (resid 52 and name N and segid B2WT ) (resid 52 and name HN and segid B2WT ) 60.4 29.6 119.6 29.6 ! excluded 0.341
assign (resid 45 and name N and segid B2WT ) (resid 45 and name HN and segid B2WT ) (resid 99 and name N and segid B2WT ) (resid 99 and name HN and segid B2WT ) 60.4 29.6 119.6 29.6 ! excluded 0.341
assign (resid 38 and name N and segid B2WT ) (resid 38 and name HN and segid B2WT ) (resid 70 and name N and segid B2WT ) (resid 70 and name HN and segid B2WT ) 60.3 29.7 119.7 29.7 ! excluded 0.341
assign (resid 30 and name N and segid B2WT ) (resid 30 and name HN and segid B2WT ) (resid 65 and name N and segid B2WT ) (resid 65 and name HN and segid B2WT ) 60.3 29.7 119.7 29.7 ! excluded 0.340
assign (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) (resid 98 and name N and segid B2WT ) (resid 98 and name HN and segid B2WT ) 60.3 29.7 119.7 29.7 ! excluded 0.339
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 64 and name N and segid B2WT ) (resid 64 and name HN and segid B2WT ) 60.2 29.8 119.8 29.8 ! excluded 0.338
assign (resid 3 and name N and segid B2WT ) (resid 3 and name HN and segid B2WT ) (resid 50 and name N and segid B2WT ) (resid 50 and name HN and segid B2WT ) 60.2 29.8 119.8 29.8 ! excluded 0.337
assign (resid 50 and name N and segid B2WT ) (resid 50 and name HN and segid B2WT ) (resid 94 and name N and segid B2WT ) (resid 94 and name HN and segid B2WT ) 60.2 29.8 119.8 29.8 ! excluded 0.337
assign (resid 17 and name N and segid B2WT ) (resid 17 and name HN and segid B2WT ) (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) 60.2 29.8 119.8 29.8 ! excluded 0.337
assign (resid 10 and name N and segid B2WT ) (resid 10 and name HN and segid B2WT ) (resid 19 and name N and segid B2WT ) (resid 19 and name HN and segid B2WT ) 60.1 29.9 119.9 29.9 ! excluded 0.336
assign (resid 19 and name N and segid B2WT ) (resid 19 and name HN and segid B2WT ) (resid 67 and name N and segid B2WT ) (resid 67 and name HN and segid B2WT ) 60.1 29.9 119.9 29.9 ! excluded 0.336
assign (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) (resid 82 and name N and segid B2WT ) (resid 82 and name HN and segid B2WT ) 60.1 29.9 119.9 29.9 ! excluded 0.336
assign (resid 68 and name N and segid B2WT ) (resid 68 and name HN and segid B2WT ) (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) 60.1 29.9 119.9 29.9 ! excluded 0.336
assign (resid 3 and name N and segid B2WT ) (resid 3 and name HN and segid B2WT ) (resid 6 and name N and segid B2WT ) (resid 6 and name HN and segid B2WT ) 60.0 30.0 120.0 30.0 ! excluded 0.334
assign (resid 3 and name N and segid B2WT ) (resid 3 and name HN and segid B2WT ) (resid 26 and name N and segid B2WT ) (resid 26 and name HN and segid B2WT ) 60.0 30.0 120.0 30.0 ! excluded 0.334
assign (resid 3 and name N and segid B2WT ) (resid 3 and name HN and segid B2WT ) (resid 71 and name N and segid B2WT ) (resid 71 and name HN and segid B2WT ) 60.0 30.0 120.0 30.0 ! excluded 0.334
assign (resid 6 and name N and segid B2WT ) (resid 6 and name HN and segid B2WT ) (resid 94 and name N and segid B2WT ) (resid 94 and name HN and segid B2WT ) 60.0 30.0 120.0 30.0 ! excluded 0.334
assign (resid 26 and name N and segid B2WT ) (resid 26 and name HN and segid B2WT ) (resid 94 and name N and segid B2WT ) (resid 94 and name HN and segid B2WT ) 60.0 30.0 120.0 30.0 ! excluded 0.334
assign (resid 71 and name N and segid B2WT ) (resid 71 and name HN and segid B2WT ) (resid 94 and name N and segid B2WT ) (resid 94 and name HN and segid B2WT ) 60.0 30.0 120.0 30.0 ! excluded 0.334
assign (resid 44 and name N and segid B2WT ) (resid 44 and name HN and segid B2WT ) (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) 60.0 30.0 120.0 30.0 ! excluded 0.333
assign (resid 10 and name N and segid B2WT ) (resid 10 and name HN and segid B2WT ) (resid 30 and name N and segid B2WT ) (resid 30 and name HN and segid B2WT ) 60.0 30.0 120.0 30.0 ! excluded 0.333
assign (resid 30 and name N and segid B2WT ) (resid 30 and name HN and segid B2WT ) (resid 67 and name N and segid B2WT ) (resid 67 and name HN and segid B2WT ) 60.0 30.0 120.0 30.0 ! excluded 0.333
assign (resid 50 and name N and segid B2WT ) (resid 50 and name HN and segid B2WT ) (resid 81 and name N and segid B2WT ) (resid 81 and name HN and segid B2WT ) 59.9 30.1 120.1 30.1 ! excluded 0.332
assign (resid 50 and name N and segid B2WT ) (resid 50 and name HN and segid B2WT ) (resid 96 and name N and segid B2WT ) (resid 96 and name HN and segid B2WT ) 59.9 30.1 120.1 30.1 ! excluded 0.332
assign (resid 50 and name N and segid B2WT ) (resid 50 and name HN and segid B2WT ) (resid 59 and name N and segid B2WT ) (resid 59 and name HN and segid B2WT ) 59.9 30.1 120.1 30.1 ! excluded 0.331
assign (resid 49 and name N and segid B2WT ) (resid 49 and name HN and segid B2WT ) (resid 80 and name N and segid B2WT ) (resid 80 and name HN and segid B2WT ) 59.9 30.1 120.1 30.1 ! excluded 0.331
assign (resid 65 and name N and segid B2WT ) (resid 65 and name HN and segid B2WT ) (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) 59.9 30.1 120.1 30.1 ! excluded 0.331
assign (resid 16 and name N and segid B2WT ) (resid 16 and name HN and segid B2WT ) (resid 73 and name N and segid B2WT ) (resid 73 and name HN and segid B2WT ) 59.9 30.1 120.1 30.1 ! excluded 0.330
assign (resid 28 and name N and segid B2WT ) (resid 28 and name HN and segid B2WT ) (resid 73 and name N and segid B2WT ) (resid 73 and name HN and segid B2WT ) 59.9 30.1 120.1 30.1 ! excluded 0.330
assign (resid 11 and name N and segid B2WT ) (resid 11 and name HN and segid B2WT ) (resid 19 and name N and segid B2WT ) (resid 19 and name HN and segid B2WT ) 59.8 30.2 120.2 30.2 ! excluded 0.329
assign (resid 73 and name N and segid B2WT ) (resid 73 and name HN and segid B2WT ) (resid 84 and name N and segid B2WT ) (resid 84 and name HN and segid B2WT ) 59.8 30.2 120.2 30.2 ! excluded 0.329
assign (resid 3 and name N and segid B2WT ) (resid 3 and name HN and segid B2WT ) (resid 55 and name N and segid B2WT ) (resid 55 and name HN and segid B2WT ) 59.8 30.2 120.2 30.2 ! excluded 0.329
assign (resid 55 and name N and segid B2WT ) (resid 55 and name HN and segid B2WT ) (resid 94 and name N and segid B2WT ) (resid 94 and name HN and segid B2WT ) 59.8 30.2 120.2 30.2 ! excluded 0.329
assign (resid 6 and name N and segid B2WT ) (resid 6 and name HN and segid B2WT ) (resid 81 and name N and segid B2WT ) (resid 81 and name HN and segid B2WT ) 59.8 30.2 120.2 30.2 ! excluded 0.328
assign (resid 6 and name N and segid B2WT ) (resid 6 and name HN and segid B2WT ) (resid 96 and name N and segid B2WT ) (resid 96 and name HN and segid B2WT ) 59.8 30.2 120.2 30.2 ! excluded 0.328
assign (resid 26 and name N and segid B2WT ) (resid 26 and name HN and segid B2WT ) (resid 81 and name N and segid B2WT ) (resid 81 and name HN and segid B2WT ) 59.8 30.2 120.2 30.2 ! excluded 0.328
assign (resid 26 and name N and segid B2WT ) (resid 26 and name HN and segid B2WT ) (resid 96 and name N and segid B2WT ) (resid 96 and name HN and segid B2WT ) 59.8 30.2 120.2 30.2 ! excluded 0.328
assign (resid 71 and name N and segid B2WT ) (resid 71 and name HN and segid B2WT ) (resid 81 and name N and segid B2WT ) (resid 81 and name HN and segid B2WT ) 59.8 30.2 120.2 30.2 ! excluded 0.328
assign (resid 71 and name N and segid B2WT ) (resid 71 and name HN and segid B2WT ) (resid 96 and name N and segid B2WT ) (resid 96 and name HN and segid B2WT ) 59.8 30.2 120.2 30.2 ! excluded 0.328
assign (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) (resid 64 and name N and segid B2WT ) (resid 64 and name HN and segid B2WT ) 59.8 30.2 120.2 30.2 ! excluded 0.328
assign (resid 6 and name N and segid B2WT ) (resid 6 and name HN and segid B2WT ) (resid 59 and name N and segid B2WT ) (resid 59 and name HN and segid B2WT ) 59.7 30.3 120.3 30.3 ! excluded 0.327
assign (resid 26 and name N and segid B2WT ) (resid 26 and name HN and segid B2WT ) (resid 59 and name N and segid B2WT ) (resid 59 and name HN and segid B2WT ) 59.7 30.3 120.3 30.3 ! excluded 0.327
assign (resid 59 and name N and segid B2WT ) (resid 59 and name HN and segid B2WT ) (resid 71 and name N and segid B2WT ) (resid 71 and name HN and segid B2WT ) 59.7 30.3 120.3 30.3 ! excluded 0.327
assign (resid 54 and name N and segid B2WT ) (resid 54 and name HN and segid B2WT ) (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) 59.7 30.3 120.3 30.3 ! excluded 0.327
assign (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) (resid 78 and name N and segid B2WT ) (resid 78 and name HN and segid B2WT ) 59.7 30.3 120.3 30.3 ! excluded 0.327
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 97 and name N and segid B2WT ) (resid 97 and name HN and segid B2WT ) 59.7 30.3 120.3 30.3 ! excluded 0.327
assign (resid 3 and name N and segid B2WT ) (resid 3 and name HN and segid B2WT ) (resid 21 and name N and segid B2WT ) (resid 21 and name HN and segid B2WT ) 59.7 30.3 120.3 30.3 ! excluded 0.327
assign (resid 21 and name N and segid B2WT ) (resid 21 and name HN and segid B2WT ) (resid 94 and name N and segid B2WT ) (resid 94 and name HN and segid B2WT ) 59.7 30.3 120.3 30.3 ! excluded 0.327
assign (resid 40 and name N and segid B2WT ) (resid 40 and name HN and segid B2WT ) (resid 70 and name N and segid B2WT ) (resid 70 and name HN and segid B2WT ) 59.7 30.3 120.3 30.3 ! excluded 0.326
assign (resid 11 and name N and segid B2WT ) (resid 11 and name HN and segid B2WT ) (resid 30 and name N and segid B2WT ) (resid 30 and name HN and segid B2WT ) 59.7 30.3 120.3 30.3 ! excluded 0.326
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 77 and name N and segid B2WT ) (resid 77 and name HN and segid B2WT ) 59.7 30.3 120.3 30.3 ! excluded 0.326
assign (resid 38 and name N and segid B2WT ) (resid 38 and name HN and segid B2WT ) (resid 50 and name N and segid B2WT ) (resid 50 and name HN and segid B2WT ) 59.7 30.3 120.3 30.3 ! excluded 0.326
assign (resid 19 and name N and segid B2WT ) (resid 19 and name HN and segid B2WT ) (resid 76 and name N and segid B2WT ) (resid 76 and name HN and segid B2WT ) 59.6 30.4 120.4 30.4 ! excluded 0.324
assign (resid 10 and name N and segid B2WT ) (resid 10 and name HN and segid B2WT ) (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) 59.6 30.4 120.4 30.4 ! excluded 0.324
assign (resid 67 and name N and segid B2WT ) (resid 67 and name HN and segid B2WT ) (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) 59.6 30.4 120.4 30.4 ! excluded 0.324
assign (resid 3 and name N and segid B2WT ) (resid 3 and name HN and segid B2WT ) (resid 24 and name N and segid B2WT ) (resid 24 and name HN and segid B2WT ) 59.6 30.4 120.4 30.4 ! excluded 0.323
assign (resid 24 and name N and segid B2WT ) (resid 24 and name HN and segid B2WT ) (resid 94 and name N and segid B2WT ) (resid 94 and name HN and segid B2WT ) 59.6 30.4 120.4 30.4 ! excluded 0.323
assign (resid 55 and name N and segid B2WT ) (resid 55 and name HN and segid B2WT ) (resid 81 and name N and segid B2WT ) (resid 81 and name HN and segid B2WT ) 59.5 30.5 120.5 30.5 ! excluded 0.323
assign (resid 55 and name N and segid B2WT ) (resid 55 and name HN and segid B2WT ) (resid 96 and name N and segid B2WT ) (resid 96 and name HN and segid B2WT ) 59.5 30.5 120.5 30.5 ! excluded 0.323
assign (resid 13 and name N and segid B2WT ) (resid 13 and name HN and segid B2WT ) (resid 45 and name N and segid B2WT ) (resid 45 and name HN and segid B2WT ) 59.5 30.5 120.5 30.5 ! excluded 0.323
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 86 and name N and segid B2WT ) (resid 86 and name HN and segid B2WT ) 59.5 30.5 120.5 30.5 ! excluded 0.323
assign (resid 55 and name N and segid B2WT ) (resid 55 and name HN and segid B2WT ) (resid 59 and name N and segid B2WT ) (resid 59 and name HN and segid B2WT ) 59.5 30.5 120.5 30.5 ! excluded 0.322
assign (resid 6 and name N and segid B2WT ) (resid 6 and name HN and segid B2WT ) (resid 38 and name N and segid B2WT ) (resid 38 and name HN and segid B2WT ) 59.5 30.5 120.5 30.5 ! excluded 0.322
assign (resid 26 and name N and segid B2WT ) (resid 26 and name HN and segid B2WT ) (resid 38 and name N and segid B2WT ) (resid 38 and name HN and segid B2WT ) 59.5 30.5 120.5 30.5 ! excluded 0.322
assign (resid 38 and name N and segid B2WT ) (resid 38 and name HN and segid B2WT ) (resid 71 and name N and segid B2WT ) (resid 71 and name HN and segid B2WT ) 59.5 30.5 120.5 30.5 ! excluded 0.322
assign (resid 49 and name N and segid B2WT ) (resid 49 and name HN and segid B2WT ) (resid 79 and name N and segid B2WT ) (resid 79 and name HN and segid B2WT ) 59.5 30.5 120.5 30.5 ! excluded 0.322
assign (resid 25 and name N and segid B2WT ) (resid 25 and name HN and segid B2WT ) (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) 59.5 30.5 120.5 30.5 ! excluded 0.321
assign (resid 21 and name N and segid B2WT ) (resid 21 and name HN and segid B2WT ) (resid 81 and name N and segid B2WT ) (resid 81 and name HN and segid B2WT ) 59.5 30.5 120.5 30.5 ! excluded 0.321
assign (resid 21 and name N and segid B2WT ) (resid 21 and name HN and segid B2WT ) (resid 96 and name N and segid B2WT ) (resid 96 and name HN and segid B2WT ) 59.5 30.5 120.5 30.5 ! excluded 0.321
assign (resid 19 and name N and segid B2WT ) (resid 19 and name HN and segid B2WT ) (resid 69 and name N and segid B2WT ) (resid 69 and name HN and segid B2WT ) 59.5 30.5 120.5 30.5 ! excluded 0.321
assign (resid 30 and name N and segid B2WT ) (resid 30 and name HN and segid B2WT ) (resid 76 and name N and segid B2WT ) (resid 76 and name HN and segid B2WT ) 59.4 30.6 120.6 30.6 ! excluded 0.321
assign (resid 36 and name N and segid B2WT ) (resid 36 and name HN and segid B2WT ) (resid 49 and name N and segid B2WT ) (resid 49 and name HN and segid B2WT ) 59.4 30.6 120.6 30.6 ! excluded 0.321
assign (resid 21 and name N and segid B2WT ) (resid 21 and name HN and segid B2WT ) (resid 59 and name N and segid B2WT ) (resid 59 and name HN and segid B2WT ) 59.4 30.6 120.6 30.6 ! excluded 0.320
assign (resid 19 and name N and segid B2WT ) (resid 19 and name HN and segid B2WT ) (resid 89 and name N and segid B2WT ) (resid 89 and name HN and segid B2WT ) 59.4 30.6 120.6 30.6 ! excluded 0.320
assign (resid 19 and name N and segid B2WT ) (resid 19 and name HN and segid B2WT ) (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) 59.4 30.6 120.6 30.6 ! excluded 0.320
assign (resid 58 and name N and segid B2WT ) (resid 58 and name HN and segid B2WT ) (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) 59.4 30.6 120.6 30.6 ! excluded 0.319
assign (resid 30 and name N and segid B2WT ) (resid 30 and name HN and segid B2WT ) (resid 69 and name N and segid B2WT ) (resid 69 and name HN and segid B2WT ) 59.3 30.7 120.7 30.7 ! excluded 0.318
assign (resid 24 and name N and segid B2WT ) (resid 24 and name HN and segid B2WT ) (resid 81 and name N and segid B2WT ) (resid 81 and name HN and segid B2WT ) 59.3 30.7 120.7 30.7 ! excluded 0.318
assign (resid 24 and name N and segid B2WT ) (resid 24 and name HN and segid B2WT ) (resid 96 and name N and segid B2WT ) (resid 96 and name HN and segid B2WT ) 59.3 30.7 120.7 30.7 ! excluded 0.318
assign (resid 73 and name N and segid B2WT ) (resid 73 and name HN and segid B2WT ) (resid 91 and name N and segid B2WT ) (resid 91 and name HN and segid B2WT ) 59.3 30.7 120.7 30.7 ! excluded 0.318
assign (resid 30 and name N and segid B2WT ) (resid 30 and name HN and segid B2WT ) (resid 89 and name N and segid B2WT ) (resid 89 and name HN and segid B2WT ) 59.3 30.7 120.7 30.7 ! excluded 0.317
assign (resid 30 and name N and segid B2WT ) (resid 30 and name HN and segid B2WT ) (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) 59.3 30.7 120.7 30.7 ! excluded 0.317
assign (resid 11 and name N and segid B2WT ) (resid 11 and name HN and segid B2WT ) (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) 59.3 30.7 120.7 30.7 ! excluded 0.317
assign (resid 33 and name N and segid B2WT ) (resid 33 and name HN and segid B2WT ) (resid 45 and name N and segid B2WT ) (resid 45 and name HN and segid B2WT ) 59.3 30.7 120.7 30.7 ! excluded 0.317
assign (resid 24 and name N and segid B2WT ) (resid 24 and name HN and segid B2WT ) (resid 59 and name N and segid B2WT ) (resid 59 and name HN and segid B2WT ) 59.3 30.7 120.7 30.7 ! excluded 0.317
assign (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) (resid 97 and name N and segid B2WT ) (resid 97 and name HN and segid B2WT ) 59.3 30.7 120.7 30.7 ! excluded 0.317
assign (resid 51 and name N and segid B2WT ) (resid 51 and name HN and segid B2WT ) (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) 59.3 30.7 120.7 30.7 ! excluded 0.317
assign (resid 52 and name N and segid B2WT ) (resid 52 and name HN and segid B2WT ) (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) 59.3 30.7 120.7 30.7 ! excluded 0.317
assign (resid 38 and name N and segid B2WT ) (resid 38 and name HN and segid B2WT ) (resid 55 and name N and segid B2WT ) (resid 55 and name HN and segid B2WT ) 59.2 30.8 120.8 30.8 ! excluded 0.317
assign (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) (resid 77 and name N and segid B2WT ) (resid 77 and name HN and segid B2WT ) 59.2 30.8 120.8 30.8 ! excluded 0.316
assign (resid 21 and name N and segid B2WT ) (resid 21 and name HN and segid B2WT ) (resid 38 and name N and segid B2WT ) (resid 38 and name HN and segid B2WT ) 59.2 30.8 120.8 30.8 ! excluded 0.315
assign (resid 12 and name N and segid B2WT ) (resid 12 and name HN and segid B2WT ) (resid 70 and name N and segid B2WT ) (resid 70 and name HN and segid B2WT ) 59.1 30.9 120.9 30.9 ! excluded 0.314
assign (resid 35 and name N and segid B2WT ) (resid 35 and name HN and segid B2WT ) (resid 70 and name N and segid B2WT ) (resid 70 and name HN and segid B2WT ) 59.1 30.9 120.9 30.9 ! excluded 0.313
assign (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) (resid 86 and name N and segid B2WT ) (resid 86 and name HN and segid B2WT ) 59.1 30.9 120.9 30.9 ! excluded 0.313
assign (resid 19 and name N and segid B2WT ) (resid 19 and name HN and segid B2WT ) (resid 41 and name N and segid B2WT ) (resid 41 and name HN and segid B2WT ) 59.1 30.9 120.9 30.9 ! excluded 0.312
assign (resid 76 and name N and segid B2WT ) (resid 76 and name HN and segid B2WT ) (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) 59.0 31.0 121.0 31.0 ! excluded 0.312
assign (resid 24 and name N and segid B2WT ) (resid 24 and name HN and segid B2WT ) (resid 38 and name N and segid B2WT ) (resid 38 and name HN and segid B2WT ) 59.0 31.0 121.0 31.0 ! excluded 0.311
assign (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) (resid 82 and name N and segid B2WT ) (resid 82 and name HN and segid B2WT ) 59.0 31.0 121.0 31.0 ! excluded 0.311
assign (resid 40 and name N and segid B2WT ) (resid 40 and name HN and segid B2WT ) (resid 50 and name N and segid B2WT ) (resid 50 and name HN and segid B2WT ) 59.0 31.0 121.0 31.0 ! excluded 0.311
assign (resid 9 and name N and segid B2WT ) (resid 9 and name HN and segid B2WT ) (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) 59.0 31.0 121.0 31.0 ! excluded 0.311
assign (resid 3 and name N and segid B2WT ) (resid 3 and name HN and segid B2WT ) (resid 16 and name N and segid B2WT ) (resid 16 and name HN and segid B2WT ) 59.0 31.0 121.0 31.0 ! excluded 0.310
assign (resid 3 and name N and segid B2WT ) (resid 3 and name HN and segid B2WT ) (resid 28 and name N and segid B2WT ) (resid 28 and name HN and segid B2WT ) 59.0 31.0 121.0 31.0 ! excluded 0.310
assign (resid 16 and name N and segid B2WT ) (resid 16 and name HN and segid B2WT ) (resid 94 and name N and segid B2WT ) (resid 94 and name HN and segid B2WT ) 59.0 31.0 121.0 31.0 ! excluded 0.310
assign (resid 28 and name N and segid B2WT ) (resid 28 and name HN and segid B2WT ) (resid 94 and name N and segid B2WT ) (resid 94 and name HN and segid B2WT ) 59.0 31.0 121.0 31.0 ! excluded 0.310
assign (resid 30 and name N and segid B2WT ) (resid 30 and name HN and segid B2WT ) (resid 41 and name N and segid B2WT ) (resid 41 and name HN and segid B2WT ) 58.9 31.1 121.1 31.1 ! excluded 0.310
assign (resid 69 and name N and segid B2WT ) (resid 69 and name HN and segid B2WT ) (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) 58.9 31.1 121.1 31.1 ! excluded 0.309
assign (resid 39 and name N and segid B2WT ) (resid 39 and name HN and segid B2WT ) (resid 70 and name N and segid B2WT ) (resid 70 and name HN and segid B2WT ) 58.9 31.1 121.1 31.1 ! excluded 0.309
assign (resid 3 and name N and segid B2WT ) (resid 3 and name HN and segid B2WT ) (resid 84 and name N and segid B2WT ) (resid 84 and name HN and segid B2WT ) 58.9 31.1 121.1 31.1 ! excluded 0.309
assign (resid 84 and name N and segid B2WT ) (resid 84 and name HN and segid B2WT ) (resid 94 and name N and segid B2WT ) (resid 94 and name HN and segid B2WT ) 58.9 31.1 121.1 31.1 ! excluded 0.309
assign (resid 89 and name N and segid B2WT ) (resid 89 and name HN and segid B2WT ) (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) 58.9 31.1 121.1 31.1 ! excluded 0.308
assign (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) 58.9 31.1 121.1 31.1 ! excluded 0.308
assign (resid 56 and name N and segid B2WT ) (resid 56 and name HN and segid B2WT ) (resid 73 and name N and segid B2WT ) (resid 73 and name HN and segid B2WT ) 58.8 31.2 121.2 31.2 ! excluded 0.307
assign (resid 6 and name N and segid B2WT ) (resid 6 and name HN and segid B2WT ) (resid 40 and name N and segid B2WT ) (resid 40 and name HN and segid B2WT ) 58.8 31.2 121.2 31.2 ! excluded 0.307
assign (resid 26 and name N and segid B2WT ) (resid 26 and name HN and segid B2WT ) (resid 40 and name N and segid B2WT ) (resid 40 and name HN and segid B2WT ) 58.8 31.2 121.2 31.2 ! excluded 0.307
assign (resid 40 and name N and segid B2WT ) (resid 40 and name HN and segid B2WT ) (resid 71 and name N and segid B2WT ) (resid 71 and name HN and segid B2WT ) 58.8 31.2 121.2 31.2 ! excluded 0.307
assign (resid 22 and name N and segid B2WT ) (resid 22 and name HN and segid B2WT ) (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) 58.8 31.2 121.2 31.2 ! excluded 0.307
assign (resid 19 and name N and segid B2WT ) (resid 19 and name HN and segid B2WT ) (resid 42 and name N and segid B2WT ) (resid 42 and name HN and segid B2WT ) 58.8 31.2 121.2 31.2 ! excluded 0.306
assign (resid 45 and name N and segid B2WT ) (resid 45 and name HN and segid B2WT ) (resid 48 and name N and segid B2WT ) (resid 48 and name HN and segid B2WT ) 58.8 31.2 121.2 31.2 ! excluded 0.306
assign (resid 16 and name N and segid B2WT ) (resid 16 and name HN and segid B2WT ) (resid 81 and name N and segid B2WT ) (resid 81 and name HN and segid B2WT ) 58.7 31.3 121.3 31.3 ! excluded 0.305
assign (resid 16 and name N and segid B2WT ) (resid 16 and name HN and segid B2WT ) (resid 96 and name N and segid B2WT ) (resid 96 and name HN and segid B2WT ) 58.7 31.3 121.3 31.3 ! excluded 0.305
assign (resid 28 and name N and segid B2WT ) (resid 28 and name HN and segid B2WT ) (resid 81 and name N and segid B2WT ) (resid 81 and name HN and segid B2WT ) 58.7 31.3 121.3 31.3 ! excluded 0.305
assign (resid 28 and name N and segid B2WT ) (resid 28 and name HN and segid B2WT ) (resid 96 and name N and segid B2WT ) (resid 96 and name HN and segid B2WT ) 58.7 31.3 121.3 31.3 ! excluded 0.305
assign (resid 16 and name N and segid B2WT ) (resid 16 and name HN and segid B2WT ) (resid 59 and name N and segid B2WT ) (resid 59 and name HN and segid B2WT ) 58.7 31.3 121.3 31.3 ! excluded 0.304
assign (resid 28 and name N and segid B2WT ) (resid 28 and name HN and segid B2WT ) (resid 59 and name N and segid B2WT ) (resid 59 and name HN and segid B2WT ) 58.7 31.3 121.3 31.3 ! excluded 0.304
assign (resid 30 and name N and segid B2WT ) (resid 30 and name HN and segid B2WT ) (resid 42 and name N and segid B2WT ) (resid 42 and name HN and segid B2WT ) 58.6 31.4 121.4 31.4 ! excluded 0.303
assign (resid 64 and name N and segid B2WT ) (resid 64 and name HN and segid B2WT ) (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) 58.6 31.4 121.4 31.4 ! excluded 0.303
assign (resid 81 and name N and segid B2WT ) (resid 81 and name HN and segid B2WT ) (resid 84 and name N and segid B2WT ) (resid 84 and name HN and segid B2WT ) 58.6 31.4 121.4 31.4 ! excluded 0.303
assign (resid 84 and name N and segid B2WT ) (resid 84 and name HN and segid B2WT ) (resid 96 and name N and segid B2WT ) (resid 96 and name HN and segid B2WT ) 58.6 31.4 121.4 31.4 ! excluded 0.303
assign (resid 59 and name N and segid B2WT ) (resid 59 and name HN and segid B2WT ) (resid 84 and name N and segid B2WT ) (resid 84 and name HN and segid B2WT ) 58.6 31.4 121.4 31.4 ! excluded 0.302
assign (resid 40 and name N and segid B2WT ) (resid 40 and name HN and segid B2WT ) (resid 55 and name N and segid B2WT ) (resid 55 and name HN and segid B2WT ) 58.6 31.4 121.4 31.4 ! excluded 0.302
assign (resid 7 and name N and segid B2WT ) (resid 7 and name HN and segid B2WT ) (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) 58.6 31.4 121.4 31.4 ! excluded 0.301
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 43 and name N and segid B2WT ) (resid 43 and name HN and segid B2WT ) 58.6 31.4 121.4 31.4 ! excluded 0.301
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 83 and name N and segid B2WT ) (resid 83 and name HN and segid B2WT ) 58.6 31.4 121.4 31.4 ! excluded 0.301
assign (resid 19 and name N and segid B2WT ) (resid 19 and name HN and segid B2WT ) (resid 98 and name N and segid B2WT ) (resid 98 and name HN and segid B2WT ) 58.6 31.4 121.4 31.4 ! excluded 0.301
assign (resid 9 and name N and segid B2WT ) (resid 9 and name HN and segid B2WT ) (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) 58.5 31.5 121.5 31.5 ! excluded 0.301
assign (resid 18 and name N and segid B2WT ) (resid 18 and name HN and segid B2WT ) (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) 58.5 31.5 121.5 31.5 ! excluded 0.300
assign (resid 21 and name N and segid B2WT ) (resid 21 and name HN and segid B2WT ) (resid 40 and name N and segid B2WT ) (resid 40 and name HN and segid B2WT ) 58.5 31.5 121.5 31.5 ! excluded 0.300
assign (resid 41 and name N and segid B2WT ) (resid 41 and name HN and segid B2WT ) (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) 58.5 31.5 121.5 31.5 ! excluded 0.300
assign (resid 12 and name N and segid B2WT ) (resid 12 and name HN and segid B2WT ) (resid 50 and name N and segid B2WT ) (resid 50 and name HN and segid B2WT ) 58.5 31.5 121.5 31.5 ! excluded 0.299
assign (resid 17 and name N and segid B2WT ) (resid 17 and name HN and segid B2WT ) (resid 19 and name N and segid B2WT ) (resid 19 and name HN and segid B2WT ) 58.4 31.6 121.6 31.6 ! excluded 0.299
assign (resid 30 and name N and segid B2WT ) (resid 30 and name HN and segid B2WT ) (resid 98 and name N and segid B2WT ) (resid 98 and name HN and segid B2WT ) 58.4 31.6 121.6 31.6 ! excluded 0.298
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 92 and name N and segid B2WT ) (resid 92 and name HN and segid B2WT ) 58.4 31.6 121.6 31.6 ! excluded 0.298
assign (resid 16 and name N and segid B2WT ) (resid 16 and name HN and segid B2WT ) (resid 38 and name N and segid B2WT ) (resid 38 and name HN and segid B2WT ) 58.4 31.6 121.6 31.6 ! excluded 0.298
assign (resid 28 and name N and segid B2WT ) (resid 28 and name HN and segid B2WT ) (resid 38 and name N and segid B2WT ) (resid 38 and name HN and segid B2WT ) 58.4 31.6 121.6 31.6 ! excluded 0.298
assign (resid 3 and name N and segid B2WT ) (resid 3 and name HN and segid B2WT ) (resid 91 and name N and segid B2WT ) (resid 91 and name HN and segid B2WT ) 58.4 31.6 121.6 31.6 ! excluded 0.298
assign (resid 91 and name N and segid B2WT ) (resid 91 and name HN and segid B2WT ) (resid 94 and name N and segid B2WT ) (resid 94 and name HN and segid B2WT ) 58.4 31.6 121.6 31.6 ! excluded 0.298
assign (resid 19 and name N and segid B2WT ) (resid 19 and name HN and segid B2WT ) (resid 68 and name N and segid B2WT ) (resid 68 and name HN and segid B2WT ) 58.4 31.6 121.6 31.6 ! excluded 0.298
assign (resid 35 and name N and segid B2WT ) (resid 35 and name HN and segid B2WT ) (resid 50 and name N and segid B2WT ) (resid 50 and name HN and segid B2WT ) 58.4 31.6 121.6 31.6 ! excluded 0.297
assign (resid 24 and name N and segid B2WT ) (resid 24 and name HN and segid B2WT ) (resid 40 and name N and segid B2WT ) (resid 40 and name HN and segid B2WT ) 58.4 31.6 121.6 31.6 ! excluded 0.297
assign (resid 38 and name N and segid B2WT ) (resid 38 and name HN and segid B2WT ) (resid 84 and name N and segid B2WT ) (resid 84 and name HN and segid B2WT ) 58.3 31.7 121.7 31.7 ! excluded 0.297
assign (resid 22 and name N and segid B2WT ) (resid 22 and name HN and segid B2WT ) (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) 58.3 31.7 121.7 31.7 ! excluded 0.297
assign (resid 17 and name N and segid B2WT ) (resid 17 and name HN and segid B2WT ) (resid 30 and name N and segid B2WT ) (resid 30 and name HN and segid B2WT ) 58.3 31.7 121.7 31.7 ! excluded 0.296
assign (resid 45 and name N and segid B2WT ) (resid 45 and name HN and segid B2WT ) (resid 93 and name N and segid B2WT ) (resid 93 and name HN and segid B2WT ) 58.3 31.7 121.7 31.7 ! excluded 0.296
assign (resid 6 and name N and segid B2WT ) (resid 6 and name HN and segid B2WT ) (resid 12 and name N and segid B2WT ) (resid 12 and name HN and segid B2WT ) 58.3 31.7 121.7 31.7 ! excluded 0.295
assign (resid 12 and name N and segid B2WT ) (resid 12 and name HN and segid B2WT ) (resid 26 and name N and segid B2WT ) (resid 26 and name HN and segid B2WT ) 58.3 31.7 121.7 31.7 ! excluded 0.295
assign (resid 12 and name N and segid B2WT ) (resid 12 and name HN and segid B2WT ) (resid 71 and name N and segid B2WT ) (resid 71 and name HN and segid B2WT ) 58.3 31.7 121.7 31.7 ! excluded 0.295
assign (resid 19 and name N and segid B2WT ) (resid 19 and name HN and segid B2WT ) (resid 44 and name N and segid B2WT ) (resid 44 and name HN and segid B2WT ) 58.3 31.7 121.7 31.7 ! excluded 0.295
assign (resid 30 and name N and segid B2WT ) (resid 30 and name HN and segid B2WT ) (resid 68 and name N and segid B2WT ) (resid 68 and name HN and segid B2WT ) 58.3 31.7 121.7 31.7 ! excluded 0.295
assign (resid 65 and name N and segid B2WT ) (resid 65 and name HN and segid B2WT ) (resid 73 and name N and segid B2WT ) (resid 73 and name HN and segid B2WT ) 58.3 31.7 121.7 31.7 ! excluded 0.295
assign (resid 42 and name N and segid B2WT ) (resid 42 and name HN and segid B2WT ) (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) 58.2 31.8 121.8 31.8 ! excluded 0.294
assign (resid 6 and name N and segid B2WT ) (resid 6 and name HN and segid B2WT ) (resid 35 and name N and segid B2WT ) (resid 35 and name HN and segid B2WT ) 58.2 31.8 121.8 31.8 ! excluded 0.294
assign (resid 26 and name N and segid B2WT ) (resid 26 and name HN and segid B2WT ) (resid 35 and name N and segid B2WT ) (resid 35 and name HN and segid B2WT ) 58.2 31.8 121.8 31.8 ! excluded 0.294
assign (resid 35 and name N and segid B2WT ) (resid 35 and name HN and segid B2WT ) (resid 71 and name N and segid B2WT ) (resid 71 and name HN and segid B2WT ) 58.2 31.8 121.8 31.8 ! excluded 0.294
assign (resid 39 and name N and segid B2WT ) (resid 39 and name HN and segid B2WT ) (resid 50 and name N and segid B2WT ) (resid 50 and name HN and segid B2WT ) 58.2 31.8 121.8 31.8 ! excluded 0.294
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 93 and name N and segid B2WT ) (resid 93 and name HN and segid B2WT ) 58.2 31.8 121.8 31.8 ! excluded 0.293
assign (resid 30 and name N and segid B2WT ) (resid 30 and name HN and segid B2WT ) (resid 44 and name N and segid B2WT ) (resid 44 and name HN and segid B2WT ) 58.2 31.8 121.8 31.8 ! excluded 0.292
assign (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) (resid 97 and name N and segid B2WT ) (resid 97 and name HN and segid B2WT ) 58.2 31.8 121.8 31.8 ! excluded 0.292
assign (resid 70 and name N and segid B2WT ) (resid 70 and name HN and segid B2WT ) (resid 80 and name N and segid B2WT ) (resid 80 and name HN and segid B2WT ) 58.2 31.8 121.8 31.8 ! excluded 0.292
assign (resid 81 and name N and segid B2WT ) (resid 81 and name HN and segid B2WT ) (resid 91 and name N and segid B2WT ) (resid 91 and name HN and segid B2WT ) 58.1 31.9 121.9 31.9 ! excluded 0.292
assign (resid 91 and name N and segid B2WT ) (resid 91 and name HN and segid B2WT ) (resid 96 and name N and segid B2WT ) (resid 96 and name HN and segid B2WT ) 58.1 31.9 121.9 31.9 ! excluded 0.292
assign (resid 7 and name N and segid B2WT ) (resid 7 and name HN and segid B2WT ) (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) 58.1 31.9 121.9 31.9 ! excluded 0.291
assign (resid 43 and name N and segid B2WT ) (resid 43 and name HN and segid B2WT ) (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) 58.1 31.9 121.9 31.9 ! excluded 0.291
assign (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) (resid 83 and name N and segid B2WT ) (resid 83 and name HN and segid B2WT ) 58.1 31.9 121.9 31.9 ! excluded 0.291
assign (resid 59 and name N and segid B2WT ) (resid 59 and name HN and segid B2WT ) (resid 91 and name N and segid B2WT ) (resid 91 and name HN and segid B2WT ) 58.1 31.9 121.9 31.9 ! excluded 0.291
assign (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) (resid 77 and name N and segid B2WT ) (resid 77 and name HN and segid B2WT ) 58.1 31.9 121.9 31.9 ! excluded 0.291
assign (resid 45 and name N and segid B2WT ) (resid 45 and name HN and segid B2WT ) (resid 92 and name N and segid B2WT ) (resid 92 and name HN and segid B2WT ) 58.1 31.9 121.9 31.9 ! excluded 0.291
assign (resid 18 and name N and segid B2WT ) (resid 18 and name HN and segid B2WT ) (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) 58.1 31.9 121.9 31.9 ! excluded 0.290
assign (resid 12 and name N and segid B2WT ) (resid 12 and name HN and segid B2WT ) (resid 55 and name N and segid B2WT ) (resid 55 and name HN and segid B2WT ) 58.1 31.9 121.9 31.9 ! excluded 0.290
assign (resid 6 and name N and segid B2WT ) (resid 6 and name HN and segid B2WT ) (resid 39 and name N and segid B2WT ) (resid 39 and name HN and segid B2WT ) 58.0 32.0 122.0 32.0 ! excluded 0.290
assign (resid 26 and name N and segid B2WT ) (resid 26 and name HN and segid B2WT ) (resid 39 and name N and segid B2WT ) (resid 39 and name HN and segid B2WT ) 58.0 32.0 122.0 32.0 ! excluded 0.290
assign (resid 39 and name N and segid B2WT ) (resid 39 and name HN and segid B2WT ) (resid 71 and name N and segid B2WT ) (resid 71 and name HN and segid B2WT ) 58.0 32.0 122.0 32.0 ! excluded 0.290
assign (resid 19 and name N and segid B2WT ) (resid 19 and name HN and segid B2WT ) (resid 54 and name N and segid B2WT ) (resid 54 and name HN and segid B2WT ) 58.0 32.0 122.0 32.0 ! excluded 0.289
assign (resid 19 and name N and segid B2WT ) (resid 19 and name HN and segid B2WT ) (resid 78 and name N and segid B2WT ) (resid 78 and name HN and segid B2WT ) 58.0 32.0 122.0 32.0 ! excluded 0.289
assign (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) (resid 98 and name N and segid B2WT ) (resid 98 and name HN and segid B2WT ) 58.0 32.0 122.0 32.0 ! excluded 0.289
assign (resid 18 and name N and segid B2WT ) (resid 18 and name HN and segid B2WT ) (resid 45 and name N and segid B2WT ) (resid 45 and name HN and segid B2WT ) 58.0 32.0 122.0 32.0 ! excluded 0.289
assign (resid 12 and name N and segid B2WT ) (resid 12 and name HN and segid B2WT ) (resid 21 and name N and segid B2WT ) (resid 21 and name HN and segid B2WT ) 58.0 32.0 122.0 32.0 ! excluded 0.288
assign (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) (resid 92 and name N and segid B2WT ) (resid 92 and name HN and segid B2WT ) 58.0 32.0 122.0 32.0 ! excluded 0.288
assign (resid 35 and name N and segid B2WT ) (resid 35 and name HN and segid B2WT ) (resid 55 and name N and segid B2WT ) (resid 55 and name HN and segid B2WT ) 58.0 32.0 122.0 32.0 ! excluded 0.288
assign (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) (resid 86 and name N and segid B2WT ) (resid 86 and name HN and segid B2WT ) 58.0 32.0 122.0 32.0 ! excluded 0.288
assign (resid 10 and name N and segid B2WT ) (resid 10 and name HN and segid B2WT ) (resid 73 and name N and segid B2WT ) (resid 73 and name HN and segid B2WT ) 57.9 32.1 122.1 32.1 ! excluded 0.288
assign (resid 67 and name N and segid B2WT ) (resid 67 and name HN and segid B2WT ) (resid 73 and name N and segid B2WT ) (resid 73 and name HN and segid B2WT ) 57.9 32.1 122.1 32.1 ! excluded 0.288
assign (resid 7 and name N and segid B2WT ) (resid 7 and name HN and segid B2WT ) (resid 45 and name N and segid B2WT ) (resid 45 and name HN and segid B2WT ) 57.9 32.1 122.1 32.1 ! excluded 0.288
assign (resid 43 and name N and segid B2WT ) (resid 43 and name HN and segid B2WT ) (resid 45 and name N and segid B2WT ) (resid 45 and name HN and segid B2WT ) 57.9 32.1 122.1 32.1 ! excluded 0.288
assign (resid 45 and name N and segid B2WT ) (resid 45 and name HN and segid B2WT ) (resid 83 and name N and segid B2WT ) (resid 83 and name HN and segid B2WT ) 57.9 32.1 122.1 32.1 ! excluded 0.288
assign (resid 3 and name N and segid B2WT ) (resid 3 and name HN and segid B2WT ) (resid 56 and name N and segid B2WT ) (resid 56 and name HN and segid B2WT ) 57.9 32.1 122.1 32.1 ! excluded 0.287
assign (resid 56 and name N and segid B2WT ) (resid 56 and name HN and segid B2WT ) (resid 94 and name N and segid B2WT ) (resid 94 and name HN and segid B2WT ) 57.9 32.1 122.1 32.1 ! excluded 0.287
assign (resid 49 and name N and segid B2WT ) (resid 49 and name HN and segid B2WT ) (resid 87 and name N and segid B2WT ) (resid 87 and name HN and segid B2WT ) 57.9 32.1 122.1 32.1 ! excluded 0.287
assign (resid 17 and name N and segid B2WT ) (resid 17 and name HN and segid B2WT ) (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) 57.9 32.1 122.1 32.1 ! excluded 0.287
assign (resid 21 and name N and segid B2WT ) (resid 21 and name HN and segid B2WT ) (resid 35 and name N and segid B2WT ) (resid 35 and name HN and segid B2WT ) 57.9 32.1 122.1 32.1 ! excluded 0.287
assign (resid 30 and name N and segid B2WT ) (resid 30 and name HN and segid B2WT ) (resid 54 and name N and segid B2WT ) (resid 54 and name HN and segid B2WT ) 57.9 32.1 122.1 32.1 ! excluded 0.286
assign (resid 30 and name N and segid B2WT ) (resid 30 and name HN and segid B2WT ) (resid 78 and name N and segid B2WT ) (resid 78 and name HN and segid B2WT ) 57.9 32.1 122.1 32.1 ! excluded 0.286
assign (resid 38 and name N and segid B2WT ) (resid 38 and name HN and segid B2WT ) (resid 91 and name N and segid B2WT ) (resid 91 and name HN and segid B2WT ) 57.9 32.1 122.1 32.1 ! excluded 0.286
assign (resid 68 and name N and segid B2WT ) (resid 68 and name HN and segid B2WT ) (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) 57.8 32.2 122.2 32.2 ! excluded 0.285
assign (resid 12 and name N and segid B2WT ) (resid 12 and name HN and segid B2WT ) (resid 24 and name N and segid B2WT ) (resid 24 and name HN and segid B2WT ) 57.8 32.2 122.2 32.2 ! excluded 0.285
assign (resid 49 and name N and segid B2WT ) (resid 49 and name HN and segid B2WT ) (resid 99 and name N and segid B2WT ) (resid 99 and name HN and segid B2WT ) 57.8 32.2 122.2 32.2 ! excluded 0.285
assign (resid 39 and name N and segid B2WT ) (resid 39 and name HN and segid B2WT ) (resid 55 and name N and segid B2WT ) (resid 55 and name HN and segid B2WT ) 57.8 32.2 122.2 32.2 ! excluded 0.285
assign (resid 16 and name N and segid B2WT ) (resid 16 and name HN and segid B2WT ) (resid 40 and name N and segid B2WT ) (resid 40 and name HN and segid B2WT ) 57.8 32.2 122.2 32.2 ! excluded 0.284
assign (resid 28 and name N and segid B2WT ) (resid 28 and name HN and segid B2WT ) (resid 40 and name N and segid B2WT ) (resid 40 and name HN and segid B2WT ) 57.8 32.2 122.2 32.2 ! excluded 0.284
assign (resid 19 and name N and segid B2WT ) (resid 19 and name HN and segid B2WT ) (resid 25 and name N and segid B2WT ) (resid 25 and name HN and segid B2WT ) 57.8 32.2 122.2 32.2 ! excluded 0.283
assign (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) (resid 93 and name N and segid B2WT ) (resid 93 and name HN and segid B2WT ) 57.7 32.3 122.3 32.3 ! excluded 0.283
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 48 and name N and segid B2WT ) (resid 48 and name HN and segid B2WT ) 57.7 32.3 122.3 32.3 ! excluded 0.283
assign (resid 24 and name N and segid B2WT ) (resid 24 and name HN and segid B2WT ) (resid 35 and name N and segid B2WT ) (resid 35 and name HN and segid B2WT ) 57.7 32.3 122.3 32.3 ! excluded 0.283
assign (resid 44 and name N and segid B2WT ) (resid 44 and name HN and segid B2WT ) (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) 57.7 32.3 122.3 32.3 ! excluded 0.283
assign (resid 70 and name N and segid B2WT ) (resid 70 and name HN and segid B2WT ) (resid 79 and name N and segid B2WT ) (resid 79 and name HN and segid B2WT ) 57.7 32.3 122.3 32.3 ! excluded 0.283
assign (resid 21 and name N and segid B2WT ) (resid 21 and name HN and segid B2WT ) (resid 39 and name N and segid B2WT ) (resid 39 and name HN and segid B2WT ) 57.7 32.3 122.3 32.3 ! excluded 0.283
assign (resid 22 and name N and segid B2WT ) (resid 22 and name HN and segid B2WT ) (resid 45 and name N and segid B2WT ) (resid 45 and name HN and segid B2WT ) 57.7 32.3 122.3 32.3 ! excluded 0.282
assign (resid 40 and name N and segid B2WT ) (resid 40 and name HN and segid B2WT ) (resid 84 and name N and segid B2WT ) (resid 84 and name HN and segid B2WT ) 57.7 32.3 122.3 32.3 ! excluded 0.282
assign (resid 36 and name N and segid B2WT ) (resid 36 and name HN and segid B2WT ) (resid 70 and name N and segid B2WT ) (resid 70 and name HN and segid B2WT ) 57.7 32.3 122.3 32.3 ! excluded 0.282
assign (resid 56 and name N and segid B2WT ) (resid 56 and name HN and segid B2WT ) (resid 81 and name N and segid B2WT ) (resid 81 and name HN and segid B2WT ) 57.7 32.3 122.3 32.3 ! excluded 0.282
assign (resid 56 and name N and segid B2WT ) (resid 56 and name HN and segid B2WT ) (resid 96 and name N and segid B2WT ) (resid 96 and name HN and segid B2WT ) 57.7 32.3 122.3 32.3 ! excluded 0.282
assign (resid 19 and name N and segid B2WT ) (resid 19 and name HN and segid B2WT ) (resid 58 and name N and segid B2WT ) (resid 58 and name HN and segid B2WT ) 57.6 32.4 122.4 32.4 ! excluded 0.281
assign (resid 11 and name N and segid B2WT ) (resid 11 and name HN and segid B2WT ) (resid 73 and name N and segid B2WT ) (resid 73 and name HN and segid B2WT ) 57.6 32.4 122.4 32.4 ! excluded 0.281
assign (resid 56 and name N and segid B2WT ) (resid 56 and name HN and segid B2WT ) (resid 59 and name N and segid B2WT ) (resid 59 and name HN and segid B2WT ) 57.6 32.4 122.4 32.4 ! excluded 0.281
assign (resid 45 and name N and segid B2WT ) (resid 45 and name HN and segid B2WT ) (resid 49 and name N and segid B2WT ) (resid 49 and name HN and segid B2WT ) 37.5 32.4 142.5 32.4 ! excluded 0.281
assign (resid 25 and name N and segid B2WT ) (resid 25 and name HN and segid B2WT ) (resid 30 and name N and segid B2WT ) (resid 30 and name HN and segid B2WT ) 57.6 32.4 122.4 32.4 ! excluded 0.281
assign (resid 24 and name N and segid B2WT ) (resid 24 and name HN and segid B2WT ) (resid 39 and name N and segid B2WT ) (resid 39 and name HN and segid B2WT ) 57.6 32.4 122.4 32.4 ! excluded 0.279
assign (resid 19 and name N and segid B2WT ) (resid 19 and name HN and segid B2WT ) (resid 51 and name N and segid B2WT ) (resid 51 and name HN and segid B2WT ) 57.5 32.5 122.5 32.5 ! excluded 0.279
assign (resid 19 and name N and segid B2WT ) (resid 19 and name HN and segid B2WT ) (resid 52 and name N and segid B2WT ) (resid 52 and name HN and segid B2WT ) 57.5 32.5 122.5 32.5 ! excluded 0.279
assign (resid 30 and name N and segid B2WT ) (resid 30 and name HN and segid B2WT ) (resid 58 and name N and segid B2WT ) (resid 58 and name HN and segid B2WT ) 57.5 32.5 122.5 32.5 ! excluded 0.278
assign (resid 9 and name N and segid B2WT ) (resid 9 and name HN and segid B2WT ) (resid 45 and name N and segid B2WT ) (resid 45 and name HN and segid B2WT ) 57.5 32.5 122.5 32.5 ! excluded 0.278
assign (resid 54 and name N and segid B2WT ) (resid 54 and name HN and segid B2WT ) (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) 57.5 32.5 122.5 32.5 ! excluded 0.277
assign (resid 78 and name N and segid B2WT ) (resid 78 and name HN and segid B2WT ) (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) 57.5 32.5 122.5 32.5 ! excluded 0.277
assign (resid 50 and name N and segid B2WT ) (resid 50 and name HN and segid B2WT ) (resid 80 and name N and segid B2WT ) (resid 80 and name HN and segid B2WT ) 57.5 32.5 122.5 32.5 ! excluded 0.277
assign (resid 9 and name N and segid B2WT ) (resid 9 and name HN and segid B2WT ) (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) 57.4 32.6 122.6 32.6 ! excluded 0.276
assign (resid 30 and name N and segid B2WT ) (resid 30 and name HN and segid B2WT ) (resid 51 and name N and segid B2WT ) (resid 51 and name HN and segid B2WT ) 57.4 32.6 122.6 32.6 ! excluded 0.276
assign (resid 30 and name N and segid B2WT ) (resid 30 and name HN and segid B2WT ) (resid 52 and name N and segid B2WT ) (resid 52 and name HN and segid B2WT ) 57.4 32.6 122.6 32.6 ! excluded 0.276
assign (resid 73 and name N and segid B2WT ) (resid 73 and name HN and segid B2WT ) (resid 76 and name N and segid B2WT ) (resid 76 and name HN and segid B2WT ) 57.4 32.6 122.6 32.6 ! excluded 0.276
assign (resid 38 and name N and segid B2WT ) (resid 38 and name HN and segid B2WT ) (resid 56 and name N and segid B2WT ) (resid 56 and name HN and segid B2WT ) 57.4 32.6 122.6 32.6 ! excluded 0.275
assign (resid 3 and name N and segid B2WT ) (resid 3 and name HN and segid B2WT ) (resid 65 and name N and segid B2WT ) (resid 65 and name HN and segid B2WT ) 57.4 32.6 122.6 32.6 ! excluded 0.274
assign (resid 65 and name N and segid B2WT ) (resid 65 and name HN and segid B2WT ) (resid 94 and name N and segid B2WT ) (resid 94 and name HN and segid B2WT ) 57.4 32.6 122.6 32.6 ! excluded 0.274
assign (resid 6 and name N and segid B2WT ) (resid 6 and name HN and segid B2WT ) (resid 80 and name N and segid B2WT ) (resid 80 and name HN and segid B2WT ) 57.3 32.7 122.7 32.7 ! excluded 0.273
assign (resid 26 and name N and segid B2WT ) (resid 26 and name HN and segid B2WT ) (resid 80 and name N and segid B2WT ) (resid 80 and name HN and segid B2WT ) 57.3 32.7 122.7 32.7 ! excluded 0.273
assign (resid 71 and name N and segid B2WT ) (resid 71 and name HN and segid B2WT ) (resid 80 and name N and segid B2WT ) (resid 80 and name HN and segid B2WT ) 57.3 32.7 122.7 32.7 ! excluded 0.273
assign (resid 69 and name N and segid B2WT ) (resid 69 and name HN and segid B2WT ) (resid 73 and name N and segid B2WT ) (resid 73 and name HN and segid B2WT ) 57.3 32.7 122.7 32.7 ! excluded 0.273
assign (resid 19 and name N and segid B2WT ) (resid 19 and name HN and segid B2WT ) (resid 82 and name N and segid B2WT ) (resid 82 and name HN and segid B2WT ) 57.3 32.7 122.7 32.7 ! excluded 0.273
assign (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) (resid 48 and name N and segid B2WT ) (resid 48 and name HN and segid B2WT ) 57.3 32.7 122.7 32.7 ! excluded 0.273
assign (resid 33 and name N and segid B2WT ) (resid 33 and name HN and segid B2WT ) (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) 57.2 32.8 122.8 32.8 ! excluded 0.272
assign (resid 22 and name N and segid B2WT ) (resid 22 and name HN and segid B2WT ) (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) 57.2 32.8 122.8 32.8 ! excluded 0.272
assign (resid 73 and name N and segid B2WT ) (resid 73 and name HN and segid B2WT ) (resid 89 and name N and segid B2WT ) (resid 89 and name HN and segid B2WT ) 57.2 32.8 122.8 32.8 ! excluded 0.272
assign (resid 73 and name N and segid B2WT ) (resid 73 and name HN and segid B2WT ) (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) 57.2 32.8 122.8 32.8 ! excluded 0.272
assign (resid 12 and name N and segid B2WT ) (resid 12 and name HN and segid B2WT ) (resid 16 and name N and segid B2WT ) (resid 16 and name HN and segid B2WT ) 57.2 32.8 122.8 32.8 ! excluded 0.272
assign (resid 12 and name N and segid B2WT ) (resid 12 and name HN and segid B2WT ) (resid 28 and name N and segid B2WT ) (resid 28 and name HN and segid B2WT ) 57.2 32.8 122.8 32.8 ! excluded 0.272
assign (resid 25 and name N and segid B2WT ) (resid 25 and name HN and segid B2WT ) (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) 57.2 32.8 122.8 32.8 ! excluded 0.271
assign (resid 40 and name N and segid B2WT ) (resid 40 and name HN and segid B2WT ) (resid 91 and name N and segid B2WT ) (resid 91 and name HN and segid B2WT ) 57.2 32.8 122.8 32.8 ! excluded 0.271
assign (resid 30 and name N and segid B2WT ) (resid 30 and name HN and segid B2WT ) (resid 82 and name N and segid B2WT ) (resid 82 and name HN and segid B2WT ) 57.2 32.8 122.8 32.8 ! excluded 0.270
assign (resid 12 and name N and segid B2WT ) (resid 12 and name HN and segid B2WT ) (resid 84 and name N and segid B2WT ) (resid 84 and name HN and segid B2WT ) 57.2 32.8 122.8 32.8 ! excluded 0.270
assign (resid 16 and name N and segid B2WT ) (resid 16 and name HN and segid B2WT ) (resid 35 and name N and segid B2WT ) (resid 35 and name HN and segid B2WT ) 57.1 32.9 122.9 32.9 ! excluded 0.270
assign (resid 28 and name N and segid B2WT ) (resid 28 and name HN and segid B2WT ) (resid 35 and name N and segid B2WT ) (resid 35 and name HN and segid B2WT ) 57.1 32.9 122.9 32.9 ! excluded 0.270
assign (resid 65 and name N and segid B2WT ) (resid 65 and name HN and segid B2WT ) (resid 81 and name N and segid B2WT ) (resid 81 and name HN and segid B2WT ) 57.1 32.9 122.9 32.9 ! excluded 0.269
assign (resid 65 and name N and segid B2WT ) (resid 65 and name HN and segid B2WT ) (resid 96 and name N and segid B2WT ) (resid 96 and name HN and segid B2WT ) 57.1 32.9 122.9 32.9 ! excluded 0.269
assign (resid 58 and name N and segid B2WT ) (resid 58 and name HN and segid B2WT ) (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) 57.1 32.9 122.9 32.9 ! excluded 0.269
assign (resid 35 and name N and segid B2WT ) (resid 35 and name HN and segid B2WT ) (resid 84 and name N and segid B2WT ) (resid 84 and name HN and segid B2WT ) 57.1 32.9 122.9 32.9 ! excluded 0.268
assign (resid 59 and name N and segid B2WT ) (resid 59 and name HN and segid B2WT ) (resid 65 and name N and segid B2WT ) (resid 65 and name HN and segid B2WT ) 57.1 32.9 122.9 32.9 ! excluded 0.268
assign (resid 55 and name N and segid B2WT ) (resid 55 and name HN and segid B2WT ) (resid 80 and name N and segid B2WT ) (resid 80 and name HN and segid B2WT ) 57.1 32.9 122.9 32.9 ! excluded 0.268
assign (resid 3 and name N and segid B2WT ) (resid 3 and name HN and segid B2WT ) (resid 10 and name N and segid B2WT ) (resid 10 and name HN and segid B2WT ) 57.0 33.0 123.0 33.0 ! excluded 0.268
assign (resid 3 and name N and segid B2WT ) (resid 3 and name HN and segid B2WT ) (resid 67 and name N and segid B2WT ) (resid 67 and name HN and segid B2WT ) 57.0 33.0 123.0 33.0 ! excluded 0.268
assign (resid 10 and name N and segid B2WT ) (resid 10 and name HN and segid B2WT ) (resid 94 and name N and segid B2WT ) (resid 94 and name HN and segid B2WT ) 57.0 33.0 123.0 33.0 ! excluded 0.268
assign (resid 67 and name N and segid B2WT ) (resid 67 and name HN and segid B2WT ) (resid 94 and name N and segid B2WT ) (resid 94 and name HN and segid B2WT ) 57.0 33.0 123.0 33.0 ! excluded 0.268
assign (resid 50 and name N and segid B2WT ) (resid 50 and name HN and segid B2WT ) (resid 79 and name N and segid B2WT ) (resid 79 and name HN and segid B2WT ) 57.0 33.0 123.0 33.0 ! excluded 0.268
assign (resid 7 and name N and segid B2WT ) (resid 7 and name HN and segid B2WT ) (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) 57.0 33.0 123.0 33.0 ! excluded 0.267
assign (resid 43 and name N and segid B2WT ) (resid 43 and name HN and segid B2WT ) (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) 57.0 33.0 123.0 33.0 ! excluded 0.267
assign (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) (resid 83 and name N and segid B2WT ) (resid 83 and name HN and segid B2WT ) 57.0 33.0 123.0 33.0 ! excluded 0.267
assign (resid 36 and name N and segid B2WT ) (resid 36 and name HN and segid B2WT ) (resid 50 and name N and segid B2WT ) (resid 50 and name HN and segid B2WT ) 57.0 33.0 123.0 33.0 ! excluded 0.267
assign (resid 51 and name N and segid B2WT ) (resid 51 and name HN and segid B2WT ) (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) 57.0 33.0 123.0 33.0 ! excluded 0.267
assign (resid 52 and name N and segid B2WT ) (resid 52 and name HN and segid B2WT ) (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) 57.0 33.0 123.0 33.0 ! excluded 0.267
assign (resid 45 and name N and segid B2WT ) (resid 45 and name HN and segid B2WT ) (resid 86 and name N and segid B2WT ) (resid 86 and name HN and segid B2WT ) 57.0 33.0 123.0 33.0 ! excluded 0.266
assign (resid 13 and name N and segid B2WT ) (resid 13 and name HN and segid B2WT ) (resid 49 and name N and segid B2WT ) (resid 49 and name HN and segid B2WT ) 57.0 33.0 123.0 33.0 ! excluded 0.266
assign (resid 21 and name N and segid B2WT ) (resid 21 and name HN and segid B2WT ) (resid 80 and name N and segid B2WT ) (resid 80 and name HN and segid B2WT ) 57.0 33.0 123.0 33.0 ! excluded 0.266
assign (resid 16 and name N and segid B2WT ) (resid 16 and name HN and segid B2WT ) (resid 39 and name N and segid B2WT ) (resid 39 and name HN and segid B2WT ) 57.0 33.0 123.0 33.0 ! excluded 0.266
assign (resid 28 and name N and segid B2WT ) (resid 28 and name HN and segid B2WT ) (resid 39 and name N and segid B2WT ) (resid 39 and name HN and segid B2WT ) 57.0 33.0 123.0 33.0 ! excluded 0.266
assign (resid 13 and name N and segid B2WT ) (resid 13 and name HN and segid B2WT ) (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) 57.0 33.0 123.0 33.0 ! excluded 0.266
assign (resid 18 and name N and segid B2WT ) (resid 18 and name HN and segid B2WT ) (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) 57.0 33.0 123.0 33.0 ! excluded 0.266
assign (resid 19 and name N and segid B2WT ) (resid 19 and name HN and segid B2WT ) (resid 64 and name N and segid B2WT ) (resid 64 and name HN and segid B2WT ) 56.9 33.1 123.1 33.1 ! excluded 0.265
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) 34.0 33.1 146.0 33.1 ! excluded 0.265
assign (resid 39 and name N and segid B2WT ) (resid 39 and name HN and segid B2WT ) (resid 84 and name N and segid B2WT ) (resid 84 and name HN and segid B2WT ) 56.9 33.1 123.1 33.1 ! excluded 0.265
assign (resid 41 and name N and segid B2WT ) (resid 41 and name HN and segid B2WT ) (resid 73 and name N and segid B2WT ) (resid 73 and name HN and segid B2WT ) 56.9 33.1 123.1 33.1 ! excluded 0.264
assign (resid 6 and name N and segid B2WT ) (resid 6 and name HN and segid B2WT ) (resid 79 and name N and segid B2WT ) (resid 79 and name HN and segid B2WT ) 56.9 33.1 123.1 33.1 ! excluded 0.264
assign (resid 26 and name N and segid B2WT ) (resid 26 and name HN and segid B2WT ) (resid 79 and name N and segid B2WT ) (resid 79 and name HN and segid B2WT ) 56.9 33.1 123.1 33.1 ! excluded 0.264
assign (resid 71 and name N and segid B2WT ) (resid 71 and name HN and segid B2WT ) (resid 79 and name N and segid B2WT ) (resid 79 and name HN and segid B2WT ) 56.9 33.1 123.1 33.1 ! excluded 0.264
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) 36.2 33.1 143.8 33.1 ! excluded 0.264
assign (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) (resid 92 and name N and segid B2WT ) (resid 92 and name HN and segid B2WT ) 56.9 33.1 123.1 33.1 ! excluded 0.264
assign (resid 45 and name N and segid B2WT ) (resid 45 and name HN and segid B2WT ) (resid 77 and name N and segid B2WT ) (resid 77 and name HN and segid B2WT ) 56.8 33.2 123.2 33.2 ! excluded 0.263
assign (resid 6 and name N and segid B2WT ) (resid 6 and name HN and segid B2WT ) (resid 36 and name N and segid B2WT ) (resid 36 and name HN and segid B2WT ) 56.8 33.2 123.2 33.2 ! excluded 0.263
assign (resid 26 and name N and segid B2WT ) (resid 26 and name HN and segid B2WT ) (resid 36 and name N and segid B2WT ) (resid 36 and name HN and segid B2WT ) 56.8 33.2 123.2 33.2 ! excluded 0.263
assign (resid 36 and name N and segid B2WT ) (resid 36 and name HN and segid B2WT ) (resid 71 and name N and segid B2WT ) (resid 71 and name HN and segid B2WT ) 56.8 33.2 123.2 33.2 ! excluded 0.263
assign (resid 24 and name N and segid B2WT ) (resid 24 and name HN and segid B2WT ) (resid 80 and name N and segid B2WT ) (resid 80 and name HN and segid B2WT ) 56.8 33.2 123.2 33.2 ! excluded 0.263
assign (resid 38 and name N and segid B2WT ) (resid 38 and name HN and segid B2WT ) (resid 65 and name N and segid B2WT ) (resid 65 and name HN and segid B2WT ) 56.8 33.2 123.2 33.2 ! excluded 0.263
assign (resid 30 and name N and segid B2WT ) (resid 30 and name HN and segid B2WT ) (resid 64 and name N and segid B2WT ) (resid 64 and name HN and segid B2WT ) 56.8 33.2 123.2 33.2 ! excluded 0.262
assign (resid 10 and name N and segid B2WT ) (resid 10 and name HN and segid B2WT ) (resid 81 and name N and segid B2WT ) (resid 81 and name HN and segid B2WT ) 56.8 33.2 123.2 33.2 ! excluded 0.262
assign (resid 10 and name N and segid B2WT ) (resid 10 and name HN and segid B2WT ) (resid 96 and name N and segid B2WT ) (resid 96 and name HN and segid B2WT ) 56.8 33.2 123.2 33.2 ! excluded 0.262
assign (resid 67 and name N and segid B2WT ) (resid 67 and name HN and segid B2WT ) (resid 81 and name N and segid B2WT ) (resid 81 and name HN and segid B2WT ) 56.8 33.2 123.2 33.2 ! excluded 0.262
assign (resid 67 and name N and segid B2WT ) (resid 67 and name HN and segid B2WT ) (resid 96 and name N and segid B2WT ) (resid 96 and name HN and segid B2WT ) 56.8 33.2 123.2 33.2 ! excluded 0.262
assign (resid 45 and name N and segid B2WT ) (resid 45 and name HN and segid B2WT ) (resid 97 and name N and segid B2WT ) (resid 97 and name HN and segid B2WT ) 56.8 33.2 123.2 33.2 ! excluded 0.262
assign (resid 19 and name N and segid B2WT ) (resid 19 and name HN and segid B2WT ) (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) 39.8 33.2 140.2 33.2 ! excluded 0.262
assign (resid 33 and name N and segid B2WT ) (resid 33 and name HN and segid B2WT ) (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) 56.8 33.2 123.2 33.2 ! excluded 0.262
assign (resid 30 and name N and segid B2WT ) (resid 30 and name HN and segid B2WT ) (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) 40.0 33.2 140.0 33.2 ! excluded 0.262
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) 40.9 33.2 139.1 33.2 ! excluded 0.261
assign (resid 10 and name N and segid B2WT ) (resid 10 and name HN and segid B2WT ) (resid 59 and name N and segid B2WT ) (resid 59 and name HN and segid B2WT ) 56.8 33.2 123.2 33.2 ! excluded 0.261
assign (resid 59 and name N and segid B2WT ) (resid 59 and name HN and segid B2WT ) (resid 67 and name N and segid B2WT ) (resid 67 and name HN and segid B2WT ) 56.8 33.2 123.2 33.2 ! excluded 0.261
assign (resid 82 and name N and segid B2WT ) (resid 82 and name HN and segid B2WT ) (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) 56.7 33.3 123.3 33.3 ! excluded 0.261
assign (resid 3 and name N and segid B2WT ) (resid 3 and name HN and segid B2WT ) (resid 11 and name N and segid B2WT ) (resid 11 and name HN and segid B2WT ) 56.7 33.3 123.3 33.3 ! excluded 0.261
assign (resid 11 and name N and segid B2WT ) (resid 11 and name HN and segid B2WT ) (resid 94 and name N and segid B2WT ) (resid 94 and name HN and segid B2WT ) 56.7 33.3 123.3 33.3 ! excluded 0.261
assign (resid 40 and name N and segid B2WT ) (resid 40 and name HN and segid B2WT ) (resid 56 and name N and segid B2WT ) (resid 56 and name HN and segid B2WT ) 56.7 33.3 123.3 33.3 ! excluded 0.261
assign (resid 33 and name N and segid B2WT ) (resid 33 and name HN and segid B2WT ) (resid 49 and name N and segid B2WT ) (resid 49 and name HN and segid B2WT ) 56.7 33.3 123.3 33.3 ! excluded 0.260
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 73 and name N and segid B2WT ) (resid 73 and name HN and segid B2WT ) 44.2 33.3 135.8 33.3 ! excluded 0.260
assign (resid 12 and name N and segid B2WT ) (resid 12 and name HN and segid B2WT ) (resid 91 and name N and segid B2WT ) (resid 91 and name HN and segid B2WT ) 56.7 33.3 123.3 33.3 ! excluded 0.259
assign (resid 55 and name N and segid B2WT ) (resid 55 and name HN and segid B2WT ) (resid 79 and name N and segid B2WT ) (resid 79 and name HN and segid B2WT ) 56.6 33.4 123.4 33.4 ! excluded 0.259
assign (resid 75 and name N and segid B2WT ) (resid 75 and name HN and segid B2WT ) (resid 93 and name N and segid B2WT ) (resid 93 and name HN and segid B2WT ) 56.6 33.4 123.4 33.4 ! excluded 0.259
assign (resid 3 and name N and segid B2WT ) (resid 3 and name HN and segid B2WT ) (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) 46.0 33.4 134.0 33.4 ! excluded 0.258
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 94 and name N and segid B2WT ) (resid 94 and name HN and segid B2WT ) 46.0 33.4 134.0 33.4 ! excluded 0.258
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 81 and name N and segid B2WT ) (resid 81 and name HN and segid B2WT ) 46.6 33.4 133.4 33.4 ! excluded 0.258
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 96 and name N and segid B2WT ) (resid 96 and name HN and segid B2WT ) 46.6 33.4 133.4 33.4 ! excluded 0.258
assign (resid 42 and name N and segid B2WT ) (resid 42 and name HN and segid B2WT ) (resid 73 and name N and segid B2WT ) (resid 73 and name HN and segid B2WT ) 56.6 33.4 123.4 33.4 ! excluded 0.258
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 59 and name N and segid B2WT ) (resid 59 and name HN and segid B2WT ) 46.6 33.4 133.4 33.4 ! excluded 0.258
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 38 and name N and segid B2WT ) (resid 38 and name HN and segid B2WT ) 47.1 33.4 132.9 33.4 ! excluded 0.258
assign (resid 36 and name N and segid B2WT ) (resid 36 and name HN and segid B2WT ) (resid 55 and name N and segid B2WT ) (resid 55 and name HN and segid B2WT ) 56.6 33.4 123.4 33.4 ! excluded 0.258
assign (resid 35 and name N and segid B2WT ) (resid 35 and name HN and segid B2WT ) (resid 91 and name N and segid B2WT ) (resid 91 and name HN and segid B2WT ) 56.6 33.4 123.4 33.4 ! excluded 0.257
assign (resid 21 and name N and segid B2WT ) (resid 21 and name HN and segid B2WT ) (resid 79 and name N and segid B2WT ) (resid 79 and name HN and segid B2WT ) 56.6 33.4 123.4 33.4 ! excluded 0.257
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 40 and name N and segid B2WT ) (resid 40 and name HN and segid B2WT ) 48.5 33.4 131.5 33.4 ! excluded 0.257
assign (resid 13 and name N and segid B2WT ) (resid 13 and name HN and segid B2WT ) (resid 47 and name N and segid B2WT ) (resid 47 and name HN and segid B2WT ) 56.5 33.5 123.5 33.5 ! excluded 0.256
assign (resid 12 and name N and segid B2WT ) (resid 12 and name HN and segid B2WT ) (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) 49.6 33.5 130.4 33.5 ! excluded 0.256
assign (resid 21 and name N and segid B2WT ) (resid 21 and name HN and segid B2WT ) (resid 36 and name N and segid B2WT ) (resid 36 and name HN and segid B2WT ) 56.5 33.5 123.5 33.5 ! excluded 0.256
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 35 and name N and segid B2WT ) (resid 35 and name HN and segid B2WT ) 49.8 33.5 130.2 33.5 ! excluded 0.256
assign (resid 10 and name N and segid B2WT ) (resid 10 and name HN and segid B2WT ) (resid 38 and name N and segid B2WT ) (resid 38 and name HN and segid B2WT ) 56.5 33.5 123.5 33.5 ! excluded 0.256
assign (resid 38 and name N and segid B2WT ) (resid 38 and name HN and segid B2WT ) (resid 67 and name N and segid B2WT ) (resid 67 and name HN and segid B2WT ) 56.5 33.5 123.5 33.5 ! excluded 0.256
assign (resid 3 and name N and segid B2WT ) (resid 3 and name HN and segid B2WT ) (resid 76 and name N and segid B2WT ) (resid 76 and name HN and segid B2WT ) 56.5 33.5 123.5 33.5 ! excluded 0.256
assign (resid 76 and name N and segid B2WT ) (resid 76 and name HN and segid B2WT ) (resid 94 and name N and segid B2WT ) (resid 94 and name HN and segid B2WT ) 56.5 33.5 123.5 33.5 ! excluded 0.256
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 39 and name N and segid B2WT ) (resid 39 and name HN and segid B2WT ) 50.1 33.5 129.9 33.5 ! excluded 0.256
assign (resid 11 and name N and segid B2WT ) (resid 11 and name HN and segid B2WT ) (resid 81 and name N and segid B2WT ) (resid 81 and name HN and segid B2WT ) 56.5 33.5 123.5 33.5 ! excluded 0.255
assign (resid 11 and name N and segid B2WT ) (resid 11 and name HN and segid B2WT ) (resid 96 and name N and segid B2WT ) (resid 96 and name HN and segid B2WT ) 56.5 33.5 123.5 33.5 ! excluded 0.255
assign (resid 11 and name N and segid B2WT ) (resid 11 and name HN and segid B2WT ) (resid 59 and name N and segid B2WT ) (resid 59 and name HN and segid B2WT ) 56.5 33.5 123.5 33.5 ! excluded 0.255
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 80 and name N and segid B2WT ) (resid 80 and name HN and segid B2WT ) 51.7 33.6 128.3 33.6 ! excluded 0.254
assign (resid 19 and name N and segid B2WT ) (resid 19 and name HN and segid B2WT ) (resid 97 and name N and segid B2WT ) (resid 97 and name HN and segid B2WT ) 56.4 33.6 123.6 33.6 ! excluded 0.254
assign (resid 39 and name N and segid B2WT ) (resid 39 and name HN and segid B2WT ) (resid 91 and name N and segid B2WT ) (resid 91 and name HN and segid B2WT ) 56.4 33.6 123.6 33.6 ! excluded 0.254
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 79 and name N and segid B2WT ) (resid 79 and name HN and segid B2WT ) 52.5 33.6 127.5 33.6 ! excluded 0.254
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 36 and name N and segid B2WT ) (resid 36 and name HN and segid B2WT ) 52.6 33.6 127.4 33.6 ! excluded 0.254
assign (resid 24 and name N and segid B2WT ) (resid 24 and name HN and segid B2WT ) (resid 79 and name N and segid B2WT ) (resid 79 and name HN and segid B2WT ) 56.4 33.6 123.6 33.6 ! excluded 0.253
assign (resid 73 and name N and segid B2WT ) (resid 73 and name HN and segid B2WT ) (resid 98 and name N and segid B2WT ) (resid 98 and name HN and segid B2WT ) 56.4 33.6 123.6 33.6 ! excluded 0.253
assign (resid 19 and name N and segid B2WT ) (resid 19 and name HN and segid B2WT ) (resid 77 and name N and segid B2WT ) (resid 77 and name HN and segid B2WT ) 56.4 33.6 123.6 33.6 ! excluded 0.253
assign (resid 3 and name N and segid B2WT ) (resid 3 and name HN and segid B2WT ) (resid 69 and name N and segid B2WT ) (resid 69 and name HN and segid B2WT ) 56.4 33.6 123.6 33.6 ! excluded 0.253
assign (resid 69 and name N and segid B2WT ) (resid 69 and name HN and segid B2WT ) (resid 94 and name N and segid B2WT ) (resid 94 and name HN and segid B2WT ) 56.4 33.6 123.6 33.6 ! excluded 0.253
assign (resid 64 and name N and segid B2WT ) (resid 64 and name HN and segid B2WT ) (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) 56.4 33.6 123.6 33.6 ! excluded 0.253
assign (resid 24 and name N and segid B2WT ) (resid 24 and name HN and segid B2WT ) (resid 36 and name N and segid B2WT ) (resid 36 and name HN and segid B2WT ) 56.4 33.6 123.6 33.6 ! excluded 0.253
assign (resid 3 and name N and segid B2WT ) (resid 3 and name HN and segid B2WT ) (resid 89 and name N and segid B2WT ) (resid 89 and name HN and segid B2WT ) 56.3 33.7 123.7 33.7 ! excluded 0.252
assign (resid 3 and name N and segid B2WT ) (resid 3 and name HN and segid B2WT ) (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) 56.3 33.7 123.7 33.7 ! excluded 0.252
assign (resid 89 and name N and segid B2WT ) (resid 89 and name HN and segid B2WT ) (resid 94 and name N and segid B2WT ) (resid 94 and name HN and segid B2WT ) 56.3 33.7 123.7 33.7 ! excluded 0.252
assign (resid 94 and name N and segid B2WT ) (resid 94 and name HN and segid B2WT ) (resid 95 and name N and segid B2WT ) (resid 95 and name HN and segid B2WT ) 56.3 33.7 123.7 33.7 ! excluded 0.252
assign (resid 30 and name N and segid B2WT ) (resid 30 and name HN and segid B2WT ) (resid 97 and name N and segid B2WT ) (resid 97 and name HN and segid B2WT ) 56.3 33.7 123.7 33.7 ! excluded 0.251
assign (resid 45 and name N and segid B2WT ) (resid 45 and name HN and segid B2WT ) (resid 64 and name N and segid B2WT ) (resid 64 and name HN and segid B2WT ) 56.3 33.7 123.7 33.7 ! excluded 0.251
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 87 and name N and segid B2WT ) (resid 87 and name HN and segid B2WT ) 55.8 33.7 124.2 33.7 ! excluded 0.251
assign (resid 17 and name N and segid B2WT ) (resid 17 and name HN and segid B2WT ) (resid 73 and name N and segid B2WT ) (resid 73 and name HN and segid B2WT ) 56.3 33.7 123.7 33.7 ! excluded 0.251
assign (resid 34 and name N and segid B2WT ) (resid 34 and name HN and segid B2WT ) (resid 99 and name N and segid B2WT ) (resid 99 and name HN and segid B2WT ) 56.0 33.7 124.0 33.7 ! excluded 0.251



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HA   ILE   2           HA       ILE   2 -21.711  -8.973  -4.585
    2    HB   ILE   2           HB       ILE   2 -21.839  -6.911  -6.116
    3   HG12  ILE   2          HG12      ILE   2 -24.266  -6.090  -6.317
    4   HG13  ILE   2          HG13      ILE   2 -24.496  -6.718  -4.693
    5   HG21  ILE   2          HG21      ILE   2 -24.011  -8.994  -6.128
    6   HG22  ILE   2          HG22      ILE   2 -23.570  -7.982  -7.501
    7   HG23  ILE   2          HG23      ILE   2 -22.406  -9.132  -6.846
    8   HD11  ILE   2          HD11      ILE   2 -22.767  -5.205  -3.867
    9   HD12  ILE   2          HD12      ILE   2 -22.540  -4.577  -5.501
   10   HD13  ILE   2          HD13      ILE   2 -24.073  -4.331  -4.667
   11    H    GLN   3           H        GLN   3 -20.243  -6.878  -5.388
   12    HA   GLN   3           HA       GLN   3 -19.492  -4.999  -3.480
   13    HB2  GLN   3           HB2      GLN   3 -19.035  -7.347  -2.312
   14    HB3  GLN   3           HB3      GLN   3 -17.576  -7.290  -3.281
   15    HG2  GLN   3           HG2      GLN   3 -16.975  -6.407  -1.180
   16    HG3  GLN   3           HG3      GLN   3 -17.140  -5.014  -2.254
   17   HE21  GLN   3          HE21      GLN   3 -18.977  -3.667  -2.029
   18   HE22  GLN   3          HE22      GLN   3 -19.883  -3.642  -0.559
   19    H    ARG   4           H        ARG   4 -16.956  -4.525  -3.820
   20    HA   ARG   4           HA       ARG   4 -16.354  -4.914  -6.675
   21    HB2  ARG   4           HB2      ARG   4 -17.158  -2.720  -6.661
   22    HB3  ARG   4           HB3      ARG   4 -16.433  -2.361  -5.109
   23    HG2  ARG   4           HG2      ARG   4 -14.347  -1.930  -6.007
   24    HG3  ARG   4           HG3      ARG   4 -14.639  -2.944  -7.426
   25    HD2  ARG   4           HD2      ARG   4 -14.604  -0.414  -7.784
   26    HD3  ARG   4           HD3      ARG   4 -15.965  -1.308  -8.464
   27    HE   ARG   4           HE       ARG   4 -17.215  -0.558  -6.411
   28   HH11  ARG   4          HH11      ARG   4 -14.531   1.279  -7.711
   29   HH12  ARG   4          HH12      ARG   4 -15.117   2.797  -7.105
   30   HH21  ARG   4          HH21      ARG   4 -18.003   1.446  -5.629
   31   HH22  ARG   4          HH22      ARG   4 -17.090   2.902  -5.930
   32    H    THR   5           H        THR   5 -14.221  -5.198  -7.228
   33    HA   THR   5           HA       THR   5 -12.594  -6.202  -5.089
   34    HB   THR   5           HB       THR   5 -11.081  -7.021  -6.792
   35    HG1  THR   5           HG1      THR   5 -11.967  -4.923  -8.178
   36   HG21  THR   5          HG21      THR   5 -14.005  -7.361  -7.332
   37   HG22  THR   5          HG22      THR   5 -12.810  -8.120  -8.385
   38   HG23  THR   5          HG23      THR   5 -12.846  -8.509  -6.669

  No H/Q in entry =          38
  In of MODEL    1
    1    HA   PRO   6           HA       PRO   6 -10.429  -2.288  -4.669
    2    HB2  PRO   6           HB2      PRO   6  -8.818  -3.584  -2.631
    3    HB3  PRO   6           HB3      PRO   6  -9.999  -2.284  -2.454
    4    HG2  PRO   6           HG2      PRO   6 -10.371  -4.837  -1.516
    5    HG3  PRO   6           HG3      PRO   6 -11.693  -3.714  -1.925
    6    HD2  PRO   6           HD2      PRO   6 -10.607  -6.033  -3.479
    7    HD3  PRO   6           HD3      PRO   6 -12.272  -5.410  -3.365
    8    H    LYS   7           H        LYS   7  -8.642  -1.596  -5.662
    9    HA   LYS   7           HA       LYS   7  -6.874  -3.683  -6.732
   10    HB2  LYS   7           HB2      LYS   7  -8.193  -2.309  -8.355
   11    HB3  LYS   7           HB3      LYS   7  -7.375  -0.872  -7.764
   12    HG2  LYS   7           HG2      LYS   7  -5.240  -1.765  -8.542
   13    HG3  LYS   7           HG3      LYS   7  -6.061  -3.213  -9.129
   14    HD2  LYS   7           HD2      LYS   7  -5.702  -1.722 -10.979
   15    HD3  LYS   7           HD3      LYS   7  -7.428  -1.768 -10.620
   16    HE2  LYS   7           HE2      LYS   7  -6.739   0.508 -11.050
   17    HE3  LYS   7           HE3      LYS   7  -7.190   0.334  -9.352
   18    HZ1  LYS   7           HZ1      LYS   7  -4.397   0.226 -10.361
   19    HZ2  LYS   7           HZ2      LYS   7  -5.122   1.619  -9.717
   20    HZ3  LYS   7           HZ3      LYS   7  -4.893   0.252  -8.743
   21    H    ILE   8           H        ILE   8  -4.603  -3.147  -6.968
   22    HA   ILE   8           HA       ILE   8  -3.729  -1.738  -4.532
   23    HB   ILE   8           HB       ILE   8  -1.854  -3.489  -6.023
   24   HG12  ILE   8          HG12      ILE   8  -3.945  -4.809  -6.033
   25   HG13  ILE   8          HG13      ILE   8  -2.702  -5.535  -5.030
   26   HG21  ILE   8          HG21      ILE   8  -1.140  -2.317  -4.030
   27   HG22  ILE   8          HG22      ILE   8  -2.435  -3.067  -3.097
   28   HG23  ILE   8          HG23      ILE   8  -1.131  -4.058  -3.751
   29   HD11  ILE   8          HD11      ILE   8  -3.806  -4.585  -3.049
   30   HD12  ILE   8          HD12      ILE   8  -5.099  -3.994  -4.093
   31   HD13  ILE   8          HD13      ILE   8  -4.805  -5.729  -3.942
   32    H    GLN   9           H        GLN   9  -2.634   0.132  -4.782
   33    HA   GLN   9           HA       GLN   9  -0.723   0.210  -7.019
   34    HB2  GLN   9           HB2      GLN   9  -1.837   2.130  -7.553
   35    HB3  GLN   9           HB3      GLN   9  -2.392   2.401  -5.909
   36    HG2  GLN   9           HG2      GLN   9   0.466   2.660  -6.175
   37    HG3  GLN   9           HG3      GLN   9  -0.391   3.710  -7.305
   38   HE21  GLN   9          HE21      GLN   9   0.355   3.068  -3.992
   39   HE22  GLN   9          HE22      GLN   9  -0.351   4.517  -3.342
   40    H    VAL  10           H        VAL  10   1.333   0.425  -6.501
   41    HA   VAL  10           HA       VAL  10   2.068   1.194  -3.780
   42    HB   VAL  10           HB       VAL  10   3.521  -1.048  -5.158
   43   HG11  VAL  10          HG11      VAL  10   4.619   0.090  -3.297
   44   HG12  VAL  10          HG12      VAL  10   3.250  -0.296  -2.256
   45   HG13  VAL  10          HG13      VAL  10   4.252  -1.592  -2.908
   46   HG21  VAL  10          HG21      VAL  10   1.196  -1.779  -4.993
   47   HG22  VAL  10          HG22      VAL  10   2.266  -2.701  -3.942
   48   HG23  VAL  10          HG23      VAL  10   1.225  -1.449  -3.260
   49    H    TYR  11           H        TYR  11   3.486   2.824  -3.940
   50    HA   TYR  11           HA       TYR  11   5.668   2.688  -5.743
   51    HB2  TYR  11           HB2      TYR  11   5.220   4.591  -7.161
   52    HB3  TYR  11           HB3      TYR  11   3.874   3.475  -7.305
   53    HD1  TYR  11           HD1      TYR  11   4.946   6.662  -5.756
   54    HD2  TYR  11           HD2      TYR  11   1.647   4.188  -6.858
   55    HE1  TYR  11           HE1      TYR  11   3.410   8.518  -5.296
   56    HE2  TYR  11           HE2      TYR  11   0.109   6.038  -6.392
   57    HH   TYR  11           HH       TYR  11   0.049   8.115  -5.063
   58    H    SER  12           H        SER  12   6.984   4.736  -5.595
   59    HA   SER  12           HA       SER  12   7.127   5.404  -2.768
   60    HB2  SER  12           HB2      SER  12   9.175   4.716  -3.977
   61    HB3  SER  12           HB3      SER  12   8.981   6.085  -5.057
   62    HG   SER  12           HG       SER  12   9.911   7.293  -3.637
   63    H    ARG  13           H        ARG  13   6.652   7.327  -1.917
   64    HA   ARG  13           HA       ARG  13   4.832   8.968  -3.327
   65    HB2  ARG  13           HB2      ARG  13   4.903   8.705  -0.814
   66    HB3  ARG  13           HB3      ARG  13   6.371   9.665  -0.787
   67    HG2  ARG  13           HG2      ARG  13   3.844  10.831  -1.915
   68    HG3  ARG  13           HG3      ARG  13   4.128  10.767  -0.180
   69    HD2  ARG  13           HD2      ARG  13   6.069  11.978  -2.134
   70    HD3  ARG  13           HD3      ARG  13   4.818  12.898  -1.310
   71    HE   ARG  13           HE       ARG  13   7.283  11.915  -0.190
   72   HH11  ARG  13          HH11      ARG  13   4.036  13.024   0.502
   73   HH12  ARG  13          HH12      ARG  13   4.397  13.455   2.149
   74   HH21  ARG  13          HH21      ARG  13   7.778  12.508   1.950
   75   HH22  ARG  13          HH22      ARG  13   6.533  13.170   2.976
   76    H    HIS  14           H        HIS  14   8.252   9.280  -2.731
   77    HA   HIS  14           HA       HIS  14   8.332  11.426  -4.728
   78    HB2  HIS  14           HB2      HIS  14   9.674  11.288  -2.058
   79    HB3  HIS  14           HB3      HIS  14  10.530  12.094  -3.368
   80    HD2  HIS  14           HD2      HIS  14   7.284  13.209  -4.337
   81    HE1  HIS  14           HE1      HIS  14   8.091  15.636  -0.967
   82    HE2  HIS  14           HE2      HIS  14   6.534  15.249  -2.931

  No H/Q in entry =          82
  In of MODEL    1
    1    HA   PRO  15           HA       PRO  15  11.445   9.210  -7.034
    2    HB2  PRO  15           HB2      PRO  15  13.922  10.405  -6.431
    3    HB3  PRO  15           HB3      PRO  15  12.851  10.816  -7.784
    4    HG2  PRO  15           HG2      PRO  15  13.165  12.190  -5.125
    5    HG3  PRO  15           HG3      PRO  15  12.775  12.881  -6.735
    6    HD2  PRO  15           HD2      PRO  15  10.884  12.563  -4.830
    7    HD3  PRO  15           HD3      PRO  15  10.519  12.327  -6.566
    8    H    ALA  16           H        ALA  16  12.398   7.293  -6.677
    9    HA   ALA  16           HA       ALA  16  12.975   6.568  -3.931
   10    HB1  ALA  16           HB1      ALA  16  11.538   5.110  -5.248
   11    HB2  ALA  16           HB2      ALA  16  12.823   4.889  -6.435
   12    HB3  ALA  16           HB3      ALA  16  13.022   4.271  -4.795
   13    H    GLU  17           H        GLU  17  14.985   6.283  -3.144
   14    HA   GLU  17           HA       GLU  17  17.209   6.064  -5.041
   15    HB2  GLU  17           HB2      GLU  17  17.038   8.372  -4.202
   16    HB3  GLU  17           HB3      GLU  17  17.130   7.775  -2.548
   17    HG2  GLU  17           HG2      GLU  17  19.260   8.687  -3.316
   18    HG3  GLU  17           HG3      GLU  17  19.380   6.970  -2.934
   19    H    ASN  18           H        ASN  18  18.460   4.385  -4.658
   20    HA   ASN  18           HA       ASN  18  18.009   2.725  -2.356
   21    HB2  ASN  18           HB2      ASN  18  18.353   1.368  -4.161
   22    HB3  ASN  18           HB3      ASN  18  19.491   2.474  -4.928
   23   HD21  ASN  18          HD21      ASN  18  20.929   0.864  -5.420
   24   HD22  ASN  18          HD22      ASN  18  21.892   0.064  -4.232
   25    H    GLY  19           H        GLY  19  19.073   2.670  -0.553
   26    HA2  GLY  19           HA2      GLY  19  21.767   3.764  -0.292
   27    HA3  GLY  19           HA3      GLY  19  20.824   2.960   0.973
   28    H    LYS  20           H        LYS  20  18.490   4.665   0.235
   29    HA   LYS  20           HA       LYS  20  19.249   7.118   1.655
   30    HB2  LYS  20           HB2      LYS  20  19.220   7.184  -0.983
   31    HB3  LYS  20           HB3      LYS  20  17.481   7.231  -0.757
   32    HG2  LYS  20           HG2      LYS  20  18.314   9.445  -1.047
   33    HG3  LYS  20           HG3      LYS  20  17.730   9.259   0.607
   34    HD2  LYS  20           HD2      LYS  20  19.936   9.132   1.466
   35    HD3  LYS  20           HD3      LYS  20  20.621   8.916  -0.145
   36    HE2  LYS  20           HE2      LYS  20  19.222  11.415   0.809
   37    HE3  LYS  20           HE3      LYS  20  20.972  11.193   0.768
   38    HZ1  LYS  20           HZ1      LYS  20  20.798  10.823  -1.641
   39    HZ2  LYS  20           HZ2      LYS  20  19.138  11.149  -1.576
   40    HZ3  LYS  20           HZ3      LYS  20  20.256  12.367  -1.191
   41    H    SER  21           H        SER  21  17.455   8.158   2.630
   42    HA   SER  21           HA       SER  21  15.350   6.334   3.375
   43    HB2  SER  21           HB2      SER  21  15.929   9.181   4.175
   44    HB3  SER  21           HB3      SER  21  14.684   8.167   4.904
   45    HG   SER  21           HG       SER  21  16.727   8.226   6.060
   46    H    ASN  22           H        ASN  22  13.274   6.425   2.815
   47    HA   ASN  22           HA       ASN  22  12.323   8.591   1.092
   48    HB2  ASN  22           HB2      ASN  22  12.971   5.886   0.129
   49    HB3  ASN  22           HB3      ASN  22  11.303   6.338  -0.218
   50   HD21  ASN  22          HD21      ASN  22  10.910   8.098  -1.575
   51   HD22  ASN  22          HD22      ASN  22  12.126   8.733  -2.630
   52    H    PHE  23           H        PHE  23   9.885   7.953   0.439
   53    HA   PHE  23           HA       PHE  23   8.592   6.904   2.859
   54    HB2  PHE  23           HB2      PHE  23   7.865   9.343   1.226
   55    HB3  PHE  23           HB3      PHE  23   6.739   8.563   2.327
   56    HD1  PHE  23           HD1      PHE  23  10.182  10.016   2.314
   57    HD2  PHE  23           HD2      PHE  23   6.578   9.331   4.460
   58    HE1  PHE  23           HE1      PHE  23  11.037  11.380   4.179
   59    HE2  PHE  23           HE2      PHE  23   7.419  10.689   6.328
   60    HZ   PHE  23           HZ       PHE  23   9.657  11.703   6.194
   61    H    LEU  24           H        LEU  24   7.262   5.269   2.446
   62    HA   LEU  24           HA       LEU  24   6.703   4.515  -0.305
   63    HB2  LEU  24           HB2      LEU  24   7.086   3.176   2.097
   64    HB3  LEU  24           HB3      LEU  24   5.385   2.949   1.756
   65    HG   LEU  24           HG       LEU  24   7.722   2.111   0.014
   66   HD11  LEU  24          HD11      LEU  24   5.650   0.536   1.546
   67   HD12  LEU  24          HD12      LEU  24   6.863  -0.154   0.468
   68   HD13  LEU  24          HD13      LEU  24   7.363   0.677   1.943
   69   HD21  LEU  24          HD21      LEU  24   4.760   1.978  -0.524
   70   HD22  LEU  24          HD22      LEU  24   6.016   2.726  -1.518
   71   HD23  LEU  24          HD23      LEU  24   5.946   0.969  -1.352
   72    H    ASN  25           H        ASN  25   4.558   4.078  -1.052
   73    HA   ASN  25           HA       ASN  25   2.374   5.065   0.604
   74    HB2  ASN  25           HB2      ASN  25   2.882   7.024  -0.698
   75    HB3  ASN  25           HB3      ASN  25   2.913   6.089  -2.195
   76   HD21  ASN  25          HD21      ASN  25   0.967   7.611   0.210
   77   HD22  ASN  25          HD22      ASN  25  -0.545   7.460  -0.612
   78    H    CYS  26           H        CYS  26   0.748   3.717   0.588
   79    HA   CYS  26           HA       CYS  26   0.404   1.898  -1.700
   80    HB2  CYS  26           HB2      CYS  26   1.289   0.972   0.570
   81    HB3  CYS  26           HB3      CYS  26  -0.389   1.163   1.098
   82    H    TYR  27           H        TYR  27  -1.513   2.169  -2.685
   83    HA   TYR  27           HA       TYR  27  -3.609   3.620  -1.185
   84    HB2  TYR  27           HB2      TYR  27  -2.242   4.485  -3.474
   85    HB3  TYR  27           HB3      TYR  27  -3.785   3.896  -4.077
   86    HD1  TYR  27           HD1      TYR  27  -5.679   5.309  -4.013
   87    HD2  TYR  27           HD2      TYR  27  -2.323   6.184  -1.545
   88    HE1  TYR  27           HE1      TYR  27  -6.668   7.483  -3.448
   89    HE2  TYR  27           HE2      TYR  27  -3.311   8.362  -0.967
   90    HH   TYR  27           HH       TYR  27  -4.952   9.974  -2.028
   91    H    VAL  28           H        VAL  28  -4.950   1.986  -0.671
   92    HA   VAL  28           HA       VAL  28  -5.830   0.272  -2.891
   93    HB   VAL  28           HB       VAL  28  -6.619  -0.311  -0.073
   94   HG11  VAL  28          HG11      VAL  28  -5.992  -1.987  -2.491
   95   HG12  VAL  28          HG12      VAL  28  -6.475  -2.628  -0.920
   96   HG13  VAL  28          HG13      VAL  28  -7.592  -1.622  -1.842
   97   HG21  VAL  28          HG21      VAL  28  -3.911  -0.950  -1.239
   98   HG22  VAL  28          HG22      VAL  28  -4.247   0.046   0.180
   99   HG23  VAL  28          HG23      VAL  28  -4.579  -1.687   0.220
  100    H    SER  29           H        SER  29  -7.595   1.020  -3.854
  101    HA   SER  29           HA       SER  29  -9.858   1.821  -2.236
  102    HB2  SER  29           HB2      SER  29  -8.605   3.673  -4.272
  103    HB3  SER  29           HB3      SER  29 -10.199   3.907  -3.554
  104    HG   SER  29           HG       SER  29  -8.393   3.457  -1.623
  105    H    GLY  30           H        GLY  30 -11.829   2.130  -3.596
  106    HA2  GLY  30           HA2      GLY  30 -11.793   0.448  -5.998
  107    HA3  GLY  30           HA3      GLY  30 -13.163   1.402  -5.414
  108    H    PHE  31           H        PHE  31 -14.628   0.327  -3.920
  109    HA   PHE  31           HA       PHE  31 -14.607  -2.124  -3.150
  110    HB2  PHE  31           HB2      PHE  31 -13.381  -2.545  -1.140
  111    HB3  PHE  31           HB3      PHE  31 -12.264  -1.998  -2.386
  112    HD1  PHE  31           HD1      PHE  31 -14.076  -0.881   0.682
  113    HD2  PHE  31           HD2      PHE  31 -10.825  -0.241  -1.993
  114    HE1  PHE  31           HE1      PHE  31 -13.043   0.640   2.307
  115    HE2  PHE  31           HE2      PHE  31  -9.807   1.295  -0.376
  116    HZ   PHE  31           HZ       PHE  31 -10.895   1.716   1.784
  117    H    HIS  32           H        HIS  32 -15.436  -2.551  -0.791
  118    HA   HIS  32           HA       HIS  32 -16.531  -0.336   0.602
  119    HB2  HIS  32           HB2      HIS  32 -18.266  -0.475  -1.230
  120    HB3  HIS  32           HB3      HIS  32 -18.582  -2.149  -0.767
  121    HD2  HIS  32           HD2      HIS  32 -19.134   1.472   0.607
  122    HE1  HIS  32           HE1      HIS  32 -21.712  -1.227   2.597
  123    HE2  HIS  32           HE2      HIS  32 -20.940   1.186   2.452

  No H/Q in entry =         123
  In of MODEL    1
    1    HA   PRO  33           HA       PRO  33 -18.232  -0.349   2.531
    2    HB2  PRO  33           HB2      PRO  33 -17.953  -0.362   5.168
    3    HB3  PRO  33           HB3      PRO  33 -19.062  -1.478   4.361
    4    HG2  PRO  33           HG2      PRO  33 -16.307  -1.981   5.418
    5    HG3  PRO  33           HG3      PRO  33 -17.763  -2.979   5.578
    6    HD2  PRO  33           HD2      PRO  33 -15.790  -3.414   3.721
    7    HD3  PRO  33           HD3      PRO  33 -17.476  -3.931   3.517
    8    H    SER  34           H        SER  34 -17.407   1.177   4.687
    9    HA   SER  34           HA       SER  34 -15.318   2.768   3.823
   10    HB2  SER  34           HB2      SER  34 -15.215   3.674   6.142
   11    HB3  SER  34           HB3      SER  34 -16.879   3.484   5.573
   12    HG   SER  34           HG       SER  34 -15.491   1.614   7.217
   13    H    ASP  35           H        ASP  35 -14.853  -0.370   4.921
   14    HA   ASP  35           HA       ASP  35 -12.183   0.289   5.984
   15    HB2  ASP  35           HB2      ASP  35 -14.148  -1.795   6.938
   16    HB3  ASP  35           HB3      ASP  35 -12.443  -1.827   7.376
   17    H    ILE  36           H        ILE  36 -10.527  -0.622   5.080
   18    HA   ILE  36           HA       ILE  36 -10.709  -3.379   4.144
   19    HB   ILE  36           HB       ILE  36 -10.678  -1.797   2.099
   20   HG12  ILE  36          HG12      ILE  36  -8.772  -4.008   2.698
   21   HG13  ILE  36          HG13      ILE  36 -10.159  -4.014   1.625
   22   HG21  ILE  36          HG21      ILE  36  -7.864  -1.378   3.104
   23   HG22  ILE  36          HG22      ILE  36  -8.440  -0.923   1.498
   24   HG23  ILE  36          HG23      ILE  36  -9.109  -0.140   2.928
   25   HD11  ILE  36          HD11      ILE  36  -7.516  -2.678   1.079
   26   HD12  ILE  36          HD12      ILE  36  -8.051  -4.224   0.417
   27   HD13  ILE  36          HD13      ILE  36  -8.896  -2.741  -0.016
   28    H    GLU  37           H        GLU  37  -8.560  -4.449   4.362
   29    HA   GLU  37           HA       GLU  37  -6.860  -2.948   6.223
   30    HB2  GLU  37           HB2      GLU  37  -8.223  -4.939   7.132
   31    HB3  GLU  37           HB3      GLU  37  -7.130  -5.938   6.185
   32    HG2  GLU  37           HG2      GLU  37  -6.463  -5.751   8.555
   33    HG3  GLU  37           HG3      GLU  37  -5.229  -5.148   7.445
   34    H    VAL  38           H        VAL  38  -4.890  -2.622   5.523
   35    HA   VAL  38           HA       VAL  38  -3.733  -4.491   3.610
   36    HB   VAL  38           HB       VAL  38  -4.002  -3.091   1.902
   37   HG11  VAL  38          HG11      VAL  38  -4.604  -0.893   3.857
   38   HG12  VAL  38          HG12      VAL  38  -4.819  -0.797   2.108
   39   HG13  VAL  38          HG13      VAL  38  -5.765  -1.947   3.054
   40   HG21  VAL  38          HG21      VAL  38  -2.066  -1.288   3.369
   41   HG22  VAL  38          HG22      VAL  38  -1.644  -2.600   2.268
   42   HG23  VAL  38          HG23      VAL  38  -2.472  -1.167   1.653
   43    H    ASP  39           H        ASP  39  -1.658  -4.787   3.758
   44    HA   ASP  39           HA       ASP  39  -0.162  -3.352   5.858
   45    HB2  ASP  39           HB2      ASP  39  -0.675  -5.326   6.992
   46    HB3  ASP  39           HB3      ASP  39  -0.508  -6.323   5.558
   47    H    LEU  40           H        LEU  40   2.128  -3.355   5.634
   48    HA   LEU  40           HA       LEU  40   2.933  -3.621   2.825
   49    HB2  LEU  40           HB2      LEU  40   4.366  -2.060   4.961
   50    HB3  LEU  40           HB3      LEU  40   4.617  -1.989   3.226
   51    HG   LEU  40           HG       LEU  40   2.214  -0.965   4.732
   52   HD11  LEU  40          HD11      LEU  40   4.451   0.433   3.277
   53   HD12  LEU  40          HD12      LEU  40   3.015   1.224   3.927
   54   HD13  LEU  40          HD13      LEU  40   4.156   0.434   5.018
   55   HD21  LEU  40          HD21      LEU  40   2.804  -0.978   1.781
   56   HD22  LEU  40          HD22      LEU  40   1.462  -1.776   2.604
   57   HD23  LEU  40          HD23      LEU  40   1.540  -0.012   2.549
   58    H    LEU  41           H        LEU  41   4.669  -4.816   2.289
   59    HA   LEU  41           HA       LEU  41   5.708  -6.576   4.395
   60    HB2  LEU  41           HB2      LEU  41   5.663  -7.277   1.499
   61    HB3  LEU  41           HB3      LEU  41   5.794  -8.336   2.873
   62    HG   LEU  41           HG       LEU  41   3.288  -6.851   2.088
   63   HD11  LEU  41          HD11      LEU  41   4.069  -8.613   0.494
   64   HD12  LEU  41          HD12      LEU  41   3.935  -9.782   1.806
   65   HD13  LEU  41          HD13      LEU  41   2.495  -8.947   1.215
   66   HD21  LEU  41          HD21      LEU  41   3.792  -8.999   4.153
   67   HD22  LEU  41          HD22      LEU  41   3.426  -7.305   4.486
   68   HD23  LEU  41          HD23      LEU  41   2.215  -8.336   3.721
   69    H    LYS  42           H        LYS  42   7.592  -7.811   3.414
   70    HA   LYS  42           HA       LYS  42   9.551  -6.226   2.023
   71    HB2  LYS  42           HB2      LYS  42  10.215  -7.300   4.758
   72    HB3  LYS  42           HB3      LYS  42  11.280  -6.393   3.698
   73    HG2  LYS  42           HG2      LYS  42   9.723  -4.425   3.877
   74    HG3  LYS  42           HG3      LYS  42   8.769  -5.359   5.006
   75    HD2  LYS  42           HD2      LYS  42  11.721  -4.853   5.536
   76    HD3  LYS  42           HD3      LYS  42  10.444  -3.736   6.060
   77    HE2  LYS  42           HE2      LYS  42   9.371  -5.620   7.270
   78    HE3  LYS  42           HE3      LYS  42  10.738  -6.639   6.824
   79    HZ1  LYS  42           HZ1      LYS  42  12.193  -5.074   8.017
   80    HZ2  LYS  42           HZ2      LYS  42  10.833  -4.193   8.504
   81    HZ3  LYS  42           HZ3      LYS  42  11.043  -5.788   9.038
   82    H    ASN  43           H        ASN  43   9.745  -7.689   0.504
   83    HA   ASN  43           HA       ASN  43  10.300  -9.581  -0.615
   84    HB2  ASN  43           HB2      ASN  43  11.590 -10.401   1.999
   85    HB3  ASN  43           HB3      ASN  43  11.853 -11.211   0.457
   86   HD21  ASN  43          HD21      ASN  43  12.494  -8.405   2.373
   87   HD22  ASN  43          HD22      ASN  43  13.725  -7.726   1.374
   88    H    GLY  44           H        GLY  44   8.435  -9.753   2.206
   89    HA2  GLY  44           HA2      GLY  44   7.580 -12.494   1.865
   90    HA3  GLY  44           HA3      GLY  44   6.413 -11.290   1.329
   91    H    GLU  45           H        GLU  45   8.207 -10.030   3.811
   92    HA   GLU  45           HA       GLU  45   6.521 -11.202   5.896
   93    HB2  GLU  45           HB2      GLU  45   9.240  -9.942   6.054
   94    HB3  GLU  45           HB3      GLU  45   8.407 -10.790   7.359
   95    HG2  GLU  45           HG2      GLU  45   9.220 -11.982   4.727
   96    HG3  GLU  45           HG3      GLU  45  10.090 -12.160   6.229
   97    H    ARG  46           H        ARG  46   5.754  -9.874   7.587
   98    HA   ARG  46           HA       ARG  46   4.663  -7.460   6.598
   99    HB2  ARG  46           HB2      ARG  46   3.541  -9.071   8.182
  100    HB3  ARG  46           HB3      ARG  46   4.612  -8.470   9.447
  101    HG2  ARG  46           HG2      ARG  46   3.638  -6.271   9.282
  102    HG3  ARG  46           HG3      ARG  46   2.704  -6.751   7.879
  103    HD2  ARG  46           HD2      ARG  46   1.267  -8.120   9.164
  104    HD3  ARG  46           HD3      ARG  46   2.354  -8.063  10.564
  105    HE   ARG  46           HE       ARG  46   1.436  -5.476   9.754
  106   HH11  ARG  46          HH11      ARG  46   0.475  -8.337  11.532
  107   HH12  ARG  46          HH12      ARG  46  -0.535  -7.458  12.645
  108   HH21  ARG  46          HH21      ARG  46   0.112  -4.330  11.169
  109   HH22  ARG  46          HH22      ARG  46  -0.732  -5.160  12.442
  110    H    ILE  47           H        ILE  47   5.025  -5.346   7.083
  111    HA   ILE  47           HA       ILE  47   7.432  -4.638   8.598
  112    HB   ILE  47           HB       ILE  47   5.581  -2.876   6.972
  113   HG12  ILE  47          HG12      ILE  47   8.343  -3.850   6.271
  114   HG13  ILE  47          HG13      ILE  47   6.862  -4.530   5.598
  115   HG21  ILE  47          HG21      ILE  47   6.741  -1.673   8.757
  116   HG22  ILE  47          HG22      ILE  47   8.287  -2.285   8.172
  117   HG23  ILE  47          HG23      ILE  47   7.336  -1.185   7.170
  118   HD11  ILE  47          HD11      ILE  47   7.782  -1.676   5.296
  119   HD12  ILE  47          HD12      ILE  47   7.892  -2.930   4.061
  120   HD13  ILE  47          HD13      ILE  47   6.318  -2.371   4.610
  121    H    GLU  48           H        GLU  48   7.318  -3.490  10.531
  122    HA   GLU  48           HA       GLU  48   4.643  -3.329  11.660
  123    HB2  GLU  48           HB2      GLU  48   5.968  -2.982  13.827
  124    HB3  GLU  48           HB3      GLU  48   5.981  -4.575  13.089
  125    HG2  GLU  48           HG2      GLU  48   8.158  -2.562  12.720
  126    HG3  GLU  48           HG3      GLU  48   8.161  -3.753  14.006
  127    H    LYS  49           H        LYS  49   7.462  -1.203  11.099
  128    HA   LYS  49           HA       LYS  49   6.466   1.069  12.329
  129    HB2  LYS  49           HB2      LYS  49   8.302   0.746   9.972
  130    HB3  LYS  49           HB3      LYS  49   8.042   2.264  10.827
  131    HG2  LYS  49           HG2      LYS  49   8.722   0.000  12.537
  132    HG3  LYS  49           HG3      LYS  49   9.981   0.484  11.399
  133    HD2  LYS  49           HD2      LYS  49   9.972   2.711  12.267
  134    HD3  LYS  49           HD3      LYS  49   8.509   2.397  13.196
  135    HE2  LYS  49           HE2      LYS  49   9.806   0.747  14.551
  136    HE3  LYS  49           HE3      LYS  49  11.264   1.261  13.700
  137    HZ1  LYS  49           HZ1      LYS  49  10.870   3.522  14.518
  138    HZ2  LYS  49           HZ2      LYS  49   9.526   2.979  15.390
  139    HZ3  LYS  49           HZ3      LYS  49  11.071   2.415  15.787
  140    H    VAL  50           H        VAL  50   4.976  -0.450   9.811
  141    HA   VAL  50           HA       VAL  50   4.196   1.652   8.129
  142    HB   VAL  50           HB       VAL  50   2.544  -0.756   8.906
  143   HG11  VAL  50          HG11      VAL  50   1.279   1.069   7.828
  144   HG12  VAL  50          HG12      VAL  50   2.394   1.003   6.458
  145   HG13  VAL  50          HG13      VAL  50   1.365  -0.382   6.823
  146   HG21  VAL  50          HG21      VAL  50   4.728  -1.405   8.045
  147   HG22  VAL  50          HG22      VAL  50   3.454  -1.793   6.893
  148   HG23  VAL  50          HG23      VAL  50   4.480  -0.385   6.626
  149    H    GLU  51           H        GLU  51   2.755   3.258   8.327
  150    HA   GLU  51           HA       GLU  51   0.907   3.184  10.593
  151    HB2  GLU  51           HB2      GLU  51   2.486   5.629   9.763
  152    HB3  GLU  51           HB3      GLU  51   1.276   5.552  11.043
  153    HG2  GLU  51           HG2      GLU  51   2.694   3.978  12.269
  154    HG3  GLU  51           HG3      GLU  51   3.919   4.118  11.009
  155    H    HIS  52           H        HIS  52  -1.036   4.027  10.214
  156    HA   HIS  52           HA       HIS  52  -1.609   4.919   7.473
  157    HB2  HIS  52           HB2      HIS  52  -4.011   4.318   8.040
  158    HB3  HIS  52           HB3      HIS  52  -2.894   2.978   7.857
  159    HD2  HIS  52           HD2      HIS  52  -1.996   1.941  10.476
  160    HE1  HIS  52           HE1      HIS  52  -5.604   3.193  12.287
  161    HE2  HIS  52           HE2      HIS  52  -3.647   1.586  12.436
  162    H    SER  53           H        SER  53  -2.306   6.903   7.136
  163    HA   SER  53           HA       SER  53  -2.500   8.717   9.372
  164    HB2  SER  53           HB2      SER  53  -2.909  10.404   7.443
  165    HB3  SER  53           HB3      SER  53  -1.345   9.580   7.450
  166    HG   SER  53           HG       SER  53  -3.256   9.562   5.568
  167    H    ASP  54           H        ASP  54  -4.327  10.493   9.001
  168    HA   ASP  54           HA       ASP  54  -6.719   9.417   9.865
  169    HB2  ASP  54           HB2      ASP  54  -6.096  11.775  10.130
  170    HB3  ASP  54           HB3      ASP  54  -6.277  12.024   8.398
  171    H    LEU  55           H        LEU  55  -8.317   8.415   8.957
  172    HA   LEU  55           HA       LEU  55  -8.257   6.946   6.775
  173    HB2  LEU  55           HB2      LEU  55 -10.122   7.197   8.551
  174    HB3  LEU  55           HB3      LEU  55 -10.884   8.259   7.391
  175    HG   LEU  55           HG       LEU  55 -11.643   5.808   7.491
  176   HD11  LEU  55          HD11      LEU  55 -12.276   7.366   5.696
  177   HD12  LEU  55          HD12      LEU  55 -10.832   6.889   4.802
  178   HD13  LEU  55          HD13      LEU  55 -12.098   5.705   5.133
  179   HD21  LEU  55          HD21      LEU  55  -9.411   4.818   7.528
  180   HD22  LEU  55          HD22      LEU  55 -10.366   4.235   6.163
  181   HD23  LEU  55          HD23      LEU  55  -9.110   5.445   5.907
  182    H    SER  56           H        SER  56 -10.777   9.287   6.169
  183    HA   SER  56           HA       SER  56  -9.665  10.950   4.282
  184    HB2  SER  56           HB2      SER  56  -9.100   8.836   3.052
  185    HB3  SER  56           HB3      SER  56 -10.821   8.476   2.958
  186    HG   SER  56           HG       SER  56  -9.594  10.815   1.894
  187    H    PHE  57           H        PHE  57 -11.388  11.739   2.694
  188    HA   PHE  57           HA       PHE  57 -14.112  10.960   3.349
  189    HB2  PHE  57           HB2      PHE  57 -13.754  12.900   4.811
  190    HB3  PHE  57           HB3      PHE  57 -13.222  13.860   3.434
  191    HD1  PHE  57           HD1      PHE  57 -14.757  15.083   2.190
  192    HD2  PHE  57           HD2      PHE  57 -16.146  11.970   4.740
  193    HE1  PHE  57           HE1      PHE  57 -17.078  15.764   1.749
  194    HE2  PHE  57           HE2      PHE  57 -18.472  12.648   4.304
  195    HZ   PHE  57           HZ       PHE  57 -18.939  14.545   2.805
  196    H    SER  58           H        SER  58 -14.832  10.316   1.445
  197    HA   SER  58           HA       SER  58 -14.079  11.859  -0.936
  198    HB2  SER  58           HB2      SER  58 -14.817   9.800  -2.181
  199    HB3  SER  58           HB3      SER  58 -13.432   9.544  -1.123
  200    HG   SER  58           HG       SER  58 -15.642   8.183  -1.142
  201    H    LYS  59           H        LYS  59 -15.575  12.996  -1.971
  202    HA   LYS  59           HA       LYS  59 -18.159  13.314  -0.862
  203    HB2  LYS  59           HB2      LYS  59 -18.543  14.962  -2.511
  204    HB3  LYS  59           HB3      LYS  59 -16.827  15.060  -2.146
  205    HG2  LYS  59           HG2      LYS  59 -16.322  13.785  -4.165
  206    HG3  LYS  59           HG3      LYS  59 -18.047  13.680  -4.530
  207    HD2  LYS  59           HD2      LYS  59 -18.050  16.229  -4.489
  208    HD3  LYS  59           HD3      LYS  59 -16.290  16.127  -4.507
  209    HE2  LYS  59           HE2      LYS  59 -17.008  16.428  -6.759
  210    HE3  LYS  59           HE3      LYS  59 -16.477  14.755  -6.606
  211    HZ1  LYS  59           HZ1      LYS  59 -19.021  14.393  -6.103
  212    HZ2  LYS  59           HZ2      LYS  59 -19.180  15.832  -6.980
  213    HZ3  LYS  59           HZ3      LYS  59 -18.453  14.478  -7.699
  214    H    ASP  60           H        ASP  60 -16.992  11.549  -3.722
  215    HA   ASP  60           HA       ASP  60 -19.651  10.319  -3.932
  216    HB2  ASP  60           HB2      ASP  60 -19.400  12.126  -5.624
  217    HB3  ASP  60           HB3      ASP  60 -17.997  11.284  -6.271
  218    H    TRP  61           H        TRP  61 -16.241  10.186  -4.864
  219    HA   TRP  61           HA       TRP  61 -16.458   7.573  -5.996
  220    HB2  TRP  61           HB2      TRP  61 -13.911   9.002  -5.214
  221    HB3  TRP  61           HB3      TRP  61 -14.100   7.719  -6.405
  222    HD1  TRP  61           HD1      TRP  61 -13.603  11.277  -6.294
  223    HE1  TRP  61           HE1      TRP  61 -14.391  12.443  -8.450
  224    HE3  TRP  61           HE3      TRP  61 -16.428   7.500  -8.257
  225    HZ2  TRP  61           HZ2      TRP  61 -15.997  11.844 -10.672
  226    HZ3  TRP  61           HZ3      TRP  61 -17.566   7.865 -10.402
  227    HH2  TRP  61           HH2      TRP  61 -17.350  10.024 -11.600
  228    H    SER  62           H        SER  62 -14.514   6.027  -5.234
  229    HA   SER  62           HA       SER  62 -15.359   4.811  -2.887
  230    HB2  SER  62           HB2      SER  62 -12.669   4.651  -4.283
  231    HB3  SER  62           HB3      SER  62 -13.218   3.513  -3.044
  232    HG   SER  62           HG       SER  62 -14.584   4.035  -5.487
  233    H    PHE  63           H        PHE  63 -14.721   4.869  -0.796
  234    HA   PHE  63           HA       PHE  63 -13.379   7.179   0.205
  235    HB2  PHE  63           HB2      PHE  63 -13.749   4.693   1.848
  236    HB3  PHE  63           HB3      PHE  63 -13.928   6.376   2.328
  237    HD1  PHE  63           HD1      PHE  63 -16.035   7.523   2.082
  238    HD2  PHE  63           HD2      PHE  63 -15.537   3.537   0.642
  239    HE1  PHE  63           HE1      PHE  63 -18.484   7.297   1.850
  240    HE2  PHE  63           HE2      PHE  63 -17.978   3.314   0.404
  241    HZ   PHE  63           HZ       PHE  63 -19.448   5.196   1.008
  242    H    TYR  64           H        TYR  64 -11.247   7.423   0.663
  243    HA   TYR  64           HA       TYR  64  -9.556   5.233  -0.250
  244    HB2  TYR  64           HB2      TYR  64  -8.509   7.972   0.403
  245    HB3  TYR  64           HB3      TYR  64  -7.924   6.811  -0.790
  246    HD1  TYR  64           HD1      TYR  64  -8.934   6.679  -3.005
  247    HD2  TYR  64           HD2      TYR  64 -10.377   9.448  -0.114
  248    HE1  TYR  64           HE1      TYR  64 -10.166   7.881  -4.771
  249    HE2  TYR  64           HE2      TYR  64 -11.608  10.650  -1.867
  250    HH   TYR  64           HH       TYR  64 -12.053   9.363  -5.010
  251    H    LEU  65           H        LEU  65  -7.932   4.356   0.961
  252    HA   LEU  65           HA       LEU  65  -7.479   5.422   3.651
  253    HB2  LEU  65           HB2      LEU  65  -8.924   3.683   4.177
  254    HB3  LEU  65           HB3      LEU  65  -8.304   2.630   2.929
  255    HG   LEU  65           HG       LEU  65  -6.439   3.284   5.147
  256   HD11  LEU  65          HD11      LEU  65  -8.733   2.949   6.160
  257   HD12  LEU  65          HD12      LEU  65  -8.666   1.307   5.528
  258   HD13  LEU  65          HD13      LEU  65  -7.472   1.848   6.705
  259   HD21  LEU  65          HD21      LEU  65  -5.854   1.783   3.285
  260   HD22  LEU  65          HD22      LEU  65  -5.850   0.951   4.841
  261   HD23  LEU  65          HD23      LEU  65  -7.200   0.734   3.728
  262    H    LEU  66           H        LEU  66  -5.382   5.508   4.278
  263    HA   LEU  66           HA       LEU  66  -3.481   4.775   2.155
  264    HB2  LEU  66           HB2      LEU  66  -4.055   7.251   3.033
  265    HB3  LEU  66           HB3      LEU  66  -2.807   6.832   4.180
  266    HG   LEU  66           HG       LEU  66  -2.467   6.875   1.187
  267   HD11  LEU  66          HD11      LEU  66  -1.602   8.821   3.326
  268   HD12  LEU  66          HD12      LEU  66  -1.007   8.850   1.671
  269   HD13  LEU  66          HD13      LEU  66  -2.717   9.124   1.999
  270   HD21  LEU  66          HD21      LEU  66  -0.437   6.420   3.362
  271   HD22  LEU  66          HD22      LEU  66  -0.990   5.242   2.175
  272   HD23  LEU  66          HD23      LEU  66  -0.063   6.652   1.651
  273    H    TYR  67           H        TYR  67  -1.849   3.458   2.626
  274    HA   TYR  67           HA       TYR  67  -0.984   3.220   5.435
  275    HB2  TYR  67           HB2      TYR  67  -1.670   1.064   3.515
  276    HB3  TYR  67           HB3      TYR  67  -0.277   0.806   4.557
  277    HD1  TYR  67           HD1      TYR  67  -3.897   0.894   4.372
  278    HD2  TYR  67           HD2      TYR  67  -0.568   0.792   7.032
  279    HE1  TYR  67           HE1      TYR  67  -5.346   0.089   6.156
  280    HE2  TYR  67           HE2      TYR  67  -2.041   0.010   8.844
  281    HH   TYR  67           HH       TYR  67  -5.047  -1.245   8.350
  282    H    TYR  68           H        TYR  68   1.011   3.941   5.685
  283    HA   TYR  68           HA       TYR  68   2.922   3.523   3.491
  284    HB2  TYR  68           HB2      TYR  68   3.737   5.829   3.653
  285    HB3  TYR  68           HB3      TYR  68   2.025   5.804   3.237
  286    HD1  TYR  68           HD1      TYR  68   4.496   6.699   5.782
  287    HD2  TYR  68           HD2      TYR  68   0.351   6.593   4.831
  288    HE1  TYR  68           HE1      TYR  68   4.038   8.256   7.627
  289    HE2  TYR  68           HE2      TYR  68  -0.121   8.157   6.673
  290    HH   TYR  68           HH       TYR  68   2.358   9.846   8.322
  291    H    THR  69           H        THR  69   5.185   3.958   4.124
  292    HA   THR  69           HA       THR  69   5.774   3.981   6.967
  293    HB   THR  69           HB       THR  69   5.424   1.563   6.472
  294    HG1  THR  69           HG1      THR  69   8.172   2.138   6.961
  295   HG21  THR  69          HG21      THR  69   7.718   1.977   4.556
  296   HG22  THR  69          HG22      THR  69   7.177   0.397   5.120
  297   HG23  THR  69          HG23      THR  69   6.090   1.414   4.171
  298    H    GLU  70           H        GLU  70   7.881   4.582   7.422
  299    HA   GLU  70           HA       GLU  70   9.371   5.807   5.243
  300    HB2  GLU  70           HB2      GLU  70   9.016   6.933   7.474
  301    HB3  GLU  70           HB3      GLU  70  10.006   5.682   8.210
  302    HG2  GLU  70           HG2      GLU  70  11.875   6.417   6.718
  303    HG3  GLU  70           HG3      GLU  70  10.859   7.770   6.232
  304    H    PHE  71           H        PHE  71  11.208   4.927   4.368
  305    HA   PHE  71           HA       PHE  71  12.394   2.601   5.620
  306    HB2  PHE  71           HB2      PHE  71  12.071   1.090   3.750
  307    HB3  PHE  71           HB3      PHE  71  10.509   1.634   4.343
  308    HD1  PHE  71           HD1      PHE  71  10.817   4.411   2.875
  309    HD2  PHE  71           HD2      PHE  71  11.147   0.352   1.678
  310    HE1  PHE  71           HE1      PHE  71  10.179   5.041   0.585
  311    HE2  PHE  71           HE2      PHE  71  10.495   0.956  -0.612
  312    HZ   PHE  71           HZ       PHE  71  10.027   3.315  -1.178
  313    H    THR  72           H        THR  72  14.382   1.911   4.537
  314    HA   THR  72           HA       THR  72  15.519   3.980   2.781
  315    HB   THR  72           HB       THR  72  17.018   2.134   4.649
  316    HG1  THR  72           HG1      THR  72  15.801   4.601   5.029
  317   HG21  THR  72          HG21      THR  72  17.936   4.559   3.086
  318   HG22  THR  72          HG22      THR  72  18.918   3.631   4.220
  319   HG23  THR  72          HG23      THR  72  18.352   2.880   2.729

  No H/Q in entry =         319
  In of MODEL    1
    1    HA   PRO  73           HA       PRO  73  14.891   0.250   0.083
    2    HB2  PRO  73           HB2      PRO  73  15.557   1.858  -2.149
    3    HB3  PRO  73           HB3      PRO  73  13.925   1.440  -1.603
    4    HG2  PRO  73           HG2      PRO  73  15.531   3.896  -1.101
    5    HG3  PRO  73           HG3      PRO  73  13.780   3.736  -1.345
    6    HD2  PRO  73           HD2      PRO  73  14.785   4.158   1.087
    7    HD3  PRO  73           HD3      PRO  73  13.421   3.036   0.855
    8    H    THR  74           H        THR  74  16.288  -1.065  -0.863
    9    HA   THR  74           HA       THR  74  19.018  -0.181  -1.366
   10    HB   THR  74           HB       THR  74  19.948  -2.202  -0.338
   11    HG1  THR  74           HG1      THR  74  18.121  -3.122   1.241
   12   HG21  THR  74          HG21      THR  74  19.786  -0.185   1.051
   13   HG22  THR  74          HG22      THR  74  18.184  -0.690   1.585
   14   HG23  THR  74          HG23      THR  74  19.598  -1.649   2.021
   15    H    GLU  75           H        GLU  75  20.192  -1.852  -2.671
   16    HA   GLU  75           HA       GLU  75  18.641  -2.678  -4.891
   17    HB2  GLU  75           HB2      GLU  75  21.257  -2.217  -4.497
   18    HB3  GLU  75           HB3      GLU  75  21.275  -3.961  -4.380
   19    HG2  GLU  75           HG2      GLU  75  21.748  -3.480  -6.598
   20    HG3  GLU  75           HG3      GLU  75  20.056  -3.928  -6.573
   21    H    LYS  76           H        LYS  76  19.919  -4.307  -2.095
   22    HA   LYS  76           HA       LYS  76  19.368  -6.937  -3.027
   23    HB2  LYS  76           HB2      LYS  76  20.269  -5.858  -0.363
   24    HB3  LYS  76           HB3      LYS  76  20.164  -7.567  -0.752
   25    HG2  LYS  76           HG2      LYS  76  22.083  -7.543  -1.918
   26    HG3  LYS  76           HG3      LYS  76  21.718  -5.987  -2.670
   27    HD2  LYS  76           HD2      LYS  76  22.398  -4.814  -0.688
   28    HD3  LYS  76           HD3      LYS  76  22.628  -6.332   0.184
   29    HE2  LYS  76           HE2      LYS  76  24.396  -6.934  -1.460
   30    HE3  LYS  76           HE3      LYS  76  24.213  -5.337  -2.187
   31    HZ1  LYS  76           HZ1      LYS  76  24.816  -4.355  -0.041
   32    HZ2  LYS  76           HZ2      LYS  76  25.032  -5.900   0.617
   33    HZ3  LYS  76           HZ3      LYS  76  26.047  -5.361  -0.627
   34    H    ASP  77           H        ASP  77  17.654  -4.669  -0.897
   35    HA   ASP  77           HA       ASP  77  15.939  -6.897  -0.005
   36    HB2  ASP  77           HB2      ASP  77  16.894  -4.903   1.510
   37    HB3  ASP  77           HB3      ASP  77  15.384  -4.153   0.988
   38    H    GLU  78           H        GLU  78  13.490  -5.916   0.385
   39    HA   GLU  78           HA       GLU  78  12.505  -4.569  -1.941
   40    HB2  GLU  78           HB2      GLU  78  12.997  -6.693  -3.017
   41    HB3  GLU  78           HB3      GLU  78  12.258  -7.585  -1.708
   42    HG2  GLU  78           HG2      GLU  78  10.454  -5.769  -3.237
   43    HG3  GLU  78           HG3      GLU  78  11.084  -7.187  -4.064
   44    H    TYR  79           H        TYR  79  10.334  -3.997  -1.637
   45    HA   TYR  79           HA       TYR  79   9.082  -4.997   0.800
   46    HB2  TYR  79           HB2      TYR  79   8.681  -2.120  -0.025
   47    HB3  TYR  79           HB3      TYR  79   8.383  -2.885   1.539
   48    HD1  TYR  79           HD1      TYR  79   9.819  -2.400   3.257
   49    HD2  TYR  79           HD2      TYR  79  11.285  -2.167  -0.732
   50    HE1  TYR  79           HE1      TYR  79  11.979  -1.569   4.102
   51    HE2  TYR  79           HE2      TYR  79  13.447  -1.354   0.106
   52    HH   TYR  79           HH       TYR  79  14.463  -1.659   3.162
   53    H    ALA  80           H        ALA  80   6.783  -4.900   0.832
   54    HA   ALA  80           HA       ALA  80   5.575  -4.833  -1.862
   55    HB1  ALA  80           HB1      ALA  80   6.422  -7.157  -1.176
   56    HB2  ALA  80           HB2      ALA  80   4.773  -7.012  -1.794
   57    HB3  ALA  80           HB3      ALA  80   5.052  -7.160  -0.065
   58    H    CYS  81           H        CYS  81   3.144  -5.003  -1.813
   59    HA   CYS  81           HA       CYS  81   2.025  -3.994   0.725
   60    HB2  CYS  81           HB2      CYS  81   1.548  -3.326  -2.134
   61    HB3  CYS  81           HB3      CYS  81   0.154  -3.308  -1.066
   62    H    ARG  82           H        ARG  82   0.440  -5.219   1.623
   63    HA   ARG  82           HA       ARG  82  -0.819  -7.341  -0.029
   64    HB2  ARG  82           HB2      ARG  82   0.676  -7.895   2.062
   65    HB3  ARG  82           HB3      ARG  82  -0.754  -7.380   2.950
   66    HG2  ARG  82           HG2      ARG  82  -2.093  -9.066   1.752
   67    HG3  ARG  82           HG3      ARG  82  -0.601  -9.636   0.978
   68    HD2  ARG  82           HD2      ARG  82  -1.059  -9.533   3.958
   69    HD3  ARG  82           HD3      ARG  82  -1.214 -10.977   2.973
   70    HE   ARG  82           HE       ARG  82   1.339  -9.752   2.669
   71   HH11  ARG  82          HH11      ARG  82  -0.561 -11.817   4.765
   72   HH12  ARG  82          HH12      ARG  82   0.830 -12.624   5.429
   73   HH21  ARG  82          HH21      ARG  82   3.168 -10.813   3.549
   74   HH22  ARG  82          HH22      ARG  82   2.954 -12.040   4.758
   75    H    VAL  83           H        VAL  83  -3.046  -7.196  -0.208
   76    HA   VAL  83           HA       VAL  83  -4.418  -5.669   1.905
   77    HB   VAL  83           HB       VAL  83  -5.822  -4.514   0.513
   78   HG11  VAL  83          HG11      VAL  83  -3.584  -3.685   0.298
   79   HG12  VAL  83          HG12      VAL  83  -3.298  -4.759  -1.073
   80   HG13  VAL  83          HG13      VAL  83  -4.482  -3.456  -1.206
   81   HG21  VAL  83          HG21      VAL  83  -5.161  -6.399  -1.740
   82   HG22  VAL  83          HG22      VAL  83  -6.663  -6.358  -0.810
   83   HG23  VAL  83          HG23      VAL  83  -6.230  -5.000  -1.849
   84    H    ASN  84           H        ASN  84  -6.210  -6.481   2.679
   85    HA   ASN  84           HA       ASN  84  -7.087  -9.075   1.642
   86    HB2  ASN  84           HB2      ASN  84  -7.357  -8.043   4.485
   87    HB3  ASN  84           HB3      ASN  84  -7.770  -9.652   3.916
   88   HD21  ASN  84          HD21      ASN  84  -5.101  -7.446   4.501
   89   HD22  ASN  84          HD22      ASN  84  -3.893  -8.670   4.684
   90    H    HIS  85           H        HIS  85  -9.087  -9.080   0.759
   91    HA   HIS  85           HA       HIS  85 -11.207  -7.641   2.111
   92    HB2  HIS  85           HB2      HIS  85 -10.170  -6.182   0.237
   93    HB3  HIS  85           HB3      HIS  85 -10.885  -7.345  -0.874
   94    HD2  HIS  85           HD2      HIS  85 -12.098  -4.708   1.801
   95    HE1  HIS  85           HE1      HIS  85 -15.222  -5.596  -0.919
   96    HE2  HIS  85           HE2      HIS  85 -14.582  -4.294   1.155
   97    H    VAL  86           H        VAL  86 -13.324  -8.438   1.381
   98    HA   VAL  86           HA       VAL  86 -13.308 -11.250   1.230
   99    HB   VAL  86           HB       VAL  86 -15.742 -11.114   1.065
  100   HG11  VAL  86          HG11      VAL  86 -14.693 -10.865   3.248
  101   HG12  VAL  86          HG12      VAL  86 -14.603  -9.119   3.014
  102   HG13  VAL  86          HG13      VAL  86 -16.172  -9.909   3.140
  103   HG21  VAL  86          HG21      VAL  86 -15.875  -9.209  -0.489
  104   HG22  VAL  86          HG22      VAL  86 -16.906  -8.990   0.926
  105   HG23  VAL  86          HG23      VAL  86 -15.373  -8.129   0.810
  106    H    THR  87           H        THR  87 -13.272  -8.837  -1.217
  107    HA   THR  87           HA       THR  87 -14.538 -10.367  -3.252
  108    HB   THR  87           HB       THR  87 -13.596  -8.655  -4.768
  109    HG1  THR  87           HG1      THR  87 -12.681  -7.133  -2.627
  110   HG21  THR  87          HG21      THR  87 -15.009  -7.777  -2.280
  111   HG22  THR  87          HG22      THR  87 -14.677  -6.663  -3.612
  112   HG23  THR  87          HG23      THR  87 -15.680  -8.091  -3.882
  113    H    LEU  88           H        LEU  88 -11.206  -9.803  -2.275
  114    HA   LEU  88           HA       LEU  88 -10.119 -11.170  -4.549
  115    HB2  LEU  88           HB2      LEU  88  -8.845 -10.237  -1.962
  116    HB3  LEU  88           HB3      LEU  88  -7.957 -10.929  -3.306
  117    HG   LEU  88           HG       LEU  88  -9.483  -8.325  -3.312
  118   HD11  LEU  88          HD11      LEU  88  -7.316  -8.235  -2.159
  119   HD12  LEU  88          HD12      LEU  88  -6.532  -8.907  -3.593
  120   HD13  LEU  88          HD13      LEU  88  -7.294  -7.312  -3.672
  121   HD21  LEU  88          HD21      LEU  88  -8.007  -9.718  -5.541
  122   HD22  LEU  88          HD22      LEU  88  -9.745  -9.423  -5.449
  123   HD23  LEU  88          HD23      LEU  88  -8.627  -8.067  -5.606
  124    H    SER  89           H        SER  89 -10.142 -13.326  -4.709
  125    HA   SER  89           HA       SER  89 -10.996 -15.050  -2.686
  126    HB2  SER  89           HB2      SER  89  -9.997 -16.860  -4.195
  127    HB3  SER  89           HB3      SER  89 -11.219 -15.813  -4.919
  128    HG   SER  89           HG       SER  89  -8.622 -16.170  -5.615
  129    H    GLN  90           H        GLN  90  -7.819 -13.861  -3.529
  130    HA   GLN  90           HA       GLN  90  -6.795 -14.987  -1.042
  131    HB2  GLN  90           HB2      GLN  90  -5.132 -14.715  -3.556
  132    HB3  GLN  90           HB3      GLN  90  -4.699 -15.544  -2.067
  133    HG2  GLN  90           HG2      GLN  90  -6.876 -16.430  -3.944
  134    HG3  GLN  90           HG3      GLN  90  -5.223 -17.048  -3.970
  135   HE21  GLN  90          HE21      GLN  90  -7.754 -18.444  -3.498
  136   HE22  GLN  90          HE22      GLN  90  -7.601 -19.182  -1.938

  No H/Q in entry =         136
  In of MODEL    1
    1    HA   PRO  91           HA       PRO  91  -5.922 -10.561  -0.337
    2    HB2  PRO  91           HB2      PRO  91  -3.534 -11.938   0.860
    3    HB3  PRO  91           HB3      PRO  91  -4.414 -10.513   1.452
    4    HG2  PRO  91           HG2      PRO  91  -4.944 -12.833   2.548
    5    HG3  PRO  91           HG3      PRO  91  -6.302 -11.790   2.034
    6    HD2  PRO  91           HD2      PRO  91  -5.180 -14.265   0.711
    7    HD3  PRO  91           HD3      PRO  91  -6.887 -13.736   0.844
    8    H    LYS  92           H        LYS  92  -4.747  -9.089  -1.400
    9    HA   LYS  92           HA       LYS  92  -3.232 -10.171  -3.617
   10    HB2  LYS  92           HB2      LYS  92  -5.147  -8.635  -3.999
   11    HB3  LYS  92           HB3      LYS  92  -4.181  -7.352  -3.267
   12    HG2  LYS  92           HG2      LYS  92  -3.986  -7.244  -5.664
   13    HG3  LYS  92           HG3      LYS  92  -2.439  -7.740  -4.954
   14    HD2  LYS  92           HD2      LYS  92  -2.800  -9.138  -6.815
   15    HD3  LYS  92           HD3      LYS  92  -3.130 -10.096  -5.375
   16    HE2  LYS  92           HE2      LYS  92  -4.792 -10.537  -7.088
   17    HE3  LYS  92           HE3      LYS  92  -5.529  -9.752  -5.693
   18    HZ1  LYS  92           HZ1      LYS  92  -4.679  -8.299  -8.138
   19    HZ2  LYS  92           HZ2      LYS  92  -6.252  -8.876  -7.888
   20    HZ3  LYS  92           HZ3      LYS  92  -5.608  -7.695  -6.856
   21    H    ILE  93           H        ILE  93  -1.122 -10.088  -3.677
   22    HA   ILE  93           HA       ILE  93   0.269  -8.059  -2.067
   23    HB   ILE  93           HB       ILE  93   1.302 -10.680  -3.122
   24   HG12  ILE  93          HG12      ILE  93   0.449  -9.707  -0.428
   25   HG13  ILE  93          HG13      ILE  93   0.171 -11.235  -1.232
   26   HG21  ILE  93          HG21      ILE  93   3.043  -9.015  -3.247
   27   HG22  ILE  93          HG22      ILE  93   2.735  -8.573  -1.565
   28   HG23  ILE  93          HG23      ILE  93   3.349 -10.172  -1.946
   29   HD11  ILE  93          HD11      ILE  93   2.758 -10.391  -0.104
   30   HD12  ILE  93          HD12      ILE  93   1.585 -11.443   0.687
   31   HD13  ILE  93          HD13      ILE  93   2.368 -11.960  -0.811
   32    H    VAL  94           H        VAL  94   1.264  -6.514  -3.084
   33    HA   VAL  94           HA       VAL  94   2.230  -6.978  -5.815
   34    HB   VAL  94           HB       VAL  94   0.992  -4.407  -4.794
   35   HG11  VAL  94          HG11      VAL  94   2.908  -3.956  -6.249
   36   HG12  VAL  94          HG12      VAL  94   2.233  -5.026  -7.480
   37   HG13  VAL  94          HG13      VAL  94   1.393  -3.536  -7.051
   38   HG21  VAL  94          HG21      VAL  94  -0.650  -6.120  -5.393
   39   HG22  VAL  94          HG22      VAL  94  -0.678  -4.771  -6.531
   40   HG23  VAL  94          HG23      VAL  94   0.103  -6.287  -6.979
   41    H    LYS  95           H        LYS  95   4.282  -6.595  -6.030
   42    HA   LYS  95           HA       LYS  95   5.781  -5.791  -3.676
   43    HB2  LYS  95           HB2      LYS  95   7.501  -6.968  -4.530
   44    HB3  LYS  95           HB3      LYS  95   6.309  -7.610  -5.646
   45    HG2  LYS  95           HG2      LYS  95   6.989  -6.122  -7.361
   46    HG3  LYS  95           HG3      LYS  95   7.970  -5.178  -6.237
   47    HD2  LYS  95           HD2      LYS  95   8.966  -7.706  -5.915
   48    HD3  LYS  95           HD3      LYS  95   8.585  -7.669  -7.633
   49    HE2  LYS  95           HE2      LYS  95  10.904  -6.954  -7.075
   50    HE3  LYS  95           HE3      LYS  95   9.975  -5.758  -7.976
   51    HZ1  LYS  95           HZ1      LYS  95  10.355  -5.729  -5.039
   52    HZ2  LYS  95           HZ2      LYS  95  11.284  -4.825  -6.129
   53    HZ3  LYS  95           HZ3      LYS  95   9.624  -4.522  -5.972
   54    H    TRP  96           H        TRP  96   7.120  -3.973  -3.541
   55    HA   TRP  96           HA       TRP  96   6.168  -1.740  -5.094
   56    HB2  TRP  96           HB2      TRP  96   6.650  -1.351  -2.722
   57    HB3  TRP  96           HB3      TRP  96   8.312  -1.932  -2.922
   58    HD1  TRP  96           HD1      TRP  96   6.070   1.045  -3.972
   59    HE1  TRP  96           HE1      TRP  96   7.576   3.028  -4.558
   60    HE3  TRP  96           HE3      TRP  96  10.627  -1.230  -3.492
   61    HZ2  TRP  96           HZ2      TRP  96  10.333   3.575  -4.787
   62    HZ3  TRP  96           HZ3      TRP  96  12.652   0.093  -3.909
   63    HH2  TRP  96           HH2      TRP  96  12.501   2.466  -4.548
   64    H    ASP  97           H        ASP  97   7.264  -0.709  -6.703
   65    HA   ASP  97           HA       ASP  97  10.100  -1.036  -6.948
   66    HB2  ASP  97           HB2      ASP  97   8.873  -3.002  -8.240
   67    HB3  ASP  97           HB3      ASP  97   8.762  -1.757  -9.483
   68    H    ARG  98           H        ARG  98  10.867   0.032  -8.976
   69    HA   ARG  98           HA       ARG  98   9.499   2.642  -9.141
   70    HB2  ARG  98           HB2      ARG  98  11.947   3.428  -9.616
   71    HB3  ARG  98           HB3      ARG  98  11.476   3.075  -7.971
   72    HG2  ARG  98           HG2      ARG  98  13.126   1.607  -7.773
   73    HG3  ARG  98           HG3      ARG  98  12.437   0.656  -9.081
   74    HD2  ARG  98           HD2      ARG  98  13.696   2.180 -10.665
   75    HD3  ARG  98           HD3      ARG  98  14.578   2.790  -9.259
   76    HE   ARG  98           HE       ARG  98  14.943   0.192  -8.958
   77   HH11  ARG  98          HH11      ARG  98  15.064   2.066 -11.906
   78   HH12  ARG  98          HH12      ARG  98  16.404   1.176 -12.565
   79   HH21  ARG  98          HH21      ARG  98  16.669  -1.018  -9.824
   80   HH22  ARG  98          HH22      ARG  98  17.303  -0.601 -11.390
   81    H    ASP  99           H        ASP  99  10.928  -0.008 -10.865
   82    HA   ASP  99           HA       ASP  99  10.529   1.423 -13.409
   83    HB2  ASP  99           HB2      ASP  99  12.972   0.137 -12.367
   84    HB3  ASP  99           HB3      ASP  99  12.600  -0.147 -14.064
   85    H    MET 100           H        MET 100   9.769  -1.123 -11.517
   86    HA   MET 100           HA       MET 100   9.315  -2.931 -13.803
   87    HB2  MET 100           HB2      MET 100   9.354  -3.763 -10.904
   88    HB3  MET 100           HB3      MET 100   9.501  -4.780 -12.336
   89    HG2  MET 100           HG2      MET 100  11.504  -2.699 -11.525
   90    HG3  MET 100           HG3      MET 100  11.626  -4.413 -11.088
   91    HE1  MET 100           HE1      MET 100  10.461  -5.786 -13.714
   92    HE2  MET 100           HE2      MET 100  11.925  -6.081 -14.651
   93    HE3  MET 100           HE3      MET 100  11.914  -6.381 -12.913

  No H/Q in entry =          93
  In of MODEL    2
    1    HA   ILE   2           HA       ILE   2 -21.762  -8.886  -5.117
    2    HB   ILE   2           HB       ILE   2 -19.871  -9.815  -6.636
    3   HG12  ILE   2          HG12      ILE   2 -20.449  -9.444  -9.091
    4   HG13  ILE   2          HG13      ILE   2 -21.380  -8.046  -8.573
    5   HG21  ILE   2          HG21      ILE   2 -22.780 -10.015  -7.382
    6   HG22  ILE   2          HG22      ILE   2 -21.522 -11.144  -7.881
    7   HG23  ILE   2          HG23      ILE   2 -21.930 -10.978  -6.174
    8   HD11  ILE   2          HD11      ILE   2 -18.423  -8.439  -8.178
    9   HD12  ILE   2          HD12      ILE   2 -19.186  -7.406  -9.387
   10   HD13  ILE   2          HD13      ILE   2 -19.356  -7.030  -7.672

  No H/Q in entry =          10
  In of MODEL    2
    1    H    GLN   3           H        GLN   3 -21.116  -6.171  -4.534
    2    HA   GLN   3           HA       GLN   3 -19.553  -4.886  -3.553
    3    HB2  GLN   3           HB2      GLN   3 -19.224  -7.079  -2.294
    4    HB3  GLN   3           HB3      GLN   3 -17.872  -7.398  -3.364
    5    HG2  GLN   3           HG2      GLN   3 -17.255  -6.467  -1.118
    6    HG3  GLN   3           HG3      GLN   3 -16.641  -5.560  -2.506
    7   HE21  GLN   3          HE21      GLN   3 -18.980  -5.571   0.087
    8   HE22  GLN   3          HE22      GLN   3 -19.336  -3.881   0.022

  No H/Q in entry =           8
  In of MODEL    2
    1    H    ARG   4           H        ARG   4 -16.986  -4.438  -3.669
    2    HA   ARG   4           HA       ARG   4 -16.289  -4.392  -6.534
    3    HB2  ARG   4           HB2      ARG   4 -17.087  -2.215  -6.101
    4    HB3  ARG   4           HB3      ARG   4 -16.350  -2.169  -4.513
    5    HG2  ARG   4           HG2      ARG   4 -14.210  -1.696  -5.361
    6    HG3  ARG   4           HG3      ARG   4 -14.644  -2.240  -6.996
    7    HD2  ARG   4           HD2      ARG   4 -14.469   0.265  -6.674
    8    HD3  ARG   4           HD3      ARG   4 -15.997  -0.301  -7.356
    9    HE   ARG   4           HE       ARG   4 -16.526  -0.199  -4.707
   10   HH11  ARG   4          HH11      ARG   4 -15.146   2.129  -6.928
   11   HH12  ARG   4          HH12      ARG   4 -15.787   3.506  -6.086
   12   HH21  ARG   4          HH21      ARG   4 -17.365   1.617  -3.585
   13   HH22  ARG   4          HH22      ARG   4 -17.057   3.216  -4.187

  No H/Q in entry =          13
  In of MODEL    2
    1    H    THR   5           H        THR   5 -14.194  -4.874  -7.022
    2    HA   THR   5           HA       THR   5 -12.653  -6.057  -4.891
    3    HB   THR   5           HB       THR   5 -11.161  -6.901  -6.595
    4    HG1  THR   5           HG1      THR   5 -11.556  -4.759  -7.878
    5   HG21  THR   5          HG21      THR   5 -14.082  -7.060  -7.258
    6   HG22  THR   5          HG22      THR   5 -12.880  -7.895  -8.235
    7   HG23  THR   5          HG23      THR   5 -13.035  -8.277  -6.527

  No H/Q in entry =           7
  In of MODEL    2
    1    HA   PRO   6           HA       PRO   6 -10.380  -2.216  -4.373
    2    HB2  PRO   6           HB2      PRO   6  -8.796  -3.625  -2.378
    3    HB3  PRO   6           HB3      PRO   6  -9.914  -2.274  -2.162
    4    HG2  PRO   6           HG2      PRO   6 -10.402  -4.816  -1.275
    5    HG3  PRO   6           HG3      PRO   6 -11.676  -3.638  -1.664
    6    HD2  PRO   6           HD2      PRO   6 -10.684  -5.978  -3.253
    7    HD3  PRO   6           HD3      PRO   6 -12.322  -5.288  -3.134

  No H/Q in entry =           7
  In of MODEL    2
    1    H    LYS   7           H        LYS   7  -8.639  -1.587  -5.476
    2    HA   LYS   7           HA       LYS   7  -6.960  -3.738  -6.553
    3    HB2  LYS   7           HB2      LYS   7  -8.342  -2.201  -8.072
    4    HB3  LYS   7           HB3      LYS   7  -7.213  -0.928  -7.635
    5    HG2  LYS   7           HG2      LYS   7  -5.386  -2.120  -8.634
    6    HG3  LYS   7           HG3      LYS   7  -6.410  -3.528  -8.921
    7    HD2  LYS   7           HD2      LYS   7  -6.731  -0.799 -10.174
    8    HD3  LYS   7           HD3      LYS   7  -6.131  -2.252 -10.973
    9    HE2  LYS   7           HE2      LYS   7  -8.301  -3.341 -10.596
   10    HE3  LYS   7           HE3      LYS   7  -8.896  -1.872  -9.824
   11    HZ1  LYS   7           HZ1      LYS   7  -8.480  -0.698 -11.944
   12    HZ2  LYS   7           HZ2      LYS   7  -8.067  -2.179 -12.660
   13    HZ3  LYS   7           HZ3      LYS   7  -9.642  -1.927 -12.080

  No H/Q in entry =          13
  In of MODEL    2
    1    H    ILE   8           H        ILE   8  -4.733  -3.499  -6.639
    2    HA   ILE   8           HA       ILE   8  -3.727  -1.959  -4.365
    3    HB   ILE   8           HB       ILE   8  -2.486  -4.258  -5.891
    4   HG12  ILE   8          HG12      ILE   8  -2.599  -5.498  -3.847
    5   HG13  ILE   8          HG13      ILE   8  -3.047  -4.068  -2.939
    6   HG21  ILE   8          HG21      ILE   8  -1.278  -2.490  -3.786
    7   HG22  ILE   8          HG22      ILE   8  -0.638  -4.075  -4.210
    8   HG23  ILE   8          HG23      ILE   8  -0.687  -2.793  -5.420
    9   HD11  ILE   8          HD11      ILE   8  -4.781  -5.346  -5.020
   10   HD12  ILE   8          HD12      ILE   8  -4.875  -5.681  -3.289
   11   HD13  ILE   8          HD13      ILE   8  -5.224  -4.061  -3.893

  No H/Q in entry =          11
  In of MODEL    2
    1    H    GLN   9           H        GLN   9  -2.746  -0.129  -4.675
    2    HA   GLN   9           HA       GLN   9  -0.992   0.140  -7.016
    3    HB2  GLN   9           HB2      GLN   9  -2.027   2.749  -6.167
    4    HB3  GLN   9           HB3      GLN   9  -2.077   2.080  -7.805
    5    HG2  GLN   9           HG2      GLN   9  -4.108   1.026  -7.467
    6    HG3  GLN   9           HG3      GLN   9  -4.025   1.172  -5.717
    7   HE21  GLN   9          HE21      GLN   9  -3.175   3.786  -7.858
    8   HE22  GLN   9          HE22      GLN   9  -4.531   4.803  -7.487

  No H/Q in entry =           8
  In of MODEL    2
    1    H    VAL  10           H        VAL  10   1.002   0.424  -6.327
    2    HA   VAL  10           HA       VAL  10   1.542   1.810  -3.806
    3    HB   VAL  10           HB       VAL  10   1.614  -0.404  -3.008
    4   HG11  VAL  10          HG11      VAL  10   1.493  -1.505  -5.215
    5   HG12  VAL  10          HG12      VAL  10   3.227  -1.245  -5.410
    6   HG13  VAL  10          HG13      VAL  10   2.629  -2.280  -4.111
    7   HG21  VAL  10          HG21      VAL  10   4.439   0.306  -3.801
    8   HG22  VAL  10          HG22      VAL  10   3.599   0.813  -2.334
    9   HG23  VAL  10          HG23      VAL  10   3.997  -0.890  -2.582

  No H/Q in entry =           9
  In of MODEL    2
    1    H    TYR  11           H        TYR  11   3.221   3.155  -3.885
    2    HA   TYR  11           HA       TYR  11   5.335   2.864  -5.818
    3    HB2  TYR  11           HB2      TYR  11   4.916   5.043  -6.929
    4    HB3  TYR  11           HB3      TYR  11   3.640   3.877  -7.250
    5    HD1  TYR  11           HD1      TYR  11   4.488   6.983  -5.454
    6    HD2  TYR  11           HD2      TYR  11   1.406   4.240  -6.475
    7    HE1  TYR  11           HE1      TYR  11   2.801   8.600  -4.683
    8    HE2  TYR  11           HE2      TYR  11  -0.288   5.842  -5.705
    9    HH   TYR  11           HH       TYR  11  -0.383   7.762  -4.083

  No H/Q in entry =           9
  In of MODEL    2
    1    H    SER  12           H        SER  12   6.886   4.721  -5.643
    2    HA   SER  12           HA       SER  12   7.145   5.543  -2.860
    3    HB2  SER  12           HB2      SER  12   9.081   4.557  -4.074
    4    HB3  SER  12           HB3      SER  12   9.009   5.881  -5.232
    5    HG   SER  12           HG       SER  12  10.066   7.074  -3.894

  No H/Q in entry =           5
  In of MODEL    2
    1    H    ARG  13           H        ARG  13   6.901   7.625  -2.169
    2    HA   ARG  13           HA       ARG  13   5.256   9.335  -3.680
    3    HB2  ARG  13           HB2      ARG  13   5.544   9.329  -1.151
    4    HB3  ARG  13           HB3      ARG  13   7.067  10.165  -1.373
    5    HG2  ARG  13           HG2      ARG  13   4.477  11.354  -2.349
    6    HG3  ARG  13           HG3      ARG  13   5.039  11.542  -0.697
    7    HD2  ARG  13           HD2      ARG  13   7.015  12.159  -2.790
    8    HD3  ARG  13           HD3      ARG  13   5.632  13.240  -2.699
    9    HE   ARG  13           HE       ARG  13   6.275  13.861  -0.521
   10   HH11  ARG  13          HH11      ARG  13   8.534  11.619  -1.976
   11   HH12  ARG  13          HH12      ARG  13   9.847  12.059  -0.926
   12   HH21  ARG  13          HH21      ARG  13   7.977  14.426   0.871
   13   HH22  ARG  13          HH22      ARG  13   9.519  13.637   0.713

  No H/Q in entry =          13
  In of MODEL    2
    1    H    HIS  14           H        HIS  14   8.723   9.186  -3.519
    2    HA   HIS  14           HA       HIS  14   8.823  10.881  -5.858
    3    HB2  HIS  14           HB2      HIS  14  10.038  11.636  -3.260
    4    HB3  HIS  14           HB3      HIS  14  11.059  11.853  -4.680
    5    HD2  HIS  14           HD2      HIS  14   8.923  14.070  -2.734
    6    HE1  HIS  14           HE1      HIS  14   8.109  15.148  -6.746
    7    HE2  HIS  14           HE2      HIS  14   7.756  15.761  -4.310

  No H/Q in entry =           7
  In of MODEL    2
    1    HA   PRO  15           HA       PRO  15  11.828   8.260  -7.687
    2    HB2  PRO  15           HB2      PRO  15  14.356   9.494  -7.326
    3    HB3  PRO  15           HB3      PRO  15  13.301   9.597  -8.746
    4    HG2  PRO  15           HG2      PRO  15  13.638  11.545  -6.486
    5    HG3  PRO  15           HG3      PRO  15  13.214  11.840  -8.205
    6    HD2  PRO  15           HD2      PRO  15  11.362  11.992  -6.248
    7    HD3  PRO  15           HD3      PRO  15  10.962  11.341  -7.866

  No H/Q in entry =           7
  In of MODEL    2
    1    H    ALA  16           H        ALA  16  12.749   6.431  -7.093
    2    HA   ALA  16           HA       ALA  16  13.368   5.894  -4.370
    3    HB1  ALA  16           HB1      ALA  16  12.424   4.209  -5.894
    4    HB2  ALA  16           HB2      ALA  16  13.926   4.219  -6.816
    5    HB3  ALA  16           HB3      ALA  16  13.920   3.658  -5.146

  No H/Q in entry =           5
  In of MODEL    2
    1    H    GLU  17           H        GLU  17  15.177   6.708  -3.465
    2    HA   GLU  17           HA       GLU  17  17.668   6.463  -4.989
    3    HB2  GLU  17           HB2      GLU  17  17.020   8.752  -4.180
    4    HB3  GLU  17           HB3      GLU  17  17.200   8.156  -2.530
    5    HG2  GLU  17           HG2      GLU  17  19.189   9.365  -3.283
    6    HG3  GLU  17           HG3      GLU  17  19.539   7.671  -2.937

  No H/Q in entry =           6
  In of MODEL    2
    1    H    ASN  18           H        ASN  18  18.883   4.845  -4.484
    2    HA   ASN  18           HA       ASN  18  18.350   3.239  -2.160
    3    HB2  ASN  18           HB2      ASN  18  18.766   1.872  -3.939
    4    HB3  ASN  18           HB3      ASN  18  19.968   2.948  -4.649
    5   HD21  ASN  18          HD21      ASN  18  21.382   1.287  -5.031
    6   HD22  ASN  18          HD22      ASN  18  22.262   0.490  -3.771

  No H/Q in entry =           6
  In of MODEL    2
    1    H    GLY  19           H        GLY  19  19.284   3.308  -0.304
    2    HA2  GLY  19           HA2      GLY  19  21.992   4.339   0.055
    3    HA3  GLY  19           HA3      GLY  19  20.965   3.600   1.298

  No H/Q in entry =           3
  In of MODEL    2
    1    H    LYS  20           H        LYS  20  18.733   5.333   0.285
    2    HA   LYS  20           HA       LYS  20  19.437   7.786   1.727
    3    HB2  LYS  20           HB2      LYS  20  19.672   8.032  -0.762
    4    HB3  LYS  20           HB3      LYS  20  17.966   7.649  -0.908
    5    HG2  LYS  20           HG2      LYS  20  18.078   9.979  -1.036
    6    HG3  LYS  20           HG3      LYS  20  17.510   9.629   0.599
    7    HD2  LYS  20           HD2      LYS  20  19.922   9.852   1.347
    8    HD3  LYS  20           HD3      LYS  20  20.279  10.469  -0.263
    9    HE2  LYS  20           HE2      LYS  20  18.669  12.318   0.107
   10    HE3  LYS  20           HE3      LYS  20  18.364  11.708   1.737
   11    HZ1  LYS  20           HZ1      LYS  20  20.840  11.965   2.084
   12    HZ2  LYS  20           HZ2      LYS  20  20.853  12.880   0.654
   13    HZ3  LYS  20           HZ3      LYS  20  19.931  13.393   1.986

  No H/Q in entry =          13
  In of MODEL    2
    1    H    SER  21           H        SER  21  17.727   8.695   2.833
    2    HA   SER  21           HA       SER  21  15.521   6.976   3.415
    3    HB2  SER  21           HB2      SER  21  16.154   9.808   4.230
    4    HB3  SER  21           HB3      SER  21  14.817   8.863   4.886
    5    HG   SER  21           HG       SER  21  16.899   7.322   5.116

  No H/Q in entry =           5
  In of MODEL    2
    1    H    ASN  22           H        ASN  22  13.395   7.198   2.863
    2    HA   ASN  22           HA       ASN  22  12.530   9.332   1.104
    3    HB2  ASN  22           HB2      ASN  22  13.750   7.212  -0.132
    4    HB3  ASN  22           HB3      ASN  22  12.068   6.665  -0.095
    5   HD21  ASN  22          HD21      ASN  22  11.487   6.908  -2.178
    6   HD22  ASN  22          HD22      ASN  22  11.561   8.396  -3.053

  No H/Q in entry =           6
  In of MODEL    2
    1    H    PHE  23           H        PHE  23  10.227   8.090   0.075
    2    HA   PHE  23           HA       PHE  23   8.853   7.219   2.535
    3    HB2  PHE  23           HB2      PHE  23   8.776   9.775   1.892
    4    HB3  PHE  23           HB3      PHE  23   7.473   9.256   0.869
    5    HD1  PHE  23           HD1      PHE  23   8.257  10.729   3.807
    6    HD2  PHE  23           HD2      PHE  23   5.828   7.591   2.305
    7    HE1  PHE  23           HE1      PHE  23   6.788  10.957   5.760
    8    HE2  PHE  23           HE2      PHE  23   4.352   7.791   4.267
    9    HZ   PHE  23           HZ       PHE  23   4.850   9.470   6.001

  No H/Q in entry =           9
  In of MODEL    2
    1    H    LEU  24           H        LEU  24   7.074   6.014   2.256
    2    HA   LEU  24           HA       LEU  24   6.775   4.824  -0.434
    3    HB2  LEU  24           HB2      LEU  24   7.445   3.627   1.944
    4    HB3  LEU  24           HB3      LEU  24   5.720   3.329   1.870
    5    HG   LEU  24           HG       LEU  24   7.862   2.370  -0.050
    6   HD11  LEU  24          HD11      LEU  24   5.837   0.920   1.670
    7   HD12  LEU  24          HD12      LEU  24   6.987   0.156   0.564
    8   HD13  LEU  24          HD13      LEU  24   7.571   1.046   1.973
    9   HD21  LEU  24          HD21      LEU  24   4.869   2.123  -0.399
   10   HD22  LEU  24          HD22      LEU  24   5.956   3.081  -1.406
   11   HD23  LEU  24          HD23      LEU  24   6.097   1.324  -1.381

  No H/Q in entry =          11
  In of MODEL    2
    1    H    ASN  25           H        ASN  25   4.651   4.157  -1.045
    2    HA   ASN  25           HA       ASN  25   2.446   5.209   0.543
    3    HB2  ASN  25           HB2      ASN  25   2.939   7.038  -0.939
    4    HB3  ASN  25           HB3      ASN  25   2.986   5.963  -2.336
    5   HD21  ASN  25          HD21      ASN  25   1.019   7.635  -0.051
    6   HD22  ASN  25          HD22      ASN  25  -0.491   7.392  -0.866

  No H/Q in entry =           6
  In of MODEL    2
    1    H    CYS  26           H        CYS  26   0.821   3.821   0.637
    2    HA   CYS  26           HA       CYS  26   0.392   1.944  -1.587
    3    HB2  CYS  26           HB2      CYS  26   1.366   1.005   0.660
    4    HB3  CYS  26           HB3      CYS  26  -0.298   1.184   1.223

  No H/Q in entry =           4
  In of MODEL    2
    1    H    TYR  27           H        TYR  27  -1.526   2.197  -2.461
    2    HA   TYR  27           HA       TYR  27  -3.611   3.645  -0.959
    3    HB2  TYR  27           HB2      TYR  27  -2.356   4.251  -3.545
    4    HB3  TYR  27           HB3      TYR  27  -4.106   4.179  -3.634
    5    HD1  TYR  27           HD1      TYR  27  -1.369   6.280  -3.111
    6    HD2  TYR  27           HD2      TYR  27  -5.330   5.631  -1.699
    7    HE1  TYR  27           HE1      TYR  27  -1.499   8.623  -2.404
    8    HE2  TYR  27           HE2      TYR  27  -5.467   7.982  -1.007
    9    HH   TYR  27           HH       TYR  27  -3.135  10.314  -1.914

  No H/Q in entry =           9
  In of MODEL    2
    1    H    VAL  28           H        VAL  28  -4.983   1.989  -0.509
    2    HA   VAL  28           HA       VAL  28  -5.744   0.248  -2.752
    3    HB   VAL  28           HB       VAL  28  -6.604  -0.280   0.069
    4   HG11  VAL  28          HG11      VAL  28  -6.005  -1.997  -2.327
    5   HG12  VAL  28          HG12      VAL  28  -6.527  -2.605  -0.755
    6   HG13  VAL  28          HG13      VAL  28  -7.602  -1.577  -1.701
    7   HG21  VAL  28          HG21      VAL  28  -3.922  -0.989  -1.114
    8   HG22  VAL  28          HG22      VAL  28  -4.225   0.001   0.315
    9   HG23  VAL  28          HG23      VAL  28  -4.597  -1.726   0.344

  No H/Q in entry =           9
  In of MODEL    2
    1    H    SER  29           H        SER  29  -7.528   0.898  -3.773
    2    HA   SER  29           HA       SER  29  -9.650   2.162  -2.194
    3    HB2  SER  29           HB2      SER  29  -9.994   3.775  -4.068
    4    HB3  SER  29           HB3      SER  29  -8.442   3.966  -3.249
    5    HG   SER  29           HG       SER  29  -7.413   3.321  -4.995

  No H/Q in entry =           5
  In of MODEL    2
    1    H    GLY  30           H        GLY  30 -11.713   2.333  -3.525
    2    HA2  GLY  30           HA2      GLY  30 -12.104   0.358  -5.570
    3    HA3  GLY  30           HA3      GLY  30 -13.353   1.336  -4.803

  No H/Q in entry =           3
  In of MODEL    2
    1    H    PHE  31           H        PHE  31 -14.646   0.285  -3.278
    2    HA   PHE  31           HA       PHE  31 -14.582  -2.175  -2.508
    3    HB2  PHE  31           HB2      PHE  31 -13.329  -2.559  -0.499
    4    HB3  PHE  31           HB3      PHE  31 -12.245  -2.027  -1.780
    5    HD1  PHE  31           HD1      PHE  31 -13.901  -0.996   1.364
    6    HD2  PHE  31           HD2      PHE  31 -10.906  -0.133  -1.533
    7    HE1  PHE  31           HE1      PHE  31 -12.850   0.581   2.924
    8    HE2  PHE  31           HE2      PHE  31  -9.862   1.461   0.020
    9    HZ   PHE  31           HZ       PHE  31 -10.825   1.794   2.256

  No H/Q in entry =           9
  In of MODEL    2
    1    H    HIS  32           H        HIS  32 -15.559  -2.677  -0.261
    2    HA   HIS  32           HA       HIS  32 -16.682  -0.524   1.208
    3    HB2  HIS  32           HB2      HIS  32 -18.228  -0.450  -0.803
    4    HB3  HIS  32           HB3      HIS  32 -18.700  -2.113  -0.448
    5    HD2  HIS  32           HD2      HIS  32 -19.087   1.475   1.079
    6    HE1  HIS  32           HE1      HIS  32 -22.085  -1.076   2.634
    7    HE2  HIS  32           HE2      HIS  32 -21.248   1.319   2.506

  No H/Q in entry =           7
  In of MODEL    2
    1    HA   PRO  33           HA       PRO  33 -18.674  -0.597   2.969
    2    HB2  PRO  33           HB2      PRO  33 -17.858  -1.270   5.714
    3    HB3  PRO  33           HB3      PRO  33 -19.465  -0.935   5.064
    4    HG2  PRO  33           HG2      PRO  33 -18.766  -3.402   5.794
    5    HG3  PRO  33           HG3      PRO  33 -19.781  -3.122   4.365
    6    HD2  PRO  33           HD2      PRO  33 -16.833  -3.668   4.512
    7    HD3  PRO  33           HD3      PRO  33 -18.053  -4.383   3.434

  No H/Q in entry =           7
  In of MODEL    2
    1    H    SER  34           H        SER  34 -17.903   0.893   5.034
    2    HA   SER  34           HA       SER  34 -15.721   2.390   4.121
    3    HB2  SER  34           HB2      SER  34 -15.971   3.632   6.289
    4    HB3  SER  34           HB3      SER  34 -17.491   3.391   5.415
    5    HG   SER  34           HG       SER  34 -17.014   1.300   7.065

  No H/Q in entry =           5
  In of MODEL    2
    1    H    ASP  35           H        ASP  35 -14.533  -0.143   4.421
    2    HA   ASP  35           HA       ASP  35 -12.200   0.601   5.874
    3    HB2  ASP  35           HB2      ASP  35 -12.206  -0.882   7.715
    4    HB3  ASP  35           HB3      ASP  35 -13.820  -0.174   7.735

  No H/Q in entry =           4
  In of MODEL    2
    1    H    ILE  36           H        ILE  36 -10.456  -0.518   5.251
    2    HA   ILE  36           HA       ILE  36 -10.710  -3.274   4.331
    3    HB   ILE  36           HB       ILE  36 -10.606  -1.694   2.274
    4   HG12  ILE  36          HG12      ILE  36  -8.830  -4.013   2.871
    5   HG13  ILE  36          HG13      ILE  36 -10.229  -3.949   1.816
    6   HG21  ILE  36          HG21      ILE  36  -7.757  -1.484   3.242
    7   HG22  ILE  36          HG22      ILE  36  -8.342  -0.942   1.667
    8   HG23  ILE  36          HG23      ILE  36  -8.917  -0.157   3.137
    9   HD11  ILE  36          HD11      ILE  36  -7.542  -2.728   1.218
   10   HD12  ILE  36          HD12      ILE  36  -8.116  -4.278   0.606
   11   HD13  ILE  36          HD13      ILE  36  -8.932  -2.788   0.135

  No H/Q in entry =          11
  In of MODEL    2
    1    H    GLU  37           H        GLU  37  -8.639  -4.451   4.606
    2    HA   GLU  37           HA       GLU  37  -6.813  -2.986   6.371
    3    HB2  GLU  37           HB2      GLU  37  -8.166  -4.963   7.308
    4    HB3  GLU  37           HB3      GLU  37  -7.155  -5.969   6.282
    5    HG2  GLU  37           HG2      GLU  37  -6.335  -5.888   8.590
    6    HG3  GLU  37           HG3      GLU  37  -5.164  -5.224   7.451

  No H/Q in entry =           6
  In of MODEL    2
    1    H    VAL  38           H        VAL  38  -4.863  -2.691   5.601
    2    HA   VAL  38           HA       VAL  38  -3.785  -4.569   3.645
    3    HB   VAL  38           HB       VAL  38  -4.017  -3.120   1.977
    4   HG11  VAL  38          HG11      VAL  38  -4.600  -0.982   4.001
    5   HG12  VAL  38          HG12      VAL  38  -4.792  -0.812   2.255
    6   HG13  VAL  38          HG13      VAL  38  -5.765  -1.988   3.141
    7   HG21  VAL  38          HG21      VAL  38  -2.032  -1.418   3.487
    8   HG22  VAL  38          HG22      VAL  38  -1.664  -2.669   2.303
    9   HG23  VAL  38          HG23      VAL  38  -2.473  -1.183   1.790

  No H/Q in entry =           9
  In of MODEL    2
    1    H    ASP  39           H        ASP  39  -1.673  -4.925   3.756
    2    HA   ASP  39           HA       ASP  39  -0.149  -3.597   5.895
    3    HB2  ASP  39           HB2      ASP  39  -0.551  -5.521   7.069
    4    HB3  ASP  39           HB3      ASP  39  -0.772  -6.499   5.631

  No H/Q in entry =           4
  In of MODEL    2
    1    H    LEU  40           H        LEU  40   2.055  -3.442   5.578
    2    HA   LEU  40           HA       LEU  40   2.859  -3.700   2.774
    3    HB2  LEU  40           HB2      LEU  40   4.215  -2.167   4.984
    4    HB3  LEU  40           HB3      LEU  40   4.573  -2.070   3.272
    5    HG   LEU  40           HG       LEU  40   2.137  -1.030   4.699
    6   HD11  LEU  40          HD11      LEU  40   4.413   0.323   3.241
    7   HD12  LEU  40          HD12      LEU  40   2.979   1.143   3.870
    8   HD13  LEU  40          HD13      LEU  40   4.098   0.349   4.978
    9   HD21  LEU  40          HD21      LEU  40   2.726  -1.022   1.750
   10   HD22  LEU  40          HD22      LEU  40   1.416  -1.885   2.562
   11   HD23  LEU  40          HD23      LEU  40   1.432  -0.117   2.545

  No H/Q in entry =          11
  In of MODEL    2
    1    H    LEU  41           H        LEU  41   4.697  -4.839   2.210
    2    HA   LEU  41           HA       LEU  41   5.840  -6.521   4.342
    3    HB2  LEU  41           HB2      LEU  41   5.835  -7.353   1.509
    4    HB3  LEU  41           HB3      LEU  41   5.967  -8.324   2.936
    5    HG   LEU  41           HG       LEU  41   3.462  -6.921   2.139
    6   HD11  LEU  41          HD11      LEU  41   4.103  -8.587   0.456
    7   HD12  LEU  41          HD12      LEU  41   4.225  -9.805   1.727
    8   HD13  LEU  41          HD13      LEU  41   2.663  -9.083   1.345
    9   HD21  LEU  41          HD21      LEU  41   3.714  -7.444   4.533
   10   HD22  LEU  41          HD22      LEU  41   2.398  -8.342   3.771
   11   HD23  LEU  41          HD23      LEU  41   3.934  -9.143   4.106

  No H/Q in entry =          11
  In of MODEL    2
    1    H    LYS  42           H        LYS  42   7.970  -7.272   4.019
    2    HA   LYS  42           HA       LYS  42   9.530  -5.967   1.926
    3    HB2  LYS  42           HB2      LYS  42  10.454  -6.660   4.703
    4    HB3  LYS  42           HB3      LYS  42  11.448  -5.947   3.447
    5    HG2  LYS  42           HG2      LYS  42   9.793  -3.989   3.457
    6    HG3  LYS  42           HG3      LYS  42   9.170  -4.688   4.922
    7    HD2  LYS  42           HD2      LYS  42  10.834  -2.956   5.416
    8    HD3  LYS  42           HD3      LYS  42  11.374  -4.542   5.976
    9    HE2  LYS  42           HE2      LYS  42  12.759  -4.792   3.989
   10    HE3  LYS  42           HE3      LYS  42  12.194  -3.238   3.381
   11    HZ1  LYS  42           HZ1      LYS  42  13.173  -2.229   5.424
   12    HZ2  LYS  42           HZ2      LYS  42  13.877  -3.735   5.773
   13    HZ3  LYS  42           HZ3      LYS  42  14.306  -2.901   4.357

  No H/Q in entry =          13
  In of MODEL    2
    1    H    ASN  43           H        ASN  43  10.103  -7.443   0.605
    2    HA   ASN  43           HA       ASN  43  10.831  -9.384  -0.359
    3    HB2  ASN  43           HB2      ASN  43  11.650 -10.044   2.486
    4    HB3  ASN  43           HB3      ASN  43  12.042 -11.063   1.106
    5   HD21  ASN  43          HD21      ASN  43  13.751  -9.575   3.012
    6   HD22  ASN  43          HD22      ASN  43  14.771  -8.581   2.020

  No H/Q in entry =           6
  In of MODEL    2
    1    H    GLY  44           H        GLY  44   8.720  -9.500   2.346
    2    HA2  GLY  44           HA2      GLY  44   7.789 -12.199   1.823
    3    HA3  GLY  44           HA3      GLY  44   6.640 -10.889   1.484

  No H/Q in entry =           3
  In of MODEL    2
    1    H    GLU  45           H        GLU  45   8.585  -9.797   3.958
    2    HA   GLU  45           HA       GLU  45   7.009 -11.088   6.062
    3    HB2  GLU  45           HB2      GLU  45   9.566  -9.504   6.242
    4    HB3  GLU  45           HB3      GLU  45   8.827 -10.431   7.541
    5    HG2  GLU  45           HG2      GLU  45   9.218 -12.482   6.269
    6    HG3  GLU  45           HG3      GLU  45   9.953 -11.531   4.982

  No H/Q in entry =           6
  In of MODEL    2
    1    H    ARG  46           H        ARG  46   5.955  -9.849   7.625
    2    HA   ARG  46           HA       ARG  46   4.828  -7.419   6.724
    3    HB2  ARG  46           HB2      ARG  46   3.733  -9.127   8.224
    4    HB3  ARG  46           HB3      ARG  46   4.762  -8.555   9.530
    5    HG2  ARG  46           HG2      ARG  46   3.733  -6.363   9.418
    6    HG3  ARG  46           HG3      ARG  46   2.779  -6.862   8.029
    7    HD2  ARG  46           HD2      ARG  46   1.233  -7.888   9.314
    8    HD3  ARG  46           HD3      ARG  46   2.445  -8.623  10.366
    9    HE   ARG  46           HE       ARG  46   2.604  -6.214  11.294
   10   HH11  ARG  46          HH11      ARG  46  -0.315  -7.862  10.257
   11   HH12  ARG  46          HH12      ARG  46  -1.345  -6.985  11.349
   12   HH21  ARG  46          HH21      ARG  46   1.246  -5.048  12.711
   13   HH22  ARG  46          HH22      ARG  46  -0.471  -5.362  12.711

  No H/Q in entry =          13
  In of MODEL    2
    1    H    ILE  47           H        ILE  47   5.363  -5.385   7.018
    2    HA   ILE  47           HA       ILE  47   7.941  -4.681   7.850
    3    HB   ILE  47           HB       ILE  47   5.563  -3.187   6.897
    4   HG12  ILE  47          HG12      ILE  47   8.377  -3.565   5.891
    5   HG13  ILE  47          HG13      ILE  47   6.947  -4.401   5.303
    6   HG21  ILE  47          HG21      ILE  47   8.095  -1.902   7.862
    7   HG22  ILE  47          HG22      ILE  47   6.838  -1.102   6.911
    8   HG23  ILE  47          HG23      ILE  47   6.468  -1.710   8.529
    9   HD11  ILE  47          HD11      ILE  47   7.458  -1.443   5.090
   10   HD12  ILE  47          HD12      ILE  47   7.653  -2.618   3.789
   11   HD13  ILE  47          HD13      ILE  47   6.061  -2.306   4.465

  No H/Q in entry =          11
  In of MODEL    2
    1    H    GLU  48           H        GLU  48   5.045  -4.390   9.771
    2    HA   GLU  48           HA       GLU  48   4.426  -3.505  11.750
    3    HB2  GLU  48           HB2      GLU  48   7.105  -3.708  12.920
    4    HB3  GLU  48           HB3      GLU  48   5.583  -4.403  13.435
    5    HG2  GLU  48           HG2      GLU  48   6.950  -5.416  11.009
    6    HG3  GLU  48           HG3      GLU  48   7.454  -5.937  12.612

  No H/Q in entry =           6
  In of MODEL    2
    1    H    LYS  49           H        LYS  49   6.384  -1.695   9.912
    2    HA   LYS  49           HA       LYS  49   6.573   0.471  11.896
    3    HB2  LYS  49           HB2      LYS  49   8.119   0.557   9.344
    4    HB3  LYS  49           HB3      LYS  49   8.567   1.135  10.947
    5    HG2  LYS  49           HG2      LYS  49   8.204  -1.691  10.967
    6    HG3  LYS  49           HG3      LYS  49   9.351  -1.266   9.738
    7    HD2  LYS  49           HD2      LYS  49  10.655  -0.029  11.381
    8    HD3  LYS  49           HD3      LYS  49   9.454  -0.417  12.614
    9    HE2  LYS  49           HE2      LYS  49  11.359  -1.905  12.808
   10    HE3  LYS  49           HE3      LYS  49   9.927  -2.805  12.309
   11    HZ1  LYS  49           HZ1      LYS  49  10.741  -2.678  10.008
   12    HZ2  LYS  49           HZ2      LYS  49  12.148  -1.908  10.554
   13    HZ3  LYS  49           HZ3      LYS  49  11.819  -3.503  11.028

  No H/Q in entry =          13
  In of MODEL    2
    1    H    VAL  50           H        VAL  50   4.564  -0.583   9.821
    2    HA   VAL  50           HA       VAL  50   4.070   1.611   8.052
    3    HB   VAL  50           HB       VAL  50   2.333  -0.740   8.798
    4   HG11  VAL  50          HG11      VAL  50   1.090   1.084   7.741
    5   HG12  VAL  50          HG12      VAL  50   2.228   1.069   6.388
    6   HG13  VAL  50          HG13      VAL  50   1.194  -0.332   6.685
    7   HG21  VAL  50          HG21      VAL  50   4.330  -0.412   6.573
    8   HG22  VAL  50          HG22      VAL  50   4.448  -1.503   7.955
    9   HG23  VAL  50          HG23      VAL  50   3.203  -1.754   6.736

  No H/Q in entry =           9
  In of MODEL    2
    1    H    GLU  51           H        GLU  51   2.608   3.241   8.278
    2    HA   GLU  51           HA       GLU  51   0.700   3.100  10.499
    3    HB2  GLU  51           HB2      GLU  51   2.201   5.615   9.740
    4    HB3  GLU  51           HB3      GLU  51   0.995   5.449  11.013
    5    HG2  GLU  51           HG2      GLU  51   2.498   3.886  12.180
    6    HG3  GLU  51           HG3      GLU  51   3.726   4.193  10.951

  No H/Q in entry =           6
  In of MODEL    2
    1    H    HIS  52           H        HIS  52  -1.257   4.010  10.103
    2    HA   HIS  52           HA       HIS  52  -1.741   4.945   7.357
    3    HB2  HIS  52           HB2      HIS  52  -4.118   4.315   7.708
    4    HB3  HIS  52           HB3      HIS  52  -3.016   2.951   7.782
    5    HD2  HIS  52           HD2      HIS  52  -2.489   2.114  10.562
    6    HE1  HIS  52           HE1      HIS  52  -6.250   3.595  11.805
    7    HE2  HIS  52           HE2      HIS  52  -4.233   2.224  12.479

  No H/Q in entry =           7
  In of MODEL    2
    1    H    SER  53           H        SER  53  -2.473   6.922   7.015
    2    HA   SER  53           HA       SER  53  -2.767   8.691   9.277
    3    HB2  SER  53           HB2      SER  53  -2.583   9.077   6.304
    4    HB3  SER  53           HB3      SER  53  -3.109  10.411   7.333
    5    HG   SER  53           HG       SER  53  -1.126   9.912   8.586

  No H/Q in entry =           5
  In of MODEL    2
    1    H    ASP  54           H        ASP  54  -4.517  10.580   8.524
    2    HA   ASP  54           HA       ASP  54  -6.918   9.553   9.522
    3    HB2  ASP  54           HB2      ASP  54  -6.101  11.934   9.652
    4    HB3  ASP  54           HB3      ASP  54  -6.600  12.128   7.975

  No H/Q in entry =           4
  In of MODEL    2
    1    H    LEU  55           H        LEU  55  -8.738   8.821   8.637
    2    HA   LEU  55           HA       LEU  55  -8.747   7.942   5.940
    3    HB2  LEU  55           HB2      LEU  55  -9.887   6.643   7.599
    4    HB3  LEU  55           HB3      LEU  55 -10.900   7.997   8.053
    5    HG   LEU  55           HG       LEU  55 -11.118   7.107   5.230
    6   HD11  LEU  55          HD11      LEU  55 -10.871   4.966   6.362
    7   HD12  LEU  55          HD12      LEU  55 -12.138   5.411   7.506
    8   HD13  LEU  55          HD13      LEU  55 -12.528   5.193   5.799
    9   HD21  LEU  55          HD21      LEU  55 -12.571   8.869   6.248
   10   HD22  LEU  55          HD22      LEU  55 -13.465   7.509   5.572
   11   HD23  LEU  55          HD23      LEU  55 -13.248   7.636   7.314

  No H/Q in entry =          11
  In of MODEL    2
    1    H    SER  56           H        SER  56  -9.113   9.333   4.184
    2    HA   SER  56           HA       SER  56 -10.669  11.754   4.689
    3    HB2  SER  56           HB2      SER  56  -8.959  11.017   2.303
    4    HB3  SER  56           HB3      SER  56  -9.658  12.601   2.646
    5    HG   SER  56           HG       SER  56  -8.050  11.434   4.613

  No H/Q in entry =           5
  In of MODEL    2
    1    H    PHE  57           H        PHE  57 -12.385  12.378   3.257
    2    HA   PHE  57           HA       PHE  57 -13.484  10.206   1.629
    3    HB2  PHE  57           HB2      PHE  57 -14.522   9.981   3.867
    4    HB3  PHE  57           HB3      PHE  57 -15.066  11.651   3.781
    5    HD1  PHE  57           HD1      PHE  57 -15.306   8.475   1.833
    6    HD2  PHE  57           HD2      PHE  57 -17.213  12.065   3.096
    7    HE1  PHE  57           HE1      PHE  57 -17.395   7.737   0.762
    8    HE2  PHE  57           HE2      PHE  57 -19.306  11.332   2.026
    9    HZ   PHE  57           HZ       PHE  57 -19.397   9.168   0.856

  No H/Q in entry =           9
  In of MODEL    2
    1    H    SER  58           H        SER  58 -14.390  10.912  -0.213
    2    HA   SER  58           HA       SER  58 -14.709  13.818  -0.507
    3    HB2  SER  58           HB2      SER  58 -14.075  11.748  -2.625
    4    HB3  SER  58           HB3      SER  58 -14.270  13.477  -2.909
    5    HG   SER  58           HG       SER  58 -12.510  13.761  -1.366

  No H/Q in entry =           5
  In of MODEL    2
    1    H    LYS  59           H        LYS  59 -16.537  14.643  -1.414
    2    HA   LYS  59           HA       LYS  59 -18.903  13.579  -0.578
    3    HB2  LYS  59           HB2      LYS  59 -18.387  15.936  -1.345
    4    HB3  LYS  59           HB3      LYS  59 -18.694  15.375  -2.982
    5    HG2  LYS  59           HG2      LYS  59 -20.975  14.711  -2.274
    6    HG3  LYS  59           HG3      LYS  59 -20.647  15.426  -0.694
    7    HD2  LYS  59           HD2      LYS  59 -20.685  16.849  -3.354
    8    HD3  LYS  59           HD3      LYS  59 -21.869  17.003  -2.057
    9    HE2  LYS  59           HE2      LYS  59 -18.966  17.816  -1.924
   10    HE3  LYS  59           HE3      LYS  59 -20.341  18.905  -2.087
   11    HZ1  LYS  59           HZ1      LYS  59 -21.138  17.955   0.090
   12    HZ2  LYS  59           HZ2      LYS  59 -19.605  17.237   0.253
   13    HZ3  LYS  59           HZ3      LYS  59 -19.748  18.925   0.168

  No H/Q in entry =          13
  In of MODEL    2
    1    H    ASP  60           H        ASP  60 -17.467  13.144  -3.760
    2    HA   ASP  60           HA       ASP  60 -19.655  11.309  -4.453
    3    HB2  ASP  60           HB2      ASP  60 -18.604  13.573  -6.139
    4    HB3  ASP  60           HB3      ASP  60 -19.442  12.197  -6.847

  No H/Q in entry =           4
  In of MODEL    2
    1    H    TRP  61           H        TRP  61 -16.922  10.904  -3.513
    2    HA   TRP  61           HA       TRP  61 -15.998   9.256  -5.761
    3    HB2  TRP  61           HB2      TRP  61 -14.204  10.825  -3.890
    4    HB3  TRP  61           HB3      TRP  61 -13.662   9.725  -5.153
    5    HD1  TRP  61           HD1      TRP  61 -14.846  13.264  -4.591
    6    HE1  TRP  61           HE1      TRP  61 -14.690  14.580  -6.794
    7    HE3  TRP  61           HE3      TRP  61 -13.875   9.383  -7.769
    8    HZ2  TRP  61           HZ2      TRP  61 -14.213  14.039  -9.525
    9    HZ3  TRP  61           HZ3      TRP  61 -13.581   9.850 -10.160
   10    HH2  TRP  61           HH2      TRP  61 -13.750  12.162 -11.030

  No H/Q in entry =          10
  In of MODEL    2
    1    H    SER  62           H        SER  62 -14.267   7.660  -4.854
    2    HA   SER  62           HA       SER  62 -15.559   6.136  -2.805
    3    HB2  SER  62           HB2      SER  62 -12.857   5.743  -4.144
    4    HB3  SER  62           HB3      SER  62 -13.720   4.517  -3.204
    5    HG   SER  62           HG       SER  62 -15.434   5.313  -5.005

  No H/Q in entry =           5
  In of MODEL    2
    1    H    PHE  63           H        PHE  63 -15.027   6.004  -0.686
    2    HA   PHE  63           HA       PHE  63 -13.357   7.871   0.564
    3    HB2  PHE  63           HB2      PHE  63 -13.498   6.140   2.513
    4    HB3  PHE  63           HB3      PHE  63 -14.953   6.981   1.992
    5    HD1  PHE  63           HD1      PHE  63 -13.226   3.772   2.151
    6    HD2  PHE  63           HD2      PHE  63 -16.699   5.808   0.758
    7    HE1  PHE  63           HE1      PHE  63 -14.360   1.616   1.819
    8    HE2  PHE  63           HE2      PHE  63 -17.833   3.653   0.426
    9    HZ   PHE  63           HZ       PHE  63 -16.664   1.554   0.956

  No H/Q in entry =           9
  In of MODEL    2
    1    H    TYR  64           H        TYR  64 -11.248   7.851   1.167
    2    HA   TYR  64           HA       TYR  64  -9.647   5.714  -0.072
    3    HB2  TYR  64           HB2      TYR  64  -8.756   8.512   0.684
    4    HB3  TYR  64           HB3      TYR  64  -7.856   7.356  -0.282
    5    HD1  TYR  64           HD1      TYR  64  -8.503   6.929  -2.630
    6    HD2  TYR  64           HD2      TYR  64 -10.486   9.874  -0.279
    7    HE1  TYR  64           HE1      TYR  64  -9.414   7.956  -4.682
    8    HE2  TYR  64           HE2      TYR  64 -11.404  10.894  -2.323
    9    HH   TYR  64           HH       TYR  64 -10.887  11.013  -4.709

  No H/Q in entry =           9
  In of MODEL    2
    1    H    LEU  65           H        LEU  65  -7.986   4.719   1.075
    2    HA   LEU  65           HA       LEU  65  -7.372   5.721   3.744
    3    HB2  LEU  65           HB2      LEU  65  -8.924   4.043   4.290
    4    HB3  LEU  65           HB3      LEU  65  -8.334   2.961   3.044
    5    HG   LEU  65           HG       LEU  65  -6.323   3.522   5.092
    6   HD11  LEU  65          HD11      LEU  65  -8.353   3.714   6.470
    7   HD12  LEU  65          HD12      LEU  65  -8.871   2.129   5.899
    8   HD13  LEU  65          HD13      LEU  65  -7.407   2.282   6.868
    9   HD21  LEU  65          HD21      LEU  65  -6.191   1.755   3.382
   10   HD22  LEU  65          HD22      LEU  65  -6.121   1.107   5.021
   11   HD23  LEU  65          HD23      LEU  65  -7.612   0.988   4.090

  No H/Q in entry =          11
  In of MODEL    2
    1    H    LEU  66           H        LEU  66  -5.271   5.735   4.169
    2    HA   LEU  66           HA       LEU  66  -3.500   4.728   2.039
    3    HB2  LEU  66           HB2      LEU  66  -3.904   7.294   2.782
    4    HB3  LEU  66           HB3      LEU  66  -2.599   6.876   3.844
    5    HG   LEU  66           HG       LEU  66  -2.451   6.591   0.860
    6   HD11  LEU  66          HD11      LEU  66  -1.523   8.814   2.671
    7   HD12  LEU  66          HD12      LEU  66  -0.999   8.621   0.999
    8   HD13  LEU  66          HD13      LEU  66  -2.696   8.921   1.363
    9   HD21  LEU  66          HD21      LEU  66  -0.308   6.497   2.977
   10   HD22  LEU  66          HD22      LEU  66  -0.909   5.127   2.044
   11   HD23  LEU  66          HD23      LEU  66  -0.033   6.430   1.236

  No H/Q in entry =          11
  In of MODEL    2
    1    H    TYR  67           H        TYR  67  -1.916   3.355   2.565
    2    HA   TYR  67           HA       TYR  67  -1.061   3.202   5.376
    3    HB2  TYR  67           HB2      TYR  67  -1.763   1.007   3.502
    4    HB3  TYR  67           HB3      TYR  67  -0.396   0.755   4.580
    5    HD1  TYR  67           HD1      TYR  67  -0.729   0.719   7.020
    6    HD2  TYR  67           HD2      TYR  67  -4.033   0.969   4.348
    7    HE1  TYR  67           HE1      TYR  67  -2.226  -0.020   8.820
    8    HE2  TYR  67           HE2      TYR  67  -5.529   0.229   6.139
    9    HH   TYR  67           HH       TYR  67  -5.149  -1.240   8.374

  No H/Q in entry =           9
  In of MODEL    2
    1    H    TYR  68           H        TYR  68   0.938   3.870   5.619
    2    HA   TYR  68           HA       TYR  68   2.870   3.371   3.444
    3    HB2  TYR  68           HB2      TYR  68   3.722   5.670   3.628
    4    HB3  TYR  68           HB3      TYR  68   2.025   5.659   3.142
    5    HD1  TYR  68           HD1      TYR  68   0.387   6.747   4.457
    6    HD2  TYR  68           HD2      TYR  68   4.326   6.267   5.976
    7    HE1  TYR  68           HE1      TYR  68  -0.126   8.324   6.271
    8    HE2  TYR  68           HE2      TYR  68   3.832   7.839   7.789
    9    HH   TYR  68           HH       TYR  68   0.596   9.027   8.354

  No H/Q in entry =           9
  In of MODEL    2
    1    H    THR  69           H        THR  69   5.140   3.852   4.098
    2    HA   THR  69           HA       THR  69   5.668   3.942   6.945
    3    HB   THR  69           HB       THR  69   5.504   1.495   6.486
    4    HG1  THR  69           HG1      THR  69   6.925   2.100   8.102
    5   HG21  THR  69          HG21      THR  69   7.710   2.097   4.509
    6   HG22  THR  69          HG22      THR  69   7.409   0.480   5.154
    7   HG23  THR  69          HG23      THR  69   6.159   1.291   4.205

  No H/Q in entry =           7
  In of MODEL    2
    1    H    GLU  70           H        GLU  70   7.597   4.906   7.369
    2    HA   GLU  70           HA       GLU  70   8.996   6.139   5.141
    3    HB2  GLU  70           HB2      GLU  70   8.357   7.271   7.345
    4    HB3  GLU  70           HB3      GLU  70   9.646   6.342   8.092
    5    HG2  GLU  70           HG2      GLU  70  11.176   7.427   6.368
    6    HG3  GLU  70           HG3      GLU  70   9.823   8.523   6.052

  No H/Q in entry =           6
  In of MODEL    2
    1    H    PHE  71           H        PHE  71  11.097   5.543   4.484
    2    HA   PHE  71           HA       PHE  71  12.365   3.338   5.824
    3    HB2  PHE  71           HB2      PHE  71  12.261   1.769   3.959
    4    HB3  PHE  71           HB3      PHE  71  10.641   2.172   4.504
    5    HD1  PHE  71           HD1      PHE  71  11.151   0.876   1.941
    6    HD2  PHE  71           HD2      PHE  71  11.048   5.000   2.931
    7    HE1  PHE  71           HE1      PHE  71  10.515   1.391  -0.373
    8    HE2  PHE  71           HE2      PHE  71  10.424   5.546   0.602
    9    HZ   PHE  71           HZ       PHE  71  10.167   3.744  -1.060

  No H/Q in entry =           9
  In of MODEL    2
    1    H    THR  72           H        THR  72  14.377   2.646   4.644
    2    HA   THR  72           HA       THR  72  15.467   4.768   2.927
    3    HB   THR  72           HB       THR  72  16.993   3.080   4.925
    4    HG1  THR  72           HG1      THR  72  16.981   4.836   6.215
    5   HG21  THR  72          HG21      THR  72  17.923   5.352   3.150
    6   HG22  THR  72          HG22      THR  72  18.894   4.551   4.385
    7   HG23  THR  72          HG23      THR  72  18.356   3.651   2.966

  No H/Q in entry =           7
  In of MODEL    2
    1    HA   PRO  73           HA       PRO  73  15.034   0.919   0.379
    2    HB2  PRO  73           HB2      PRO  73  15.659   2.448  -1.914
    3    HB3  PRO  73           HB3      PRO  73  14.042   1.984  -1.368
    4    HG2  PRO  73           HG2      PRO  73  15.522   4.538  -0.990
    5    HG3  PRO  73           HG3      PRO  73  13.782   4.273  -1.208
    6    HD2  PRO  73           HD2      PRO  73  14.801   4.864   1.198
    7    HD3  PRO  73           HD3      PRO  73  13.464   3.696   1.026

  No H/Q in entry =           7
  In of MODEL    2
    1    H    THR  74           H        THR  74  16.471  -0.326  -0.664
    2    HA   THR  74           HA       THR  74  19.177   0.643  -1.116
    3    HB   THR  74           HB       THR  74  20.242  -1.259  -0.065
    4    HG1  THR  74           HG1      THR  74  17.568  -2.098   0.475
    5   HG21  THR  74          HG21      THR  74  18.240  -0.007   1.820
    6   HG22  THR  74          HG22      THR  74  19.683  -0.898   2.314
    7   HG23  THR  74          HG23      THR  74  19.842   0.617   1.424

  No H/Q in entry =           7
  In of MODEL    2
    1    H    GLU  75           H        GLU  75  20.404  -1.205  -2.354
    2    HA   GLU  75           HA       GLU  75  18.887  -1.900  -4.617
    3    HB2  GLU  75           HB2      GLU  75  21.509  -1.751  -4.141
    4    HB3  GLU  75           HB3      GLU  75  21.322  -3.485  -3.994
    5    HG2  GLU  75           HG2      GLU  75  21.871  -3.180  -6.197
    6    HG3  GLU  75           HG3      GLU  75  20.126  -3.291  -6.229

  No H/Q in entry =           6
  In of MODEL    2
    1    H    LYS  76           H        LYS  76  19.709  -3.666  -1.704
    2    HA   LYS  76           HA       LYS  76  18.946  -6.193  -2.835
    3    HB2  LYS  76           HB2      LYS  76  20.177  -5.407  -0.202
    4    HB3  LYS  76           HB3      LYS  76  19.761  -7.061  -0.620
    5    HG2  LYS  76           HG2      LYS  76  21.510  -7.294  -2.024
    6    HG3  LYS  76           HG3      LYS  76  21.413  -5.628  -2.588
    7    HD2  LYS  76           HD2      LYS  76  22.385  -4.881  -0.460
    8    HD3  LYS  76           HD3      LYS  76  22.569  -6.574   0.020
    9    HE2  LYS  76           HE2      LYS  76  23.865  -5.219  -2.351
   10    HE3  LYS  76           HE3      LYS  76  24.675  -5.721  -0.867
   11    HZ1  LYS  76           HZ1      LYS  76  24.010  -8.038  -1.441
   12    HZ2  LYS  76           HZ2      LYS  76  23.467  -7.469  -2.944
   13    HZ3  LYS  76           HZ3      LYS  76  25.108  -7.337  -2.528

  No H/Q in entry =          13
  In of MODEL    2
    1    H    ASP  77           H        ASP  77  17.590  -3.881  -0.504
    2    HA   ASP  77           HA       ASP  77  15.888  -6.020   0.490
    3    HB2  ASP  77           HB2      ASP  77  15.301  -4.670   2.322
    4    HB3  ASP  77           HB3      ASP  77  16.992  -4.293   2.041

  No H/Q in entry =           4
  In of MODEL    2
    1    H    GLU  78           H        GLU  78  13.607  -5.890   0.506
    2    HA   GLU  78           HA       GLU  78  12.583  -4.473  -1.872
    3    HB2  GLU  78           HB2      GLU  78  13.302  -6.796  -2.412
    4    HB3  GLU  78           HB3      GLU  78  12.157  -7.407  -1.235
    5    HG2  GLU  78           HG2      GLU  78  11.009  -7.675  -3.196
    6    HG3  GLU  78           HG3      GLU  78  10.415  -6.094  -2.687

  No H/Q in entry =           6
  In of MODEL    2
    1    H    TYR  79           H        TYR  79  10.383  -3.974  -1.792
    2    HA   TYR  79           HA       TYR  79   8.997  -4.824   0.633
    3    HB2  TYR  79           HB2      TYR  79   8.375  -2.101  -0.411
    4    HB3  TYR  79           HB3      TYR  79   8.325  -2.710   1.245
    5    HD1  TYR  79           HD1      TYR  79  10.056  -2.274   2.733
    6    HD2  TYR  79           HD2      TYR  79  10.693  -1.621  -1.422
    7    HE1  TYR  79           HE1      TYR  79  12.197  -1.173   3.231
    8    HE2  TYR  79           HE2      TYR  79  12.834  -0.536  -0.929
    9    HH   TYR  79           HH       TYR  79  14.473  -0.851   1.756

  No H/Q in entry =           9
  In of MODEL    2
    1    H    ALA  80           H        ALA  80   6.735  -4.869   0.605
    2    HA   ALA  80           HA       ALA  80   5.524  -4.875  -2.069
    3    HB1  ALA  80           HB1      ALA  80   6.283  -7.139  -1.781
    4    HB2  ALA  80           HB2      ALA  80   4.523  -7.090  -1.652
    5    HB3  ALA  80           HB3      ALA  80   5.505  -7.230  -0.189

  No H/Q in entry =           5
  In of MODEL    2
    1    H    CYS  81           H        CYS  81   3.137  -5.028  -1.985
    2    HA   CYS  81           HA       CYS  81   2.057  -3.949   0.545
    3    HB2  CYS  81           HB2      CYS  81   1.703  -3.170  -2.292
    4    HB3  CYS  81           HB3      CYS  81   0.235  -3.195  -1.323

  No H/Q in entry =           4
  In of MODEL    2
    1    H    ARG  82           H        ARG  82   0.443  -5.098   1.467
    2    HA   ARG  82           HA       ARG  82  -0.867  -7.237  -0.124
    3    HB2  ARG  82           HB2      ARG  82   0.667  -7.874   1.873
    4    HB3  ARG  82           HB3      ARG  82  -0.599  -7.188   2.868
    5    HG2  ARG  82           HG2      ARG  82  -2.127  -8.828   1.533
    6    HG3  ARG  82           HG3      ARG  82  -0.604  -9.674   1.260
    7    HD2  ARG  82           HD2      ARG  82  -1.980  -9.067   3.848
    8    HD3  ARG  82           HD3      ARG  82  -1.460 -10.634   3.232
    9    HE   ARG  82           HE       ARG  82   0.437  -8.553   4.123
   10   HH11  ARG  82          HH11      ARG  82  -0.609 -11.911   4.075
   11   HH12  ARG  82          HH12      ARG  82   0.597 -12.417   5.220
   12   HH21  ARG  82          HH21      ARG  82   1.957  -9.211   5.660
   13   HH22  ARG  82          HH22      ARG  82   2.054 -10.893   6.109

  No H/Q in entry =          13
  In of MODEL    2
    1    H    VAL  83           H        VAL  83  -3.100  -7.269  -0.113
    2    HA   VAL  83           HA       VAL  83  -4.431  -5.725   2.012
    3    HB   VAL  83           HB       VAL  83  -5.906  -4.580   0.677
    4   HG11  VAL  83          HG11      VAL  83  -3.398  -4.718  -0.942
    5   HG12  VAL  83          HG12      VAL  83  -4.628  -3.459  -1.052
    6   HG13  VAL  83          HG13      VAL  83  -3.714  -3.670   0.441
    7   HG21  VAL  83          HG21      VAL  83  -5.231  -6.394  -1.628
    8   HG22  VAL  83          HG22      VAL  83  -6.712  -6.427  -0.668
    9   HG23  VAL  83          HG23      VAL  83  -6.349  -5.030  -1.684

  No H/Q in entry =           9
  In of MODEL    2
    1    H    ASN  84           H        ASN  84  -6.261  -6.548   2.769
    2    HA   ASN  84           HA       ASN  84  -7.155  -9.120   1.686
    3    HB2  ASN  84           HB2      ASN  84  -7.432  -8.142   4.547
    4    HB3  ASN  84           HB3      ASN  84  -7.828  -9.744   3.945
    5   HD21  ASN  84          HD21      ASN  84  -5.177  -7.519   4.535
    6   HD22  ASN  84          HD22      ASN  84  -3.964  -8.738   4.719

  No H/Q in entry =           6
  In of MODEL    2
    1    H    HIS  85           H        HIS  85  -9.198  -9.144   0.871
    2    HA   HIS  85           HA       HIS  85 -11.256  -7.686   2.300
    3    HB2  HIS  85           HB2      HIS  85 -10.248  -6.272   0.341
    4    HB3  HIS  85           HB3      HIS  85 -11.147  -7.383  -0.688
    5    HD2  HIS  85           HD2      HIS  85 -11.938  -4.845   2.229
    6    HE1  HIS  85           HE1      HIS  85 -15.312  -5.290  -0.292
    7    HE2  HIS  85           HE2      HIS  85 -14.439  -4.266   1.855

  No H/Q in entry =           7
  In of MODEL    2
    1    H    VAL  86           H        VAL  86 -13.460  -8.379   1.440
    2    HA   VAL  86           HA       VAL  86 -13.492 -11.210   1.342
    3    HB   VAL  86           HB       VAL  86 -15.917 -11.028   1.171
    4   HG11  VAL  86          HG11      VAL  86 -14.886 -10.772   3.365
    5   HG12  VAL  86          HG12      VAL  86 -14.751  -9.032   3.109
    6   HG13  VAL  86          HG13      VAL  86 -16.342  -9.784   3.235
    7   HG21  VAL  86          HG21      VAL  86 -16.005  -9.133  -0.400
    8   HG22  VAL  86          HG22      VAL  86 -17.046  -8.885   1.004
    9   HG23  VAL  86          HG23      VAL  86 -15.497  -8.051   0.895

  No H/Q in entry =           9
  In of MODEL    2
    1    H    THR  87           H        THR  87 -13.372  -8.773  -1.089
    2    HA   THR  87           HA       THR  87 -14.657 -10.249  -3.146
    3    HB   THR  87           HB       THR  87 -13.771  -8.519  -4.631
    4    HG1  THR  87           HG1      THR  87 -12.630  -6.966  -2.707
    5   HG21  THR  87          HG21      THR  87 -14.776  -7.420  -2.013
    6   HG22  THR  87          HG22      THR  87 -14.755  -6.545  -3.543
    7   HG23  THR  87          HG23      THR  87 -15.766  -7.981  -3.359

  No H/Q in entry =           7
  In of MODEL    2
    1    H    LEU  88           H        LEU  88 -11.317  -9.730  -2.164
    2    HA   LEU  88           HA       LEU  88 -10.245 -11.103  -4.436
    3    HB2  LEU  88           HB2      LEU  88  -8.946 -10.210  -1.849
    4    HB3  LEU  88           HB3      LEU  88  -8.075 -10.904  -3.203
    5    HG   LEU  88           HG       LEU  88  -9.533  -8.261  -3.140
    6   HD11  LEU  88          HD11      LEU  88  -7.268  -8.361  -2.093
    7   HD12  LEU  88          HD12      LEU  88  -6.627  -8.882  -3.662
    8   HD13  LEU  88          HD13      LEU  88  -7.368  -7.286  -3.501
    9   HD21  LEU  88          HD21      LEU  88  -8.230  -9.683  -5.457
   10   HD22  LEU  88          HD22      LEU  88  -9.942  -9.291  -5.281
   11   HD23  LEU  88          HD23      LEU  88  -8.757  -7.998  -5.470

  No H/Q in entry =          11
  In of MODEL    2
    1    H    SER  89           H        SER  89 -10.218 -13.249  -4.625
    2    HA   SER  89           HA       SER  89 -11.172 -14.951  -2.583
    3    HB2  SER  89           HB2      SER  89 -10.590 -16.774  -4.192
    4    HB3  SER  89           HB3      SER  89 -11.526 -15.480  -4.921
    5    HG   SER  89           HG       SER  89  -9.266 -16.405  -5.797

  No H/Q in entry =           5
  In of MODEL    2
    1    H    GLN  90           H        GLN  90  -8.048 -13.757  -3.365
    2    HA   GLN  90           HA       GLN  90  -6.935 -15.110  -1.033
    3    HB2  GLN  90           HB2      GLN  90  -5.273 -14.698  -3.517
    4    HB3  GLN  90           HB3      GLN  90  -4.929 -15.729  -2.140
    5    HG2  GLN  90           HG2      GLN  90  -6.336 -17.420  -2.890
    6    HG3  GLN  90           HG3      GLN  90  -7.230 -16.328  -3.961
    7   HE21  GLN  90          HE21      GLN  90  -6.947 -17.596  -5.760
    8   HE22  GLN  90          HE22      GLN  90  -5.410 -17.818  -6.531

  No H/Q in entry =           8
  In of MODEL    2
    1    HA   PRO  91           HA       PRO  91  -6.013 -10.665  -0.233
    2    HB2  PRO  91           HB2      PRO  91  -3.755 -12.162   1.090
    3    HB3  PRO  91           HB3      PRO  91  -4.583 -10.677   1.620
    4    HG2  PRO  91           HG2      PRO  91  -5.312 -12.940   2.710
    5    HG3  PRO  91           HG3      PRO  91  -6.576 -11.831   2.102
    6    HD2  PRO  91           HD2      PRO  91  -5.502 -14.375   0.891
    7    HD3  PRO  91           HD3      PRO  91  -7.190 -13.776   0.909

  No H/Q in entry =           7
  In of MODEL    2
    1    H    LYS  92           H        LYS  92  -4.737  -9.247  -1.214
    2    HA   LYS  92           HA       LYS  92  -3.151 -10.371  -3.375
    3    HB2  LYS  92           HB2      LYS  92  -5.109  -8.782  -3.700
    4    HB3  LYS  92           HB3      LYS  92  -4.032  -7.522  -3.109
    5    HG2  LYS  92           HG2      LYS  92  -4.042  -7.696  -5.564
    6    HG3  LYS  92           HG3      LYS  92  -2.448  -8.018  -4.849
    7    HD2  LYS  92           HD2      LYS  92  -2.427 -10.047  -5.741
    8    HD3  LYS  92           HD3      LYS  92  -3.913 -10.440  -4.890
    9    HE2  LYS  92           HE2      LYS  92  -5.191  -9.356  -6.726
   10    HE3  LYS  92           HE3      LYS  92  -3.674  -9.208  -7.624
   11    HZ1  LYS  92           HZ1      LYS  92  -3.439 -11.660  -7.393
   12    HZ2  LYS  92           HZ2      LYS  92  -5.006 -11.714  -6.748
   13    HZ3  LYS  92           HZ3      LYS  92  -4.758 -11.188  -8.343

  No H/Q in entry =          13
  In of MODEL    2
    1    H    ILE  93           H        ILE  93  -1.080 -10.198  -3.494
    2    HA   ILE  93           HA       ILE  93   0.279  -8.040  -2.017
    3    HB   ILE  93           HB       ILE  93   1.412 -10.707  -2.865
    4   HG12  ILE  93          HG12      ILE  93   1.928 -10.797  -0.332
    5   HG13  ILE  93          HG13      ILE  93   0.724  -9.528  -0.186
    6   HG21  ILE  93          HG21      ILE  93   3.032  -8.898  -3.197
    7   HG22  ILE  93          HG22      ILE  93   2.821  -8.416  -1.509
    8   HG23  ILE  93          HG23      ILE  93   3.520  -9.988  -1.894
    9   HD11  ILE  93          HD11      ILE  93   0.259 -12.263  -1.341
   10   HD12  ILE  93          HD12      ILE  93  -0.207 -11.725   0.272
   11   HD13  ILE  93          HD13      ILE  93  -0.952 -10.996  -1.149

  No H/Q in entry =          11
  In of MODEL    2
    1    H    VAL  94           H        VAL  94   1.289  -6.590  -3.188
    2    HA   VAL  94           HA       VAL  94   2.272  -7.333  -5.851
    3    HB   VAL  94           HB       VAL  94   1.035  -4.654  -5.167
    4   HG11  VAL  94          HG11      VAL  94   2.210  -5.664  -7.753
    5   HG12  VAL  94          HG12      VAL  94   1.371  -4.127  -7.539
    6   HG13  VAL  94          HG13      VAL  94   2.898  -4.422  -6.708
    7   HG21  VAL  94          HG21      VAL  94  -0.661  -6.387  -5.461
    8   HG22  VAL  94          HG22      VAL  94  -0.692  -5.241  -6.800
    9   HG23  VAL  94          HG23      VAL  94   0.049  -6.828  -7.014

  No H/Q in entry =           9
  In of MODEL    2
    1    H    LYS  95           H        LYS  95   4.294  -6.672  -6.228
    2    HA   LYS  95           HA       LYS  95   5.796  -5.814  -3.904
    3    HB2  LYS  95           HB2      LYS  95   6.638  -6.568  -6.681
    4    HB3  LYS  95           HB3      LYS  95   7.751  -5.901  -5.498
    5    HG2  LYS  95           HG2      LYS  95   7.154  -7.815  -3.995
    6    HG3  LYS  95           HG3      LYS  95   6.315  -8.530  -5.379
    7    HD2  LYS  95           HD2      LYS  95   8.316  -8.601  -6.658
    8    HD3  LYS  95           HD3      LYS  95   9.187  -7.636  -5.470
    9    HE2  LYS  95           HE2      LYS  95   9.860  -9.920  -5.243
   10    HE3  LYS  95           HE3      LYS  95   8.888  -9.478  -3.840
   11    HZ1  LYS  95           HZ1      LYS  95   7.853 -10.928  -6.219
   12    HZ2  LYS  95           HZ2      LYS  95   8.329 -11.672  -4.773
   13    HZ3  LYS  95           HZ3      LYS  95   7.009 -10.611  -4.783

  No H/Q in entry =          13
  In of MODEL    2
    1    H    TRP  96           H        TRP  96   6.979  -3.947  -3.750
    2    HA   TRP  96           HA       TRP  96   6.033  -1.667  -5.195
    3    HB2  TRP  96           HB2      TRP  96   6.794  -1.386  -2.883
    4    HB3  TRP  96           HB3      TRP  96   8.401  -1.989  -3.299
    5    HD1  TRP  96           HD1      TRP  96   6.104   1.016  -4.197
    6    HE1  TRP  96           HE1      TRP  96   7.608   3.037  -4.660
    7    HE3  TRP  96           HE3      TRP  96  10.661  -1.237  -3.694
    8    HZ2  TRP  96           HZ2      TRP  96  10.367   3.618  -4.793
    9    HZ3  TRP  96           HZ3      TRP  96  12.689   0.115  -4.001
   10    HH2  TRP  96           HH2      TRP  96  12.539   2.510  -4.545

  No H/Q in entry =          10
  In of MODEL    2
    1    H    ASP  97           H        ASP  97   6.575  -1.342  -7.235
    2    HA   ASP  97           HA       ASP  97   9.083  -2.552  -8.177
    3    HB2  ASP  97           HB2      ASP  97   6.686  -1.749  -9.849
    4    HB3  ASP  97           HB3      ASP  97   8.191  -2.431 -10.465

  No H/Q in entry =           4
  In of MODEL    2
    1    H    ARG  98           H        ARG  98  10.667  -1.296  -8.458
    2    HA   ARG  98           HA       ARG  98  10.184   1.561  -8.786
    3    HB2  ARG  98           HB2      ARG  98  12.546   1.843  -8.169
    4    HB3  ARG  98           HB3      ARG  98  11.648   0.995  -6.942
    5    HG2  ARG  98           HG2      ARG  98  12.959  -0.758  -7.003
    6    HG3  ARG  98           HG3      ARG  98  12.832  -0.907  -8.753
    7    HD2  ARG  98           HD2      ARG  98  14.620   1.198  -8.357
    8    HD3  ARG  98           HD3      ARG  98  15.018   0.057  -7.066
    9    HE   ARG  98           HE       ARG  98  14.873  -0.835  -9.860
   10   HH11  ARG  98          HH11      ARG  98  16.582  -0.531  -6.823
   11   HH12  ARG  98          HH12      ARG  98  18.054  -1.245  -7.421
   12   HH21  ARG  98          HH21      ARG  98  16.798  -1.840 -10.647
   13   HH22  ARG  98          HH22      ARG  98  18.168  -1.999  -9.590

  No H/Q in entry =          13
  In of MODEL    2
    1    H    ASP  99           H        ASP  99  11.912  -1.132 -10.202
    2    HA   ASP  99           HA       ASP  99  12.017   0.378 -12.727
    3    HB2  ASP  99           HB2      ASP  99  14.260   0.189 -11.700
    4    HB3  ASP  99           HB3      ASP  99  14.091  -1.562 -11.673

  No H/Q in entry =           4
  In of MODEL    2
    1    H    MET 100           H        MET 100  10.898  -2.284 -11.073
    2    HA   MET 100           HA       MET 100  11.127  -4.244 -13.153
    3    HB2  MET 100           HB2      MET 100   9.344  -4.367 -10.719
    4    HB3  MET 100           HB3      MET 100   9.956  -5.714 -11.669
    5    HG2  MET 100           HG2      MET 100  11.558  -3.875  -9.910
    6    HG3  MET 100           HG3      MET 100  11.159  -5.563  -9.594
    7    HE1  MET 100           HE1      MET 100  13.678  -6.150  -9.120
    8    HE2  MET 100           HE2      MET 100  15.005  -5.737 -10.205
    9    HE3  MET 100           HE3      MET 100  14.111  -4.458  -9.382

  No H/Q in entry =           9
  In of MODEL    3
    1    HA   ILE   2           HA       ILE   2 -20.790  -9.201  -3.587
    2    HB   ILE   2           HB       ILE   2 -19.892  -9.558  -1.261
    3   HG12  ILE   2          HG12      ILE   2 -18.056 -11.513  -2.678
    4   HG13  ILE   2          HG13      ILE   2 -17.554 -10.082  -1.783
    5   HG21  ILE   2          HG21      ILE   2 -21.734 -10.876  -2.141
    6   HG22  ILE   2          HG22      ILE   2 -20.598 -12.035  -2.832
    7   HG23  ILE   2          HG23      ILE   2 -20.720 -11.855  -1.081
    8   HD11  ILE   2          HD11      ILE   2 -18.413 -11.082   0.277
    9   HD12  ILE   2          HD12      ILE   2 -18.881 -12.521  -0.627
   10   HD13  ILE   2          HD13      ILE   2 -17.179 -12.084  -0.486

  No H/Q in entry =          10
  In of MODEL    3
    1    H    GLN   3           H        GLN   3 -20.518  -7.172  -2.721
    2    HA   GLN   3           HA       GLN   3 -19.658  -5.069  -2.535
    3    HB2  GLN   3           HB2      GLN   3 -16.945  -6.373  -2.202
    4    HB3  GLN   3           HB3      GLN   3 -17.388  -4.768  -1.683
    5    HG2  GLN   3           HG2      GLN   3 -18.306  -7.374  -0.518
    6    HG3  GLN   3           HG3      GLN   3 -17.176  -6.234   0.199
    7   HE21  GLN   3          HE21      GLN   3 -20.505  -6.944  -0.430
    8   HE22  GLN   3          HE22      GLN   3 -21.171  -5.667   0.534

  No H/Q in entry =           8
  In of MODEL    3
    1    H    ARG   4           H        ARG   4 -17.226  -4.004  -3.307
    2    HA   ARG   4           HA       ARG   4 -16.856  -4.813  -6.109
    3    HB2  ARG   4           HB2      ARG   4 -17.711  -2.572  -6.122
    4    HB3  ARG   4           HB3      ARG   4 -16.637  -2.089  -4.816
    5    HG2  ARG   4           HG2      ARG   4 -14.762  -1.968  -6.186
    6    HG3  ARG   4           HG3      ARG   4 -15.473  -3.023  -7.422
    7    HD2  ARG   4           HD2      ARG   4 -15.355  -0.713  -8.205
    8    HD3  ARG   4           HD3      ARG   4 -17.039  -1.213  -8.050
    9    HE   ARG   4           HE       ARG   4 -16.029   0.117  -5.712
   10   HH11  ARG   4          HH11      ARG   4 -17.450   0.585  -8.878
   11   HH12  ARG   4          HH12      ARG   4 -17.980   2.205  -8.536
   12   HH21  ARG   4          HH21      ARG   4 -16.735   2.270  -5.266
   13   HH22  ARG   4          HH22      ARG   4 -17.569   3.158  -6.508

  No H/Q in entry =          13
  In of MODEL    3
    1    H    THR   5           H        THR   5 -14.732  -5.171  -6.793
    2    HA   THR   5           HA       THR   5 -13.018  -6.089  -4.718
    3    HB   THR   5           HB       THR   5 -11.512  -6.819  -6.466
    4    HG1  THR   5           HG1      THR   5 -12.297  -4.724  -7.760
    5   HG21  THR   5          HG21      THR   5 -14.433  -7.243  -7.031
    6   HG22  THR   5          HG22      THR   5 -13.171  -8.061  -7.949
    7   HG23  THR   5          HG23      THR   5 -13.301  -8.317  -6.211

  No H/Q in entry =           7
  In of MODEL    3
    1    HA   PRO   6           HA       PRO   6 -10.627  -2.279  -4.314
    2    HB2  PRO   6           HB2      PRO   6  -8.957  -3.734  -2.440
    3    HB3  PRO   6           HB3      PRO   6 -10.054  -2.389  -2.125
    4    HG2  PRO   6           HG2      PRO   6 -10.482  -4.968  -1.264
    5    HG3  PRO   6           HG3      PRO   6 -11.772  -3.764  -1.514
    6    HD2  PRO   6           HD2      PRO   6 -10.931  -6.057  -3.252
    7    HD3  PRO   6           HD3      PRO   6 -12.548  -5.359  -2.982

  No H/Q in entry =           7
  In of MODEL    3
    1    H    LYS   7           H        LYS   7  -9.010  -1.735  -5.635
    2    HA   LYS   7           HA       LYS   7  -7.260  -3.864  -6.641
    3    HB2  LYS   7           HB2      LYS   7  -8.537  -2.555  -8.308
    4    HB3  LYS   7           HB3      LYS   7  -7.794  -1.075  -7.723
    5    HG2  LYS   7           HG2      LYS   7  -5.586  -1.977  -8.407
    6    HG3  LYS   7           HG3      LYS   7  -6.418  -3.366  -9.109
    7    HD2  LYS   7           HD2      LYS   7  -7.663  -1.858 -10.590
    8    HD3  LYS   7           HD3      LYS   7  -6.811  -0.478  -9.897
    9    HE2  LYS   7           HE2      LYS   7  -4.675  -1.460 -10.662
   10    HE3  LYS   7           HE3      LYS   7  -5.577  -2.771 -11.419
   11    HZ1  LYS   7           HZ1      LYS   7  -6.719  -1.082 -12.786
   12    HZ2  LYS   7           HZ2      LYS   7  -5.718   0.114 -12.118
   13    HZ3  LYS   7           HZ3      LYS   7  -5.043  -1.128 -13.058

  No H/Q in entry =          13
  In of MODEL    3
    1    H    ILE   8           H        ILE   8  -4.975  -3.462  -6.851
    2    HA   ILE   8           HA       ILE   8  -4.031  -1.944  -4.527
    3    HB   ILE   8           HB       ILE   8  -2.260  -3.779  -6.086
    4   HG12  ILE   8          HG12      ILE   8  -4.245  -5.128  -5.796
    5   HG13  ILE   8          HG13      ILE   8  -3.016  -5.671  -4.666
    6   HG21  ILE   8          HG21      ILE   8  -2.498  -3.093  -3.158
    7   HG22  ILE   8          HG22      ILE   8  -1.297  -4.176  -3.858
    8   HG23  ILE   8          HG23      ILE   8  -1.298  -2.466  -4.288
    9   HD11  ILE   8          HD11      ILE   8  -4.125  -4.435  -2.881
   10   HD12  ILE   8          HD12      ILE   8  -5.370  -3.925  -4.020
   11   HD13  ILE   8          HD13      ILE   8  -5.184  -5.635  -3.624

  No H/Q in entry =          11
  In of MODEL    3
    1    H    GLN   9           H        GLN   9  -3.039  -0.056  -4.826
    2    HA   GLN   9           HA       GLN   9  -1.213   0.130  -7.115
    3    HB2  GLN   9           HB2      GLN   9  -3.014   2.295  -6.035
    4    HB3  GLN   9           HB3      GLN   9  -1.632   2.629  -7.086
    5    HG2  GLN   9           HG2      GLN   9  -2.689   1.082  -8.763
    6    HG3  GLN   9           HG3      GLN   9  -4.122   1.070  -7.736
    7   HE21  GLN   9          HE21      GLN   9  -5.341   2.951  -7.527
    8   HE22  GLN   9          HE22      GLN   9  -5.193   4.276  -8.638

  No H/Q in entry =           8
  In of MODEL    3
    1    H    VAL  10           H        VAL  10   0.796   0.251  -6.432
    2    HA   VAL  10           HA       VAL  10   1.383   1.673  -3.939
    3    HB   VAL  10           HB       VAL  10   1.455  -0.535  -3.122
    4   HG11  VAL  10          HG11      VAL  10   1.269  -1.649  -5.311
    5   HG12  VAL  10          HG12      VAL  10   2.997  -1.395  -5.561
    6   HG13  VAL  10          HG13      VAL  10   2.437  -2.422  -4.238
    7   HG21  VAL  10          HG21      VAL  10   4.272   0.121  -3.989
    8   HG22  VAL  10          HG22      VAL  10   3.473   0.680  -2.520
    9   HG23  VAL  10          HG23      VAL  10   3.832  -1.034  -2.732

  No H/Q in entry =           9
  In of MODEL    3
    1    H    TYR  11           H        TYR  11   3.028   3.000  -4.052
    2    HA   TYR  11           HA       TYR  11   5.243   2.670  -5.804
    3    HB2  TYR  11           HB2      TYR  11   4.846   4.696  -7.192
    4    HB3  TYR  11           HB3      TYR  11   3.673   3.430  -7.506
    5    HD1  TYR  11           HD1      TYR  11   4.184   6.782  -6.103
    6    HD2  TYR  11           HD2      TYR  11   1.337   3.732  -6.948
    7    HE1  TYR  11           HE1      TYR  11   2.360   8.400  -5.778
    8    HE2  TYR  11           HE2      TYR  11  -0.492   5.341  -6.619
    9    HH   TYR  11           HH       TYR  11  -0.010   8.672  -6.509

  No H/Q in entry =           9
  In of MODEL    3
    1    H    SER  12           H        SER  12   6.624   4.781  -5.694
    2    HA   SER  12           HA       SER  12   6.754   5.367  -2.851
    3    HB2  SER  12           HB2      SER  12   8.792   4.769  -4.180
    4    HB3  SER  12           HB3      SER  12   8.605   6.282  -5.057
    5    HG   SER  12           HG       SER  12   9.868   5.918  -2.791

  No H/Q in entry =           5
  In of MODEL    3
    1    H    ARG  13           H        ARG  13   6.387   7.290  -1.898
    2    HA   ARG  13           HA       ARG  13   4.615   9.059  -3.265
    3    HB2  ARG  13           HB2      ARG  13   4.657   8.534  -0.752
    4    HB3  ARG  13           HB3      ARG  13   6.040   9.604  -0.634
    5    HG2  ARG  13           HG2      ARG  13   3.347  10.537  -1.634
    6    HG3  ARG  13           HG3      ARG  13   3.827  10.562   0.055
    7    HD2  ARG  13           HD2      ARG  13   5.344  11.934  -2.153
    8    HD3  ARG  13           HD3      ARG  13   4.157  12.720  -1.120
    9    HE   ARG  13           HE       ARG  13   6.706  11.584  -0.182
   10   HH11  ARG  13          HH11      ARG  13   4.064  13.864   0.113
   11   HH12  ARG  13          HH12      ARG  13   4.777  14.709   1.463
   12   HH21  ARG  13          HH21      ARG  13   7.632  12.677   1.603
   13   HH22  ARG  13          HH22      ARG  13   6.781  13.998   2.341

  No H/Q in entry =          13
  In of MODEL    3
    1    H    HIS  14           H        HIS  14   7.981   9.389  -2.223
    2    HA   HIS  14           HA       HIS  14   8.253  11.655  -4.066
    3    HB2  HIS  14           HB2      HIS  14   9.447  11.036  -1.415
    4    HB3  HIS  14           HB3      HIS  14  10.514  11.815  -2.581
    5    HD2  HIS  14           HD2      HIS  14   7.435  13.487  -3.491
    6    HE1  HIS  14           HE1      HIS  14   8.681  15.522   0.004
    7    HE2  HIS  14           HE2      HIS  14   7.046  15.523  -1.926

  No H/Q in entry =           7
  In of MODEL    3
    1    HA   PRO  15           HA       PRO  15  11.403   9.544  -6.551
    2    HB2  PRO  15           HB2      PRO  15  13.894  10.490  -5.669
    3    HB3  PRO  15           HB3      PRO  15  12.919  11.173  -6.984
    4    HG2  PRO  15           HG2      PRO  15  13.165  12.088  -4.125
    5    HG3  PRO  15           HG3      PRO  15  12.921  13.050  -5.619
    6    HD2  PRO  15           HD2      PRO  15  10.903  12.574  -3.893
    7    HD3  PRO  15           HD3      PRO  15  10.632  12.642  -5.660

  No H/Q in entry =           7
  In of MODEL    3
    1    H    ALA  16           H        ALA  16  12.368   7.586  -6.460
    2    HA   ALA  16           HA       ALA  16  12.785   6.396  -3.838
    3    HB1  ALA  16           HB1      ALA  16  11.476   5.170  -5.504
    4    HB2  ALA  16           HB2      ALA  16  12.870   5.136  -6.587
    5    HB3  ALA  16           HB3      ALA  16  12.927   4.277  -5.046

  No H/Q in entry =           5
  In of MODEL    3
    1    H    GLU  17           H        GLU  17  14.767   6.619  -2.937
    2    HA   GLU  17           HA       GLU  17  17.082   6.386  -4.715
    3    HB2  GLU  17           HB2      GLU  17  16.660   8.682  -3.766
    4    HB3  GLU  17           HB3      GLU  17  16.901   8.009  -2.159
    5    HG2  GLU  17           HG2      GLU  17  19.201   7.499  -2.661
    6    HG3  GLU  17           HG3      GLU  17  18.962   7.973  -4.338

  No H/Q in entry =           6
  In of MODEL    3
    1    H    ASN  18           H        ASN  18  18.440   4.774  -4.243
    2    HA   ASN  18           HA       ASN  18  17.991   3.128  -1.913
    3    HB2  ASN  18           HB2      ASN  18  18.476   1.815  -3.759
    4    HB3  ASN  18           HB3      ASN  18  19.736   2.904  -4.346
    5   HD21  ASN  18          HD21      ASN  18  21.322   1.379  -4.560
    6   HD22  ASN  18          HD22      ASN  18  22.023   0.538  -3.217

  No H/Q in entry =           6
  In of MODEL    3
    1    H    GLY  19           H        GLY  19  19.069   3.073  -0.105
    2    HA2  GLY  19           HA2      GLY  19  21.700   4.298   0.187
    3    HA3  GLY  19           HA3      GLY  19  20.806   3.411   1.433

  No H/Q in entry =           3
  In of MODEL    3
    1    H    LYS  20           H        LYS  20  18.411   5.031   0.639
    2    HA   LYS  20           HA       LYS  20  19.002   7.473   2.130
    3    HB2  LYS  20           HB2      LYS  20  19.314   7.837  -0.328
    4    HB3  LYS  20           HB3      LYS  20  17.636   7.389  -0.556
    5    HG2  LYS  20           HG2      LYS  20  17.840   9.767  -0.586
    6    HG3  LYS  20           HG3      LYS  20  16.942   9.288   0.836
    7    HD2  LYS  20           HD2      LYS  20  18.775   9.726   2.211
    8    HD3  LYS  20           HD3      LYS  20  19.888   9.854   0.869
    9    HE2  LYS  20           HE2      LYS  20  17.642  11.764   1.538
   10    HE3  LYS  20           HE3      LYS  20  19.370  12.068   1.740
   11    HZ1  LYS  20           HZ1      LYS  20  17.992  11.593  -0.853
   12    HZ2  LYS  20           HZ2      LYS  20  18.510  13.098  -0.270
   13    HZ3  LYS  20           HZ3      LYS  20  19.648  11.899  -0.654

  No H/Q in entry =          13
  In of MODEL    3
    1    H    SER  21           H        SER  21  17.192   8.411   3.066
    2    HA   SER  21           HA       SER  21  15.100   6.611   3.716
    3    HB2  SER  21           HB2      SER  21  15.365   9.568   4.229
    4    HB3  SER  21           HB3      SER  21  14.252   8.464   5.043
    5    HG   SER  21           HG       SER  21  15.920   7.528   6.091

  No H/Q in entry =           5
  In of MODEL    3
    1    H    ASN  22           H        ASN  22  13.096   6.478   2.942
    2    HA   ASN  22           HA       ASN  22  12.213   8.340   0.842
    3    HB2  ASN  22           HB2      ASN  22  13.466   6.229  -0.081
    4    HB3  ASN  22           HB3      ASN  22  12.092   5.325   0.521
    5   HD21  ASN  22          HD21      ASN  22  11.614   8.525  -0.844
    6   HD22  ASN  22          HD22      ASN  22  10.877   7.953  -2.306

  No H/Q in entry =           6
  In of MODEL    3
    1    H    PHE  23           H        PHE  23   9.820   7.834   0.304
    2    HA   PHE  23           HA       PHE  23   8.474   6.887   2.744
    3    HB2  PHE  23           HB2      PHE  23   7.829   9.295   1.038
    4    HB3  PHE  23           HB3      PHE  23   6.678   8.591   2.165
    5    HD1  PHE  23           HD1      PHE  23   6.547   9.452   4.275
    6    HD2  PHE  23           HD2      PHE  23  10.179   9.909   2.101
    7    HE1  PHE  23           HE1      PHE  23   7.452  10.845   6.089
    8    HE2  PHE  23           HE2      PHE  23  11.093  11.295   3.919
    9    HZ   PHE  23           HZ       PHE  23   9.729  11.754   5.918

  No H/Q in entry =           9
  In of MODEL    3
    1    H    LEU  24           H        LEU  24   7.346   5.112   2.297
    2    HA   LEU  24           HA       LEU  24   6.682   4.382  -0.408
    3    HB2  LEU  24           HB2      LEU  24   6.972   3.056   2.037
    4    HB3  LEU  24           HB3      LEU  24   5.286   2.854   1.613
    5    HG   LEU  24           HG       LEU  24   7.684   1.992  -0.036
    6   HD11  LEU  24          HD11      LEU  24   7.197   0.575   1.905
    7   HD12  LEU  24          HD12      LEU  24   5.531   0.401   1.354
    8   HD13  LEU  24          HD13      LEU  24   6.850  -0.259   0.389
    9   HD21  LEU  24          HD21      LEU  24   4.740   1.784  -0.668
   10   HD22  LEU  24          HD22      LEU  24   5.949   2.716  -1.553
   11   HD23  LEU  24          HD23      LEU  24   6.028   0.954  -1.541

  No H/Q in entry =          11
  In of MODEL    3
    1    H    ASN  25           H        ASN  25   4.533   3.927  -1.121
    2    HA   ASN  25           HA       ASN  25   2.386   5.121   0.435
    3    HB2  ASN  25           HB2      ASN  25   2.973   6.985  -0.938
    4    HB3  ASN  25           HB3      ASN  25   3.166   5.971  -2.363
    5   HD21  ASN  25          HD21      ASN  25   1.374   5.353  -3.516
    6   HD22  ASN  25          HD22      ASN  25  -0.183   6.057  -3.266

  No H/Q in entry =           6
  In of MODEL    3
    1    H    CYS  26           H        CYS  26   0.688   3.807   0.463
    2    HA   CYS  26           HA       CYS  26   0.320   1.912  -1.756
    3    HB2  CYS  26           HB2      CYS  26   1.310   0.997   0.483
    4    HB3  CYS  26           HB3      CYS  26  -0.351   1.151   1.067

  No H/Q in entry =           4
  In of MODEL    3
    1    H    TYR  27           H        TYR  27  -1.603   2.113  -2.657
    2    HA   TYR  27           HA       TYR  27  -3.717   3.523  -1.160
    3    HB2  TYR  27           HB2      TYR  27  -2.546   4.029  -3.808
    4    HB3  TYR  27           HB3      TYR  27  -4.301   3.963  -3.812
    5    HD1  TYR  27           HD1      TYR  27  -1.387   5.912  -2.955
    6    HD2  TYR  27           HD2      TYR  27  -5.582   5.578  -2.372
    7    HE1  TYR  27           HE1      TYR  27  -1.474   8.268  -2.268
    8    HE2  TYR  27           HE2      TYR  27  -5.683   7.932  -1.682
    9    HH   TYR  27           HH       TYR  27  -4.148   9.636  -0.730

  No H/Q in entry =           9
  In of MODEL    3
    1    H    VAL  28           H        VAL  28  -5.141   1.985  -0.638
    2    HA   VAL  28           HA       VAL  28  -6.026   0.197  -2.805
    3    HB   VAL  28           HB       VAL  28  -6.609  -0.391   0.079
    4   HG11  VAL  28          HG11      VAL  28  -6.281  -2.074  -2.396
    5   HG12  VAL  28          HG12      VAL  28  -6.607  -2.711  -0.784
    6   HG13  VAL  28          HG13      VAL  28  -7.792  -1.675  -1.577
    7   HG21  VAL  28          HG21      VAL  28  -4.041  -1.031  -1.362
    8   HG22  VAL  28          HG22      VAL  28  -4.238  -0.138   0.149
    9   HG23  VAL  28          HG23      VAL  28  -4.585  -1.867   0.095

  No H/Q in entry =           9
  In of MODEL    3
    1    H    SER  29           H        SER  29  -7.825   0.998  -3.659
    2    HA   SER  29           HA       SER  29 -10.004   1.788  -1.915
    3    HB2  SER  29           HB2      SER  29  -8.601   3.843  -2.285
    4    HB3  SER  29           HB3      SER  29  -8.989   3.728  -3.999
    5    HG   SER  29           HG       SER  29 -10.724   4.238  -1.820

  No H/Q in entry =           5
  In of MODEL    3
    1    H    GLY  30           H        GLY  30 -11.823   2.744  -3.525
    2    HA2  GLY  30           HA2      GLY  30 -12.012   1.107  -5.925
    3    HA3  GLY  30           HA3      GLY  30 -13.163   2.333  -5.397

  No H/Q in entry =           3
  In of MODEL    3
    1    H    PHE  31           H        PHE  31 -12.962   1.044  -2.645
    2    HA   PHE  31           HA       PHE  31 -14.615  -1.321  -3.201
    3    HB2  PHE  31           HB2      PHE  31 -13.614  -2.426  -1.291
    4    HB3  PHE  31           HB3      PHE  31 -12.327  -1.862  -2.375
    5    HD1  PHE  31           HD1      PHE  31 -10.880  -0.036  -1.756
    6    HD2  PHE  31           HD2      PHE  31 -13.936  -1.373   0.879
    7    HE1  PHE  31           HE1      PHE  31  -9.849   1.232   0.079
    8    HE2  PHE  31           HE2      PHE  31 -12.904  -0.117   2.721
    9    HZ   PHE  31           HZ       PHE  31 -10.863   1.192   2.320

  No H/Q in entry =           9
  In of MODEL    3
    1    H    HIS  32           H        HIS  32 -15.530  -2.024  -0.897
    2    HA   HIS  32           HA       HIS  32 -16.514   0.152   0.734
    3    HB2  HIS  32           HB2      HIS  32 -18.527  -1.652  -0.709
    4    HB3  HIS  32           HB3      HIS  32 -18.900  -0.508   0.566
    5    HD2  HIS  32           HD2      HIS  32 -18.379  -0.610  -3.239
    6    HE1  HIS  32           HE1      HIS  32 -19.087   3.397  -2.083
    7    HE2  HIS  32           HE2      HIS  32 -19.156   1.748  -4.002

  No H/Q in entry =           7
  In of MODEL    3
    1    HA   PRO  33           HA       PRO  33 -18.919  -0.443   2.319
    2    HB2  PRO  33           HB2      PRO  33 -17.913  -0.574   5.107
    3    HB3  PRO  33           HB3      PRO  33 -19.571  -0.638   4.500
    4    HG2  PRO  33           HG2      PRO  33 -18.362  -2.841   5.387
    5    HG3  PRO  33           HG3      PRO  33 -19.429  -2.894   3.972
    6    HD2  PRO  33           HD2      PRO  33 -16.438  -2.900   4.092
    7    HD3  PRO  33           HD3      PRO  33 -17.526  -3.826   3.029

  No H/Q in entry =           7
  In of MODEL    3
    1    H    SER  34           H        SER  34 -16.054   0.074   4.576
    2    HA   SER  34           HA       SER  34 -15.314   2.407   3.062
    3    HB2  SER  34           HB2      SER  34 -16.409   2.633   5.883
    4    HB3  SER  34           HB3      SER  34 -15.575   3.925   5.021
    5    HG   SER  34           HG       SER  34 -17.550   2.993   3.481

  No H/Q in entry =           5
  In of MODEL    3
    1    H    ASP  35           H        ASP  35 -14.350  -0.218   4.181
    2    HA   ASP  35           HA       ASP  35 -11.874   0.723   5.357
    3    HB2  ASP  35           HB2      ASP  35 -12.899   0.632   7.419
    4    HB3  ASP  35           HB3      ASP  35 -13.909  -0.745   6.982

  No H/Q in entry =           4
  In of MODEL    3
    1    H    ILE  36           H        ILE  36 -10.199  -0.542   4.995
    2    HA   ILE  36           HA       ILE  36 -10.514  -3.385   4.409
    3    HB   ILE  36           HB       ILE  36 -10.435  -2.074   2.175
    4   HG12  ILE  36          HG12      ILE  36  -8.646  -4.332   2.994
    5   HG13  ILE  36          HG13      ILE  36 -10.049  -4.355   1.931
    6   HG21  ILE  36          HG21      ILE  36  -7.589  -1.721   3.111
    7   HG22  ILE  36          HG22      ILE  36  -8.130  -1.461   1.452
    8   HG23  ILE  36          HG23      ILE  36  -8.740  -0.436   2.748
    9   HD11  ILE  36          HD11      ILE  36  -7.387  -3.143   1.218
   10   HD12  ILE  36          HD12      ILE  36  -7.902  -4.767   0.770
   11   HD13  ILE  36          HD13      ILE  36  -8.771  -3.364   0.146

  No H/Q in entry =          11
  In of MODEL    3
    1    H    GLU  37           H        GLU  37  -8.490  -4.546   4.811
    2    HA   GLU  37           HA       GLU  37  -6.575  -2.929   6.321
    3    HB2  GLU  37           HB2      GLU  37  -7.760  -4.908   7.441
    4    HB3  GLU  37           HB3      GLU  37  -6.802  -5.928   6.373
    5    HG2  GLU  37           HG2      GLU  37  -5.720  -5.790   8.519
    6    HG3  GLU  37           HG3      GLU  37  -4.744  -4.933   7.326

  No H/Q in entry =           6
  In of MODEL    3
    1    H    VAL  38           H        VAL  38  -4.682  -2.608   5.456
    2    HA   VAL  38           HA       VAL  38  -3.645  -4.520   3.513
    3    HB   VAL  38           HB       VAL  38  -3.935  -3.109   1.822
    4   HG11  VAL  38          HG11      VAL  38  -4.527  -0.959   3.831
    5   HG12  VAL  38          HG12      VAL  38  -4.744  -0.804   2.086
    6   HG13  VAL  38          HG13      VAL  38  -5.683  -1.991   2.992
    7   HG21  VAL  38          HG21      VAL  38  -1.985  -1.299   3.248
    8   HG22  VAL  38          HG22      VAL  38  -1.576  -2.615   2.149
    9   HG23  VAL  38          HG23      VAL  38  -2.425  -1.190   1.539

  No H/Q in entry =           9
  In of MODEL    3
    1    H    ASP  39           H        ASP  39  -1.565  -4.947   3.676
    2    HA   ASP  39           HA       ASP  39  -0.049  -3.559   5.786
    3    HB2  ASP  39           HB2      ASP  39  -0.033  -5.453   6.994
    4    HB3  ASP  39           HB3      ASP  39  -0.972  -6.266   5.754

  No H/Q in entry =           4
  In of MODEL    3
    1    H    LEU  40           H        LEU  40   2.174  -3.408   5.477
    2    HA   LEU  40           HA       LEU  40   2.968  -3.718   2.676
    3    HB2  LEU  40           HB2      LEU  40   4.446  -2.144   4.771
    4    HB3  LEU  40           HB3      LEU  40   4.618  -2.047   3.030
    5    HG   LEU  40           HG       LEU  40   2.260  -1.085   4.647
    6   HD11  LEU  40          HD11      LEU  40   4.387   0.394   3.111
    7   HD12  LEU  40          HD12      LEU  40   2.979   1.132   3.873
    8   HD13  LEU  40          HD13      LEU  40   4.205   0.342   4.866
    9   HD21  LEU  40          HD21      LEU  40   2.734  -0.987   1.676
   10   HD22  LEU  40          HD22      LEU  40   1.477  -1.899   2.513
   11   HD23  LEU  40          HD23      LEU  40   1.450  -0.131   2.536

  No H/Q in entry =          11
  In of MODEL    3
    1    H    LEU  41           H        LEU  41   4.772  -4.854   2.106
    2    HA   LEU  41           HA       LEU  41   5.799  -6.634   4.205
    3    HB2  LEU  41           HB2      LEU  41   5.739  -7.226   1.275
    4    HB3  LEU  41           HB3      LEU  41   6.050  -8.333   2.580
    5    HG   LEU  41           HG       LEU  41   3.397  -7.011   2.075
    6   HD11  LEU  41          HD11      LEU  41   3.993  -8.550   0.286
    7   HD12  LEU  41          HD12      LEU  41   4.334  -9.812   1.471
    8   HD13  LEU  41          HD13      LEU  41   2.689  -9.208   1.272
    9   HD21  LEU  41          HD21      LEU  41   4.219  -9.215   3.963
   10   HD22  LEU  41          HD22      LEU  41   3.761  -7.572   4.414
   11   HD23  LEU  41          HD23      LEU  41   2.569  -8.653   3.693

  No H/Q in entry =          11
  In of MODEL    3
    1    H    LYS  42           H        LYS  42   7.733  -7.804   3.309
    2    HA   LYS  42           HA       LYS  42   9.738  -6.194   2.018
    3    HB2  LYS  42           HB2      LYS  42   9.889  -6.789   4.945
    4    HB3  LYS  42           HB3      LYS  42  11.362  -6.684   3.989
    5    HG2  LYS  42           HG2      LYS  42  10.972  -4.430   3.443
    6    HG3  LYS  42           HG3      LYS  42   9.303  -4.489   4.019
    7    HD2  LYS  42           HD2      LYS  42  10.124  -4.800   6.320
    8    HD3  LYS  42           HD3      LYS  42  11.790  -4.797   5.725
    9    HE2  LYS  42           HE2      LYS  42  11.562  -2.505   5.001
   10    HE3  LYS  42           HE3      LYS  42   9.857  -2.501   5.446
   11    HZ1  LYS  42           HZ1      LYS  42  12.126  -2.839   7.338
   12    HZ2  LYS  42           HZ2      LYS  42  11.237  -1.410   7.111
   13    HZ3  LYS  42           HZ3      LYS  42  10.484  -2.785   7.749

  No H/Q in entry =          13
  In of MODEL    3
    1    H    ASN  43           H        ASN  43  10.185  -7.692   0.546
    2    HA   ASN  43           HA       ASN  43  10.962  -9.587  -0.426
    3    HB2  ASN  43           HB2      ASN  43  11.849 -10.237   2.397
    4    HB3  ASN  43           HB3      ASN  43  12.288 -11.202   0.988
    5   HD21  ASN  43          HD21      ASN  43  13.781  -9.407   2.955
    6   HD22  ASN  43          HD22      ASN  43  14.730  -8.369   1.945

  No H/Q in entry =           6
  In of MODEL    3
    1    H    GLY  44           H        GLY  44   8.739  -9.699   2.131
    2    HA2  GLY  44           HA2      GLY  44   7.799 -12.379   1.460
    3    HA3  GLY  44           HA3      GLY  44   6.712 -11.021   1.124

  No H/Q in entry =           3
  In of MODEL    3
    1    H    GLU  45           H        GLU  45   8.274  -9.901   3.708
    2    HA   GLU  45           HA       GLU  45   6.577 -11.324   5.625
    3    HB2  GLU  45           HB2      GLU  45   9.251 -10.020   6.052
    4    HB3  GLU  45           HB3      GLU  45   8.326 -10.888   7.279
    5    HG2  GLU  45           HG2      GLU  45   8.437 -12.879   5.693
    6    HG3  GLU  45           HG3      GLU  45   9.666 -11.967   4.822

  No H/Q in entry =           6
  In of MODEL    3
    1    H    ARG  46           H        ARG  46   5.611 -10.145   7.285
    2    HA   ARG  46           HA       ARG  46   4.466  -7.721   6.424
    3    HB2  ARG  46           HB2      ARG  46   3.289  -9.398   7.772
    4    HB3  ARG  46           HB3      ARG  46   4.383  -9.102   9.108
    5    HG2  ARG  46           HG2      ARG  46   3.448  -7.036   9.555
    6    HG3  ARG  46           HG3      ARG  46   2.662  -6.952   7.962
    7    HD2  ARG  46           HD2      ARG  46   1.832  -8.524  10.372
    8    HD3  ARG  46           HD3      ARG  46   0.848  -7.629   9.216
    9    HE   ARG  46           HE       ARG  46   2.125 -10.016   8.201
   10   HH11  ARG  46          HH11      ARG  46  -0.764  -8.534   9.500
   11   HH12  ARG  46          HH12      ARG  46  -1.827  -9.781   8.918
   12   HH21  ARG  46          HH21      ARG  46   0.732 -11.673   7.431
   13   HH22  ARG  46          HH22      ARG  46  -0.977 -11.555   7.736

  No H/Q in entry =          13
  In of MODEL    3
    1    H    ILE  47           H        ILE  47   4.830  -5.643   6.920
    2    HA   ILE  47           HA       ILE  47   7.022  -4.946   8.735
    3    HB   ILE  47           HB       ILE  47   5.399  -3.174   6.890
    4   HG12  ILE  47          HG12      ILE  47   8.232  -4.155   6.568
    5   HG13  ILE  47          HG13      ILE  47   6.846  -4.851   5.731
    6   HG21  ILE  47          HG21      ILE  47   7.904  -2.594   8.469
    7   HG22  ILE  47          HG22      ILE  47   7.158  -1.505   7.300
    8   HG23  ILE  47          HG23      ILE  47   6.297  -1.937   8.778
    9   HD11  ILE  47          HD11      ILE  47   6.435  -2.698   4.649
   10   HD12  ILE  47          HD12      ILE  47   7.835  -2.019   5.478
   11   HD13  ILE  47          HD13      ILE  47   8.050  -3.313   4.297

  No H/Q in entry =          11
  In of MODEL    3
    1    H    GLU  48           H        GLU  48   6.689  -3.756  10.571
    2    HA   GLU  48           HA       GLU  48   3.917  -3.757  11.496
    3    HB2  GLU  48           HB2      GLU  48   5.243  -3.392  13.774
    4    HB3  GLU  48           HB3      GLU  48   4.966  -4.971  13.099
    5    HG2  GLU  48           HG2      GLU  48   7.128  -5.191  13.480
    6    HG3  GLU  48           HG3      GLU  48   7.299  -4.316  11.975

  No H/Q in entry =           6
  In of MODEL    3
    1    H    LYS  49           H        LYS  49   6.731  -1.626  11.342
    2    HA   LYS  49           HA       LYS  49   5.570   0.570  12.584
    3    HB2  LYS  49           HB2      LYS  49   7.771   0.509  10.538
    4    HB3  LYS  49           HB3      LYS  49   7.474   1.782  11.730
    5    HG2  LYS  49           HG2      LYS  49   7.854   0.204  13.528
    6    HG3  LYS  49           HG3      LYS  49   8.084  -1.080  12.372
    7    HD2  LYS  49           HD2      LYS  49   9.843   1.358  12.424
    8    HD3  LYS  49           HD3      LYS  49  10.181  -0.094  13.368
    9    HE2  LYS  49           HE2      LYS  49  10.156  -1.432  11.305
   10    HE3  LYS  49           HE3      LYS  49   9.883   0.044  10.371
   11    HZ1  LYS  49           HZ1      LYS  49  11.999   0.910  11.256
   12    HZ2  LYS  49           HZ2      LYS  49  12.275  -0.578  12.027
   13    HZ3  LYS  49           HZ3      LYS  49  12.210  -0.500  10.335

  No H/Q in entry =          13
  In of MODEL    3
    1    H    VAL  50           H        VAL  50   4.503  -0.723   9.762
    2    HA   VAL  50           HA       VAL  50   4.010   1.494   8.128
    3    HB   VAL  50           HB       VAL  50   2.346  -0.992   8.526
    4   HG11  VAL  50          HG11      VAL  50   1.059   0.926   7.553
    5   HG12  VAL  50          HG12      VAL  50   2.244   0.982   6.242
    6   HG13  VAL  50          HG13      VAL  50   1.238  -0.450   6.453
    7   HG21  VAL  50          HG21      VAL  50   4.431  -0.199   6.526
    8   HG22  VAL  50          HG22      VAL  50   4.577  -1.439   7.769
    9   HG23  VAL  50          HG23      VAL  50   3.457  -1.659   6.427

  No H/Q in entry =           9
  In of MODEL    3
    1    H    GLU  51           H        GLU  51   2.393   2.955   8.012
    2    HA   GLU  51           HA       GLU  51   0.443   2.973  10.198
    3    HB2  GLU  51           HB2      GLU  51   1.133   5.010  10.996
    4    HB3  GLU  51           HB3      GLU  51   2.650   4.456  10.316
    5    HG2  GLU  51           HG2      GLU  51   2.464   5.727   8.435
    6    HG3  GLU  51           HG3      GLU  51   0.798   6.171   8.796

  No H/Q in entry =           6
  In of MODEL    3
    1    H    HIS  52           H        HIS  52  -1.426   4.004   9.791
    2    HA   HIS  52           HA       HIS  52  -1.709   5.038   7.080
    3    HB2  HIS  52           HB2      HIS  52  -4.165   4.603   7.272
    4    HB3  HIS  52           HB3      HIS  52  -3.188   3.141   7.345
    5    HD2  HIS  52           HD2      HIS  52  -2.801   2.297  10.182
    6    HE1  HIS  52           HE1      HIS  52  -6.625   3.829  11.141
    7    HE2  HIS  52           HE2      HIS  52  -4.858   2.117  11.749

  No H/Q in entry =           7
  In of MODEL    3
    1    H    SER  53           H        SER  53  -2.384   7.059   6.756
    2    HA   SER  53           HA       SER  53  -2.579   8.882   8.962
    3    HB2  SER  53           HB2      SER  53  -3.235  10.474   6.981
    4    HB3  SER  53           HB3      SER  53  -1.602   9.795   6.988
    5    HG   SER  53           HG       SER  53  -3.849   8.851   5.524

  No H/Q in entry =           5
  In of MODEL    3
    1    H    ASP  54           H        ASP  54  -4.588  10.631   8.392
    2    HA   ASP  54           HA       ASP  54  -6.889   9.455   9.431
    3    HB2  ASP  54           HB2      ASP  54  -6.511  11.895   9.431
    4    HB3  ASP  54           HB3      ASP  54  -6.736  11.926   7.682

  No H/Q in entry =           4
  In of MODEL    3
    1    H    LEU  55           H        LEU  55  -8.636   8.505   8.590
    2    HA   LEU  55           HA       LEU  55  -8.485   6.833   6.481
    3    HB2  LEU  55           HB2      LEU  55 -10.324   7.120   8.297
    4    HB3  LEU  55           HB3      LEU  55 -11.130   8.108   7.102
    5    HG   LEU  55           HG       LEU  55 -11.954   5.765   7.218
    6   HD11  LEU  55          HD11      LEU  55 -12.238   7.080   5.179
    7   HD12  LEU  55          HD12      LEU  55 -10.689   6.484   4.584
    8   HD13  LEU  55          HD13      LEU  55 -12.028   5.363   4.834
    9   HD21  LEU  55          HD21      LEU  55  -9.209   5.109   6.171
   10   HD22  LEU  55          HD22      LEU  55  -9.887   4.635   7.729
   11   HD23  LEU  55          HD23      LEU  55 -10.570   3.988   6.237

  No H/Q in entry =          11
  In of MODEL    3
    1    H    SER  56           H        SER  56 -10.775   9.511   6.095
    2    HA   SER  56           HA       SER  56  -9.674  10.784   3.907
    3    HB2  SER  56           HB2      SER  56  -9.832   8.545   2.799
    4    HB3  SER  56           HB3      SER  56 -11.580   8.599   3.022
    5    HG   SER  56           HG       SER  56 -11.687  10.348   1.638

  No H/Q in entry =           5
  In of MODEL    3
    1    H    PHE  57           H        PHE  57 -11.184  12.141   2.780
    2    HA   PHE  57           HA       PHE  57 -13.857  12.304   3.996
    3    HB2  PHE  57           HB2      PHE  57 -13.840  14.688   3.187
    4    HB3  PHE  57           HB3      PHE  57 -12.650  14.350   4.438
    5    HD1  PHE  57           HD1      PHE  57 -10.261  14.191   3.857
    6    HD2  PHE  57           HD2      PHE  57 -13.189  15.365   1.002
    7    HE1  PHE  57           HE1      PHE  57  -8.487  15.114   2.427
    8    HE2  PHE  57           HE2      PHE  57 -11.418  16.284  -0.438
    9    HZ   PHE  57           HZ       PHE  57  -9.064  16.159   0.274

  No H/Q in entry =           9
  In of MODEL    3
    1    H    SER  58           H        SER  58 -15.614  12.582   2.549
    2    HA   SER  58           HA       SER  58 -15.485  11.098   0.193
    3    HB2  SER  58           HB2      SER  58 -17.523  13.205   0.951
    4    HB3  SER  58           HB3      SER  58 -17.748  11.926  -0.245
    5    HG   SER  58           HG       SER  58 -17.093  11.375   2.465

  No H/Q in entry =           5
  In of MODEL    3
    1    H    LYS  59           H        LYS  59 -15.234  11.619  -1.959
    2    HA   LYS  59           HA       LYS  59 -14.368  14.366  -2.536
    3    HB2  LYS  59           HB2      LYS  59 -12.385  12.956  -2.038
    4    HB3  LYS  59           HB3      LYS  59 -12.863  11.859  -3.323
    5    HG2  LYS  59           HG2      LYS  59 -11.420  13.052  -4.547
    6    HG3  LYS  59           HG3      LYS  59 -12.755  14.199  -4.678
    7    HD2  LYS  59           HD2      LYS  59 -10.733  14.323  -2.454
    8    HD3  LYS  59           HD3      LYS  59 -10.482  15.132  -3.998
    9    HE2  LYS  59           HE2      LYS  59 -12.912  15.581  -2.279
   10    HE3  LYS  59           HE3      LYS  59 -11.445  16.549  -2.147
   11    HZ1  LYS  59           HZ1      LYS  59 -11.702  17.187  -4.466
   12    HZ2  LYS  59           HZ2      LYS  59 -13.123  16.268  -4.585
   13    HZ3  LYS  59           HZ3      LYS  59 -13.072  17.618  -3.563

  No H/Q in entry =          13
  In of MODEL    3
    1    H    ASP  60           H        ASP  60 -14.122  11.462  -4.519
    2    HA   ASP  60           HA       ASP  60 -16.076  12.650  -6.382
    3    HB2  ASP  60           HB2      ASP  60 -13.980  10.535  -6.945
    4    HB3  ASP  60           HB3      ASP  60 -15.051  11.272  -8.129

  No H/Q in entry =           4
  In of MODEL    3
    1    H    TRP  61           H        TRP  61 -14.890   9.411  -5.623
    2    HA   TRP  61           HA       TRP  61 -17.572   8.504  -4.990
    3    HB2  TRP  61           HB2      TRP  61 -16.030   7.676  -7.393
    4    HB3  TRP  61           HB3      TRP  61 -16.862   6.405  -6.504
    5    HD1  TRP  61           HD1      TRP  61 -19.587   6.673  -6.307
    6    HE1  TRP  61           HE1      TRP  61 -21.261   7.723  -7.953
    7    HE3  TRP  61           HE3      TRP  61 -16.335   9.464  -9.091
    8    HZ2  TRP  61           HZ2      TRP  61 -21.213   9.500 -10.139
    9    HZ3  TRP  61           HZ3      TRP  61 -17.215  10.811 -10.946
   10    HH2  TRP  61           HH2      TRP  61 -19.636  10.827 -11.465

  No H/Q in entry =          10
  In of MODEL    3
    1    H    SER  62           H        SER  62 -17.601   6.754  -3.639
    2    HA   SER  62           HA       SER  62 -16.903   5.229  -2.126
    3    HB2  SER  62           HB2      SER  62 -14.367   5.174  -3.797
    4    HB3  SER  62           HB3      SER  62 -14.826   3.967  -2.590
    5    HG   SER  62           HG       SER  62 -15.547   4.164  -5.180

  No H/Q in entry =           5
  In of MODEL    3
    1    H    PHE  63           H        PHE  63 -14.679   4.719  -0.771
    2    HA   PHE  63           HA       PHE  63 -13.700   7.319   0.199
    3    HB2  PHE  63           HB2      PHE  63 -14.098   4.831   1.888
    4    HB3  PHE  63           HB3      PHE  63 -13.668   6.437   2.454
    5    HD1  PHE  63           HD1      PHE  63 -15.354   8.081   2.908
    6    HD2  PHE  63           HD2      PHE  63 -16.405   4.381   1.062
    7    HE1  PHE  63           HE1      PHE  63 -17.746   8.550   3.328
    8    HE2  PHE  63           HE2      PHE  63 -18.790   4.852   1.476
    9    HZ   PHE  63           HZ       PHE  63 -19.452   6.935   2.603

  No H/Q in entry =           9
  In of MODEL    3
    1    H    TYR  64           H        TYR  64 -11.535   7.343   0.981
    2    HA   TYR  64           HA       TYR  64  -9.899   5.345  -0.432
    3    HB2  TYR  64           HB2      TYR  64  -9.146   8.216   0.203
    4    HB3  TYR  64           HB3      TYR  64  -8.334   7.121  -0.917
    5    HD1  TYR  64           HD1      TYR  64  -9.467   6.513  -3.078
    6    HD2  TYR  64           HD2      TYR  64 -11.017   9.505  -0.477
    7    HE1  TYR  64           HE1      TYR  64 -10.880   7.367  -4.906
    8    HE2  TYR  64           HE2      TYR  64 -12.429  10.365  -2.296
    9    HH   TYR  64           HH       TYR  64 -13.044   8.642  -5.093

  No H/Q in entry =           9
  In of MODEL    3
    1    H    LEU  65           H        LEU  65  -7.992   4.572   0.589
    2    HA   LEU  65           HA       LEU  65  -7.434   5.514   3.289
    3    HB2  LEU  65           HB2      LEU  65  -8.918   3.768   3.776
    4    HB3  LEU  65           HB3      LEU  65  -8.256   2.731   2.529
    5    HG   LEU  65           HG       LEU  65  -6.423   3.405   4.763
    6   HD11  LEU  65          HD11      LEU  65  -8.777   3.057   5.720
    7   HD12  LEU  65          HD12      LEU  65  -8.605   1.388   5.178
    8   HD13  LEU  65          HD13      LEU  65  -7.479   2.054   6.358
    9   HD21  LEU  65          HD21      LEU  65  -5.812   1.887   2.936
   10   HD22  LEU  65          HD22      LEU  65  -5.860   1.052   4.489
   11   HD23  LEU  65          HD23      LEU  65  -7.185   0.857   3.341

  No H/Q in entry =          11
  In of MODEL    3
    1    H    LEU  66           H        LEU  66  -5.343   5.580   3.767
    2    HA   LEU  66           HA       LEU  66  -3.473   4.612   1.703
    3    HB2  LEU  66           HB2      LEU  66  -4.021   7.173   2.214
    4    HB3  LEU  66           HB3      LEU  66  -2.823   6.928   3.450
    5    HG   LEU  66           HG       LEU  66  -2.368   6.520   0.507
    6   HD11  LEU  66          HD11      LEU  66  -1.630   8.780   2.356
    7   HD12  LEU  66          HD12      LEU  66  -0.940   8.563   0.750
    8   HD13  LEU  66          HD13      LEU  66  -2.670   8.851   0.938
    9   HD21  LEU  66          HD21      LEU  66  -0.448   6.406   2.821
   10   HD22  LEU  66          HD22      LEU  66  -0.920   5.074   1.772
   11   HD23  LEU  66          HD23      LEU  66   0.022   6.417   1.122

  No H/Q in entry =          11
  In of MODEL    3
    1    H    TYR  67           H        TYR  67  -1.835   3.357   2.351
    2    HA   TYR  67           HA       TYR  67  -1.069   3.323   5.197
    3    HB2  TYR  67           HB2      TYR  67  -1.720   1.065   3.389
    4    HB3  TYR  67           HB3      TYR  67  -0.351   0.858   4.469
    5    HD1  TYR  67           HD1      TYR  67  -0.708   1.004   6.946
    6    HD2  TYR  67           HD2      TYR  67  -3.955   0.893   4.191
    7    HE1  TYR  67           HE1      TYR  67  -2.214   0.279   8.753
    8    HE2  TYR  67           HE2      TYR  67  -5.444   0.149   5.980
    9    HH   TYR  67           HH       TYR  67  -5.232  -1.048   8.216

  No H/Q in entry =           9
  In of MODEL    3
    1    H    TYR  68           H        TYR  68   0.955   3.907   5.531
    2    HA   TYR  68           HA       TYR  68   2.890   3.343   3.384
    3    HB2  TYR  68           HB2      TYR  68   3.803   5.633   3.477
    4    HB3  TYR  68           HB3      TYR  68   2.116   5.630   2.947
    5    HD1  TYR  68           HD1      TYR  68   4.278   6.183   5.918
    6    HD2  TYR  68           HD2      TYR  68   0.544   6.945   4.045
    7    HE1  TYR  68           HE1      TYR  68   3.733   7.802   7.683
    8    HE2  TYR  68           HE2      TYR  68  -0.008   8.592   5.784
    9    HH   TYR  68           HH       TYR  68   2.346   9.679   8.085

  No H/Q in entry =           9
  In of MODEL    3
    1    H    THR  69           H        THR  69   5.157   3.850   4.077
    2    HA   THR  69           HA       THR  69   5.615   4.004   6.934
    3    HB   THR  69           HB       THR  69   5.290   1.573   6.592
    4    HG1  THR  69           HG1      THR  69   7.129   2.677   7.944
    5   HG21  THR  69          HG21      THR  69   7.632   1.833   4.706
    6   HG22  THR  69          HG22      THR  69   7.022   0.302   5.334
    7   HG23  THR  69          HG23      THR  69   5.996   1.303   4.305

  No H/Q in entry =           7
  In of MODEL    3
    1    H    GLU  70           H        GLU  70   7.639   4.778   7.410
    2    HA   GLU  70           HA       GLU  70   9.198   5.826   5.222
    3    HB2  GLU  70           HB2      GLU  70   8.885   7.077   7.369
    4    HB3  GLU  70           HB3      GLU  70   9.777   5.817   8.204
    5    HG2  GLU  70           HG2      GLU  70  11.014   7.361   5.949
    6    HG3  GLU  70           HG3      GLU  70  10.991   7.989   7.595

  No H/Q in entry =           6
  In of MODEL    3
    1    H    PHE  71           H        PHE  71  10.974   4.926   4.365
    2    HA   PHE  71           HA       PHE  71  12.141   2.600   5.601
    3    HB2  PHE  71           HB2      PHE  71  11.734   1.079   3.756
    4    HB3  PHE  71           HB3      PHE  71  10.191   1.679   4.347
    5    HD1  PHE  71           HD1      PHE  71  11.019   0.409   1.620
    6    HD2  PHE  71           HD2      PHE  71  10.365   4.391   2.941
    7    HE1  PHE  71           HE1      PHE  71  10.428   1.058  -0.681
    8    HE2  PHE  71           HE2      PHE  71   9.773   5.058   0.637
    9    HZ   PHE  71           HZ       PHE  71   9.818   3.391  -1.184

  No H/Q in entry =           9
  In of MODEL    3
    1    H    THR  72           H        THR  72  14.114   1.955   4.545
    2    HA   THR  72           HA       THR  72  15.233   4.073   2.838
    3    HB   THR  72           HB       THR  72  16.753   2.171   4.639
    4    HG1  THR  72           HG1      THR  72  15.220   4.158   5.354
    5   HG21  THR  72          HG21      THR  72  18.071   3.107   2.780
    6   HG22  THR  72          HG22      THR  72  17.602   4.737   3.272
    7   HG23  THR  72          HG23      THR  72  18.603   3.747   4.335

  No H/Q in entry =           7
  In of MODEL    3
    1    HA   PRO  73           HA       PRO  73  14.770   0.382   0.023
    2    HB2  PRO  73           HB2      PRO  73  15.475   2.074  -2.136
    3    HB3  PRO  73           HB3      PRO  73  13.845   1.552  -1.695
    4    HG2  PRO  73           HG2      PRO  73  15.247   4.102  -1.103
    5    HG3  PRO  73           HG3      PRO  73  13.517   3.809  -1.355
    6    HD2  PRO  73           HD2      PRO  73  14.527   4.265   1.103
    7    HD3  PRO  73           HD3      PRO  73  13.183   3.126   0.844

  No H/Q in entry =           7
  In of MODEL    3
    1    H    THR  74           H        THR  74  16.292  -0.890  -0.742
    2    HA   THR  74           HA       THR  74  19.040   0.074  -0.914
    3    HB   THR  74           HB       THR  74  19.855  -1.887   0.302
    4    HG1  THR  74           HG1      THR  74  17.529  -2.679   1.444
    5   HG21  THR  74          HG21      THR  74  17.749  -0.396   1.865
    6   HG22  THR  74          HG22      THR  74  19.051  -1.355   2.566
    7   HG23  THR  74          HG23      THR  74  19.427   0.099   1.641

  No H/Q in entry =           7
  In of MODEL    3
    1    H    GLU  75           H        GLU  75  20.436  -1.566  -2.010
    2    HA   GLU  75           HA       GLU  75  19.318  -2.613  -4.362
    3    HB2  GLU  75           HB2      GLU  75  21.811  -2.082  -3.571
    4    HB3  GLU  75           HB3      GLU  75  21.805  -3.802  -3.218
    5    HG2  GLU  75           HG2      GLU  75  21.233  -2.554  -5.890
    6    HG3  GLU  75           HG3      GLU  75  22.746  -3.305  -5.406

  No H/Q in entry =           6
  In of MODEL    3
    1    H    LYS  76           H        LYS  76  20.210  -4.155  -1.303
    2    HA   LYS  76           HA       LYS  76  19.842  -6.792  -2.244
    3    HB2  LYS  76           HB2      LYS  76  20.223  -5.667   0.519
    4    HB3  LYS  76           HB3      LYS  76  20.191  -7.385   0.158
    5    HG2  LYS  76           HG2      LYS  76  22.336  -7.357  -0.420
    6    HG3  LYS  76           HG3      LYS  76  22.068  -6.037  -1.558
    7    HD2  LYS  76           HD2      LYS  76  23.706  -5.410   0.126
    8    HD3  LYS  76           HD3      LYS  76  22.250  -4.423   0.265
    9    HE2  LYS  76           HE2      LYS  76  22.965  -5.067   2.480
   10    HE3  LYS  76           HE3      LYS  76  21.469  -5.916   2.094
   11    HZ1  LYS  76           HZ1      LYS  76  24.200  -7.077   1.918
   12    HZ2  LYS  76           HZ2      LYS  76  23.084  -7.368   3.158
   13    HZ3  LYS  76           HZ3      LYS  76  22.756  -7.896   1.582

  No H/Q in entry =          13
  In of MODEL    3
    1    H    ASP  77           H        ASP  77  17.734  -4.597  -0.371
    2    HA   ASP  77           HA       ASP  77  16.064  -6.937   0.277
    3    HB2  ASP  77           HB2      ASP  77  16.861  -4.805   1.855
    4    HB3  ASP  77           HB3      ASP  77  15.191  -4.417   1.440

  No H/Q in entry =           4
  In of MODEL    3
    1    H    GLU  78           H        GLU  78  13.565  -5.905   0.609
    2    HA   GLU  78           HA       GLU  78  12.730  -4.472  -1.746
    3    HB2  GLU  78           HB2      GLU  78  13.271  -6.766  -2.624
    4    HB3  GLU  78           HB3      GLU  78  12.010  -7.411  -1.586
    5    HG2  GLU  78           HG2      GLU  78  11.014  -7.209  -3.695
    6    HG3  GLU  78           HG3      GLU  78  10.435  -5.791  -2.815

  No H/Q in entry =           6
  In of MODEL    3
    1    H    TYR  79           H        TYR  79  10.466  -4.024  -1.713
    2    HA   TYR  79           HA       TYR  79   9.092  -4.777   0.753
    3    HB2  TYR  79           HB2      TYR  79   8.825  -2.049  -0.517
    4    HB3  TYR  79           HB3      TYR  79   8.311  -2.560   1.091
    5    HD1  TYR  79           HD1      TYR  79  11.360  -1.924  -0.967
    6    HD2  TYR  79           HD2      TYR  79   9.701  -2.300   2.930
    7    HE1  TYR  79           HE1      TYR  79  13.474  -1.128   0.002
    8    HE2  TYR  79           HE2      TYR  79  11.808  -1.504   3.908
    9    HH   TYR  79           HH       TYR  79  14.283  -0.077   2.071

  No H/Q in entry =           9
  In of MODEL    3
    1    H    ALA  80           H        ALA  80   6.781  -4.772   0.657
    2    HA   ALA  80           HA       ALA  80   5.623  -4.789  -2.044
    3    HB1  ALA  80           HB1      ALA  80   4.833  -6.969  -2.005
    4    HB2  ALA  80           HB2      ALA  80   6.475  -7.116  -1.382
    5    HB3  ALA  80           HB3      ALA  80   5.103  -7.144  -0.273

  No H/Q in entry =           5
  In of MODEL    3
    1    H    CYS  81           H        CYS  81   3.216  -4.973  -2.022
    2    HA   CYS  81           HA       CYS  81   2.075  -3.944   0.493
    3    HB2  CYS  81           HB2      CYS  81   1.630  -3.235  -2.362
    4    HB3  CYS  81           HB3      CYS  81   0.212  -3.265  -1.317

  No H/Q in entry =           4
  In of MODEL    3
    1    H    ARG  82           H        ARG  82   0.497  -5.116   1.415
    2    HA   ARG  82           HA       ARG  82  -0.767  -7.311  -0.120
    3    HB2  ARG  82           HB2      ARG  82   0.754  -7.959   1.826
    4    HB3  ARG  82           HB3      ARG  82  -0.408  -7.146   2.869
    5    HG2  ARG  82           HG2      ARG  82  -2.156  -8.712   1.927
    6    HG3  ARG  82           HG3      ARG  82  -0.812  -9.630   1.242
    7    HD2  ARG  82           HD2      ARG  82  -1.245  -9.005   4.165
    8    HD3  ARG  82           HD3      ARG  82  -1.472 -10.570   3.393
    9    HE   ARG  82           HE       ARG  82   1.103  -9.225   3.831
   10   HH11  ARG  82          HH11      ARG  82  -0.819 -12.096   3.256
   11   HH12  ARG  82          HH12      ARG  82   0.541 -13.185   3.292
   12   HH21  ARG  82          HH21      ARG  82   2.899 -10.654   3.905
   13   HH22  ARG  82          HH22      ARG  82   2.665 -12.361   3.660

  No H/Q in entry =          13
  In of MODEL    3
    1    H    VAL  83           H        VAL  83  -3.021  -7.354  -0.090
    2    HA   VAL  83           HA       VAL  83  -4.338  -5.733   1.975
    3    HB   VAL  83           HB       VAL  83  -5.846  -4.673   0.606
    4   HG11  VAL  83          HG11      VAL  83  -3.323  -4.843  -0.984
    5   HG12  VAL  83          HG12      VAL  83  -4.590  -3.639  -1.221
    6   HG13  VAL  83          HG13      VAL  83  -3.705  -3.705   0.306
    7   HG21  VAL  83          HG21      VAL  83  -5.170  -6.609  -1.597
    8   HG22  VAL  83          HG22      VAL  83  -6.655  -6.568  -0.646
    9   HG23  VAL  83          HG23      VAL  83  -6.275  -5.243  -1.746

  No H/Q in entry =           9
  In of MODEL    3
    1    H    ASN  84           H        ASN  84  -6.162  -6.528   2.785
    2    HA   ASN  84           HA       ASN  84  -7.010  -9.170   1.824
    3    HB2  ASN  84           HB2      ASN  84  -7.190  -8.116   4.665
    4    HB3  ASN  84           HB3      ASN  84  -7.531  -9.753   4.134
    5   HD21  ASN  84          HD21      ASN  84  -4.967  -7.379   4.517
    6   HD22  ASN  84          HD22      ASN  84  -3.683  -8.522   4.705

  No H/Q in entry =           6
  In of MODEL    3
    1    H    HIS  85           H        HIS  85  -9.015  -9.063   0.864
    2    HA   HIS  85           HA       HIS  85 -11.120  -7.825   2.444
    3    HB2  HIS  85           HB2      HIS  85 -10.259  -6.347   0.431
    4    HB3  HIS  85           HB3      HIS  85 -11.185  -7.491  -0.536
    5    HD2  HIS  85           HD2      HIS  85 -11.882  -4.966   2.425
    6    HE1  HIS  85           HE1      HIS  85 -15.375  -5.536   0.097
    7    HE2  HIS  85           HE2      HIS  85 -14.273  -4.106   1.870

  No H/Q in entry =           7
  In of MODEL    3
    1    H    VAL  86           H        VAL  86 -13.249  -8.680   1.777
    2    HA   VAL  86           HA       VAL  86 -13.098 -11.498   1.576
    3    HB   VAL  86           HB       VAL  86 -15.539 -11.489   1.557
    4   HG11  VAL  86          HG11      VAL  86 -14.357  -9.480   3.468
    5   HG12  VAL  86          HG12      VAL  86 -15.914 -10.285   3.668
    6   HG13  VAL  86          HG13      VAL  86 -14.424 -11.229   3.689
    7   HG21  VAL  86          HG21      VAL  86 -15.883  -9.581   0.053
    8   HG22  VAL  86          HG22      VAL  86 -16.817  -9.419   1.540
    9   HG23  VAL  86          HG23      VAL  86 -15.338  -8.486   1.323

  No H/Q in entry =           9
  In of MODEL    3
    1    H    THR  87           H        THR  87 -13.378  -9.001  -0.783
    2    HA   THR  87           HA       THR  87 -14.722 -10.436  -2.800
    3    HB   THR  87           HB       THR  87 -13.945  -8.609  -4.257
    4    HG1  THR  87           HG1      THR  87 -12.747  -7.109  -2.355
    5   HG21  THR  87          HG21      THR  87 -14.811  -7.676  -1.537
    6   HG22  THR  87          HG22      THR  87 -14.895  -6.732  -3.026
    7   HG23  THR  87          HG23      THR  87 -15.867  -8.202  -2.851

  No H/Q in entry =           7
  In of MODEL    3
    1    H    LEU  88           H        LEU  88 -11.330  -9.752  -2.180
    2    HA   LEU  88           HA       LEU  88 -10.341 -10.953  -4.530
    3    HB2  LEU  88           HB2      LEU  88  -8.977 -10.389  -1.897
    4    HB3  LEU  88           HB3      LEU  88  -8.136 -10.967  -3.322
    5    HG   LEU  88           HG       LEU  88  -9.544  -8.323  -2.985
    6   HD11  LEU  88          HD11      LEU  88  -6.656  -9.044  -3.504
    7   HD12  LEU  88          HD12      LEU  88  -7.312  -7.401  -3.443
    8   HD13  LEU  88          HD13      LEU  88  -7.325  -8.417  -1.988
    9   HD21  LEU  88          HD21      LEU  88  -8.326  -9.546  -5.456
   10   HD22  LEU  88          HD22      LEU  88 -10.025  -9.141  -5.204
   11   HD23  LEU  88          HD23      LEU  88  -8.815  -7.859  -5.303

  No H/Q in entry =          11
  In of MODEL    3
    1    H    SER  89           H        SER  89 -11.307 -12.195  -1.481
    2    HA   SER  89           HA       SER  89 -11.590 -14.238  -0.599
    3    HB2  SER  89           HB2      SER  89 -12.033 -16.110  -2.012
    4    HB3  SER  89           HB3      SER  89 -12.606 -14.686  -2.867
    5    HG   SER  89           HG       SER  89 -10.316 -14.805  -3.818

  No H/Q in entry =           5
  In of MODEL    3
    1    H    GLN  90           H        GLN  90  -8.721 -13.453  -2.198
    2    HA   GLN  90           HA       GLN  90  -7.139 -14.989  -0.320
    3    HB2  GLN  90           HB2      GLN  90  -6.328 -14.915  -3.225
    4    HB3  GLN  90           HB3      GLN  90  -5.727 -15.966  -1.954
    5    HG2  GLN  90           HG2      GLN  90  -7.657 -17.314  -2.015
    6    HG3  GLN  90           HG3      GLN  90  -8.533 -16.139  -3.004
    7   HE21  GLN  90          HE21      GLN  90  -8.994 -17.624  -4.583
    8   HE22  GLN  90          HE22      GLN  90  -7.797 -18.259  -5.658

  No H/Q in entry =           8
  In of MODEL    3
    1    HA   PRO  91           HA       PRO  91  -5.912 -10.652  -0.099
    2    HB2  PRO  91           HB2      PRO  91  -3.459 -11.969   1.018
    3    HB3  PRO  91           HB3      PRO  91  -4.350 -10.542   1.592
    4    HG2  PRO  91           HG2      PRO  91  -4.714 -12.839   2.817
    5    HG3  PRO  91           HG3      PRO  91  -6.119 -11.812   2.420
    6    HD2  PRO  91           HD2      PRO  91  -5.132 -14.317   1.056
    7    HD3  PRO  91           HD3      PRO  91  -6.816 -13.802   1.386

  No H/Q in entry =           7
  In of MODEL    3
    1    H    LYS  92           H        LYS  92  -4.397  -9.244  -1.011
    2    HA   LYS  92           HA       LYS  92  -3.200 -10.441  -3.412
    3    HB2  LYS  92           HB2      LYS  92  -5.161  -8.955  -3.799
    4    HB3  LYS  92           HB3      LYS  92  -4.255  -7.635  -3.071
    5    HG2  LYS  92           HG2      LYS  92  -4.077  -7.457  -5.445
    6    HG3  LYS  92           HG3      LYS  92  -2.509  -7.960  -4.793
    7    HD2  LYS  92           HD2      LYS  92  -2.892  -9.324  -6.679
    8    HD3  LYS  92           HD3      LYS  92  -3.212 -10.323  -5.255
    9    HE2  LYS  92           HE2      LYS  92  -5.594 -10.006  -5.526
   10    HE3  LYS  92           HE3      LYS  92  -5.326  -8.902  -6.873
   11    HZ1  LYS  92           HZ1      LYS  92  -4.318 -10.746  -8.104
   12    HZ2  LYS  92           HZ2      LYS  92  -4.669 -11.800  -6.820
   13    HZ3  LYS  92           HZ3      LYS  92  -5.929 -11.066  -7.686

  No H/Q in entry =          13
  In of MODEL    3
    1    H    ILE  93           H        ILE  93  -1.065 -10.209  -3.652
    2    HA   ILE  93           HA       ILE  93   0.254  -8.045  -2.150
    3    HB   ILE  93           HB       ILE  93   1.422 -10.669  -3.059
    4   HG12  ILE  93          HG12      ILE  93   1.955 -10.817  -0.539
    5   HG13  ILE  93          HG13      ILE  93   0.773  -9.536  -0.342
    6   HG21  ILE  93          HG21      ILE  93   3.021  -8.846  -3.378
    7   HG22  ILE  93          HG22      ILE  93   2.820  -8.387  -1.685
    8   HG23  ILE  93          HG23      ILE  93   3.531  -9.950  -2.095
    9   HD11  ILE  93          HD11      ILE  93   0.253 -12.251  -1.522
   10   HD12  ILE  93          HD12      ILE  93  -0.180 -11.719   0.103
   11   HD13  ILE  93          HD13      ILE  93  -0.940 -10.972  -1.302

  No H/Q in entry =          11
  In of MODEL    3
    1    H    VAL  94           H        VAL  94   1.170  -6.514  -3.257
    2    HA   VAL  94           HA       VAL  94   2.113  -7.055  -5.987
    3    HB   VAL  94           HB       VAL  94   0.831  -4.489  -5.007
    4   HG11  VAL  94          HG11      VAL  94   2.001  -5.170  -7.704
    5   HG12  VAL  94          HG12      VAL  94   1.113  -3.696  -7.314
    6   HG13  VAL  94          HG13      VAL  94   2.663  -4.023  -6.539
    7   HG21  VAL  94          HG21      VAL  94  -0.094  -6.497  -7.060
    8   HG22  VAL  94          HG22      VAL  94  -0.809  -6.225  -5.471
    9   HG23  VAL  94          HG23      VAL  94  -0.882  -4.961  -6.698

  No H/Q in entry =           9
  In of MODEL    3
    1    H    LYS  95           H        LYS  95   4.188  -6.538  -6.291
    2    HA   LYS  95           HA       LYS  95   5.702  -5.756  -3.955
    3    HB2  LYS  95           HB2      LYS  95   7.444  -6.787  -4.955
    4    HB3  LYS  95           HB3      LYS  95   6.253  -7.390  -6.094
    5    HG2  LYS  95           HG2      LYS  95   6.767  -5.671  -7.670
    6    HG3  LYS  95           HG3      LYS  95   7.778  -4.828  -6.499
    7    HD2  LYS  95           HD2      LYS  95   8.780  -7.446  -6.664
    8    HD3  LYS  95           HD3      LYS  95   8.476  -6.932  -8.324
    9    HE2  LYS  95           HE2      LYS  95  10.236  -5.604  -6.265
   10    HE3  LYS  95           HE3      LYS  95  10.715  -6.326  -7.795
   11    HZ1  LYS  95           HZ1      LYS  95   9.011  -3.910  -7.531
   12    HZ2  LYS  95           HZ2      LYS  95  10.669  -3.893  -7.854
   13    HZ3  LYS  95           HZ3      LYS  95   9.597  -4.570  -8.980

  No H/Q in entry =          13
  In of MODEL    3
    1    H    TRP  96           H        TRP  96   7.041  -3.896  -3.815
    2    HA   TRP  96           HA       TRP  96   5.953  -1.610  -5.156
    3    HB2  TRP  96           HB2      TRP  96   6.714  -1.316  -2.877
    4    HB3  TRP  96           HB3      TRP  96   8.345  -1.866  -3.288
    5    HD1  TRP  96           HD1      TRP  96   5.933   1.007  -4.274
    6    HE1  TRP  96           HE1      TRP  96   7.341   3.087  -4.790
    7    HE3  TRP  96           HE3      TRP  96  10.585  -0.990  -3.603
    8    HZ2  TRP  96           HZ2      TRP  96  10.066   3.798  -4.892
    9    HZ3  TRP  96           HZ3      TRP  96  12.548   0.452  -3.923
   10    HH2  TRP  96           HH2      TRP  96  12.290   2.817  -4.557

  No H/Q in entry =          10
  In of MODEL    3
    1    H    ASP  97           H        ASP  97   6.484  -0.946  -7.071
    2    HA   ASP  97           HA       ASP  97   9.095  -1.693  -8.191
    3    HB2  ASP  97           HB2      ASP  97   8.061  -1.646 -10.360
    4    HB3  ASP  97           HB3      ASP  97   6.949  -2.484  -9.295

  No H/Q in entry =           4
  In of MODEL    3
    1    H    ARG  98           H        ARG  98   9.569   0.016 -10.010
    2    HA   ARG  98           HA       ARG  98   9.234   2.722  -9.262
    3    HB2  ARG  98           HB2      ARG  98  11.541   3.206  -8.876
    4    HB3  ARG  98           HB3      ARG  98  11.096   1.909  -7.794
    5    HG2  ARG  98           HG2      ARG  98  12.861   0.816  -8.514
    6    HG3  ARG  98           HG3      ARG  98  12.038   0.630 -10.063
    7    HD2  ARG  98           HD2      ARG  98  14.294   1.583 -10.338
    8    HD3  ARG  98           HD3      ARG  98  13.035   2.703 -10.865
    9    HE   ARG  98           HE       ARG  98  14.243   2.931  -8.184
   10   HH11  ARG  98          HH11      ARG  98  13.490   4.327 -11.328
   11   HH12  ARG  98          HH12      ARG  98  13.978   5.928 -10.864
   12   HH21  ARG  98          HH21      ARG  98  14.877   5.058  -7.599
   13   HH22  ARG  98          HH22      ARG  98  14.779   6.339  -8.769

  No H/Q in entry =          13
  In of MODEL    3
    1    H    ASP  99           H        ASP  99  10.735   0.202 -11.179
    2    HA   ASP  99           HA       ASP  99   9.768   1.370 -13.615
    3    HB2  ASP  99           HB2      ASP  99  12.016   2.363 -13.506
    4    HB3  ASP  99           HB3      ASP  99  12.716   0.771 -13.233

  No H/Q in entry =           4
  In of MODEL    3
    1    H    MET 100           H        MET 100  10.476  -1.147 -11.564
    2    HA   MET 100           HA       MET 100  10.469  -3.180 -13.678
    3    HB2  MET 100           HB2      MET 100  12.035  -3.743 -11.204
    4    HB3  MET 100           HB3      MET 100  12.348  -4.228 -12.869
    5    HG2  MET 100           HG2      MET 100  13.175  -2.031 -13.399
    6    HG3  MET 100           HG3      MET 100  12.760  -1.460 -11.778
    7    HE1  MET 100           HE1      MET 100  13.932  -2.549  -9.549
    8    HE2  MET 100           HE2      MET 100  13.651  -4.184 -10.149
    9    HE3  MET 100           HE3      MET 100  15.266  -3.702  -9.628

  No H/Q in entry =           9
  In of MODEL    4
    1    HA   ILE   2           HA       ILE   2 -21.511  -9.170  -4.099
    2    HB   ILE   2           HB       ILE   2 -23.078  -8.319  -2.279
    3   HG12  ILE   2          HG12      ILE   2 -22.204 -10.889  -0.926
    4   HG13  ILE   2          HG13      ILE   2 -21.932  -9.258  -0.316
    5   HG21  ILE   2          HG21      ILE   2 -23.806  -9.723  -4.122
    6   HG22  ILE   2          HG22      ILE   2 -23.369 -11.169  -3.210
    7   HG23  ILE   2          HG23      ILE   2 -24.675 -10.128  -2.642
    8   HD11  ILE   2          HD11      ILE   2 -24.347  -8.946  -0.101
    9   HD12  ILE   2          HD12      ILE   2 -24.604 -10.591  -0.686
   10   HD13  ILE   2          HD13      ILE   2 -23.766 -10.320   0.843

  No H/Q in entry =          10
  In of MODEL    4
    1    H    GLN   3           H        GLN   3 -19.753  -7.890  -4.346
    2    HA   GLN   3           HA       GLN   3 -19.482  -5.586  -2.819
    3    HB2  GLN   3           HB2      GLN   3 -18.330  -7.508  -1.320
    4    HB3  GLN   3           HB3      GLN   3 -16.994  -7.210  -2.407
    5    HG2  GLN   3           HG2      GLN   3 -16.751  -5.925  -0.371
    6    HG3  GLN   3           HG3      GLN   3 -16.967  -4.863  -1.766
    7   HE21  GLN   3          HE21      GLN   3 -18.343  -6.020   1.197
    8   HE22  GLN   3          HE22      GLN   3 -19.659  -4.898   1.265

  No H/Q in entry =           8
  In of MODEL    4
    1    H    ARG   4           H        ARG   4 -17.030  -4.731  -3.329
    2    HA   ARG   4           HA       ARG   4 -16.490  -5.416  -6.145
    3    HB2  ARG   4           HB2      ARG   4 -17.455  -3.211  -6.145
    4    HB3  ARG   4           HB3      ARG   4 -16.403  -2.716  -4.815
    5    HG2  ARG   4           HG2      ARG   4 -14.647  -2.281  -6.185
    6    HG3  ARG   4           HG3      ARG   4 -14.959  -3.714  -7.148
    7    HD2  ARG   4           HD2      ARG   4 -16.401  -1.055  -7.509
    8    HD3  ARG   4           HD3      ARG   4 -15.216  -1.779  -8.591
    9    HE   ARG   4           HE       ARG   4 -17.048  -3.692  -8.542
   10   HH11  ARG   4          HH11      ARG   4 -17.382  -0.220  -8.936
   11   HH12  ARG   4          HH12      ARG   4 -18.882  -0.339  -9.809
   12   HH21  ARG   4          HH21      ARG   4 -19.031  -3.855  -9.648
   13   HH22  ARG   4          HH22      ARG   4 -19.841  -2.411 -10.190

  No H/Q in entry =          13
  In of MODEL    4
    1    H    THR   5           H        THR   5 -14.372  -5.701  -6.712
    2    HA   THR   5           HA       THR   5 -12.688  -6.421  -4.541
    3    HB   THR   5           HB       THR   5 -11.184  -7.344  -6.167
    4    HG1  THR   5           HG1      THR   5 -11.756  -5.313  -7.612
    5   HG21  THR   5          HG21      THR   5 -14.082  -7.691  -6.875
    6   HG22  THR   5          HG22      THR   5 -12.808  -8.582  -7.708
    7   HG23  THR   5          HG23      THR   5 -13.027  -8.774  -5.973

  No H/Q in entry =           7
  In of MODEL    4
    1    HA   PRO   6           HA       PRO   6 -10.531  -2.460  -4.420
    2    HB2  PRO   6           HB2      PRO   6  -8.836  -3.753  -2.416
    3    HB3  PRO   6           HB3      PRO   6  -9.901  -2.357  -2.238
    4    HG2  PRO   6           HG2      PRO   6 -10.429  -4.776  -1.106
    5    HG3  PRO   6           HG3      PRO   6 -11.702  -3.636  -1.607
    6    HD2  PRO   6           HD2      PRO   6 -10.706  -6.118  -2.976
    7    HD3  PRO   6           HD3      PRO   6 -12.357  -5.464  -2.859

  No H/Q in entry =           7
  In of MODEL    4
    1    H    LYS   7           H        LYS   7  -8.881  -1.910  -5.709
    2    HA   LYS   7           HA       LYS   7  -7.110  -4.059  -6.627
    3    HB2  LYS   7           HB2      LYS   7  -8.377  -2.884  -8.373
    4    HB3  LYS   7           HB3      LYS   7  -7.734  -1.343  -7.834
    5    HG2  LYS   7           HG2      LYS   7  -5.483  -2.066  -8.485
    6    HG3  LYS   7           HG3      LYS   7  -6.150  -3.599  -9.049
    7    HD2  LYS   7           HD2      LYS   7  -7.023  -0.913 -10.098
    8    HD3  LYS   7           HD3      LYS   7  -5.752  -1.884 -10.841
    9    HE2  LYS   7           HE2      LYS   7  -8.565  -2.857 -10.377
   10    HE3  LYS   7           HE3      LYS   7  -8.011  -2.136 -11.888
   11    HZ1  LYS   7           HZ1      LYS   7  -6.352  -3.906 -12.060
   12    HZ2  LYS   7           HZ2      LYS   7  -6.943  -4.618 -10.640
   13    HZ3  LYS   7           HZ3      LYS   7  -7.926  -4.529 -12.018

  No H/Q in entry =          13
  In of MODEL    4
    1    H    ILE   8           H        ILE   8  -4.834  -3.570  -6.920
    2    HA   ILE   8           HA       ILE   8  -3.903  -2.030  -4.607
    3    HB   ILE   8           HB       ILE   8  -2.106  -3.833  -6.171
    4   HG12  ILE   8          HG12      ILE   8  -4.100  -5.200  -5.865
    5   HG13  ILE   8          HG13      ILE   8  -2.823  -5.757  -4.794
    6   HG21  ILE   8          HG21      ILE   8  -2.356  -3.140  -3.247
    7   HG22  ILE   8          HG22      ILE   8  -1.137  -4.211  -3.939
    8   HG23  ILE   8          HG23      ILE   8  -1.164  -2.504  -4.382
    9   HD11  ILE   8          HD11      ILE   8  -3.885  -4.534  -2.947
   10   HD12  ILE   8          HD12      ILE   8  -5.194  -4.080  -4.037
   11   HD13  ILE   8          HD13      ILE   8  -4.921  -5.781  -3.646

  No H/Q in entry =          11
  In of MODEL    4
    1    H    GLN   9           H        GLN   9  -2.842  -0.200  -4.874
    2    HA   GLN   9           HA       GLN   9  -1.141   0.106  -7.238
    3    HB2  GLN   9           HB2      GLN   9  -2.226   2.706  -6.432
    4    HB3  GLN   9           HB3      GLN   9  -2.256   2.021  -8.058
    5    HG2  GLN   9           HG2      GLN   9  -4.252   0.839  -7.631
    6    HG3  GLN   9           HG3      GLN   9  -4.227   1.242  -5.921
    7   HE21  GLN   9          HE21      GLN   9  -3.379   3.536  -8.410
    8   HE22  GLN   9          HE22      GLN   9  -4.776   4.547  -8.226

  No H/Q in entry =           8
  In of MODEL    4
    1    H    VAL  10           H        VAL  10   0.861   0.488  -6.559
    2    HA   VAL  10           HA       VAL  10   1.323   1.838  -4.001
    3    HB   VAL  10           HB       VAL  10   1.503  -0.343  -3.180
    4   HG11  VAL  10          HG11      VAL  10   1.220  -1.494  -5.313
    5   HG12  VAL  10          HG12      VAL  10   2.915  -1.194  -5.700
    6   HG13  VAL  10          HG13      VAL  10   2.488  -2.224  -4.330
    7   HG21  VAL  10          HG21      VAL  10   4.271   0.394  -4.130
    8   HG22  VAL  10          HG22      VAL  10   3.526   0.790  -2.579
    9   HG23  VAL  10          HG23      VAL  10   3.931  -0.885  -2.962

  No H/Q in entry =           9
  In of MODEL    4
    1    H    TYR  11           H        TYR  11   2.977   3.191  -3.994
    2    HA   TYR  11           HA       TYR  11   5.174   3.004  -5.817
    3    HB2  TYR  11           HB2      TYR  11   4.765   5.120  -7.004
    4    HB3  TYR  11           HB3      TYR  11   3.492   3.956  -7.335
    5    HD1  TYR  11           HD1      TYR  11   1.213   4.431  -6.786
    6    HD2  TYR  11           HD2      TYR  11   4.310   7.051  -5.483
    7    HE1  TYR  11           HE1      TYR  11  -0.467   6.120  -6.181
    8    HE2  TYR  11           HE2      TYR  11   2.632   8.737  -4.871
    9    HH   TYR  11           HH       TYR  11  -0.816   8.055  -5.031

  No H/Q in entry =           9
  In of MODEL    4
    1    H    SER  12           H        SER  12   6.615   5.017  -5.539
    2    HA   SER  12           HA       SER  12   6.723   5.575  -2.685
    3    HB2  SER  12           HB2      SER  12   8.763   4.831  -3.916
    4    HB3  SER  12           HB3      SER  12   8.693   6.319  -4.859
    5    HG   SER  12           HG       SER  12   9.944   6.035  -2.643

  No H/Q in entry =           5
  In of MODEL    4
    1    H    ARG  13           H        ARG  13   6.549   7.580  -1.785
    2    HA   ARG  13           HA       ARG  13   4.925   9.458  -3.172
    3    HB2  ARG  13           HB2      ARG  13   5.138   9.030  -0.630
    4    HB3  ARG  13           HB3      ARG  13   6.552  10.055  -0.685
    5    HG2  ARG  13           HG2      ARG  13   3.764  10.943  -1.420
    6    HG3  ARG  13           HG3      ARG  13   4.515  11.189   0.140
    7    HD2  ARG  13           HD2      ARG  13   5.003  13.198  -0.778
    8    HD3  ARG  13           HD3      ARG  13   6.361  12.304  -1.435
    9    HE   ARG  13           HE       ARG  13   4.973  12.026  -3.485
   10   HH11  ARG  13          HH11      ARG  13   4.327  14.645  -1.260
   11   HH12  ARG  13          HH12      ARG  13   3.801  15.745  -2.501
   12   HH21  ARG  13          HH21      ARG  13   4.228  13.446  -5.124
   13   HH22  ARG  13          HH22      ARG  13   3.731  15.060  -4.700

  No H/Q in entry =          13
  In of MODEL    4
    1    H    HIS  14           H        HIS  14   8.340   9.582  -2.202
    2    HA   HIS  14           HA       HIS  14   8.724  11.722  -4.171
    3    HB2  HIS  14           HB2      HIS  14   9.813  11.366  -1.409
    4    HB3  HIS  14           HB3      HIS  14  10.831  12.175  -2.595
    5    HD2  HIS  14           HD2      HIS  14   7.728  13.524  -3.754
    6    HE1  HIS  14           HE1      HIS  14   8.465  15.769  -0.245
    7    HE2  HIS  14           HE2      HIS  14   7.332  15.764  -2.512

  No H/Q in entry =           7
  In of MODEL    4
    1    HA   PRO  15           HA       PRO  15  11.925   9.577  -6.395
    2    HB2  PRO  15           HB2      PRO  15  14.393  10.555  -5.439
    3    HB3  PRO  15           HB3      PRO  15  13.487  11.147  -6.845
    4    HG2  PRO  15           HG2      PRO  15  13.603  12.258  -4.054
    5    HG3  PRO  15           HG3      PRO  15  13.391  13.107  -5.622
    6    HD2  PRO  15           HD2      PRO  15  11.324  12.721  -3.926
    7    HD3  PRO  15           HD3      PRO  15  11.107  12.655  -5.700

  No H/Q in entry =           7
  In of MODEL    4
    1    H    ALA  16           H        ALA  16  12.630   7.582  -6.179
    2    HA   ALA  16           HA       ALA  16  13.095   6.533  -3.508
    3    HB1  ALA  16           HB1      ALA  16  11.519   5.380  -4.973
    4    HB2  ALA  16           HB2      ALA  16  12.808   5.106  -6.147
    5    HB3  ALA  16           HB3      ALA  16  12.886   4.343  -4.557

  No H/Q in entry =           5
  In of MODEL    4
    1    H    GLU  17           H        GLU  17  15.093   6.252  -2.760
    2    HA   GLU  17           HA       GLU  17  17.272   5.847  -4.662
    3    HB2  GLU  17           HB2      GLU  17  17.221   8.187  -3.918
    4    HB3  GLU  17           HB3      GLU  17  17.269   7.663  -2.239
    5    HG2  GLU  17           HG2      GLU  17  19.484   6.912  -2.436
    6    HG3  GLU  17           HG3      GLU  17  19.435   6.989  -4.173

  No H/Q in entry =           6
  In of MODEL    4
    1    H    ASN  18           H        ASN  18  18.609   4.227  -4.164
    2    HA   ASN  18           HA       ASN  18  18.059   2.573  -1.874
    3    HB2  ASN  18           HB2      ASN  18  18.554   1.240  -3.678
    4    HB3  ASN  18           HB3      ASN  18  19.743   2.360  -4.333
    5   HD21  ASN  18          HD21      ASN  18  21.213   0.740  -4.703
    6   HD22  ASN  18          HD22      ASN  18  22.083  -0.053  -3.428

  No H/Q in entry =           6
  In of MODEL    4
    1    H    GLY  19           H        GLY  19  19.110   2.466  -0.027
    2    HA2  GLY  19           HA2      GLY  19  21.756   3.616   0.328
    3    HA3  GLY  19           HA3      GLY  19  20.761   2.854   1.580

  No H/Q in entry =           3
  In of MODEL    4
    1    H    LYS  20           H        LYS  20  18.494   4.552   0.611
    2    HA   LYS  20           HA       LYS  20  19.186   7.039   1.995
    3    HB2  LYS  20           HB2      LYS  20  19.331   7.083  -0.629
    4    HB3  LYS  20           HB3      LYS  20  17.579   7.089  -0.538
    5    HG2  LYS  20           HG2      LYS  20  18.163   9.333  -0.724
    6    HG3  LYS  20           HG3      LYS  20  17.813   9.106   0.992
    7    HD2  LYS  20           HD2      LYS  20  20.292   8.759   1.318
    8    HD3  LYS  20           HD3      LYS  20  20.506   9.301  -0.342
    9    HE2  LYS  20           HE2      LYS  20  20.810  11.091   1.411
   10    HE3  LYS  20           HE3      LYS  20  19.621  11.467   0.160
   11    HZ1  LYS  20           HZ1      LYS  20  18.909  10.325   2.807
   12    HZ2  LYS  20           HZ2      LYS  20  18.910  11.989   2.476
   13    HZ3  LYS  20           HZ3      LYS  20  17.856  10.959   1.637

  No H/Q in entry =          13
  In of MODEL    4
    1    H    SER  21           H        SER  21  17.474   7.947   3.084
    2    HA   SER  21           HA       SER  21  15.267   6.252   3.654
    3    HB2  SER  21           HB2      SER  21  15.838   9.124   4.368
    4    HB3  SER  21           HB3      SER  21  14.478   8.196   5.000
    5    HG   SER  21           HG       SER  21  16.692   6.755   5.323

  No H/Q in entry =           5
  In of MODEL    4
    1    H    ASN  22           H        ASN  22  13.163   6.413   3.047
    2    HA   ASN  22           HA       ASN  22  12.394   8.350   0.988
    3    HB2  ASN  22           HB2      ASN  22  13.538   6.227  -0.026
    4    HB3  ASN  22           HB3      ASN  22  12.139   5.356   0.562
    5   HD21  ASN  22          HD21      ASN  22  11.698   8.607  -0.680
    6   HD22  ASN  22          HD22      ASN  22  10.948   8.103  -2.161

  No H/Q in entry =           6
  In of MODEL    4
    1    H    PHE  23           H        PHE  23   9.973   7.934   0.436
    2    HA   PHE  23           HA       PHE  23   8.587   6.958   2.847
    3    HB2  PHE  23           HB2      PHE  23   8.009   9.406   1.181
    4    HB3  PHE  23           HB3      PHE  23   6.828   8.708   2.279
    5    HD1  PHE  23           HD1      PHE  23  10.359   9.935   2.288
    6    HD2  PHE  23           HD2      PHE  23   6.683   9.543   4.393
    7    HE1  PHE  23           HE1      PHE  23  11.275  11.284   4.134
    8    HE2  PHE  23           HE2      PHE  23   7.589  10.888   6.240
    9    HZ   PHE  23           HZ       PHE  23   9.890  11.749   6.118

  No H/Q in entry =           9
  In of MODEL    4
    1    H    LEU  24           H        LEU  24   7.202   5.362   2.445
    2    HA   LEU  24           HA       LEU  24   6.603   4.647  -0.320
    3    HB2  LEU  24           HB2      LEU  24   7.068   3.222   2.004
    4    HB3  LEU  24           HB3      LEU  24   5.351   3.034   1.755
    5    HG   LEU  24           HG       LEU  24   7.569   2.200  -0.136
    6   HD11  LEU  24          HD11      LEU  24   7.214   0.733   1.800
    7   HD12  LEU  24          HD12      LEU  24   5.506   0.603   1.385
    8   HD13  LEU  24          HD13      LEU  24   6.729  -0.051   0.295
    9   HD21  LEU  24          HD21      LEU  24   4.580   2.065  -0.521
   10   HD22  LEU  24          HD22      LEU  24   5.736   2.988  -1.484
   11   HD23  LEU  24          HD23      LEU  24   5.771   1.224  -1.515

  No H/Q in entry =          11
  In of MODEL    4
    1    H    ASN  25           H        ASN  25   4.523   4.388  -1.083
    2    HA   ASN  25           HA       ASN  25   2.340   5.347   0.615
    3    HB2  ASN  25           HB2      ASN  25   3.061   6.360  -2.131
    4    HB3  ASN  25           HB3      ASN  25   1.384   6.365  -1.611
    5   HD21  ASN  25          HD21      ASN  25   1.147   8.540  -1.577
    6   HD22  ASN  25          HD22      ASN  25   1.948   9.571  -0.447

  No H/Q in entry =           6
  In of MODEL    4
    1    H    CYS  26           H        CYS  26   0.713   3.903   0.650
    2    HA   CYS  26           HA       CYS  26   0.422   2.090  -1.647
    3    HB2  CYS  26           HB2      CYS  26   1.438   1.079   0.494
    4    HB3  CYS  26           HB3      CYS  26  -0.179   1.257   1.179

  No H/Q in entry =           4
  In of MODEL    4
    1    H    TYR  27           H        TYR  27  -1.517   2.226  -2.547
    2    HA   TYR  27           HA       TYR  27  -3.639   3.598  -1.024
    3    HB2  TYR  27           HB2      TYR  27  -2.742   3.993  -3.877
    4    HB3  TYR  27           HB3      TYR  27  -4.344   4.464  -3.343
    5    HD1  TYR  27           HD1      TYR  27  -0.718   5.188  -2.950
    6    HD2  TYR  27           HD2      TYR  27  -4.694   6.486  -2.129
    7    HE1  TYR  27           HE1      TYR  27   0.129   7.412  -2.390
    8    HE2  TYR  27           HE2      TYR  27  -3.842   8.716  -1.553
    9    HH   TYR  27           HH       TYR  27  -0.806   9.784  -2.349

  No H/Q in entry =           9
  In of MODEL    4
    1    H    VAL  28           H        VAL  28  -5.129   2.080  -0.631
    2    HA   VAL  28           HA       VAL  28  -5.900   0.335  -2.883
    3    HB   VAL  28           HB       VAL  28  -6.614  -0.322  -0.042
    4   HG11  VAL  28          HG11      VAL  28  -6.130  -1.968  -2.512
    5   HG12  VAL  28          HG12      VAL  28  -6.602  -2.607  -0.935
    6   HG13  VAL  28          HG13      VAL  28  -7.698  -1.548  -1.823
    7   HG21  VAL  28          HG21      VAL  28  -3.983  -0.935  -1.375
    8   HG22  VAL  28          HG22      VAL  28  -4.246  -0.069   0.144
    9   HG23  VAL  28          HG23      VAL  28  -4.597  -1.798   0.040

  No H/Q in entry =           9
  In of MODEL    4
    1    H    SER  29           H        SER  29  -7.758   0.993  -3.782
    2    HA   SER  29           HA       SER  29  -9.924   1.938  -2.071
    3    HB2  SER  29           HB2      SER  29  -8.850   3.644  -4.328
    4    HB3  SER  29           HB3      SER  29 -10.205   4.034  -3.267
    5    HG   SER  29           HG       SER  29  -8.084   3.437  -1.764

  No H/Q in entry =           5
  In of MODEL    4
    1    H    GLY  30           H        GLY  30 -11.861   2.632  -3.543
    2    HA2  GLY  30           HA2      GLY  30 -12.049   1.022  -5.976
    3    HA3  GLY  30           HA3      GLY  30 -13.191   2.253  -5.454

  No H/Q in entry =           3
  In of MODEL    4
    1    H    PHE  31           H        PHE  31 -13.064   0.994  -2.693
    2    HA   PHE  31           HA       PHE  31 -14.662  -1.409  -3.253
    3    HB2  PHE  31           HB2      PHE  31 -13.666  -2.450  -1.283
    4    HB3  PHE  31           HB3      PHE  31 -12.398  -1.925  -2.408
    5    HD1  PHE  31           HD1      PHE  31 -10.905  -0.129  -1.861
    6    HD2  PHE  31           HD2      PHE  31 -14.014  -1.251   0.818
    7    HE1  PHE  31           HE1      PHE  31  -9.866   1.218  -0.090
    8    HE2  PHE  31           HE2      PHE  31 -12.966   0.079   2.595
    9    HZ   PHE  31           HZ       PHE  31 -10.896   1.321   2.137

  No H/Q in entry =           9
  In of MODEL    4
    1    H    HIS  32           H        HIS  32 -15.633  -2.146  -0.997
    2    HA   HIS  32           HA       HIS  32 -16.650   0.064   0.613
    3    HB2  HIS  32           HB2      HIS  32 -18.587  -1.953  -0.641
    4    HB3  HIS  32           HB3      HIS  32 -18.983  -0.768   0.587
    5    HD2  HIS  32           HD2      HIS  32 -18.056  -0.851  -3.217
    6    HE1  HIS  32           HE1      HIS  32 -19.936   2.817  -2.258
    7    HE2  HIS  32           HE2      HIS  32 -18.831   1.464  -4.092

  No H/Q in entry =           7
  In of MODEL    4
    1    HA   PRO  33           HA       PRO  33 -18.895  -0.535   2.306
    2    HB2  PRO  33           HB2      PRO  33 -17.892  -0.410   5.081
    3    HB3  PRO  33           HB3      PRO  33 -19.526  -0.716   4.485
    4    HG2  PRO  33           HG2      PRO  33 -18.058  -2.680   5.540
    5    HG3  PRO  33           HG3      PRO  33 -19.127  -2.973   4.155
    6    HD2  PRO  33           HD2      PRO  33 -16.155  -2.586   4.206
    7    HD3  PRO  33           HD3      PRO  33 -17.123  -3.759   3.283

  No H/Q in entry =           7
  In of MODEL    4
    1    H    SER  34           H        SER  34 -16.214   0.230   4.602
    2    HA   SER  34           HA       SER  34 -15.359   2.417   2.922
    3    HB2  SER  34           HB2      SER  34 -15.628   4.073   4.719
    4    HB3  SER  34           HB3      SER  34 -17.198   3.376   4.312
    5    HG   SER  34           HG       SER  34 -15.700   3.169   6.636

  No H/Q in entry =           5
  In of MODEL    4
    1    H    ASP  35           H        ASP  35 -14.441  -0.193   4.003
    2    HA   ASP  35           HA       ASP  35 -12.050   0.664   5.426
    3    HB2  ASP  35           HB2      ASP  35 -13.235   0.309   7.372
    4    HB3  ASP  35           HB3      ASP  35 -14.210  -0.987   6.677

  No H/Q in entry =           4
  In of MODEL    4
    1    H    ILE  36           H        ILE  36 -10.342  -0.496   4.969
    2    HA   ILE  36           HA       ILE  36 -10.549  -3.316   4.279
    3    HB   ILE  36           HB       ILE  36 -10.476  -1.963   2.081
    4   HG12  ILE  36          HG12      ILE  36  -8.582  -4.154   2.861
    5   HG13  ILE  36          HG13      ILE  36  -9.998  -4.230   1.823
    6   HG21  ILE  36          HG21      ILE  36  -7.670  -1.499   3.078
    7   HG22  ILE  36          HG22      ILE  36  -8.183  -1.250   1.408
    8   HG23  ILE  36          HG23      ILE  36  -8.872  -0.267   2.696
    9   HD11  ILE  36          HD11      ILE  36  -7.379  -2.934   1.100
   10   HD12  ILE  36          HD12      ILE  36  -7.907  -4.534   0.583
   11   HD13  ILE  36          HD13      ILE  36  -8.782  -3.100   0.047

  No H/Q in entry =          11
  In of MODEL    4
    1    H    GLU  37           H        GLU  37  -8.491  -4.434   4.639
    2    HA   GLU  37           HA       GLU  37  -6.672  -2.849   6.297
    3    HB2  GLU  37           HB2      GLU  37  -7.988  -4.890   7.248
    4    HB3  GLU  37           HB3      GLU  37  -6.839  -5.839   6.313
    5    HG2  GLU  37           HG2      GLU  37  -6.017  -5.700   8.544
    6    HG3  GLU  37           HG3      GLU  37  -4.993  -4.679   7.530

  No H/Q in entry =           6
  In of MODEL    4
    1    H    VAL  38           H        VAL  38  -4.787  -2.466   5.384
    2    HA   VAL  38           HA       VAL  38  -3.686  -4.435   3.528
    3    HB   VAL  38           HB       VAL  38  -3.967  -3.051   1.817
    4   HG11  VAL  38          HG11      VAL  38  -4.523  -0.873   3.800
    5   HG12  VAL  38          HG12      VAL  38  -4.697  -0.708   2.051
    6   HG13  VAL  38          HG13      VAL  38  -5.691  -1.869   2.934
    7   HG21  VAL  38          HG21      VAL  38  -1.943  -1.316   3.231
    8   HG22  VAL  38          HG22      VAL  38  -1.609  -2.602   2.077
    9   HG23  VAL  38          HG23      VAL  38  -2.421  -1.126   1.539

  No H/Q in entry =           9
  In of MODEL    4
    1    H    ASP  39           H        ASP  39  -1.568  -4.784   3.641
    2    HA   ASP  39           HA       ASP  39  -0.074  -3.404   5.767
    3    HB2  ASP  39           HB2      ASP  39  -0.444  -5.273   6.999
    4    HB3  ASP  39           HB3      ASP  39  -0.854  -6.245   5.600

  No H/Q in entry =           4
  In of MODEL    4
    1    H    LEU  40           H        LEU  40   2.117  -3.202   5.430
    2    HA   LEU  40           HA       LEU  40   2.919  -3.573   2.648
    3    HB2  LEU  40           HB2      LEU  40   4.440  -2.051   4.756
    4    HB3  LEU  40           HB3      LEU  40   4.611  -1.948   3.014
    5    HG   LEU  40           HG       LEU  40   2.241  -0.972   4.608
    6   HD11  LEU  40          HD11      LEU  40   4.435   0.527   3.184
    7   HD12  LEU  40          HD12      LEU  40   3.013   1.256   3.930
    8   HD13  LEU  40          HD13      LEU  40   4.202   0.418   4.932
    9   HD21  LEU  40          HD21      LEU  40   2.816  -0.925   1.657
   10   HD22  LEU  40          HD22      LEU  40   1.446  -1.675   2.483
   11   HD23  LEU  40          HD23      LEU  40   1.597   0.086   2.438

  No H/Q in entry =          11
  In of MODEL    4
    1    H    LEU  41           H        LEU  41   4.700  -4.726   2.058
    2    HA   LEU  41           HA       LEU  41   5.700  -6.553   4.136
    3    HB2  LEU  41           HB2      LEU  41   5.669  -7.217   1.231
    4    HB3  LEU  41           HB3      LEU  41   5.789  -8.283   2.596
    5    HG   LEU  41           HG       LEU  41   3.300  -6.794   1.809
    6   HD11  LEU  41          HD11      LEU  41   3.946  -8.504   0.198
    7   HD12  LEU  41          HD12      LEU  41   4.079  -9.688   1.499
    8   HD13  LEU  41          HD13      LEU  41   2.513  -8.994   1.097
    9   HD21  LEU  41          HD21      LEU  41   3.802  -8.917   3.892
   10   HD22  LEU  41          HD22      LEU  41   3.452  -7.218   4.210
   11   HD23  LEU  41          HD23      LEU  41   2.227  -8.245   3.463

  No H/Q in entry =          11
  In of MODEL    4
    1    H    LYS  42           H        LYS  42   7.581  -7.794   3.151
    2    HA   LYS  42           HA       LYS  42   9.502  -6.217   1.715
    3    HB2  LYS  42           HB2      LYS  42   9.836  -6.765   4.623
    4    HB3  LYS  42           HB3      LYS  42  11.264  -6.833   3.591
    5    HG2  LYS  42           HG2      LYS  42  10.676  -4.566   2.744
    6    HG3  LYS  42           HG3      LYS  42   9.389  -4.494   3.941
    7    HD2  LYS  42           HD2      LYS  42  12.269  -4.975   4.708
    8    HD3  LYS  42           HD3      LYS  42  11.638  -3.352   4.467
    9    HE2  LYS  42           HE2      LYS  42  11.458  -3.690   6.758
   10    HE3  LYS  42           HE3      LYS  42   9.833  -4.012   6.159
   11    HZ1  LYS  42           HZ1      LYS  42  11.823  -6.154   6.615
   12    HZ2  LYS  42           HZ2      LYS  42  10.740  -5.634   7.811
   13    HZ3  LYS  42           HZ3      LYS  42  10.146  -6.311   6.377

  No H/Q in entry =          13
  In of MODEL    4
    1    H    ASN  43           H        ASN  43   9.704  -7.643   0.173
    2    HA   ASN  43           HA       ASN  43  10.094  -9.523  -0.989
    3    HB2  ASN  43           HB2      ASN  43  11.661 -10.224   1.476
    4    HB3  ASN  43           HB3      ASN  43  11.565 -11.318   0.104
    5   HD21  ASN  43          HD21      ASN  43  12.872  -8.375   1.339
    6   HD22  ASN  43          HD22      ASN  43  13.936  -8.051   0.018

  No H/Q in entry =           6
  In of MODEL    4
    1    H    GLY  44           H        GLY  44   8.334  -9.634   1.858
    2    HA2  GLY  44           HA2      GLY  44   7.390 -12.362   1.453
    3    HA3  GLY  44           HA3      GLY  44   6.248 -11.060   1.112

  No H/Q in entry =           3
  In of MODEL    4
    1    H    GLU  45           H        GLU  45   8.169  -9.977   3.582
    2    HA   GLU  45           HA       GLU  45   6.575 -11.296   5.641
    3    HB2  GLU  45           HB2      GLU  45   8.366 -10.744   7.147
    4    HB3  GLU  45           HB3      GLU  45   9.007 -11.456   5.679
    5    HG2  GLU  45           HG2      GLU  45  10.477  -9.810   6.012
    6    HG3  GLU  45           HG3      GLU  45   9.353  -9.050   4.910

  No H/Q in entry =           6
  In of MODEL    4
    1    H    ARG  46           H        ARG  46   5.603 -10.118   7.298
    2    HA   ARG  46           HA       ARG  46   4.405  -7.693   6.465
    3    HB2  ARG  46           HB2      ARG  46   3.249  -9.438   7.798
    4    HB3  ARG  46           HB3      ARG  46   4.305  -9.079   9.150
    5    HG2  ARG  46           HG2      ARG  46   3.315  -6.996   9.484
    6    HG3  ARG  46           HG3      ARG  46   2.507  -7.046   7.903
    7    HD2  ARG  46           HD2      ARG  46   1.740  -8.423  10.426
    8    HD3  ARG  46           HD3      ARG  46   0.727  -7.755   9.146
    9    HE   ARG  46           HE       ARG  46   2.205 -10.219   8.629
   10   HH11  ARG  46          HH11      ARG  46  -0.855  -8.596   9.193
   11   HH12  ARG  46          HH12      ARG  46  -1.804  -9.939   8.636
   12   HH21  ARG  46          HH21      ARG  46   0.938 -11.979   7.887
   13   HH22  ARG  46          HH22      ARG  46  -0.794 -11.846   7.867

  No H/Q in entry =          13
  In of MODEL    4
    1    H    ILE  47           H        ILE  47   4.786  -5.622   6.985
    2    HA   ILE  47           HA       ILE  47   7.033  -4.991   8.764
    3    HB   ILE  47           HB       ILE  47   5.468  -3.181   6.908
    4   HG12  ILE  47          HG12      ILE  47   8.262  -4.263   6.577
    5   HG13  ILE  47          HG13      ILE  47   6.849  -4.948   5.776
    6   HG21  ILE  47          HG21      ILE  47   6.466  -2.011   8.829
    7   HG22  ILE  47          HG22      ILE  47   8.043  -2.674   8.397
    8   HG23  ILE  47          HG23      ILE  47   7.232  -1.552   7.305
    9   HD11  ILE  47          HD11      ILE  47   7.860  -2.134   5.443
   10   HD12  ILE  47          HD12      ILE  47   8.104  -3.462   4.307
   11   HD13  ILE  47          HD13      ILE  47   6.479  -2.849   4.615

  No H/Q in entry =          11
  In of MODEL    4
    1    H    GLU  48           H        GLU  48   6.756  -3.806  10.627
    2    HA   GLU  48           HA       GLU  48   4.003  -3.725  11.552
    3    HB2  GLU  48           HB2      GLU  48   5.278  -3.346  13.827
    4    HB3  GLU  48           HB3      GLU  48   5.100  -4.944  13.129
    5    HG2  GLU  48           HG2      GLU  48   7.534  -3.255  12.720
    6    HG3  GLU  48           HG3      GLU  48   7.360  -4.353  14.072

  No H/Q in entry =           6
  In of MODEL    4
    1    H    LYS  49           H        LYS  49   6.842  -1.502  11.443
    2    HA   LYS  49           HA       LYS  49   5.547   0.624  12.685
    3    HB2  LYS  49           HB2      LYS  49   7.836   0.626  10.747
    4    HB3  LYS  49           HB3      LYS  49   7.362   1.988  11.768
    5    HG2  LYS  49           HG2      LYS  49   7.643   0.515  13.730
    6    HG3  LYS  49           HG3      LYS  49   8.294  -0.700  12.666
    7    HD2  LYS  49           HD2      LYS  49   9.444   2.049  12.842
    8    HD3  LYS  49           HD3      LYS  49   9.970   0.723  13.877
    9    HE2  LYS  49           HE2      LYS  49  10.617  -0.578  11.945
   10    HE3  LYS  49           HE3      LYS  49  10.011   0.682  10.866
   11    HZ1  LYS  49           HZ1      LYS  49  12.192   1.102  12.838
   12    HZ2  LYS  49           HZ2      LYS  49  12.450   0.745  11.197
   13    HZ3  LYS  49           HZ3      LYS  49  11.672   2.180  11.643

  No H/Q in entry =          13
  In of MODEL    4
    1    H    VAL  50           H        VAL  50   4.611  -0.640   9.809
    2    HA   VAL  50           HA       VAL  50   4.063   1.559   8.191
    3    HB   VAL  50           HB       VAL  50   2.386  -0.910   8.646
    4   HG11  VAL  50          HG11      VAL  50   1.150   0.984   7.596
    5   HG12  VAL  50          HG12      VAL  50   2.349   0.986   6.297
    6   HG13  VAL  50          HG13      VAL  50   1.320  -0.424   6.541
    7   HG21  VAL  50          HG21      VAL  50   4.666  -1.384   7.926
    8   HG22  VAL  50          HG22      VAL  50   3.507  -1.757   6.656
    9   HG23  VAL  50          HG23      VAL  50   4.469  -0.287   6.559

  No H/Q in entry =           9
  In of MODEL    4
    1    H    GLU  51           H        GLU  51   2.571   3.162   8.232
    2    HA   GLU  51           HA       GLU  51   0.545   3.078  10.357
    3    HB2  GLU  51           HB2      GLU  51   2.100   5.551   9.579
    4    HB3  GLU  51           HB3      GLU  51   0.877   5.415  10.840
    5    HG2  GLU  51           HG2      GLU  51   2.300   3.947  12.113
    6    HG3  GLU  51           HG3      GLU  51   3.526   3.998  10.845

  No H/Q in entry =           6
  In of MODEL    4
    1    H    HIS  52           H        HIS  52  -1.382   3.917   9.879
    2    HA   HIS  52           HA       HIS  52  -1.802   4.928   7.145
    3    HB2  HIS  52           HB2      HIS  52  -4.194   4.326   7.444
    4    HB3  HIS  52           HB3      HIS  52  -3.116   2.941   7.530
    5    HD2  HIS  52           HD2      HIS  52  -2.611   2.166  10.354
    6    HE1  HIS  52           HE1      HIS  52  -6.437   3.586  11.462
    7    HE2  HIS  52           HE2      HIS  52  -4.358   2.374  12.255

  No H/Q in entry =           7
  In of MODEL    4
    1    H    SER  53           H        SER  53  -2.454   6.965   6.861
    2    HA   SER  53           HA       SER  53  -2.869   8.627   9.198
    3    HB2  SER  53           HB2      SER  53  -1.468   9.320   7.189
    4    HB3  SER  53           HB3      SER  53  -2.980   9.497   6.304
    5    HG   SER  53           HG       SER  53  -1.818  11.240   7.941

  No H/Q in entry =           5
  In of MODEL    4
    1    H    ASP  54           H        ASP  54  -4.633  10.539   8.073
    2    HA   ASP  54           HA       ASP  54  -7.074   9.478   8.969
    3    HB2  ASP  54           HB2      ASP  54  -6.487  11.896   8.996
    4    HB3  ASP  54           HB3      ASP  54  -6.690  11.931   7.246

  No H/Q in entry =           4
  In of MODEL    4
    1    H    LEU  55           H        LEU  55  -8.755   8.595   8.001
    2    HA   LEU  55           HA       LEU  55  -8.561   7.061   5.761
    3    HB2  LEU  55           HB2      LEU  55 -10.390   7.160   7.593
    4    HB3  LEU  55           HB3      LEU  55 -11.201   8.280   6.523
    5    HG   LEU  55           HG       LEU  55 -11.980   5.877   6.440
    6   HD11  LEU  55          HD11      LEU  55 -12.469   7.494   4.651
    7   HD12  LEU  55          HD12      LEU  55 -10.989   7.004   3.831
    8   HD13  LEU  55          HD13      LEU  55 -12.296   5.844   4.052
    9   HD21  LEU  55          HD21      LEU  55  -9.783   4.828   6.584
   10   HD22  LEU  55          HD22      LEU  55 -10.660   4.303   5.145
   11   HD23  LEU  55          HD23      LEU  55  -9.363   5.489   5.003

  No H/Q in entry =          11
  In of MODEL    4
    1    H    SER  56           H        SER  56 -10.867   9.729   5.612
    2    HA   SER  56           HA       SER  56  -9.861  11.072   3.371
    3    HB2  SER  56           HB2      SER  56 -11.700   8.761   2.778
    4    HB3  SER  56           HB3      SER  56 -11.741  10.204   1.770
    5    HG   SER  56           HG       SER  56  -9.358   8.768   2.330

  No H/Q in entry =           5
  In of MODEL    4
    1    H    PHE  57           H        PHE  57 -11.930  12.069   2.135
    2    HA   PHE  57           HA       PHE  57 -14.065  12.589   4.086
    3    HB2  PHE  57           HB2      PHE  57 -12.535  14.555   4.106
    4    HB3  PHE  57           HB3      PHE  57 -12.768  14.738   2.371
    5    HD1  PHE  57           HD1      PHE  57 -14.593  15.930   1.517
    6    HD2  PHE  57           HD2      PHE  57 -14.521  14.829   5.626
    7    HE1  PHE  57           HE1      PHE  57 -16.548  17.364   1.931
    8    HE2  PHE  57           HE2      PHE  57 -16.476  16.262   6.047
    9    HZ   PHE  57           HZ       PHE  57 -17.493  17.530   4.200

  No H/Q in entry =           9
  In of MODEL    4
    1    H    SER  58           H        SER  58 -15.829  11.796   3.203
    2    HA   SER  58           HA       SER  58 -16.092  10.969   0.560
    3    HB2  SER  58           HB2      SER  58 -18.359  11.691   2.429
    4    HB3  SER  58           HB3      SER  58 -18.395  10.526   1.103
    5    HG   SER  58           HG       SER  58 -18.112   9.388   3.002

  No H/Q in entry =           5
  In of MODEL    4
    1    H    LYS  59           H        LYS  59 -17.321  11.812  -1.222
    2    HA   LYS  59           HA       LYS  59 -18.098  14.566  -1.185
    3    HB2  LYS  59           HB2      LYS  59 -15.657  13.706  -2.758
    4    HB3  LYS  59           HB3      LYS  59 -16.535  15.199  -3.051
    5    HG2  LYS  59           HG2      LYS  59 -15.983  15.971  -0.805
    6    HG3  LYS  59           HG3      LYS  59 -15.122  14.462  -0.495
    7    HD2  LYS  59           HD2      LYS  59 -14.432  16.508  -2.605
    8    HD3  LYS  59           HD3      LYS  59 -13.563  16.239  -1.092
    9    HE2  LYS  59           HE2      LYS  59 -13.889  14.245  -3.332
   10    HE3  LYS  59           HE3      LYS  59 -12.431  15.168  -2.976
   11    HZ1  LYS  59           HZ1      LYS  59 -12.336  14.067  -0.808
   12    HZ2  LYS  59           HZ2      LYS  59 -13.697  13.143  -1.208
   13    HZ3  LYS  59           HZ3      LYS  59 -12.262  12.954  -2.080

  No H/Q in entry =          13
  In of MODEL    4
    1    H    ASP  60           H        ASP  60 -16.811  13.197  -4.133
    2    HA   ASP  60           HA       ASP  60 -19.507  12.279  -4.877
    3    HB2  ASP  60           HB2      ASP  60 -17.356  13.279  -6.755
    4    HB3  ASP  60           HB3      ASP  60 -19.025  12.896  -7.160

  No H/Q in entry =           4
  In of MODEL    4
    1    H    TRP  61           H        TRP  61 -16.031  11.844  -5.431
    2    HA   TRP  61           HA       TRP  61 -16.462   9.281  -6.679
    3    HB2  TRP  61           HB2      TRP  61 -14.715  10.907  -7.455
    4    HB3  TRP  61           HB3      TRP  61 -13.838  10.604  -5.962
    5    HD1  TRP  61           HD1      TRP  61 -11.985   8.863  -6.192
    6    HE1  TRP  61           HE1      TRP  61 -11.483   6.870  -7.750
    7    HE3  TRP  61           HE3      TRP  61 -16.233   8.985  -9.042
    8    HZ2  TRP  61           HZ2      TRP  61 -12.733   5.536  -9.895
    9    HZ3  TRP  61           HZ3      TRP  61 -16.514   7.323 -10.822
   10    HH2  TRP  61           HH2      TRP  61 -14.776   5.612 -11.246

  No H/Q in entry =          10
  In of MODEL    4
    1    H    SER  62           H        SER  62 -14.925   7.457  -5.962
    2    HA   SER  62           HA       SER  62 -15.754   6.498  -3.491
    3    HB2  SER  62           HB2      SER  62 -13.432   5.693  -5.262
    4    HB3  SER  62           HB3      SER  62 -13.980   4.738  -3.877
    5    HG   SER  62           HG       SER  62 -15.775   4.196  -4.930

  No H/Q in entry =           5
  In of MODEL    4
    1    H    PHE  63           H        PHE  63 -14.491   5.906  -1.642
    2    HA   PHE  63           HA       PHE  63 -12.872   8.087  -0.674
    3    HB2  PHE  63           HB2      PHE  63 -13.103   5.613   0.938
    4    HB3  PHE  63           HB3      PHE  63 -13.338   7.289   1.416
    5    HD1  PHE  63           HD1      PHE  63 -15.518   8.321   1.296
    6    HD2  PHE  63           HD2      PHE  63 -14.916   4.314  -0.014
    7    HE1  PHE  63           HE1      PHE  63 -17.957   7.958   1.283
    8    HE2  PHE  63           HE2      PHE  63 -17.350   3.947  -0.026
    9    HZ   PHE  63           HZ       PHE  63 -18.871   5.770   0.620

  No H/Q in entry =           9
  In of MODEL    4
    1    H    TYR  64           H        TYR  64 -10.818   7.592   0.513
    2    HA   TYR  64           HA       TYR  64  -9.274   5.479  -0.840
    3    HB2  TYR  64           HB2      TYR  64  -8.119   8.156  -0.043
    4    HB3  TYR  64           HB3      TYR  64  -7.410   6.948  -1.104
    5    HD1  TYR  64           HD1      TYR  64  -9.427   9.889  -0.906
    6    HD2  TYR  64           HD2      TYR  64  -8.512   6.547  -3.368
    7    HE1  TYR  64           HE1      TYR  64 -10.363  11.070  -2.844
    8    HE2  TYR  64           HE2      TYR  64  -9.448   7.721  -5.318
    9    HH   TYR  64           HH       TYR  64 -11.055   9.518  -5.780

  No H/Q in entry =           9
  In of MODEL    4
    1    H    LEU  65           H        LEU  65  -7.734   4.431   0.455
    2    HA   LEU  65           HA       LEU  65  -7.339   5.488   3.153
    3    HB2  LEU  65           HB2      LEU  65  -8.862   3.785   3.602
    4    HB3  LEU  65           HB3      LEU  65  -8.181   2.713   2.395
    5    HG   LEU  65           HG       LEU  65  -6.503   3.374   4.775
    6   HD11  LEU  65          HD11      LEU  65  -8.874   2.915   5.534
    7   HD12  LEU  65          HD12      LEU  65  -8.665   1.295   4.875
    8   HD13  LEU  65          HD13      LEU  65  -7.625   1.860   6.183
    9   HD21  LEU  65          HD21      LEU  65  -7.013   0.878   3.163
   10   HD22  LEU  65          HD22      LEU  65  -5.638   1.967   2.976
   11   HD23  LEU  65          HD23      LEU  65  -5.834   1.043   4.465

  No H/Q in entry =          11
  In of MODEL    4
    1    H    LEU  66           H        LEU  66  -5.289   5.493   3.843
    2    HA   LEU  66           HA       LEU  66  -3.341   4.674   1.800
    3    HB2  LEU  66           HB2      LEU  66  -3.969   7.184   2.361
    4    HB3  LEU  66           HB3      LEU  66  -2.855   6.931   3.674
    5    HG   LEU  66           HG       LEU  66  -2.169   6.625   0.766
    6   HD11  LEU  66          HD11      LEU  66  -1.501   8.819   2.722
    7   HD12  LEU  66          HD12      LEU  66  -0.863   8.679   1.084
    8   HD13  LEU  66          HD13      LEU  66  -2.587   8.949   1.340
    9   HD21  LEU  66          HD21      LEU  66  -0.514   6.400   3.251
   10   HD22  LEU  66          HD22      LEU  66  -0.767   5.185   2.004
   11   HD23  LEU  66          HD23      LEU  66   0.175   6.632   1.649

  No H/Q in entry =          11
  In of MODEL    4
    1    H    TYR  67           H        TYR  67  -1.815   3.325   2.432
    2    HA   TYR  67           HA       TYR  67  -1.046   3.242   5.276
    3    HB2  TYR  67           HB2      TYR  67  -1.655   1.046   3.387
    4    HB3  TYR  67           HB3      TYR  67  -0.281   0.810   4.460
    5    HD1  TYR  67           HD1      TYR  67  -0.610   0.793   6.905
    6    HD2  TYR  67           HD2      TYR  67  -3.908   0.927   4.218
    7    HE1  TYR  67           HE1      TYR  67  -2.100   0.031   8.709
    8    HE2  TYR  67           HE2      TYR  67  -5.390   0.151   6.004
    9    HH   TYR  67           HH       TYR  67  -5.140  -1.169   8.216

  No H/Q in entry =           9
  In of MODEL    4
    1    H    TYR  68           H        TYR  68   0.907   4.009   5.590
    2    HA   TYR  68           HA       TYR  68   2.919   3.606   3.476
    3    HB2  TYR  68           HB2      TYR  68   3.688   5.930   3.706
    4    HB3  TYR  68           HB3      TYR  68   2.002   5.875   3.191
    5    HD1  TYR  68           HD1      TYR  68   4.291   6.741   5.926
    6    HD2  TYR  68           HD2      TYR  68   0.240   6.693   4.637
    7    HE1  TYR  68           HE1      TYR  68   3.703   8.280   7.749
    8    HE2  TYR  68           HE2      TYR  68  -0.368   8.237   6.456
    9    HH   TYR  68           HH       TYR  68   2.034   9.815   8.408

  No H/Q in entry =           9
  In of MODEL    4
    1    H    THR  69           H        THR  69   5.142   4.090   4.195
    2    HA   THR  69           HA       THR  69   5.638   4.105   7.040
    3    HB   THR  69           HB       THR  69   5.226   1.679   6.600
    4    HG1  THR  69           HG1      THR  69   7.008   2.689   8.057
    5   HG21  THR  69          HG21      THR  69   7.620   1.965   4.780
    6   HG22  THR  69          HG22      THR  69   6.977   0.425   5.348
    7   HG23  THR  69          HG23      THR  69   5.988   1.468   4.324

  No H/Q in entry =           7
  In of MODEL    4
    1    H    GLU  70           H        GLU  70   7.678   4.777   7.518
    2    HA   GLU  70           HA       GLU  70   9.261   5.857   5.345
    3    HB2  GLU  70           HB2      GLU  70   8.907   7.085   7.501
    4    HB3  GLU  70           HB3      GLU  70   9.826   5.834   8.325
    5    HG2  GLU  70           HG2      GLU  70  11.798   6.417   7.003
    6    HG3  GLU  70           HG3      GLU  70  10.874   7.677   6.188

  No H/Q in entry =           6
  In of MODEL    4
    1    H    PHE  71           H        PHE  71  11.078   4.956   4.519
    2    HA   PHE  71           HA       PHE  71  12.168   2.575   5.759
    3    HB2  PHE  71           HB2      PHE  71  11.776   1.102   3.874
    4    HB3  PHE  71           HB3      PHE  71  10.236   1.720   4.453
    5    HD1  PHE  71           HD1      PHE  71  10.456   4.455   3.092
    6    HD2  PHE  71           HD2      PHE  71  11.115   0.489   1.710
    7    HE1  PHE  71           HE1      PHE  71   9.870   5.156   0.801
    8    HE2  PHE  71           HE2      PHE  71  10.530   1.182  -0.578
    9    HZ   PHE  71           HZ       PHE  71   9.925   3.525  -1.046

  No H/Q in entry =           9
  In of MODEL    4
    1    H    THR  72           H        THR  72  14.098   1.802   4.611
    2    HA   THR  72           HA       THR  72  15.274   3.815   2.824
    3    HB   THR  72           HB       THR  72  16.721   2.198   4.934
    4    HG1  THR  72           HG1      THR  72  15.271   4.260   5.322
    5   HG21  THR  72          HG21      THR  72  18.119   2.674   2.969
    6   HG22  THR  72          HG22      THR  72  17.732   4.390   3.107
    7   HG23  THR  72          HG23      THR  72  18.659   3.588   4.377

  No H/Q in entry =           7
  In of MODEL    4
    1    HA   PRO  73           HA       PRO  73  14.951  -0.148   0.403
    2    HB2  PRO  73           HB2      PRO  73  15.559   1.279  -1.951
    3    HB3  PRO  73           HB3      PRO  73  13.932   0.873  -1.367
    4    HG2  PRO  73           HG2      PRO  73  15.473   3.413  -1.085
    5    HG3  PRO  73           HG3      PRO  73  13.733   3.181  -1.348
    6    HD2  PRO  73           HD2      PRO  73  14.686   3.849   1.060
    7    HD3  PRO  73           HD3      PRO  73  13.333   2.702   0.894

  No H/Q in entry =           7
  In of MODEL    4
    1    H    THR  74           H        THR  74  16.492  -1.375  -0.619
    2    HA   THR  74           HA       THR  74  19.167  -0.262  -0.969
    3    HB   THR  74           HB       THR  74  20.268  -2.112   0.141
    4    HG1  THR  74           HG1      THR  74  17.720  -3.046   0.969
    5   HG21  THR  74          HG21      THR  74  19.632  -0.212   1.566
    6   HG22  THR  74          HG22      THR  74  18.098  -1.007   1.925
    7   HG23  THR  74          HG23      THR  74  19.614  -1.731   2.466

  No H/Q in entry =           7
  In of MODEL    4
    1    H    GLU  75           H        GLU  75  20.577  -1.908  -2.175
    2    HA   GLU  75           HA       GLU  75  19.395  -2.716  -4.550
    3    HB2  GLU  75           HB2      GLU  75  21.901  -2.465  -3.831
    4    HB3  GLU  75           HB3      GLU  75  21.788  -4.164  -3.485
    5    HG2  GLU  75           HG2      GLU  75  22.415  -4.399  -5.594
    6    HG3  GLU  75           HG3      GLU  75  20.741  -4.018  -5.966

  No H/Q in entry =           6
  In of MODEL    4
    1    H    LYS  76           H        LYS  76  19.868  -4.458  -1.542
    2    HA   LYS  76           HA       LYS  76  19.223  -6.985  -2.741
    3    HB2  LYS  76           HB2      LYS  76  20.092  -6.139   0.005
    4    HB3  LYS  76           HB3      LYS  76  19.616  -7.790  -0.351
    5    HG2  LYS  76           HG2      LYS  76  21.521  -8.240  -1.465
    6    HG3  LYS  76           HG3      LYS  76  21.624  -6.618  -2.152
    7    HD2  LYS  76           HD2      LYS  76  22.500  -5.724  -0.141
    8    HD3  LYS  76           HD3      LYS  76  22.155  -7.213   0.746
    9    HE2  LYS  76           HE2      LYS  76  23.783  -8.406  -0.683
   10    HE3  LYS  76           HE3      LYS  76  24.157  -6.887  -1.494
   11    HZ1  LYS  76           HZ1      LYS  76  24.475  -7.234   1.432
   12    HZ2  LYS  76           HZ2      LYS  76  25.711  -7.602   0.333
   13    HZ3  LYS  76           HZ3      LYS  76  25.121  -6.020   0.439

  No H/Q in entry =          13
  In of MODEL    4
    1    H    ASP  77           H        ASP  77  17.527  -4.553  -0.847
    2    HA   ASP  77           HA       ASP  77  15.654  -6.642   0.005
    3    HB2  ASP  77           HB2      ASP  77  14.806  -5.087   1.661
    4    HB3  ASP  77           HB3      ASP  77  16.553  -5.124   1.761

  No H/Q in entry =           4
  In of MODEL    4
    1    H    GLU  78           H        GLU  78  13.307  -5.798   0.168
    2    HA   GLU  78           HA       GLU  78  12.444  -4.084  -1.953
    3    HB2  GLU  78           HB2      GLU  78  12.699  -6.023  -3.328
    4    HB3  GLU  78           HB3      GLU  78  12.065  -7.084  -2.081
    5    HG2  GLU  78           HG2      GLU  78  10.141  -5.063  -3.020
    6    HG3  GLU  78           HG3      GLU  78  10.668  -6.219  -4.250

  No H/Q in entry =           6
  In of MODEL    4
    1    H    TYR  79           H        TYR  79  10.257  -3.501  -1.699
    2    HA   TYR  79           HA       TYR  79   8.983  -4.485   0.732
    3    HB2  TYR  79           HB2      TYR  79   8.793  -1.648  -0.337
    4    HB3  TYR  79           HB3      TYR  79   8.118  -2.257   1.168
    5    HD1  TYR  79           HD1      TYR  79  11.427  -1.888  -0.541
    6    HD2  TYR  79           HD2      TYR  79   9.305  -1.923   3.150
    7    HE1  TYR  79           HE1      TYR  79  13.490  -1.290   0.645
    8    HE2  TYR  79           HE2      TYR  79  11.375  -1.321   4.342
    9    HH   TYR  79           HH       TYR  79  14.327  -0.504   2.646

  No H/Q in entry =           9
  In of MODEL    4
    1    H    ALA  80           H        ALA  80   6.726  -4.776   0.657
    2    HA   ALA  80           HA       ALA  80   5.588  -4.619  -2.061
    3    HB1  ALA  80           HB1      ALA  80   4.823  -6.805  -2.044
    4    HB2  ALA  80           HB2      ALA  80   6.435  -6.944  -1.341
    5    HB3  ALA  80           HB3      ALA  80   5.009  -6.966  -0.303

  No H/Q in entry =           5
  In of MODEL    4
    1    H    CYS  81           H        CYS  81   3.181  -4.801  -2.088
    2    HA   CYS  81           HA       CYS  81   2.017  -3.744   0.403
    3    HB2  CYS  81           HB2      CYS  81   1.573  -3.108  -2.470
    4    HB3  CYS  81           HB3      CYS  81   0.167  -3.080  -1.412

  No H/Q in entry =           4
  In of MODEL    4
    1    H    ARG  82           H        ARG  82   0.472  -4.924   1.365
    2    HA   ARG  82           HA       ARG  82  -0.757  -7.171  -0.124
    3    HB2  ARG  82           HB2      ARG  82   0.788  -7.692   1.885
    4    HB3  ARG  82           HB3      ARG  82  -0.484  -6.975   2.862
    5    HG2  ARG  82           HG2      ARG  82  -1.998  -8.691   1.611
    6    HG3  ARG  82           HG3      ARG  82  -0.472  -9.536   1.366
    7    HD2  ARG  82           HD2      ARG  82  -1.781  -8.773   3.954
    8    HD3  ARG  82           HD3      ARG  82  -1.420 -10.390   3.370
    9    HE   ARG  82           HE       ARG  82   0.636  -8.449   4.235
   10   HH11  ARG  82          HH11      ARG  82  -0.642 -11.713   4.038
   11   HH12  ARG  82          HH12      ARG  82   0.671 -12.417   4.943
   12   HH21  ARG  82          HH21      ARG  82   2.309  -9.337   5.454
   13   HH22  ARG  82          HH22      ARG  82   2.366 -11.055   5.753

  No H/Q in entry =          13
  In of MODEL    4
    1    H    VAL  83           H        VAL  83  -3.005  -7.251  -0.110
    2    HA   VAL  83           HA       VAL  83  -4.336  -5.640   1.967
    3    HB   VAL  83           HB       VAL  83  -5.883  -4.626   0.600
    4   HG11  VAL  83          HG11      VAL  83  -3.352  -4.735  -0.978
    5   HG12  VAL  83          HG12      VAL  83  -4.651  -3.572  -1.234
    6   HG13  VAL  83          HG13      VAL  83  -3.778  -3.599   0.302
    7   HG21  VAL  83          HG21      VAL  83  -5.149  -6.508  -1.625
    8   HG22  VAL  83          HG22      VAL  83  -6.618  -6.569  -0.653
    9   HG23  VAL  83          HG23      VAL  83  -6.328  -5.203  -1.731

  No H/Q in entry =           9
  In of MODEL    4
    1    H    ASN  84           H        ASN  84  -6.092  -6.473   2.844
    2    HA   ASN  84           HA       ASN  84  -6.987  -9.113   1.918
    3    HB2  ASN  84           HB2      ASN  84  -7.099  -8.057   4.760
    4    HB3  ASN  84           HB3      ASN  84  -7.455  -9.693   4.230
    5   HD21  ASN  84          HD21      ASN  84  -4.898  -7.343   4.706
    6   HD22  ASN  84          HD22      ASN  84  -3.609  -8.494   4.798

  No H/Q in entry =           6
  In of MODEL    4
    1    H    HIS  85           H        HIS  85  -9.023  -9.033   1.082
    2    HA   HIS  85           HA       HIS  85 -11.028  -7.605   2.644
    3    HB2  HIS  85           HB2      HIS  85 -10.186  -6.267   0.552
    4    HB3  HIS  85           HB3      HIS  85 -11.129  -7.443  -0.353
    5    HD2  HIS  85           HD2      HIS  85 -11.782  -4.701   2.422
    6    HE1  HIS  85           HE1      HIS  85 -15.346  -5.520   0.281
    7    HE2  HIS  85           HE2      HIS  85 -14.227  -3.967   1.936

  No H/Q in entry =           7
  In of MODEL    4
    1    H    VAL  86           H        VAL  86 -13.249  -8.333   1.969
    2    HA   VAL  86           HA       VAL  86 -13.304 -11.164   1.989
    3    HB   VAL  86           HB       VAL  86 -15.721 -10.975   2.007
    4   HG11  VAL  86          HG11      VAL  86 -14.551 -10.548   4.093
    5   HG12  VAL  86          HG12      VAL  86 -14.422  -8.836   3.687
    6   HG13  VAL  86          HG13      VAL  86 -16.005  -9.555   3.982
    7   HG21  VAL  86          HG21      VAL  86 -15.950  -9.226   0.301
    8   HG22  VAL  86          HG22      VAL  86 -16.866  -8.842   1.759
    9   HG23  VAL  86          HG23      VAL  86 -15.329  -8.037   1.446

  No H/Q in entry =           9
  In of MODEL    4
    1    H    THR  87           H        THR  87 -13.336  -8.836  -0.576
    2    HA   THR  87           HA       THR  87 -14.695 -10.447  -2.482
    3    HB   THR  87           HB       THR  87 -13.914  -8.841  -4.130
    4    HG1  THR  87           HG1      THR  87 -11.804  -8.470  -3.529
    5   HG21  THR  87          HG21      THR  87 -15.750  -8.147  -2.645
    6   HG22  THR  87          HG22      THR  87 -14.570  -7.439  -1.541
    7   HG23  THR  87          HG23      THR  87 -14.766  -6.777  -3.163

  No H/Q in entry =           7
  In of MODEL    4
    1    H    LEU  88           H        LEU  88 -11.328  -9.851  -1.676
    2    HA   LEU  88           HA       LEU  88 -10.315 -11.398  -3.861
    3    HB2  LEU  88           HB2      LEU  88  -8.942 -10.297  -1.396
    4    HB3  LEU  88           HB3      LEU  88  -8.108 -11.072  -2.730
    5    HG   LEU  88           HG       LEU  88  -9.614  -8.456  -2.798
    6   HD11  LEU  88          HD11      LEU  88  -7.338  -8.372  -1.846
    7   HD12  LEU  88          HD12      LEU  88  -6.714  -9.090  -3.335
    8   HD13  LEU  88          HD13      LEU  88  -7.464  -7.492  -3.379
    9   HD21  LEU  88          HD21      LEU  88 -10.054  -9.717  -4.841
   10   HD22  LEU  88          HD22      LEU  88  -9.017  -8.327  -5.158
   11   HD23  LEU  88          HD23      LEU  88  -8.321  -9.946  -5.078

  No H/Q in entry =          11
  In of MODEL    4
    1    H    SER  89           H        SER  89 -10.384 -13.552  -3.892
    2    HA   SER  89           HA       SER  89 -11.131 -15.069  -1.612
    3    HB2  SER  89           HB2      SER  89 -10.879 -17.016  -3.114
    4    HB3  SER  89           HB3      SER  89 -11.786 -15.717  -3.882
    5    HG   SER  89           HG       SER  89  -9.425 -16.847  -4.613

  No H/Q in entry =           5
  In of MODEL    4
    1    H    GLN  90           H        GLN  90  -8.171 -13.868  -2.697
    2    HA   GLN  90           HA       GLN  90  -6.757 -15.173  -0.536
    3    HB2  GLN  90           HB2      GLN  90  -5.402 -14.823  -3.213
    4    HB3  GLN  90           HB3      GLN  90  -4.880 -15.795  -1.849
    5    HG2  GLN  90           HG2      GLN  90  -6.444 -17.496  -2.341
    6    HG3  GLN  90           HG3      GLN  90  -7.300 -16.455  -3.491
    7   HE21  GLN  90          HE21      GLN  90  -7.071 -17.971  -5.135
    8   HE22  GLN  90          HE22      GLN  90  -5.557 -18.254  -5.920

  No H/Q in entry =           8
  In of MODEL    4
    1    HA   PRO  91           HA       PRO  91  -5.934 -10.672  -0.101
    2    HB2  PRO  91           HB2      PRO  91  -3.467 -11.919   1.098
    3    HB3  PRO  91           HB3      PRO  91  -4.383 -10.490   1.630
    4    HG2  PRO  91           HG2      PRO  91  -4.776 -12.764   2.875
    5    HG3  PRO  91           HG3      PRO  91  -6.181 -11.773   2.394
    6    HD2  PRO  91           HD2      PRO  91  -5.090 -14.292   1.151
    7    HD3  PRO  91           HD3      PRO  91  -6.799 -13.786   1.342

  No H/Q in entry =           7
  In of MODEL    4
    1    H    LYS  92           H        LYS  92  -4.364  -9.182  -0.955
    2    HA   LYS  92           HA       LYS  92  -3.120 -10.390  -3.336
    3    HB2  LYS  92           HB2      LYS  92  -5.159  -8.919  -3.642
    4    HB3  LYS  92           HB3      LYS  92  -4.129  -7.576  -3.143
    5    HG2  LYS  92           HG2      LYS  92  -4.209  -7.880  -5.599
    6    HG3  LYS  92           HG3      LYS  92  -2.581  -8.065  -4.915
    7    HD2  LYS  92           HD2      LYS  92  -2.478 -10.096  -5.808
    8    HD3  LYS  92           HD3      LYS  92  -3.759 -10.573  -4.716
    9    HE2  LYS  92           HE2      LYS  92  -4.386 -11.148  -6.974
   10    HE3  LYS  92           HE3      LYS  92  -5.446  -9.891  -6.331
   11    HZ1  LYS  92           HZ1      LYS  92  -3.986  -8.270  -7.542
   12    HZ2  LYS  92           HZ2      LYS  92  -3.258  -9.593  -8.310
   13    HZ3  LYS  92           HZ3      LYS  92  -4.912  -9.291  -8.527

  No H/Q in entry =          13
  In of MODEL    4
    1    H    ILE  93           H        ILE  93  -1.020 -10.100  -3.587
    2    HA   ILE  93           HA       ILE  93   0.264  -7.901  -2.113
    3    HB   ILE  93           HB       ILE  93   1.472 -10.521  -2.984
    4   HG12  ILE  93          HG12      ILE  93   1.988 -10.570  -0.431
    5   HG13  ILE  93          HG13      ILE  93   0.701  -9.383  -0.317
    6   HG21  ILE  93          HG21      ILE  93   3.057  -8.703  -3.304
    7   HG22  ILE  93          HG22      ILE  93   2.815  -8.194  -1.632
    8   HG23  ILE  93          HG23      ILE  93   3.554  -9.757  -1.977
    9   HD11  ILE  93          HD11      ILE  93  -0.841 -10.978  -1.334
   10   HD12  ILE  93          HD12      ILE  93   0.456 -12.167  -1.422
   11   HD13  ILE  93          HD13      ILE  93  -0.120 -11.604   0.146

  No H/Q in entry =          11
  In of MODEL    4
    1    H    VAL  94           H        VAL  94   1.116  -6.370  -3.275
    2    HA   VAL  94           HA       VAL  94   2.044  -6.975  -5.995
    3    HB   VAL  94           HB       VAL  94   0.708  -4.424  -5.061
    4   HG11  VAL  94          HG11      VAL  94   2.588  -3.914  -6.533
    5   HG12  VAL  94          HG12      VAL  94   1.977  -5.060  -7.725
    6   HG13  VAL  94          HG13      VAL  94   1.053  -3.607  -7.348
    7   HG21  VAL  94          HG21      VAL  94  -0.847  -6.236  -5.580
    8   HG22  VAL  94          HG22      VAL  94  -0.947  -4.957  -6.789
    9   HG23  VAL  94          HG23      VAL  94  -0.085  -6.450  -7.155

  No H/Q in entry =           9
  In of MODEL    4
    1    H    LYS  95           H        LYS  95   4.102  -6.564  -6.293
    2    HA   LYS  95           HA       LYS  95   5.631  -5.692  -4.002
    3    HB2  LYS  95           HB2      LYS  95   7.330  -6.900  -4.908
    4    HB3  LYS  95           HB3      LYS  95   6.071  -7.558  -5.929
    5    HG2  LYS  95           HG2      LYS  95   6.610  -6.008  -7.683
    6    HG3  LYS  95           HG3      LYS  95   7.810  -5.223  -6.660
    7    HD2  LYS  95           HD2      LYS  95   8.086  -8.112  -6.887
    8    HD3  LYS  95           HD3      LYS  95   8.300  -7.270  -8.417
    9    HE2  LYS  95           HE2      LYS  95  10.442  -7.062  -7.794
   10    HE3  LYS  95           HE3      LYS  95   9.906  -5.837  -6.652
   11    HZ1  LYS  95           HZ1      LYS  95  10.112  -8.745  -6.065
   12    HZ2  LYS  95           HZ2      LYS  95  11.264  -7.585  -5.622
   13    HZ3  LYS  95           HZ3      LYS  95   9.706  -7.533  -4.951

  No H/Q in entry =          13
  In of MODEL    4
    1    H    TRP  96           H        TRP  96   7.067  -3.957  -3.976
    2    HA   TRP  96           HA       TRP  96   6.285  -1.756  -5.708
    3    HB2  TRP  96           HB2      TRP  96   6.425  -1.304  -3.301
    4    HB3  TRP  96           HB3      TRP  96   8.109  -1.828  -3.269
    5    HD1  TRP  96           HD1      TRP  96   5.925   1.003  -4.752
    6    HE1  TRP  96           HE1      TRP  96   7.407   3.072  -5.054
    7    HE3  TRP  96           HE3      TRP  96  10.430  -1.025  -3.424
    8    HZ2  TRP  96           HZ2      TRP  96  10.133   3.770  -4.755
    9    HZ3  TRP  96           HZ3      TRP  96  12.427   0.404  -3.454
   10    HH2  TRP  96           HH2      TRP  96  12.276   2.770  -4.114

  No H/Q in entry =          10
  In of MODEL    4
    1    H    ASP  97           H        ASP  97   7.487  -0.976  -7.278
    2    HA   ASP  97           HA       ASP  97  10.306  -1.739  -7.477
    3    HB2  ASP  97           HB2      ASP  97  10.127  -2.207  -9.844
    4    HB3  ASP  97           HB3      ASP  97   8.959  -3.223  -8.991

  No H/Q in entry =           4
  In of MODEL    4
    1    H    ARG  98           H        ARG  98  11.530  -0.269  -8.809
    2    HA   ARG  98           HA       ARG  98  10.255   2.363  -8.904
    3    HB2  ARG  98           HB2      ARG  98  12.392   3.326  -8.482
    4    HB3  ARG  98           HB3      ARG  98  12.182   2.016  -7.345
    5    HG2  ARG  98           HG2      ARG  98  14.219   1.368  -7.935
    6    HG3  ARG  98           HG3      ARG  98  13.474   0.789  -9.424
    7    HD2  ARG  98           HD2      ARG  98  15.420   2.168  -9.923
    8    HD3  ARG  98           HD3      ARG  98  13.941   2.950 -10.489
    9    HE   ARG  98           HE       ARG  98  14.927   3.728  -7.859
   10   HH11  ARG  98          HH11      ARG  98  14.719   4.463 -11.275
   11   HH12  ARG  98          HH12      ARG  98  15.055   6.148 -11.064
   12   HH21  ARG  98          HH21      ARG  98  15.376   5.953  -7.570
   13   HH22  ARG  98          HH22      ARG  98  15.442   6.997  -8.959

  No H/Q in entry =          13
  In of MODEL    4
    1    H    ASP  99           H        ASP  99  11.898  -0.058 -10.703
    2    HA   ASP  99           HA       ASP  99  11.244   1.226 -13.193
    3    HB2  ASP  99           HB2      ASP  99  13.400   2.353 -12.274
    4    HB3  ASP  99           HB3      ASP  99  14.190   0.845 -12.717

  No H/Q in entry =           4
  In of MODEL    4
    1    H    MET 100           H        MET 100  12.368  -1.377 -11.310
    2    HA   MET 100           HA       MET 100  13.321  -3.417 -11.745
    3    HB2  MET 100           HB2      MET 100  11.121  -3.374 -13.814
    4    HB3  MET 100           HB3      MET 100  11.833  -4.805 -13.067
    5    HG2  MET 100           HG2      MET 100  10.942  -4.276 -10.960
    6    HG3  MET 100           HG3      MET 100  10.510  -2.632 -11.471
    7    HE1  MET 100           HE1      MET 100   8.534  -2.123 -13.178
    8    HE2  MET 100           HE2      MET 100   9.215  -3.234 -14.367
    9    HE3  MET 100           HE3      MET 100   7.514  -3.356 -13.919

  No H/Q in entry =           9
  In of MODEL    5
    1    HA   ILE   2           HA       ILE   2 -22.976  -8.259  -3.470
    2    HB   ILE   2           HB       ILE   2 -21.197  -9.536  -4.809
    3   HG12  ILE   2          HG12      ILE   2 -22.027  -7.533  -6.932
    4   HG13  ILE   2          HG13      ILE   2 -20.415  -7.682  -6.237
    5   HG21  ILE   2          HG21      ILE   2 -23.922  -9.032  -5.984
    6   HG22  ILE   2          HG22      ILE   2 -22.890 -10.410  -6.365
    7   HG23  ILE   2          HG23      ILE   2 -23.510 -10.199  -4.727
    8   HD11  ILE   2          HD11      ILE   2 -21.815  -9.785  -7.873
    9   HD12  ILE   2          HD12      ILE   2 -20.548  -8.699  -8.441
   10   HD13  ILE   2          HD13      ILE   2 -20.190  -9.900  -7.200

  No H/Q in entry =          10
  In of MODEL    5
    1    H    GLN   3           H        GLN   3 -20.148  -6.804  -5.123
    2    HA   GLN   3           HA       GLN   3 -19.152  -5.340  -3.009
    3    HB2  GLN   3           HB2      GLN   3 -18.878  -7.887  -2.209
    4    HB3  GLN   3           HB3      GLN   3 -17.445  -7.796  -3.216
    5    HG2  GLN   3           HG2      GLN   3 -16.728  -7.293  -1.006
    6    HG3  GLN   3           HG3      GLN   3 -16.783  -5.752  -1.875
    7   HE21  GLN   3          HE21      GLN   3 -17.006  -4.590   0.062
    8   HE22  GLN   3          HE22      GLN   3 -18.491  -4.579   0.945

  No H/Q in entry =           8
  In of MODEL    5
    1    H    ARG   4           H        ARG   4 -16.833  -4.606  -3.575
    2    HA   ARG   4           HA       ARG   4 -16.311  -5.060  -6.441
    3    HB2  ARG   4           HB2      ARG   4 -17.188  -2.885  -6.404
    4    HB3  ARG   4           HB3      ARG   4 -16.376  -2.478  -4.906
    5    HG2  ARG   4           HG2      ARG   4 -14.301  -2.114  -5.959
    6    HG3  ARG   4           HG3      ARG   4 -14.783  -3.015  -7.405
    7    HD2  ARG   4           HD2      ARG   4 -14.865  -0.233  -7.034
    8    HD3  ARG   4           HD3      ARG   4 -15.557  -1.158  -8.369
    9    HE   ARG   4           HE       ARG   4 -17.627  -1.288  -6.961
   10   HH11  ARG   4          HH11      ARG   4 -15.356   1.375  -6.642
   11   HH12  ARG   4          HH12      ARG   4 -16.542   2.461  -5.987
   12   HH21  ARG   4          HH21      ARG   4 -19.190   0.159  -6.152
   13   HH22  ARG   4          HH22      ARG   4 -18.722   1.779  -5.716

  No H/Q in entry =          13
  In of MODEL    5
    1    H    THR   5           H        THR   5 -14.196  -5.348  -7.063
    2    HA   THR   5           HA       THR   5 -12.521  -6.332  -4.966
    3    HB   THR   5           HB       THR   5 -11.033  -7.155  -6.700
    4    HG1  THR   5           HG1      THR   5 -11.348  -5.207  -8.070
    5   HG21  THR   5          HG21      THR   5 -13.968  -7.524  -7.205
    6   HG22  THR   5          HG22      THR   5 -12.752  -8.346  -8.182
    7   HG23  THR   5          HG23      THR   5 -12.819  -8.623  -6.446

  No H/Q in entry =           7
  In of MODEL    5
    1    HA   PRO   6           HA       PRO   6 -10.244  -2.498  -4.675
    2    HB2  PRO   6           HB2      PRO   6  -8.698  -3.737  -2.565
    3    HB3  PRO   6           HB3      PRO   6  -9.873  -2.425  -2.445
    4    HG2  PRO   6           HG2      PRO   6 -10.265  -4.952  -1.429
    5    HG3  PRO   6           HG3      PRO   6 -11.575  -3.829  -1.862
    6    HD2  PRO   6           HD2      PRO   6 -10.507  -6.194  -3.369
    7    HD3  PRO   6           HD3      PRO   6 -12.170  -5.565  -3.253

  No H/Q in entry =           7
  In of MODEL    5
    1    H    LYS   7           H        LYS   7  -8.493  -1.993  -5.823
    2    HA   LYS   7           HA       LYS   7  -6.776  -4.223  -6.654
    3    HB2  LYS   7           HB2      LYS   7  -8.090  -2.963  -8.407
    4    HB3  LYS   7           HB3      LYS   7  -7.155  -1.532  -8.006
    5    HG2  LYS   7           HG2      LYS   7  -5.129  -2.578  -8.767
    6    HG3  LYS   7           HG3      LYS   7  -5.971  -4.109  -9.024
    7    HD2  LYS   7           HD2      LYS   7  -7.385  -3.025 -10.720
    8    HD3  LYS   7           HD3      LYS   7  -6.510  -1.515 -10.475
    9    HE2  LYS   7           HE2      LYS   7  -5.265  -4.100 -11.409
   10    HE3  LYS   7           HE3      LYS   7  -5.760  -2.781 -12.467
   11    HZ1  LYS   7           HZ1      LYS   7  -4.212  -1.338 -11.179
   12    HZ2  LYS   7           HZ2      LYS   7  -3.635  -2.725 -10.398
   13    HZ3  LYS   7           HZ3      LYS   7  -3.448  -2.554 -12.076

  No H/Q in entry =          13
  In of MODEL    5
    1    H    ILE   8           H        ILE   8  -4.493  -3.739  -6.949
    2    HA   ILE   8           HA       ILE   8  -3.646  -2.269  -4.553
    3    HB   ILE   8           HB       ILE   8  -1.863  -4.125  -6.093
    4   HG12  ILE   8          HG12      ILE   8  -3.876  -5.422  -5.733
    5   HG13  ILE   8          HG13      ILE   8  -2.637  -5.963  -4.613
    6   HG21  ILE   8          HG21      ILE   8  -0.870  -2.760  -4.344
    7   HG22  ILE   8          HG22      ILE   8  -2.056  -3.358  -3.182
    8   HG23  ILE   8          HG23      ILE   8  -0.866  -4.460  -3.876
    9   HD11  ILE   8          HD11      ILE   8  -3.684  -4.658  -2.838
   10   HD12  ILE   8          HD12      ILE   8  -4.944  -4.155  -3.965
   11   HD13  ILE   8          HD13      ILE   8  -4.781  -5.857  -3.526

  No H/Q in entry =          11
  In of MODEL    5
    1    H    GLN   9           H        GLN   9  -2.870  -0.310  -4.875
    2    HA   GLN   9           HA       GLN   9  -0.987   0.055  -7.101
    3    HB2  GLN   9           HB2      GLN   9  -2.918   1.975  -5.816
    4    HB3  GLN   9           HB3      GLN   9  -1.536   2.545  -6.764
    5    HG2  GLN   9           HG2      GLN   9  -2.386   1.409  -8.718
    6    HG3  GLN   9           HG3      GLN   9  -3.706   0.715  -7.776
    7   HE21  GLN   9          HE21      GLN   9  -3.756   2.456 -10.138
    8   HE22  GLN   9          HE22      GLN   9  -4.702   3.839  -9.679

  No H/Q in entry =           8
  In of MODEL    5
    1    H    VAL  10           H        VAL  10   1.020   0.113  -6.399
    2    HA   VAL  10           HA       VAL  10   1.637   1.505  -3.907
    3    HB   VAL  10           HB       VAL  10   1.628  -0.686  -3.046
    4   HG11  VAL  10          HG11      VAL  10   1.495  -1.814  -5.259
    5   HG12  VAL  10          HG12      VAL  10   3.248  -1.679  -5.378
    6   HG13  VAL  10          HG13      VAL  10   2.519  -2.627  -4.077
    7   HG21  VAL  10          HG21      VAL  10   4.464  -0.042  -3.852
    8   HG22  VAL  10          HG22      VAL  10   3.634   0.460  -2.375
    9   HG23  VAL  10          HG23      VAL  10   4.016  -1.244  -2.643

  No H/Q in entry =           9
  In of MODEL    5
    1    H    TYR  11           H        TYR  11   3.320   2.749  -3.987
    2    HA   TYR  11           HA       TYR  11   5.505   2.459  -5.783
    3    HB2  TYR  11           HB2      TYR  11   5.040   4.531  -7.109
    4    HB3  TYR  11           HB3      TYR  11   3.895   3.244  -7.431
    5    HD1  TYR  11           HD1      TYR  11   4.340   6.505  -5.756
    6    HD2  TYR  11           HD2      TYR  11   1.577   3.504  -6.966
    7    HE1  TYR  11           HE1      TYR  11   2.478   8.042  -5.302
    8    HE2  TYR  11           HE2      TYR  11  -0.292   5.033  -6.510
    9    HH   TYR  11           HH       TYR  11  -0.755   7.018  -5.149

  No H/Q in entry =           9
  In of MODEL    5
    1    H    SER  12           H        SER  12   6.774   4.746  -5.664
    2    HA   SER  12           HA       SER  12   6.838   5.251  -2.784
    3    HB2  SER  12           HB2      SER  12   8.924   4.569  -4.076
    4    HB3  SER  12           HB3      SER  12   8.875   6.170  -4.809
    5    HG   SER  12           HG       SER  12   8.792   5.873  -2.007

  No H/Q in entry =           5
  In of MODEL    5
    1    H    ARG  13           H        ARG  13   6.774   7.327  -1.894
    2    HA   ARG  13           HA       ARG  13   5.061   9.227  -3.045
    3    HB2  ARG  13           HB2      ARG  13   6.016   8.945  -0.611
    4    HB3  ARG  13           HB3      ARG  13   7.298  10.003  -1.161
    5    HG2  ARG  13           HG2      ARG  13   4.369  10.660  -0.939
    6    HG3  ARG  13           HG3      ARG  13   5.671  11.271   0.064
    7    HD2  ARG  13           HD2      ARG  13   5.571  13.036  -1.331
    8    HD3  ARG  13           HD3      ARG  13   6.502  11.998  -2.397
    9    HE   ARG  13           HE       ARG  13   3.969  11.333  -3.019
   10   HH11  ARG  13          HH11      ARG  13   5.616  14.415  -2.775
   11   HH12  ARG  13          HH12      ARG  13   4.656  15.170  -4.019
   12   HH21  ARG  13          HH21      ARG  13   2.719  12.302  -4.641
   13   HH22  ARG  13          HH22      ARG  13   3.008  13.951  -5.100

  No H/Q in entry =          13
  In of MODEL    5
    1    H    HIS  14           H        HIS  14   8.586   9.143  -3.006
    2    HA   HIS  14           HA       HIS  14   8.634  11.094  -5.197
    3    HB2  HIS  14           HB2      HIS  14   9.710  11.423  -2.516
    4    HB3  HIS  14           HB3      HIS  14  11.004  11.493  -3.708
    5    HD2  HIS  14           HD2      HIS  14   7.419  13.083  -4.063
    6    HE1  HIS  14           HE1      HIS  14  10.379  16.093  -4.314
    7    HE2  HIS  14           HE2      HIS  14   7.894  15.633  -4.196

  No H/Q in entry =           7
  In of MODEL    5
    1    HA   PRO  15           HA       PRO  15  11.741   8.556  -7.267
    2    HB2  PRO  15           HB2      PRO  15  14.213   9.829  -6.744
    3    HB3  PRO  15           HB3      PRO  15  13.197  10.019  -8.186
    4    HG2  PRO  15           HG2      PRO  15  13.430  11.800  -5.781
    5    HG3  PRO  15           HG3      PRO  15  13.041  12.211  -7.484
    6    HD2  PRO  15           HD2      PRO  15  11.146  12.166  -5.549
    7    HD3  PRO  15           HD3      PRO  15  10.791  11.679  -7.234

  No H/Q in entry =           7
  In of MODEL    5
    1    H    ALA  16           H        ALA  16  12.828   6.756  -6.735
    2    HA   ALA  16           HA       ALA  16  13.287   6.280  -3.900
    3    HB1  ALA  16           HB1      ALA  16  11.899   4.701  -5.137
    4    HB2  ALA  16           HB2      ALA  16  13.233   4.390  -6.248
    5    HB3  ALA  16           HB3      ALA  16  13.369   3.921  -4.555

  No H/Q in entry =           5
  In of MODEL    5
    1    H    GLU  17           H        GLU  17  15.301   6.338  -3.082
    2    HA   GLU  17           HA       GLU  17  17.534   5.908  -4.931
    3    HB2  GLU  17           HB2      GLU  17  17.000   8.274  -3.844
    4    HB3  GLU  17           HB3      GLU  17  17.825   7.578  -2.461
    5    HG2  GLU  17           HG2      GLU  17  19.099   7.613  -5.165
    6    HG3  GLU  17           HG3      GLU  17  19.159   9.014  -4.115

  No H/Q in entry =           6
  In of MODEL    5
    1    H    ASN  18           H        ASN  18  18.819   4.294  -4.450
    2    HA   ASN  18           HA       ASN  18  18.295   2.680  -2.132
    3    HB2  ASN  18           HB2      ASN  18  18.770   1.331  -3.925
    4    HB3  ASN  18           HB3      ASN  18  20.017   2.407  -4.563
    5   HD21  ASN  18          HD21      ASN  18  21.592   0.889  -4.812
    6   HD22  ASN  18          HD22      ASN  18  22.324   0.031  -3.492

  No H/Q in entry =           6
  In of MODEL    5
    1    H    GLY  19           H        GLY  19  19.271   2.659  -0.250
    2    HA2  GLY  19           HA2      GLY  19  21.901   3.855   0.116
    3    HA3  GLY  19           HA3      GLY  19  20.912   3.064   1.356

  No H/Q in entry =           3
  In of MODEL    5
    1    H    LYS  20           H        LYS  20  18.584   4.696   0.347
    2    HA   LYS  20           HA       LYS  20  19.261   7.215   1.695
    3    HB2  LYS  20           HB2      LYS  20  19.280   7.303  -0.867
    4    HB3  LYS  20           HB3      LYS  20  17.550   7.038  -0.772
    5    HG2  LYS  20           HG2      LYS  20  18.026   9.379  -1.034
    6    HG3  LYS  20           HG3      LYS  20  17.297   9.094   0.533
    7    HD2  LYS  20           HD2      LYS  20  19.316   9.420   1.606
    8    HD3  LYS  20           HD3      LYS  20  20.254   9.193   0.145
    9    HE2  LYS  20           HE2      LYS  20  18.435  11.531   0.743
   10    HE3  LYS  20           HE3      LYS  20  20.200  11.559   0.811
   11    HZ1  LYS  20           HZ1      LYS  20  20.259  11.044  -1.555
   12    HZ2  LYS  20           HZ2      LYS  20  18.569  11.027  -1.610
   13    HZ3  LYS  20           HZ3      LYS  20  19.383  12.468  -1.269

  No H/Q in entry =          13
  In of MODEL    5
    1    H    SER  21           H        SER  21  17.534   8.277   2.635
    2    HA   SER  21           HA       SER  21  15.397   6.578   3.523
    3    HB2  SER  21           HB2      SER  21  15.986   9.494   4.002
    4    HB3  SER  21           HB3      SER  21  14.718   8.580   4.815
    5    HG   SER  21           HG       SER  21  16.163   7.721   6.088

  No H/Q in entry =           5
  In of MODEL    5
    1    H    ASN  22           H        ASN  22  13.334   6.610   2.895
    2    HA   ASN  22           HA       ASN  22  12.396   8.595   0.976
    3    HB2  ASN  22           HB2      ASN  22  13.231   5.908   0.210
    4    HB3  ASN  22           HB3      ASN  22  11.518   6.142  -0.126
    5   HD21  ASN  22          HD21      ASN  22  10.900   7.638  -1.682
    6   HD22  ASN  22          HD22      ASN  22  12.027   8.325  -2.800

  No H/Q in entry =           6
  In of MODEL    5
    1    H    PHE  23           H        PHE  23   9.996   7.934   0.380
    2    HA   PHE  23           HA       PHE  23   8.711   6.895   2.810
    3    HB2  PHE  23           HB2      PHE  23   7.965   9.271   1.108
    4    HB3  PHE  23           HB3      PHE  23   6.795   8.478   2.148
    5    HD1  PHE  23           HD1      PHE  23   6.493   9.285   4.258
    6    HD2  PHE  23           HD2      PHE  23  10.192  10.021   2.294
    7    HE1  PHE  23           HE1      PHE  23   7.192  10.718   6.130
    8    HE2  PHE  23           HE2      PHE  23  10.906  11.450   4.167
    9    HZ   PHE  23           HZ       PHE  23   9.403  11.793   6.090

  No H/Q in entry =           9
  In of MODEL    5
    1    H    LEU  24           H        LEU  24   7.267   5.314   2.468
    2    HA   LEU  24           HA       LEU  24   6.819   4.420  -0.277
    3    HB2  LEU  24           HB2      LEU  24   7.220   3.139   2.133
    4    HB3  LEU  24           HB3      LEU  24   5.502   2.926   1.863
    5    HG   LEU  24           HG       LEU  24   7.776   1.976   0.100
    6   HD11  LEU  24          HD11      LEU  24   5.646   0.516   1.663
    7   HD12  LEU  24          HD12      LEU  24   6.831  -0.240   0.597
    8   HD13  LEU  24          HD13      LEU  24   7.363   0.600   2.053
    9   HD21  LEU  24          HD21      LEU  24   4.810   1.828  -0.433
   10   HD22  LEU  24          HD22      LEU  24   6.010   2.723  -1.370
   11   HD23  LEU  24          HD23      LEU  24   6.055   0.957  -1.329

  No H/Q in entry =          11
  In of MODEL    5
    1    H    ASN  25           H        ASN  25   4.695   3.969  -1.038
    2    HA   ASN  25           HA       ASN  25   2.485   5.095   0.492
    3    HB2  ASN  25           HB2      ASN  25   3.331   5.978  -2.256
    4    HB3  ASN  25           HB3      ASN  25   1.643   6.065  -1.774
    5   HD21  ASN  25          HD21      ASN  25   1.012   7.568  -0.242
    6   HD22  ASN  25          HD22      ASN  25   2.042   8.849   0.296

  No H/Q in entry =           6
  In of MODEL    5
    1    H    CYS  26           H        CYS  26   0.918   3.658   0.591
    2    HA   CYS  26           HA       CYS  26   0.566   1.795  -1.657
    3    HB2  CYS  26           HB2      CYS  26   1.445   0.892   0.618
    4    HB3  CYS  26           HB3      CYS  26  -0.220   1.124   1.162

  No H/Q in entry =           4
  In of MODEL    5
    1    H    TYR  27           H        TYR  27  -1.304   2.053  -2.638
    2    HA   TYR  27           HA       TYR  27  -3.432   3.540  -1.245
    3    HB2  TYR  27           HB2      TYR  27  -2.282   3.887  -3.999
    4    HB3  TYR  27           HB3      TYR  27  -3.958   4.302  -3.698
    5    HD1  TYR  27           HD1      TYR  27  -4.517   6.213  -2.232
    6    HD2  TYR  27           HD2      TYR  27  -0.473   5.301  -3.220
    7    HE1  TYR  27           HE1      TYR  27  -3.855   8.501  -1.638
    8    HE2  TYR  27           HE2      TYR  27   0.192   7.577  -2.610
    9    HH   TYR  27           HH       TYR  27  -1.804   9.697  -0.904

  No H/Q in entry =           9
  In of MODEL    5
    1    H    VAL  28           H        VAL  28  -4.854   1.907  -0.844
    2    HA   VAL  28           HA       VAL  28  -5.526   0.149  -3.098
    3    HB   VAL  28           HB       VAL  28  -6.543  -0.303  -0.314
    4   HG11  VAL  28          HG11      VAL  28  -5.931  -2.059  -2.677
    5   HG12  VAL  28          HG12      VAL  28  -6.406  -2.675  -1.090
    6   HG13  VAL  28          HG13      VAL  28  -7.517  -1.662  -2.011
    7   HG21  VAL  28          HG21      VAL  28  -3.836  -1.157  -1.340
    8   HG22  VAL  28          HG22      VAL  28  -4.149  -0.049   0.000
    9   HG23  VAL  28          HG23      VAL  28  -4.597  -1.752   0.139

  No H/Q in entry =           9
  In of MODEL    5
    1    H    SER  29           H        SER  29  -7.389   0.521  -4.161
    2    HA   SER  29           HA       SER  29  -9.526   1.964  -2.798
    3    HB2  SER  29           HB2      SER  29  -9.722   3.457  -4.864
    4    HB3  SER  29           HB3      SER  29  -8.377   3.791  -3.774
    5    HG   SER  29           HG       SER  29  -7.195   2.279  -5.281

  No H/Q in entry =           5
  In of MODEL    5
    1    H    GLY  30           H        GLY  30 -11.521   2.087  -4.212
    2    HA2  GLY  30           HA2      GLY  30 -11.805   0.070  -6.253
    3    HA3  GLY  30           HA3      GLY  30 -13.080   1.096  -5.605

  No H/Q in entry =           3
  In of MODEL    5
    1    H    PHE  31           H        PHE  31 -14.467   0.138  -4.029
    2    HA   PHE  31           HA       PHE  31 -14.449  -2.256  -3.080
    3    HB2  PHE  31           HB2      PHE  31 -13.139  -2.553  -1.108
    4    HB3  PHE  31           HB3      PHE  31 -12.071  -2.063  -2.423
    5    HD1  PHE  31           HD1      PHE  31 -13.755  -0.877   0.656
    6    HD2  PHE  31           HD2      PHE  31 -10.714  -0.189  -2.235
    7    HE1  PHE  31           HE1      PHE  31 -12.740   0.798   2.134
    8    HE2  PHE  31           HE2      PHE  31  -9.700   1.501  -0.766
    9    HZ   PHE  31           HZ       PHE  31 -10.710   1.977   1.425

  No H/Q in entry =           9
  In of MODEL    5
    1    H    HIS  32           H        HIS  32 -15.309  -2.521  -0.743
    2    HA   HIS  32           HA       HIS  32 -16.239  -0.206   0.610
    3    HB2  HIS  32           HB2      HIS  32 -18.307  -1.869  -0.878
    4    HB3  HIS  32           HB3      HIS  32 -18.706  -1.098   0.649
    5    HD2  HIS  32           HD2      HIS  32 -18.474  -0.280  -3.068
    6    HE1  HIS  32           HE1      HIS  32 -19.056   3.356  -0.982
    7    HE2  HIS  32           HE2      HIS  32 -19.179   2.216  -3.245

  No H/Q in entry =           7
  In of MODEL    5
    1    HA   PRO  33           HA       PRO  33 -18.164  -0.181   2.433
    2    HB2  PRO  33           HB2      PRO  33 -17.253  -0.377   5.209
    3    HB3  PRO  33           HB3      PRO  33 -18.895  -0.361   4.566
    4    HG2  PRO  33           HG2      PRO  33 -17.830  -2.578   5.640
    5    HG3  PRO  33           HG3      PRO  33 -18.946  -2.648   4.261
    6    HD2  PRO  33           HD2      PRO  33 -15.951  -2.815   4.278
    7    HD3  PRO  33           HD3      PRO  33 -17.125  -3.821   3.395

  No H/Q in entry =           7
  In of MODEL    5
    1    H    SER  34           H        SER  34 -17.341   1.635   4.327
    2    HA   SER  34           HA       SER  34 -15.187   3.030   3.234
    3    HB2  SER  34           HB2      SER  34 -16.120   3.188   6.104
    4    HB3  SER  34           HB3      SER  34 -15.236   4.437   5.223
    5    HG   SER  34           HG       SER  34 -17.863   3.476   4.695

  No H/Q in entry =           5
  In of MODEL    5
    1    H    ASP  35           H        ASP  35 -14.649   0.108   4.494
    2    HA   ASP  35           HA       ASP  35 -12.069   0.895   5.634
    3    HB2  ASP  35           HB2      ASP  35 -14.038  -1.031   6.860
    4    HB3  ASP  35           HB3      ASP  35 -12.335  -0.996   7.303

  No H/Q in entry =           4
  In of MODEL    5
    1    H    ILE  36           H        ILE  36 -10.399  -0.167   4.864
    2    HA   ILE  36           HA       ILE  36 -10.689  -2.957   4.018
    3    HB   ILE  36           HB       ILE  36 -10.498  -1.389   1.958
    4   HG12  ILE  36          HG12      ILE  36  -8.800  -3.744   2.619
    5   HG13  ILE  36          HG13      ILE  36 -10.111  -3.618   1.467
    6   HG21  ILE  36          HG21      ILE  36  -7.677  -1.191   3.014
    7   HG22  ILE  36          HG22      ILE  36  -8.210  -0.652   1.420
    8   HG23  ILE  36          HG23      ILE  36  -8.824   0.141   2.868
    9   HD11  ILE  36          HD11      ILE  36  -7.358  -2.480   1.096
   10   HD12  ILE  36          HD12      ILE  36  -7.933  -3.995   0.409
   11   HD13  ILE  36          HD13      ILE  36  -8.662  -2.468  -0.089

  No H/Q in entry =          11
  In of MODEL    5
    1    H    GLU  37           H        GLU  37  -8.569  -4.154   4.293
    2    HA   GLU  37           HA       GLU  37  -6.924  -2.770   6.286
    3    HB2  GLU  37           HB2      GLU  37  -8.494  -4.973   6.740
    4    HB3  GLU  37           HB3      GLU  37  -6.969  -5.716   6.277
    5    HG2  GLU  37           HG2      GLU  37  -6.970  -5.541   8.636
    6    HG3  GLU  37           HG3      GLU  37  -5.868  -4.297   8.037

  No H/Q in entry =           6
  In of MODEL    5
    1    H    VAL  38           H        VAL  38  -4.980  -2.370   5.410
    2    HA   VAL  38           HA       VAL  38  -3.821  -4.417   3.677
    3    HB   VAL  38           HB       VAL  38  -4.015  -3.107   1.898
    4   HG11  VAL  38          HG11      VAL  38  -5.750  -1.853   2.995
    5   HG12  VAL  38          HG12      VAL  38  -4.549  -0.768   3.699
    6   HG13  VAL  38          HG13      VAL  38  -4.785  -0.812   1.950
    7   HG21  VAL  38          HG21      VAL  38  -2.043  -1.294   3.295
    8   HG22  VAL  38          HG22      VAL  38  -1.652  -2.673   2.269
    9   HG23  VAL  38          HG23      VAL  38  -2.427  -1.246   1.570

  No H/Q in entry =           9
  In of MODEL    5
    1    H    ASP  39           H        ASP  39  -1.828  -4.880   3.961
    2    HA   ASP  39           HA       ASP  39  -0.312  -3.476   6.077
    3    HB2  ASP  39           HB2      ASP  39  -0.606  -6.455   5.655
    4    HB3  ASP  39           HB3      ASP  39   0.563  -5.749   6.754

  No H/Q in entry =           4
  In of MODEL    5
    1    H    LEU  40           H        LEU  40   1.957  -3.355   5.769
    2    HA   LEU  40           HA       LEU  40   2.745  -3.795   2.987
    3    HB2  LEU  40           HB2      LEU  40   4.227  -2.235   5.090
    4    HB3  LEU  40           HB3      LEU  40   4.494  -2.205   3.358
    5    HG   LEU  40           HG       LEU  40   2.114  -1.078   4.822
    6   HD11  LEU  40          HD11      LEU  40   4.406   0.248   3.371
    7   HD12  LEU  40          HD12      LEU  40   3.005   1.082   4.050
    8   HD13  LEU  40          HD13      LEU  40   4.133   0.240   5.114
    9   HD21  LEU  40          HD21      LEU  40   2.741  -1.185   1.887
   10   HD22  LEU  40          HD22      LEU  40   1.340  -1.870   2.717
   11   HD23  LEU  40          HD23      LEU  40   1.536  -0.115   2.605

  No H/Q in entry =          11
  In of MODEL    5
    1    H    LEU  41           H        LEU  41   4.583  -4.931   2.460
    2    HA   LEU  41           HA       LEU  41   5.646  -6.643   4.595
    3    HB2  LEU  41           HB2      LEU  41   5.791  -7.355   1.710
    4    HB3  LEU  41           HB3      LEU  41   5.897  -8.389   3.100
    5    HG   LEU  41           HG       LEU  41   3.361  -7.025   2.225
    6   HD11  LEU  41          HD11      LEU  41   4.131  -8.645   0.565
    7   HD12  LEU  41          HD12      LEU  41   4.296  -9.866   1.826
    8   HD13  LEU  41          HD13      LEU  41   2.704  -9.237   1.407
    9   HD21  LEU  41          HD21      LEU  41   3.488  -7.530   4.610
   10   HD22  LEU  41          HD22      LEU  41   2.326  -8.583   3.795
   11   HD23  LEU  41          HD23      LEU  41   3.919  -9.198   4.234

  No H/Q in entry =          11
  In of MODEL    5
    1    H    LYS  42           H        LYS  42   7.631  -7.761   3.756
    2    HA   LYS  42           HA       LYS  42   9.572  -6.123   2.416
    3    HB2  LYS  42           HB2      LYS  42  10.097  -6.996   5.253
    4    HB3  LYS  42           HB3      LYS  42  11.268  -6.252   4.175
    5    HG2  LYS  42           HG2      LYS  42   9.574  -4.285   4.019
    6    HG3  LYS  42           HG3      LYS  42   8.836  -5.036   5.396
    7    HD2  LYS  42           HD2      LYS  42  11.778  -4.287   5.425
    8    HD3  LYS  42           HD3      LYS  42  10.491  -3.180   5.925
    9    HE2  LYS  42           HE2      LYS  42  11.047  -4.087   7.940
   10    HE3  LYS  42           HE3      LYS  42   9.794  -5.221   7.440
   11    HZ1  LYS  42           HZ1      LYS  42  12.697  -5.662   6.999
   12    HZ2  LYS  42           HZ2      LYS  42  11.830  -6.284   8.319
   13    HZ3  LYS  42           HZ3      LYS  42  11.449  -6.774   6.744

  No H/Q in entry =          13
  In of MODEL    5
    1    H    ASN  43           H        ASN  43   9.932  -7.574   0.966
    2    HA   ASN  43           HA       ASN  43  10.672  -9.441  -0.100
    3    HB2  ASN  43           HB2      ASN  43  11.742 -10.205   2.632
    4    HB3  ASN  43           HB3      ASN  43  12.143 -11.046   1.139
    5   HD21  ASN  43          HD21      ASN  43  12.697  -8.294   3.117
    6   HD22  ASN  43          HD22      ASN  43  13.978  -7.594   2.184

  No H/Q in entry =           6
  In of MODEL    5
    1    H    GLY  44           H        GLY  44   8.634  -9.706   2.622
    2    HA2  GLY  44           HA2      GLY  44   7.832 -12.449   2.086
    3    HA3  GLY  44           HA3      GLY  44   6.641 -11.205   1.673

  No H/Q in entry =           3
  In of MODEL    5
    1    H    GLU  45           H        GLU  45   8.417 -10.050   4.176
    2    HA   GLU  45           HA       GLU  45   6.812 -11.301   6.285
    3    HB2  GLU  45           HB2      GLU  45   8.521 -10.665   7.781
    4    HB3  GLU  45           HB3      GLU  45   9.354 -11.174   6.322
    5    HG2  GLU  45           HG2      GLU  45   9.601  -8.860   5.633
    6    HG3  GLU  45           HG3      GLU  45   8.810  -8.337   7.116

  No H/Q in entry =           6
  In of MODEL    5
    1    H    ARG  46           H        ARG  46   5.753  -9.952   7.818
    2    HA   ARG  46           HA       ARG  46   4.636  -7.598   6.712
    3    HB2  ARG  46           HB2      ARG  46   4.355  -9.071   9.222
    4    HB3  ARG  46           HB3      ARG  46   3.996  -7.382   9.393
    5    HG2  ARG  46           HG2      ARG  46   2.473  -8.045   7.271
    6    HG3  ARG  46           HG3      ARG  46   2.571  -9.614   8.064
    7    HD2  ARG  46           HD2      ARG  46   1.563  -8.824  10.040
    8    HD3  ARG  46           HD3      ARG  46   1.791  -7.141   9.592
    9    HE   ARG  46           HE       ARG  46   0.005  -7.319   8.061
   10   HH11  ARG  46          HH11      ARG  46   0.456 -10.214   9.986
   11   HH12  ARG  46          HH12      ARG  46  -1.179 -10.767   9.753
   12   HH21  ARG  46          HH21      ARG  46  -2.147  -8.012   7.798
   13   HH22  ARG  46          HH22      ARG  46  -2.661  -9.511   8.536

  No H/Q in entry =          13
  In of MODEL    5
    1    H    ILE  47           H        ILE  47   4.862  -5.457   7.234
    2    HA   ILE  47           HA       ILE  47   7.198  -4.672   8.824
    3    HB   ILE  47           HB       ILE  47   5.344  -2.928   7.183
    4   HG12  ILE  47          HG12      ILE  47   8.107  -3.886   6.476
    5   HG13  ILE  47          HG13      ILE  47   6.620  -4.537   5.772
    6   HG21  ILE  47          HG21      ILE  47   8.026  -2.360   8.447
    7   HG22  ILE  47          HG22      ILE  47   7.152  -1.256   7.386
    8   HG23  ILE  47          HG23      ILE  47   6.466  -1.706   8.948
    9   HD11  ILE  47          HD11      ILE  47   6.191  -2.015   5.186
   10   HD12  ILE  47          HD12      ILE  47   7.934  -1.893   5.350
   11   HD13  ILE  47          HD13      ILE  47   7.231  -3.002   4.165

  No H/Q in entry =          11
  In of MODEL    5
    1    H    GLU  48           H        GLU  48   6.930  -3.522  10.720
    2    HA   GLU  48           HA       GLU  48   4.144  -3.321  11.627
    3    HB2  GLU  48           HB2      GLU  48   5.323  -3.125  13.942
    4    HB3  GLU  48           HB3      GLU  48   5.113  -4.688  13.198
    5    HG2  GLU  48           HG2      GLU  48   7.246  -4.714  14.022
    6    HG3  GLU  48           HG3      GLU  48   7.467  -4.308  12.335

  No H/Q in entry =           6
  In of MODEL    5
    1    H    LYS  49           H        LYS  49   7.114  -1.460  11.308
    2    HA   LYS  49           HA       LYS  49   6.257   0.905  12.457
    3    HB2  LYS  49           HB2      LYS  49   8.123   0.546  10.115
    4    HB3  LYS  49           HB3      LYS  49   8.071   1.925  11.209
    5    HG2  LYS  49           HG2      LYS  49   8.401  -0.625  12.577
    6    HG3  LYS  49           HG3      LYS  49   9.707  -0.249  11.448
    7    HD2  LYS  49           HD2      LYS  49  10.337   1.639  12.620
    8    HD3  LYS  49           HD3      LYS  49   8.738   1.851  13.326
    9    HE2  LYS  49           HE2      LYS  49  10.511  -0.467  14.062
   10    HE3  LYS  49           HE3      LYS  49  10.606   1.090  14.887
   11    HZ1  LYS  49           HZ1      LYS  49   8.187   0.848  15.346
   12    HZ2  LYS  49           HZ2      LYS  49   8.270  -0.732  14.736
   13    HZ3  LYS  49           HZ3      LYS  49   9.162  -0.308  16.116

  No H/Q in entry =          13
  In of MODEL    5
    1    H    VAL  50           H        VAL  50   4.709  -0.527   9.968
    2    HA   VAL  50           HA       VAL  50   4.130   1.598   8.207
    3    HB   VAL  50           HB       VAL  50   2.342  -0.720   8.962
    4   HG11  VAL  50          HG11      VAL  50   1.159   1.087   7.805
    5   HG12  VAL  50          HG12      VAL  50   2.352   1.031   6.506
    6   HG13  VAL  50          HG13      VAL  50   1.294  -0.352   6.788
    7   HG21  VAL  50          HG21      VAL  50   4.541  -1.459   8.201
    8   HG22  VAL  50          HG22      VAL  50   3.289  -1.849   7.027
    9   HG23  VAL  50          HG23      VAL  50   4.364  -0.484   6.742

  No H/Q in entry =           9
  In of MODEL    5
    1    H    GLU  51           H        GLU  51   2.602   3.175   8.228
    2    HA   GLU  51           HA       GLU  51   0.722   3.233  10.475
    3    HB2  GLU  51           HB2      GLU  51   2.297   5.614   9.474
    4    HB3  GLU  51           HB3      GLU  51   1.044   5.648  10.711
    5    HG2  GLU  51           HG2      GLU  51   2.416   4.251  12.156
    6    HG3  GLU  51           HG3      GLU  51   3.673   4.201  10.917

  No H/Q in entry =           6
  In of MODEL    5
    1    H    HIS  52           H        HIS  52  -1.232   4.066  10.028
    2    HA   HIS  52           HA       HIS  52  -1.727   4.967   7.275
    3    HB2  HIS  52           HB2      HIS  52  -4.137   4.418   7.705
    4    HB3  HIS  52           HB3      HIS  52  -3.064   3.029   7.670
    5    HD2  HIS  52           HD2      HIS  52  -2.523   1.934  10.308
    6    HE1  HIS  52           HE1      HIS  52  -6.018   3.676  11.934
    7    HE2  HIS  52           HE2      HIS  52  -4.267   1.865  12.224

  No H/Q in entry =           7
  In of MODEL    5
    1    H    SER  53           H        SER  53  -2.284   7.012   6.973
    2    HA   SER  53           HA       SER  53  -2.387   8.783   9.248
    3    HB2  SER  53           HB2      SER  53  -1.180   9.299   7.090
    4    HB3  SER  53           HB3      SER  53  -2.757   9.473   6.322
    5    HG   SER  53           HG       SER  53  -1.513  11.086   8.273

  No H/Q in entry =           5
  In of MODEL    5
    1    H    ASP  54           H        ASP  54  -4.114  10.764   8.357
    2    HA   ASP  54           HA       ASP  54  -6.590   9.971   9.362
    3    HB2  ASP  54           HB2      ASP  54  -5.731  12.335   9.105
    4    HB3  ASP  54           HB3      ASP  54  -6.134  12.223   7.395

  No H/Q in entry =           4
  In of MODEL    5
    1    H    LEU  55           H        LEU  55  -8.157   8.825   8.534
    2    HA   LEU  55           HA       LEU  55  -8.049   7.196   6.409
    3    HB2  LEU  55           HB2      LEU  55  -9.846   7.423   8.261
    4    HB3  LEU  55           HB3      LEU  55 -10.692   8.442   7.119
    5    HG   LEU  55           HG       LEU  55 -11.474   6.057   7.229
    6   HD11  LEU  55          HD11      LEU  55 -11.969   7.436   5.286
    7   HD12  LEU  55          HD12      LEU  55 -10.438   6.966   4.553
    8   HD13  LEU  55          HD13      LEU  55 -11.691   5.758   4.825
    9   HD21  LEU  55          HD21      LEU  55  -8.819   5.519   5.918
   10   HD22  LEU  55          HD22      LEU  55  -9.328   4.977   7.517
   11   HD23  LEU  55          HD23      LEU  55 -10.141   4.364   6.076

  No H/Q in entry =          11
  In of MODEL    5
    1    H    SER  56           H        SER  56 -10.611   9.512   5.940
    2    HA   SER  56           HA       SER  56  -9.603  11.280   4.111
    3    HB2  SER  56           HB2      SER  56 -10.445   8.699   2.824
    4    HB3  SER  56           HB3      SER  56 -10.787  10.218   2.001
    5    HG   SER  56           HG       SER  56  -8.234   9.338   2.886

  No H/Q in entry =           5
  In of MODEL    5
    1    H    PHE  57           H        PHE  57 -11.396  12.298   2.797
    2    HA   PHE  57           HA       PHE  57 -14.066  11.393   3.587
    3    HB2  PHE  57           HB2      PHE  57 -13.549  13.412   4.950
    4    HB3  PHE  57           HB3      PHE  57 -13.301  14.327   3.462
    5    HD1  PHE  57           HD1      PHE  57 -15.094  15.356   2.403
    6    HD2  PHE  57           HD2      PHE  57 -15.833  12.339   5.304
    7    HE1  PHE  57           HE1      PHE  57 -17.499  15.861   2.310
    8    HE2  PHE  57           HE2      PHE  57 -18.243  12.836   5.215
    9    HZ   PHE  57           HZ       PHE  57 -19.075  14.598   3.715

  No H/Q in entry =           9
  In of MODEL    5
    1    H    SER  58           H        SER  58 -15.004  10.737   1.799
    2    HA   SER  58           HA       SER  58 -14.266  12.017  -0.731
    3    HB2  SER  58           HB2      SER  58 -14.014   9.511  -0.449
    4    HB3  SER  58           HB3      SER  58 -15.772   9.420  -0.349
    5    HG   SER  58           HG       SER  58 -14.826   9.079  -2.478

  No H/Q in entry =           5
  In of MODEL    5
    1    H    LYS  59           H        LYS  59 -15.643  13.243  -1.753
    2    HA   LYS  59           HA       LYS  59 -18.114  13.955  -0.528
    3    HB2  LYS  59           HB2      LYS  59 -16.930  14.770  -3.181
    4    HB3  LYS  59           HB3      LYS  59 -18.333  15.520  -2.433
    5    HG2  LYS  59           HG2      LYS  59 -15.597  15.431  -1.177
    6    HG3  LYS  59           HG3      LYS  59 -16.214  16.780  -2.134
    7    HD2  LYS  59           HD2      LYS  59 -17.472  15.710   0.390
    8    HD3  LYS  59           HD3      LYS  59 -16.465  17.156   0.285
    9    HE2  LYS  59           HE2      LYS  59 -19.109  16.711  -1.098
   10    HE3  LYS  59           HE3      LYS  59 -18.826  17.745   0.301
   11    HZ1  LYS  59           HZ1      LYS  59 -17.589  18.131  -2.373
   12    HZ2  LYS  59           HZ2      LYS  59 -18.922  18.996  -1.788
   13    HZ3  LYS  59           HZ3      LYS  59 -17.414  19.150  -1.028

  No H/Q in entry =          13
  In of MODEL    5
    1    H    ASP  60           H        ASP  60 -17.305  12.035  -3.402
    2    HA   ASP  60           HA       ASP  60 -20.155  11.392  -3.633
    3    HB2  ASP  60           HB2      ASP  60 -19.716  13.089  -5.309
    4    HB3  ASP  60           HB3      ASP  60 -18.329  12.186  -5.908

  No H/Q in entry =           4
  In of MODEL    5
    1    H    TRP  61           H        TRP  61 -16.845  10.489  -4.485
    2    HA   TRP  61           HA       TRP  61 -17.722   7.933  -5.518
    3    HB2  TRP  61           HB2      TRP  61 -14.942   9.080  -5.212
    4    HB3  TRP  61           HB3      TRP  61 -15.338   7.583  -6.049
    5    HD1  TRP  61           HD1      TRP  61 -16.599   7.803  -8.418
    6    HE1  TRP  61           HE1      TRP  61 -16.703   9.739 -10.108
    7    HE3  TRP  61           HE3      TRP  61 -14.992  11.600  -5.401
    8    HZ2  TRP  61           HZ2      TRP  61 -16.180  12.504 -10.160
    9    HZ3  TRP  61           HZ3      TRP  61 -14.815  13.864  -6.335
   10    HH2  TRP  61           HH2      TRP  61 -15.404  14.311  -8.700

  No H/Q in entry =          10
  In of MODEL    5
    1    H    SER  62           H        SER  62 -15.691   6.253  -4.854
    2    HA   SER  62           HA       SER  62 -16.418   5.309  -2.299
    3    HB2  SER  62           HB2      SER  62 -14.116   4.619  -4.152
    4    HB3  SER  62           HB3      SER  62 -14.461   3.718  -2.668
    5    HG   SER  62           HG       SER  62 -16.485   3.178  -3.532

  No H/Q in entry =           5
  In of MODEL    5
    1    H    PHE  63           H        PHE  63 -15.017   5.041  -0.451
    2    HA   PHE  63           HA       PHE  63 -13.575   7.462   0.164
    3    HB2  PHE  63           HB2      PHE  63 -13.853   4.984   1.888
    4    HB3  PHE  63           HB3      PHE  63 -13.475   6.615   2.421
    5    HD1  PHE  63           HD1      PHE  63 -15.202   8.152   2.970
    6    HD2  PHE  63           HD2      PHE  63 -16.159   4.467   1.050
    7    HE1  PHE  63           HE1      PHE  63 -17.599   8.531   3.436
    8    HE2  PHE  63           HE2      PHE  63 -18.550   4.849   1.506
    9    HZ   PHE  63           HZ       PHE  63 -19.265   6.881   2.694

  No H/Q in entry =           9
  In of MODEL    5
    1    H    TYR  64           H        TYR  64 -11.402   7.510   0.927
    2    HA   TYR  64           HA       TYR  64  -9.754   5.516  -0.470
    3    HB2  TYR  64           HB2      TYR  64  -8.956   8.357   0.193
    4    HB3  TYR  64           HB3      TYR  64  -8.177   7.261  -0.944
    5    HD1  TYR  64           HD1      TYR  64  -9.550   6.546  -3.009
    6    HD2  TYR  64           HD2      TYR  64 -10.563   9.871  -0.560
    7    HE1  TYR  64           HE1      TYR  64 -10.930   7.461  -4.828
    8    HE2  TYR  64           HE2      TYR  64 -11.938  10.796  -2.374
    9    HH   TYR  64           HH       TYR  64 -12.838   8.993  -5.098

  No H/Q in entry =           9
  In of MODEL    5
    1    H    LEU  65           H        LEU  65  -7.897   4.719   0.573
    2    HA   LEU  65           HA       LEU  65  -7.362   5.634   3.291
    3    HB2  LEU  65           HB2      LEU  65  -8.897   3.922   3.754
    4    HB3  LEU  65           HB3      LEU  65  -8.238   2.868   2.521
    5    HG   LEU  65           HG       LEU  65  -6.513   3.529   4.878
    6   HD11  LEU  65          HD11      LEU  65  -8.893   2.985   5.637
    7   HD12  LEU  65          HD12      LEU  65  -8.598   1.372   4.988
    8   HD13  LEU  65          HD13      LEU  65  -7.590   1.998   6.292
    9   HD21  LEU  65          HD21      LEU  65  -6.996   1.064   3.206
   10   HD22  LEU  65          HD22      LEU  65  -5.633   2.173   3.056
   11   HD23  LEU  65          HD23      LEU  65  -5.821   1.199   4.514

  No H/Q in entry =          11
  In of MODEL    5
    1    H    LEU  66           H        LEU  66  -5.289   5.611   3.843
    2    HA   LEU  66           HA       LEU  66  -3.418   4.658   1.782
    3    HB2  LEU  66           HB2      LEU  66  -3.915   7.218   2.324
    4    HB3  LEU  66           HB3      LEU  66  -2.741   6.926   3.574
    5    HG   LEU  66           HG       LEU  66  -2.247   6.548   0.634
    6   HD11  LEU  66          HD11      LEU  66  -2.497   8.902   1.236
    7   HD12  LEU  66          HD12      LEU  66  -1.307   8.705   2.522
    8   HD13  LEU  66          HD13      LEU  66  -0.819   8.529   0.837
    9   HD21  LEU  66          HD21      LEU  66  -0.407   6.299   2.998
   10   HD22  LEU  66          HD22      LEU  66  -0.882   5.023   1.882
   11   HD23  LEU  66          HD23      LEU  66   0.128   6.358   1.324

  No H/Q in entry =          11
  In of MODEL    5
    1    H    TYR  67           H        TYR  67  -1.839   3.342   2.430
    2    HA   TYR  67           HA       TYR  67  -1.081   3.268   5.277
    3    HB2  TYR  67           HB2      TYR  67  -1.678   1.058   3.390
    4    HB3  TYR  67           HB3      TYR  67  -0.322   0.834   4.486
    5    HD1  TYR  67           HD1      TYR  67  -0.689   0.773   6.928
    6    HD2  TYR  67           HD2      TYR  67  -3.947   0.977   4.188
    7    HE1  TYR  67           HE1      TYR  67  -2.220  -0.012   8.684
    8    HE2  TYR  67           HE2      TYR  67  -5.458   0.178   5.926
    9    HH   TYR  67           HH       TYR  67  -4.585   0.031   9.220

  No H/Q in entry =           9
  In of MODEL    5
    1    H    TYR  68           H        TYR  68   0.948   3.893   5.611
    2    HA   TYR  68           HA       TYR  68   2.920   3.438   3.490
    3    HB2  TYR  68           HB2      TYR  68   3.717   5.762   3.570
    4    HB3  TYR  68           HB3      TYR  68   2.033   5.689   3.050
    5    HD1  TYR  68           HD1      TYR  68   4.344   6.818   5.634
    6    HD2  TYR  68           HD2      TYR  68   0.247   6.522   4.527
    7    HE1  TYR  68           HE1      TYR  68   3.767   8.484   7.346
    8    HE2  TYR  68           HE2      TYR  68  -0.342   8.195   6.232
    9    HH   TYR  68           HH       TYR  68   0.662   9.027   8.421

  No H/Q in entry =           9
  In of MODEL    5
    1    H    THR  69           H        THR  69   5.138   3.884   4.154
    2    HA   THR  69           HA       THR  69   5.657   4.098   7.003
    3    HB   THR  69           HB       THR  69   5.276   1.655   6.652
    4    HG1  THR  69           HG1      THR  69   6.653   2.176   8.306
    5   HG21  THR  69          HG21      THR  69   7.622   1.939   4.771
    6   HG22  THR  69          HG22      THR  69   7.109   0.398   5.458
    7   HG23  THR  69          HG23      THR  69   6.014   1.302   4.410

  No H/Q in entry =           7
  In of MODEL    5
    1    H    GLU  70           H        GLU  70   7.783   4.682   7.471
    2    HA   GLU  70           HA       GLU  70   9.286   5.802   5.250
    3    HB2  GLU  70           HB2      GLU  70   8.923   7.054   7.403
    4    HB3  GLU  70           HB3      GLU  70   9.900   5.845   8.219
    5    HG2  GLU  70           HG2      GLU  70  11.798   6.468   6.740
    6    HG3  GLU  70           HG3      GLU  70  10.801   7.769   6.092

  No H/Q in entry =           6
  In of MODEL    5
    1    H    PHE  71           H        PHE  71  11.163   4.951   4.449
    2    HA   PHE  71           HA       PHE  71  12.348   2.651   5.755
    3    HB2  PHE  71           HB2      PHE  71  12.060   1.128   3.881
    4    HB3  PHE  71           HB3      PHE  71  10.491   1.652   4.473
    5    HD1  PHE  71           HD1      PHE  71  10.815   4.439   2.962
    6    HD2  PHE  71           HD2      PHE  71  11.086   0.351   1.833
    7    HE1  PHE  71           HE1      PHE  71  10.169   5.032   0.664
    8    HE2  PHE  71           HE2      PHE  71  10.439   0.926  -0.465
    9    HZ   PHE  71           HZ       PHE  71   9.994   3.281  -1.068

  No H/Q in entry =           9
  In of MODEL    5
    1    H    THR  72           H        THR  72  14.368   1.978   4.710
    2    HA   THR  72           HA       THR  72  15.513   4.069   2.989
    3    HB   THR  72           HB       THR  72  17.051   2.174   4.777
    4    HG1  THR  72           HG1      THR  72  16.111   4.823   5.265
    5   HG21  THR  72          HG21      THR  72  18.344   3.137   2.924
    6   HG22  THR  72          HG22      THR  72  17.857   4.760   3.415
    7   HG23  THR  72          HG23      THR  72  18.882   3.786   4.472

  No H/Q in entry =           7
  In of MODEL    5
    1    HA   PRO  73           HA       PRO  73  14.902   0.338   0.264
    2    HB2  PRO  73           HB2      PRO  73  15.537   1.958  -1.962
    3    HB3  PRO  73           HB3      PRO  73  13.912   1.517  -1.404
    4    HG2  PRO  73           HG2      PRO  73  15.491   4.000  -0.923
    5    HG3  PRO  73           HG3      PRO  73  13.738   3.811  -1.142
    6    HD2  PRO  73           HD2      PRO  73  14.786   4.249   1.277
    7    HD3  PRO  73           HD3      PRO  73  13.418   3.126   1.061

  No H/Q in entry =           7
  In of MODEL    5
    1    H    THR  74           H        THR  74  16.341  -0.960  -0.727
    2    HA   THR  74           HA       THR  74  19.048  -0.005  -1.202
    3    HB   THR  74           HB       THR  74  20.049  -1.953  -0.135
    4    HG1  THR  74           HG1      THR  74  18.730  -3.392   1.065
    5   HG21  THR  74          HG21      THR  74  18.126  -0.536   1.710
    6   HG22  THR  74          HG22      THR  74  19.515  -1.488   2.232
    7   HG23  THR  74          HG23      THR  74  19.760  -0.011   1.297

  No H/Q in entry =           7
  In of MODEL    5
    1    H    GLU  75           H        GLU  75  20.302  -1.745  -2.434
    2    HA   GLU  75           HA       GLU  75  18.948  -2.651  -4.710
    3    HB2  GLU  75           HB2      GLU  75  21.488  -2.276  -4.196
    4    HB3  GLU  75           HB3      GLU  75  21.455  -3.945  -3.672
    5    HG2  GLU  75           HG2      GLU  75  20.813  -2.920  -6.422
    6    HG3  GLU  75           HG3      GLU  75  22.275  -3.766  -5.927

  No H/Q in entry =           6
  In of MODEL    5
    1    H    LYS  76           H        LYS  76  19.890  -4.311  -1.750
    2    HA   LYS  76           HA       LYS  76  19.183  -6.871  -2.864
    3    HB2  LYS  76           HB2      LYS  76  20.562  -6.013  -0.343
    4    HB3  LYS  76           HB3      LYS  76  20.163  -7.693  -0.675
    5    HG2  LYS  76           HG2      LYS  76  21.818  -7.925  -2.195
    6    HG3  LYS  76           HG3      LYS  76  21.582  -6.303  -2.843
    7    HD2  LYS  76           HD2      LYS  76  22.759  -5.349  -0.951
    8    HD3  LYS  76           HD3      LYS  76  22.969  -6.960  -0.253
    9    HE2  LYS  76           HE2      LYS  76  24.283  -7.633  -2.203
   10    HE3  LYS  76           HE3      LYS  76  24.059  -6.031  -2.913
   11    HZ1  LYS  76           HZ1      LYS  76  25.351  -6.439  -0.273
   12    HZ2  LYS  76           HZ2      LYS  76  26.225  -6.437  -1.724
   13    HZ3  LYS  76           HZ3      LYS  76  25.374  -5.053  -1.250

  No H/Q in entry =          13
  In of MODEL    5
    1    H    ASP  77           H        ASP  77  17.752  -4.620  -0.597
    2    HA   ASP  77           HA       ASP  77  16.038  -6.782   0.422
    3    HB2  ASP  77           HB2      ASP  77  17.088  -4.691   1.794
    4    HB3  ASP  77           HB3      ASP  77  15.505  -4.034   1.367

  No H/Q in entry =           4
  In of MODEL    5
    1    H    GLU  78           H        GLU  78  13.613  -5.979   0.734
    2    HA   GLU  78           HA       GLU  78  12.627  -4.587  -1.590
    3    HB2  GLU  78           HB2      GLU  78  13.076  -6.671  -2.685
    4    HB3  GLU  78           HB3      GLU  78  12.454  -7.593  -1.332
    5    HG2  GLU  78           HG2      GLU  78  10.461  -5.855  -2.646
    6    HG3  GLU  78           HG3      GLU  78  11.108  -7.167  -3.637

  No H/Q in entry =           6
  In of MODEL    5
    1    H    TYR  79           H        TYR  79  10.389  -4.109  -1.427
    2    HA   TYR  79           HA       TYR  79   9.084  -5.055   1.000
    3    HB2  TYR  79           HB2      TYR  79   8.618  -2.222   0.098
    4    HB3  TYR  79           HB3      TYR  79   8.371  -2.944   1.691
    5    HD1  TYR  79           HD1      TYR  79   9.823  -2.379   3.369
    6    HD2  TYR  79           HD2      TYR  79  11.204  -2.170  -0.650
    7    HE1  TYR  79           HE1      TYR  79  11.956  -1.431   4.155
    8    HE2  TYR  79           HE2      TYR  79  13.341  -1.247   0.126
    9    HH   TYR  79           HH       TYR  79  14.301  -1.272   3.367

  No H/Q in entry =           9
  In of MODEL    5
    1    H    ALA  80           H        ALA  80   6.796  -4.999   0.967
    2    HA   ALA  80           HA       ALA  80   5.645  -5.017  -1.753
    3    HB1  ALA  80           HB1      ALA  80   6.449  -7.317  -1.006
    4    HB2  ALA  80           HB2      ALA  80   4.786  -7.186  -1.583
    5    HB3  ALA  80           HB3      ALA  80   5.115  -7.274   0.145

  No H/Q in entry =           5
  In of MODEL    5
    1    H    CYS  81           H        CYS  81   3.214  -5.151  -1.755
    2    HA   CYS  81           HA       CYS  81   2.067  -4.019   0.709
    3    HB2  CYS  81           HB2      CYS  81   1.719  -3.370  -2.174
    4    HB3  CYS  81           HB3      CYS  81   0.265  -3.341  -1.181

  No H/Q in entry =           4
  In of MODEL    5
    1    H    ARG  82           H        ARG  82   0.481  -5.224   1.637
    2    HA   ARG  82           HA       ARG  82  -0.815  -7.337   0.013
    3    HB2  ARG  82           HB2      ARG  82   0.794  -8.020   1.930
    4    HB3  ARG  82           HB3      ARG  82  -0.487  -7.442   2.988
    5    HG2  ARG  82           HG2      ARG  82  -2.038  -9.062   1.899
    6    HG3  ARG  82           HG3      ARG  82  -0.640  -9.714   1.033
    7    HD2  ARG  82           HD2      ARG  82  -0.700  -9.479   4.036
    8    HD3  ARG  82           HD3      ARG  82  -1.286 -10.907   3.201
    9    HE   ARG  82           HE       ARG  82   1.304 -10.354   2.293
   10   HH11  ARG  82          HH11      ARG  82  -0.347 -11.414   5.194
   11   HH12  ARG  82          HH12      ARG  82   0.980 -12.368   5.764
   12   HH21  ARG  82          HH21      ARG  82   3.072 -11.639   3.045
   13   HH22  ARG  82          HH22      ARG  82   2.921 -12.474   4.568

  No H/Q in entry =          13
  In of MODEL    5
    1    H    VAL  83           H        VAL  83  -3.018  -7.304  -0.005
    2    HA   VAL  83           HA       VAL  83  -4.350  -5.701   2.083
    3    HB   VAL  83           HB       VAL  83  -5.785  -4.593   0.681
    4   HG11  VAL  83          HG11      VAL  83  -3.279  -4.897  -0.922
    5   HG12  VAL  83          HG12      VAL  83  -4.477  -3.617  -1.117
    6   HG13  VAL  83          HG13      VAL  83  -3.573  -3.756   0.390
    7   HG21  VAL  83          HG21      VAL  83  -6.586  -6.565  -0.546
    8   HG22  VAL  83          HG22      VAL  83  -6.322  -5.174  -1.599
    9   HG23  VAL  83          HG23      VAL  83  -5.150  -6.491  -1.571

  No H/Q in entry =           9
  In of MODEL    5
    1    H    ASN  84           H        ASN  84  -6.156  -6.451   2.885
    2    HA   ASN  84           HA       ASN  84  -7.084  -9.088   1.962
    3    HB2  ASN  84           HB2      ASN  84  -7.369  -7.937   4.757
    4    HB3  ASN  84           HB3      ASN  84  -7.695  -9.588   4.259
    5   HD21  ASN  84          HD21      ASN  84  -5.184  -7.243   4.919
    6   HD22  ASN  84          HD22      ASN  84  -3.904  -8.393   5.092

  No H/Q in entry =           6
  In of MODEL    5
    1    H    HIS  85           H        HIS  85  -9.188  -9.109   1.121
    2    HA   HIS  85           HA       HIS  85 -11.119  -7.384   2.422
    3    HB2  HIS  85           HB2      HIS  85  -9.918  -6.101   0.517
    4    HB3  HIS  85           HB3      HIS  85 -10.789  -7.185  -0.561
    5    HD2  HIS  85           HD2      HIS  85 -11.683  -4.473   2.163
    6    HE1  HIS  85           HE1      HIS  85 -14.834  -4.872  -0.633
    7    HE2  HIS  85           HE2      HIS  85 -14.081  -3.734   1.498

  No H/Q in entry =           7
  In of MODEL    5
    1    H    VAL  86           H        VAL  86 -13.246  -8.076   1.992
    2    HA   VAL  86           HA       VAL  86 -13.618 -10.660   0.992
    3    HB   VAL  86           HB       VAL  86 -15.486  -8.505   1.863
    4   HG11  VAL  86          HG11      VAL  86 -16.305  -9.677  -0.213
    5   HG12  VAL  86          HG12      VAL  86 -16.395 -11.151   0.760
    6   HG13  VAL  86          HG13      VAL  86 -17.381  -9.753   1.192
    7   HG21  VAL  86          HG21      VAL  86 -15.018 -11.324   2.816
    8   HG22  VAL  86          HG22      VAL  86 -14.447  -9.853   3.599
    9   HG23  VAL  86          HG23      VAL  86 -16.175 -10.191   3.512

  No H/Q in entry =           9
  In of MODEL    5
    1    H    THR  87           H        THR  87 -13.156 -10.874  -0.951
    2    HA   THR  87           HA       THR  87 -14.587 -10.361  -3.138
    3    HB   THR  87           HB       THR  87 -12.900  -8.747  -4.334
    4    HG1  THR  87           HG1      THR  87 -12.948  -7.418  -1.837
    5   HG21  THR  87          HG21      THR  87 -15.290  -8.051  -2.741
    6   HG22  THR  87          HG22      THR  87 -14.420  -6.777  -3.598
    7   HG23  THR  87          HG23      THR  87 -15.103  -8.142  -4.488

  No H/Q in entry =           7
  In of MODEL    5
    1    H    LEU  88           H        LEU  88 -11.295 -10.025  -2.063
    2    HA   LEU  88           HA       LEU  88 -10.207 -11.397  -4.347
    3    HB2  LEU  88           HB2      LEU  88  -8.943 -10.562  -1.717
    4    HB3  LEU  88           HB3      LEU  88  -8.055 -11.285  -3.042
    5    HG   LEU  88           HG       LEU  88  -9.440  -8.598  -3.047
    6   HD11  LEU  88          HD11      LEU  88  -7.275  -8.614  -1.883
    7   HD12  LEU  88          HD12      LEU  88  -6.510  -9.329  -3.317
    8   HD13  LEU  88          HD13      LEU  88  -7.192  -7.697  -3.398
    9   HD21  LEU  88          HD21      LEU  88  -9.730  -9.696  -5.201
   10   HD22  LEU  88          HD22      LEU  88  -8.601  -8.346  -5.326
   11   HD23  LEU  88          HD23      LEU  88  -7.994 -10.001  -5.290

  No H/Q in entry =          11
  In of MODEL    5
    1    H    SER  89           H        SER  89 -10.015 -13.573  -4.546
    2    HA   SER  89           HA       SER  89 -11.095 -15.394  -2.724
    3    HB2  SER  89           HB2      SER  89  -9.771 -17.096  -4.117
    4    HB3  SER  89           HB3      SER  89 -10.922 -16.080  -4.984
    5    HG   SER  89           HG       SER  89  -8.254 -16.297  -5.320

  No H/Q in entry =           5
  In of MODEL    5
    1    H    GLN  90           H        GLN  90  -8.012 -13.967  -2.957
    2    HA   GLN  90           HA       GLN  90  -7.325 -14.846  -0.313
    3    HB2  GLN  90           HB2      GLN  90  -4.958 -15.582  -1.179
    4    HB3  GLN  90           HB3      GLN  90  -6.256 -16.752  -1.414
    5    HG2  GLN  90           HG2      GLN  90  -5.168 -16.799  -3.426
    6    HG3  GLN  90           HG3      GLN  90  -6.508 -15.706  -3.744
    7   HE21  GLN  90          HE21      GLN  90  -5.471 -14.759  -5.492
    8   HE22  GLN  90          HE22      GLN  90  -4.118 -13.693  -5.284

  No H/Q in entry =           8
  In of MODEL    5
    1    HA   PRO  91           HA       PRO  91  -5.947 -10.604   0.019
    2    HB2  PRO  91           HB2      PRO  91  -3.683 -12.078   1.335
    3    HB3  PRO  91           HB3      PRO  91  -4.455 -10.550   1.814
    4    HG2  PRO  91           HG2      PRO  91  -5.149 -12.766   3.049
    5    HG3  PRO  91           HG3      PRO  91  -6.415 -11.632   2.511
    6    HD2  PRO  91           HD2      PRO  91  -5.593 -14.280   1.350
    7    HD3  PRO  91           HD3      PRO  91  -7.219 -13.526   1.405

  No H/Q in entry =           7
  In of MODEL    5
    1    H    LYS  92           H        LYS  92  -4.690  -9.308  -1.124
    2    HA   LYS  92           HA       LYS  92  -3.118 -10.603  -3.192
    3    HB2  LYS  92           HB2      LYS  92  -4.993  -9.102  -3.810
    4    HB3  LYS  92           HB3      LYS  92  -4.133  -7.767  -3.055
    5    HG2  LYS  92           HG2      LYS  92  -3.759  -7.690  -5.406
    6    HG3  LYS  92           HG3      LYS  92  -2.256  -8.160  -4.599
    7    HD2  LYS  92           HD2      LYS  92  -2.434  -9.610  -6.433
    8    HD3  LYS  92           HD3      LYS  92  -2.963 -10.549  -5.035
    9    HE2  LYS  92           HE2      LYS  92  -5.246 -10.313  -5.629
   10    HE3  LYS  92           HE3      LYS  92  -4.869  -9.115  -6.866
   11    HZ1  LYS  92           HZ1      LYS  92  -3.970 -11.945  -6.953
   12    HZ2  LYS  92           HZ2      LYS  92  -5.327 -11.342  -7.776
   13    HZ3  LYS  92           HZ3      LYS  92  -3.776 -10.779  -8.170

  No H/Q in entry =          13
  In of MODEL    5
    1    H    ILE  93           H        ILE  93  -1.008 -10.432  -3.313
    2    HA   ILE  93           HA       ILE  93   0.353  -8.292  -1.822
    3    HB   ILE  93           HB       ILE  93   1.481 -10.940  -2.742
    4   HG12  ILE  93          HG12      ILE  93   1.952 -11.125  -0.201
    5   HG13  ILE  93          HG13      ILE  93   0.732  -9.875  -0.031
    6   HG21  ILE  93          HG21      ILE  93   3.134  -9.176  -2.975
    7   HG22  ILE  93          HG22      ILE  93   2.859  -8.687  -1.300
    8   HG23  ILE  93          HG23      ILE  93   3.562 -10.267  -1.650
    9   HD11  ILE  93          HD11      ILE  93   0.317 -12.563  -1.309
   10   HD12  ILE  93          HD12      ILE  93  -0.174 -12.105   0.321
   11   HD13  ILE  93          HD13      ILE  93  -0.909 -11.321  -1.074

  No H/Q in entry =          11
  In of MODEL    5
    1    H    VAL  94           H        VAL  94   1.380  -6.809  -2.954
    2    HA   VAL  94           HA       VAL  94   2.352  -7.485  -5.639
    3    HB   VAL  94           HB       VAL  94   1.112  -4.838  -4.830
    4   HG11  VAL  94          HG11      VAL  94   2.383  -5.673  -7.437
    5   HG12  VAL  94          HG12      VAL  94   1.511  -4.165  -7.163
    6   HG13  VAL  94          HG13      VAL  94   3.017  -4.482  -6.302
    7   HG21  VAL  94          HG21      VAL  94  -0.541  -6.567  -5.284
    8   HG22  VAL  94          HG22      VAL  94  -0.545  -5.350  -6.561
    9   HG23  VAL  94          HG23      VAL  94   0.228  -6.912  -6.834

  No H/Q in entry =           9
  In of MODEL    5
    1    H    LYS  95           H        LYS  95   4.410  -6.997  -5.947
    2    HA   LYS  95           HA       LYS  95   5.885  -6.061  -3.620
    3    HB2  LYS  95           HB2      LYS  95   7.577  -7.335  -4.354
    4    HB3  LYS  95           HB3      LYS  95   6.414  -8.001  -5.485
    5    HG2  LYS  95           HG2      LYS  95   7.180  -6.569  -7.227
    6    HG3  LYS  95           HG3      LYS  95   8.176  -5.653  -6.094
    7    HD2  LYS  95           HD2      LYS  95   9.180  -8.069  -5.630
    8    HD3  LYS  95           HD3      LYS  95   8.619  -8.341  -7.279
    9    HE2  LYS  95           HE2      LYS  95  10.488  -6.150  -6.377
   10    HE3  LYS  95           HE3      LYS  95  10.958  -7.622  -7.223
   11    HZ1  LYS  95           HZ1      LYS  95   9.166  -5.510  -8.302
   12    HZ2  LYS  95           HZ2      LYS  95  10.794  -5.730  -8.718
   13    HZ3  LYS  95           HZ3      LYS  95   9.651  -6.912  -9.120

  No H/Q in entry =          13
  In of MODEL    5
    1    H    TRP  96           H        TRP  96   7.188  -4.238  -3.584
    2    HA   TRP  96           HA       TRP  96   6.143  -2.057  -5.096
    3    HB2  TRP  96           HB2      TRP  96   6.816  -1.720  -2.782
    4    HB3  TRP  96           HB3      TRP  96   8.472  -2.214  -3.139
    5    HD1  TRP  96           HD1      TRP  96   6.004   0.613  -4.123
    6    HE1  TRP  96           HE1      TRP  96   7.373   2.755  -4.489
    7    HE3  TRP  96           HE3      TRP  96  10.697  -1.292  -3.435
    8    HZ2  TRP  96           HZ2      TRP  96  10.074   3.545  -4.478
    9    HZ3  TRP  96           HZ3      TRP  96  12.627   0.220  -3.626
   10    HH2  TRP  96           HH2      TRP  96  12.313   2.605  -4.145

  No H/Q in entry =          10
  In of MODEL    5
    1    H    ASP  97           H        ASP  97   6.778  -1.313  -6.961
    2    HA   ASP  97           HA       ASP  97   9.521  -1.853  -7.867
    3    HB2  ASP  97           HB2      ASP  97   6.967  -2.239  -9.402
    4    HB3  ASP  97           HB3      ASP  97   8.439  -1.783 -10.249

  No H/Q in entry =           4
  In of MODEL    5
    1    H    ARG  98           H        ARG  98  10.538  -0.244  -8.929
    2    HA   ARG  98           HA       ARG  98   9.369   2.385  -8.446
    3    HB2  ARG  98           HB2      ARG  98  11.737   3.157  -8.556
    4    HB3  ARG  98           HB3      ARG  98  11.471   1.921  -7.350
    5    HG2  ARG  98           HG2      ARG  98  13.111   0.746  -8.193
    6    HG3  ARG  98           HG3      ARG  98  12.182   0.552  -9.677
    7    HD2  ARG  98           HD2      ARG  98  14.313   1.424 -10.263
    8    HD3  ARG  98           HD3      ARG  98  13.136   2.715 -10.468
    9    HE   ARG  98           HE       ARG  98  14.268   2.898  -7.902
   10   HH11  ARG  98          HH11      ARG  98  15.036   3.405 -11.277
   11   HH12  ARG  98          HH12      ARG  98  16.358   4.496 -10.948
   12   HH21  ARG  98          HH21      ARG  98  15.982   4.367  -7.458
   13   HH22  ARG  98          HH22      ARG  98  16.893   5.037  -8.774

  No H/Q in entry =          13
  In of MODEL    5
    1    H    ASP  99           H        ASP  99  10.834   0.481 -10.989
    2    HA   ASP  99           HA       ASP  99  10.109   2.582 -12.937
    3    HB2  ASP  99           HB2      ASP  99  12.548   0.852 -12.768
    4    HB3  ASP  99           HB3      ASP  99  12.024   1.496 -14.320

  No H/Q in entry =           4
  In of MODEL    5
    1    H    MET 100           H        MET 100   9.377  -0.398 -11.862
    2    HA   MET 100           HA       MET 100   9.039  -1.559 -14.544
    3    HB2  MET 100           HB2      MET 100   8.832  -3.061 -11.938
    4    HB3  MET 100           HB3      MET 100   9.114  -3.704 -13.554
    5    HG2  MET 100           HG2      MET 100  11.026  -1.986 -12.006
    6    HG3  MET 100           HG3      MET 100  11.127  -3.746 -12.158
    7    HE1  MET 100           HE1      MET 100  13.541  -1.788 -12.850
    8    HE2  MET 100           HE2      MET 100  13.642  -3.539 -13.023
    9    HE3  MET 100           HE3      MET 100  14.127  -2.491 -14.357

  No H/Q in entry =           9
  In of MODEL    6
    1    HA   ILE   2           HA       ILE   2 -22.855  -7.722  -3.878
    2    HB   ILE   2           HB       ILE   2 -20.589  -8.917  -4.101
    3   HG12  ILE   2          HG12      ILE   2 -21.142  -8.472  -7.050
    4   HG13  ILE   2          HG13      ILE   2 -19.820  -7.728  -6.152
    5   HG21  ILE   2          HG21      ILE   2 -22.958  -9.775  -5.747
    6   HG22  ILE   2          HG22      ILE   2 -21.636 -10.830  -5.248
    7   HG23  ILE   2          HG23      ILE   2 -22.682 -10.093  -4.034
    8   HD11  ILE   2          HD11      ILE   2 -20.193 -10.678  -6.614
    9   HD12  ILE   2          HD12      ILE   2 -19.058  -9.623  -7.459
   10   HD13  ILE   2          HD13      ILE   2 -18.864  -9.923  -5.734

  No H/Q in entry =          10
  In of MODEL    6
    1    H    GLN   3           H        GLN   3 -20.188  -6.181  -5.694
    2    HA   GLN   3           HA       GLN   3 -19.510  -4.242  -3.814
    3    HB2  GLN   3           HB2      GLN   3 -19.073  -6.477  -2.519
    4    HB3  GLN   3           HB3      GLN   3 -17.669  -6.622  -3.558
    5    HG2  GLN   3           HG2      GLN   3 -16.950  -5.678  -1.498
    6    HG3  GLN   3           HG3      GLN   3 -16.906  -4.396  -2.717
    7   HE21  GLN   3          HE21      GLN   3 -18.424  -2.728  -2.610
    8   HE22  GLN   3          HE22      GLN   3 -19.326  -2.415  -1.174

  No H/Q in entry =           8
  In of MODEL    6
    1    H    ARG   4           H        ARG   4 -17.000  -3.687  -4.186
    2    HA   ARG   4           HA       ARG   4 -16.389  -4.205  -7.019
    3    HB2  ARG   4           HB2      ARG   4 -17.118  -1.917  -6.834
    4    HB3  ARG   4           HB3      ARG   4 -16.067  -1.664  -5.439
    5    HG2  ARG   4           HG2      ARG   4 -14.283  -1.195  -6.725
    6    HG3  ARG   4           HG3      ARG   4 -14.575  -2.606  -7.721
    7    HD2  ARG   4           HD2      ARG   4 -15.910   0.091  -8.136
    8    HD3  ARG   4           HD3      ARG   4 -14.681  -0.653  -9.158
    9    HE   ARG   4           HE       ARG   4 -16.599  -2.516  -9.188
   10   HH11  ARG   4          HH11      ARG   4 -16.679   0.944  -9.734
   11   HH12  ARG   4          HH12      ARG   4 -18.140   0.883 -10.671
   12   HH21  ARG   4          HH21      ARG   4 -18.481  -2.604 -10.438
   13   HH22  ARG   4          HH22      ARG   4 -19.168  -1.137 -11.084

  No H/Q in entry =          13
  In of MODEL    6
    1    H    THR   5           H        THR   5 -14.270  -4.624  -7.544
    2    HA   THR   5           HA       THR   5 -12.669  -5.600  -5.416
    3    HB   THR   5           HB       THR   5 -11.090  -6.322  -7.152
    4    HG1  THR   5           HG1      THR   5 -11.901  -5.884  -9.413
    5   HG21  THR   5          HG21      THR   5 -14.010  -6.860  -7.563
    6   HG22  THR   5          HG22      THR   5 -12.806  -7.570  -8.637
    7   HG23  THR   5          HG23      THR   5 -12.755  -7.922  -6.915

  No H/Q in entry =           7
  In of MODEL    6
    1    HA   PRO   6           HA       PRO   6 -10.286  -1.813  -4.946
    2    HB2  PRO   6           HB2      PRO   6  -8.863  -3.106  -2.808
    3    HB3  PRO   6           HB3      PRO   6 -10.061  -1.817  -2.691
    4    HG2  PRO   6           HG2      PRO   6 -10.420  -4.425  -1.802
    5    HG3  PRO   6           HG3      PRO   6 -11.730  -3.262  -2.141
    6    HD2  PRO   6           HD2      PRO   6 -10.723  -5.547  -3.783
    7    HD3  PRO   6           HD3      PRO   6 -12.360  -4.859  -3.658

  No H/Q in entry =           7
  In of MODEL    6
    1    H    LYS   7           H        LYS   7  -8.454  -1.417  -6.068
    2    HA   LYS   7           HA       LYS   7  -6.860  -3.752  -6.842
    3    HB2  LYS   7           HB2      LYS   7  -7.968  -2.440  -8.651
    4    HB3  LYS   7           HB3      LYS   7  -7.028  -1.032  -8.176
    5    HG2  LYS   7           HG2      LYS   7  -4.994  -2.067  -8.846
    6    HG3  LYS   7           HG3      LYS   7  -5.796  -3.623  -9.073
    7    HD2  LYS   7           HD2      LYS   7  -7.145  -2.633 -10.880
    8    HD3  LYS   7           HD3      LYS   7  -6.271  -1.112 -10.677
    9    HE2  LYS   7           HE2      LYS   7  -5.433  -2.534 -12.546
   10    HE3  LYS   7           HE3      LYS   7  -4.212  -2.131 -11.341
   11    HZ1  LYS   7           HZ1      LYS   7  -5.731  -4.683 -11.341
   12    HZ2  LYS   7           HZ2      LYS   7  -4.214  -4.497 -12.076
   13    HZ3  LYS   7           HZ3      LYS   7  -4.375  -4.286 -10.402

  No H/Q in entry =          13
  In of MODEL    6
    1    H    ILE   8           H        ILE   8  -4.538  -3.469  -7.080
    2    HA   ILE   8           HA       ILE   8  -3.571  -2.094  -4.699
    3    HB   ILE   8           HB       ILE   8  -1.909  -3.944  -6.382
    4   HG12  ILE   8          HG12      ILE   8  -3.964  -5.177  -6.000
    5   HG13  ILE   8          HG13      ILE   8  -2.707  -5.821  -4.955
    6   HG21  ILE   8          HG21      ILE   8  -0.799  -2.694  -4.615
    7   HG22  ILE   8          HG22      ILE   8  -1.958  -3.306  -3.433
    8   HG23  ILE   8          HG23      ILE   8  -0.838  -4.414  -4.226
    9   HD11  ILE   8          HD11      ILE   8  -3.632  -4.566  -3.082
   10   HD12  ILE   8          HD12      ILE   8  -4.894  -3.928  -4.136
   11   HD13  ILE   8          HD13      ILE   8  -4.821  -5.659  -3.791

  No H/Q in entry =          11
  In of MODEL    6
    1    H    GLN   9           H        GLN   9  -2.731  -0.148  -4.950
    2    HA   GLN   9           HA       GLN   9  -0.875   0.274  -7.195
    3    HB2  GLN   9           HB2      GLN   9  -2.633   2.244  -5.738
    4    HB3  GLN   9           HB3      GLN   9  -1.320   2.738  -6.812
    5    HG2  GLN   9           HG2      GLN   9  -2.435   1.662  -8.677
    6    HG3  GLN   9           HG3      GLN   9  -3.718   1.096  -7.609
    7   HE21  GLN   9          HE21      GLN   9  -3.844   2.841  -9.962
    8   HE22  GLN   9          HE22      GLN   9  -4.595   4.308  -9.425

  No H/Q in entry =           8
  In of MODEL    6
    1    H    VAL  10           H        VAL  10   1.178   0.273  -6.497
    2    HA   VAL  10           HA       VAL  10   1.792   1.539  -3.940
    3    HB   VAL  10           HB       VAL  10   1.763  -0.684  -3.172
    4   HG11  VAL  10          HG11      VAL  10   1.564  -1.745  -5.391
    5   HG12  VAL  10          HG12      VAL  10   3.311  -1.586  -5.590
    6   HG13  VAL  10          HG13      VAL  10   2.657  -2.594  -4.294
    7   HG21  VAL  10          HG21      VAL  10   4.609  -0.080  -3.980
    8   HG22  VAL  10          HG22      VAL  10   3.804   0.408  -2.489
    9   HG23  VAL  10          HG23      VAL  10   4.136  -1.299  -2.797

  No H/Q in entry =           9
  In of MODEL    6
    1    H    TYR  11           H        TYR  11   3.472   2.824  -4.020
    2    HA   TYR  11           HA       TYR  11   5.672   2.478  -5.817
    3    HB2  TYR  11           HB2      TYR  11   5.304   4.622  -7.059
    4    HB3  TYR  11           HB3      TYR  11   4.120   3.385  -7.448
    5    HD1  TYR  11           HD1      TYR  11   4.664   6.608  -5.767
    6    HD2  TYR  11           HD2      TYR  11   1.794   3.673  -6.882
    7    HE1  TYR  11           HE1      TYR  11   2.853   8.197  -5.274
    8    HE2  TYR  11           HE2      TYR  11  -0.023   5.252  -6.389
    9    HH   TYR  11           HH       TYR  11  -0.381   7.258  -4.989

  No H/Q in entry =           9
  In of MODEL    6
    1    H    SER  12           H        SER  12   7.132   4.530  -5.642
    2    HA   SER  12           HA       SER  12   7.246   5.173  -2.805
    3    HB2  SER  12           HB2      SER  12   9.287   4.451  -4.048
    4    HB3  SER  12           HB3      SER  12   9.173   5.917  -5.014
    5    HG   SER  12           HG       SER  12  10.428   5.675  -2.767

  No H/Q in entry =           5
  In of MODEL    6
    1    H    ARG  13           H        ARG  13   6.899   7.127  -1.934
    2    HA   ARG  13           HA       ARG  13   5.267   8.956  -3.391
    3    HB2  ARG  13           HB2      ARG  13   5.277   8.440  -0.862
    4    HB3  ARG  13           HB3      ARG  13   6.656   9.505  -0.747
    5    HG2  ARG  13           HG2      ARG  13   3.948  10.398  -1.731
    6    HG3  ARG  13           HG3      ARG  13   4.459  10.492  -0.061
    7    HD2  ARG  13           HD2      ARG  13   5.000  12.596  -0.714
    8    HD3  ARG  13           HD3      ARG  13   6.479  11.796  -1.207
    9    HE   ARG  13           HE       ARG  13   5.491  11.679  -3.477
   10   HH11  ARG  13          HH11      ARG  13   4.327  14.078  -1.197
   11   HH12  ARG  13          HH12      ARG  13   3.892  15.219  -2.437
   12   HH21  ARG  13          HH21      ARG  13   4.919  13.193  -5.094
   13   HH22  ARG  13          HH22      ARG  13   4.239  14.724  -4.638

  No H/Q in entry =          13
  In of MODEL    6
    1    H    HIS  14           H        HIS  14   8.581   9.209  -2.160
    2    HA   HIS  14           HA       HIS  14   9.013  11.430  -4.026
    3    HB2  HIS  14           HB2      HIS  14   9.927  10.994  -1.217
    4    HB3  HIS  14           HB3      HIS  14  11.005  11.871  -2.297
    5    HD2  HIS  14           HD2      HIS  14   7.971  13.213  -3.631
    6    HE1  HIS  14           HE1      HIS  14   8.414  15.345  -0.002
    7    HE2  HIS  14           HE2      HIS  14   7.431  15.394  -2.339

  No H/Q in entry =           7
  In of MODEL    6
    1    HA   PRO  15           HA       PRO  15  12.395   9.466  -6.141
    2    HB2  PRO  15           HB2      PRO  15  14.776  10.463  -4.999
    3    HB3  PRO  15           HB3      PRO  15  13.939  11.087  -6.432
    4    HG2  PRO  15           HG2      PRO  15  13.858  12.089  -3.598
    5    HG3  PRO  15           HG3      PRO  15  13.716  12.995  -5.142
    6    HD2  PRO  15           HD2      PRO  15  11.564  12.489  -3.592
    7    HD3  PRO  15           HD3      PRO  15  11.455  12.488  -5.379

  No H/Q in entry =           7
  In of MODEL    6
    1    H    ALA  16           H        ALA  16  12.772   7.402  -5.833
    2    HA   ALA  16           HA       ALA  16  13.338   6.316  -3.234
    3    HB1  ALA  16           HB1      ALA  16  11.817   5.170  -4.774
    4    HB2  ALA  16           HB2      ALA  16  13.148   4.939  -5.909
    5    HB3  ALA  16           HB3      ALA  16  13.186   4.152  -4.330

  No H/Q in entry =           5
  In of MODEL    6
    1    H    GLU  17           H        GLU  17  15.357   6.305  -2.457
    2    HA   GLU  17           HA       GLU  17  17.550   5.856  -4.361
    3    HB2  GLU  17           HB2      GLU  17  17.438   8.192  -3.508
    4    HB3  GLU  17           HB3      GLU  17  17.660   7.565  -1.877
    5    HG2  GLU  17           HG2      GLU  17  19.752   8.411  -2.834
    6    HG3  GLU  17           HG3      GLU  17  19.832   6.685  -2.474

  No H/Q in entry =           6
  In of MODEL    6
    1    H    ASN  18           H        ASN  18  18.920   4.285  -3.910
    2    HA   ASN  18           HA       ASN  18  18.441   2.564  -1.656
    3    HB2  ASN  18           HB2      ASN  18  18.989   1.298  -3.494
    4    HB3  ASN  18           HB3      ASN  18  20.178   2.458  -4.091
    5   HD21  ASN  18          HD21      ASN  18  21.817   1.017  -4.385
    6   HD22  ASN  18          HD22      ASN  18  22.615   0.184  -3.092

  No H/Q in entry =           6
  In of MODEL    6
    1    H    GLY  19           H        GLY  19  19.341   2.652   0.214
    2    HA2  GLY  19           HA2      GLY  19  22.001   3.787   0.608
    3    HA3  GLY  19           HA3      GLY  19  21.018   2.962   1.829

  No H/Q in entry =           3
  In of MODEL    6
    1    H    LYS  20           H        LYS  20  18.699   4.644   0.867
    2    HA   LYS  20           HA       LYS  20  19.313   7.075   2.383
    3    HB2  LYS  20           HB2      LYS  20  19.562   7.421  -0.087
    4    HB3  LYS  20           HB3      LYS  20  17.887   6.948  -0.278
    5    HG2  LYS  20           HG2      LYS  20  17.826   9.260  -0.355
    6    HG3  LYS  20           HG3      LYS  20  17.322   8.875   1.293
    7    HD2  LYS  20           HD2      LYS  20  19.610   9.344   2.075
    8    HD3  LYS  20           HD3      LYS  20  20.073   9.758   0.423
    9    HE2  LYS  20           HE2      LYS  20  17.991  11.167   2.099
   10    HE3  LYS  20           HE3      LYS  20  19.603  11.771   1.718
   11    HZ1  LYS  20           HZ1      LYS  20  18.993  11.800  -0.629
   12    HZ2  LYS  20           HZ2      LYS  20  17.439  11.239  -0.253
   13    HZ3  LYS  20           HZ3      LYS  20  17.940  12.765   0.291

  No H/Q in entry =          13
  In of MODEL    6
    1    H    SER  21           H        SER  21  17.545   7.915   3.504
    2    HA   SER  21           HA       SER  21  15.377   6.144   4.018
    3    HB2  SER  21           HB2      SER  21  16.246   7.624   5.758
    4    HB3  SER  21           HB3      SER  21  15.818   9.028   4.787
    5    HG   SER  21           HG       SER  21  14.325   7.776   6.561

  No H/Q in entry =           5
  In of MODEL    6
    1    H    ASN  22           H        ASN  22  13.441   6.100   3.153
    2    HA   ASN  22           HA       ASN  22  12.688   8.096   1.122
    3    HB2  ASN  22           HB2      ASN  22  13.918   5.990   0.154
    4    HB3  ASN  22           HB3      ASN  22  12.489   5.102   0.651
    5   HD21  ASN  22          HD21      ASN  22  12.184   8.381  -0.572
    6   HD22  ASN  22          HD22      ASN  22  11.475   7.917  -2.082

  No H/Q in entry =           6
  In of MODEL    6
    1    H    PHE  23           H        PHE  23  10.309   7.521   0.358
    2    HA   PHE  23           HA       PHE  23   8.804   6.702   2.749
    3    HB2  PHE  23           HB2      PHE  23   8.351   9.084   0.953
    4    HB3  PHE  23           HB3      PHE  23   7.104   8.453   2.021
    5    HD1  PHE  23           HD1      PHE  23   6.901   9.324   4.118
    6    HD2  PHE  23           HD2      PHE  23  10.632   9.664   2.109
    7    HE1  PHE  23           HE1      PHE  23   7.752  10.729   5.949
    8    HE2  PHE  23           HE2      PHE  23  11.497  11.059   3.939
    9    HZ   PHE  23           HZ       PHE  23  10.058  11.583   5.868

  No H/Q in entry =           9
  In of MODEL    6
    1    H    LEU  24           H        LEU  24   7.627   4.970   2.288
    2    HA   LEU  24           HA       LEU  24   7.060   4.204  -0.437
    3    HB2  LEU  24           HB2      LEU  24   7.265   2.916   2.029
    4    HB3  LEU  24           HB3      LEU  24   5.579   2.746   1.585
    5    HG   LEU  24           HG       LEU  24   7.977   1.792  -0.011
    6   HD11  LEU  24          HD11      LEU  24   7.439   0.425   1.948
    7   HD12  LEU  24          HD12      LEU  24   5.771   0.286   1.392
    8   HD13  LEU  24          HD13      LEU  24   7.076  -0.429   0.447
    9   HD21  LEU  24          HD21      LEU  24   5.037   1.619  -0.680
   10   HD22  LEU  24          HD22      LEU  24   6.271   2.523  -1.564
   11   HD23  LEU  24          HD23      LEU  24   6.329   0.759  -1.518

  No H/Q in entry =          11
  In of MODEL    6
    1    H    ASN  25           H        ASN  25   4.904   3.769  -1.202
    2    HA   ASN  25           HA       ASN  25   2.733   5.000   0.295
    3    HB2  ASN  25           HB2      ASN  25   3.365   6.810  -1.149
    4    HB3  ASN  25           HB3      ASN  25   3.476   5.740  -2.543
    5   HD21  ASN  25          HD21      ASN  25   1.411   7.567  -0.486
    6   HD22  ASN  25          HD22      ASN  25  -0.037   7.363  -1.405

  No H/Q in entry =           6
  In of MODEL    6
    1    H    CYS  26           H        CYS  26   1.050   3.698   0.344
    2    HA   CYS  26           HA       CYS  26   0.620   1.833  -1.884
    3    HB2  CYS  26           HB2      CYS  26   1.512   0.897   0.412
    4    HB3  CYS  26           HB3      CYS  26  -0.172   1.096   0.906

  No H/Q in entry =           4
  In of MODEL    6
    1    H    TYR  27           H        TYR  27  -1.258   2.195  -2.817
    2    HA   TYR  27           HA       TYR  27  -3.313   3.704  -1.326
    3    HB2  TYR  27           HB2      TYR  27  -1.985   4.288  -3.855
    4    HB3  TYR  27           HB3      TYR  27  -3.729   4.199  -4.043
    5    HD1  TYR  27           HD1      TYR  27  -0.984   6.241  -3.079
    6    HD2  TYR  27           HD2      TYR  27  -5.153   5.678  -2.449
    7    HE1  TYR  27           HE1      TYR  27  -1.183   8.571  -2.327
    8    HE2  TYR  27           HE2      TYR  27  -5.355   8.008  -1.700
    9    HH   TYR  27           HH       TYR  27  -2.952  10.312  -2.165

  No H/Q in entry =           9
  In of MODEL    6
    1    H    VAL  28           H        VAL  28  -4.735   2.130  -0.847
    2    HA   VAL  28           HA       VAL  28  -5.646   0.434  -3.069
    3    HB   VAL  28           HB       VAL  28  -6.383  -0.107  -0.213
    4   HG11  VAL  28          HG11      VAL  28  -5.978  -1.829  -2.647
    5   HG12  VAL  28          HG12      VAL  28  -6.457  -2.421  -1.055
    6   HG13  VAL  28          HG13      VAL  28  -7.525  -1.340  -1.952
    7   HG21  VAL  28          HG21      VAL  28  -3.797  -0.927  -1.524
    8   HG22  VAL  28          HG22      VAL  28  -3.983   0.091  -0.093
    9   HG23  VAL  28          HG23      VAL  28  -4.430  -1.617  -0.028

  No H/Q in entry =           9
  In of MODEL    6
    1    H    SER  29           H        SER  29  -7.330   1.395  -4.028
    2    HA   SER  29           HA       SER  29  -9.555   2.289  -2.384
    3    HB2  SER  29           HB2      SER  29  -8.069   4.272  -2.691
    4    HB3  SER  29           HB3      SER  29  -8.295   4.123  -4.432
    5    HG   SER  29           HG       SER  29 -10.238   4.736  -2.451

  No H/Q in entry =           5
  In of MODEL    6
    1    H    GLY  30           H        GLY  30 -11.256   3.305  -4.106
    2    HA2  GLY  30           HA2      GLY  30 -11.419   1.498  -6.402
    3    HA3  GLY  30           HA3      GLY  30 -12.445   2.894  -6.111

  No H/Q in entry =           3
  In of MODEL    6
    1    H    PHE  31           H        PHE  31 -12.574   1.822  -3.207
    2    HA   PHE  31           HA       PHE  31 -14.511  -0.321  -3.724
    3    HB2  PHE  31           HB2      PHE  31 -13.697  -1.537  -1.788
    4    HB3  PHE  31           HB3      PHE  31 -12.335  -1.195  -2.876
    5    HD1  PHE  31           HD1      PHE  31 -10.684   0.482  -2.309
    6    HD2  PHE  31           HD2      PHE  31 -13.816  -0.484   0.403
    7    HE1  PHE  31           HE1      PHE  31  -9.484   1.625  -0.507
    8    HE2  PHE  31           HE2      PHE  31 -12.594   0.651   2.216
    9    HZ   PHE  31           HZ       PHE  31 -10.442   1.723   1.748

  No H/Q in entry =           9
  In of MODEL    6
    1    H    HIS  32           H        HIS  32 -15.784  -0.819  -1.632
    2    HA   HIS  32           HA       HIS  32 -15.854   1.137   0.423
    3    HB2  HIS  32           HB2      HIS  32 -18.270   1.658   0.262
    4    HB3  HIS  32           HB3      HIS  32 -17.381   2.265  -1.126
    5    HD2  HIS  32           HD2      HIS  32 -17.805   0.758  -3.532
    6    HE1  HIS  32           HE1      HIS  32 -21.474  -0.790  -2.098
    7    HE2  HIS  32           HE2      HIS  32 -20.130  -0.201  -4.166

  No H/Q in entry =           7
  In of MODEL    6
    1    HA   PRO  33           HA       PRO  33 -17.935   1.350   2.159
    2    HB2  PRO  33           HB2      PRO  33 -17.631   0.701   4.769
    3    HB3  PRO  33           HB3      PRO  33 -19.096   0.324   3.854
    4    HG2  PRO  33           HG2      PRO  33 -16.769  -1.447   4.513
    5    HG3  PRO  33           HG3      PRO  33 -18.505  -1.800   4.614
    6    HD2  PRO  33           HD2      PRO  33 -17.002  -2.629   2.544
    7    HD3  PRO  33           HD3      PRO  33 -18.698  -2.146   2.342

  No H/Q in entry =           7
  In of MODEL    6
    1    H    SER  34           H        SER  34 -16.842   2.491   4.096
    2    HA   SER  34           HA       SER  34 -14.441   3.516   3.280
    3    HB2  SER  34           HB2      SER  34 -15.267   3.458   6.180
    4    HB3  SER  34           HB3      SER  34 -14.335   4.711   5.350
    5    HG   SER  34           HG       SER  34 -16.277   5.573   5.203

  No H/Q in entry =           5
  In of MODEL    6
    1    H    ASP  35           H        ASP  35 -14.593   0.426   4.704
    2    HA   ASP  35           HA       ASP  35 -11.881   0.760   5.811
    3    HB2  ASP  35           HB2      ASP  35 -14.108  -1.084   6.670
    4    HB3  ASP  35           HB3      ASP  35 -12.440  -1.325   7.175

  No H/Q in entry =           4
  In of MODEL    6
    1    H    ILE  36           H        ILE  36 -10.292  -0.260   4.928
    2    HA   ILE  36           HA       ILE  36 -10.614  -3.042   4.100
    3    HB   ILE  36           HB       ILE  36 -10.490  -1.549   1.999
    4   HG12  ILE  36          HG12      ILE  36  -8.665  -3.841   2.642
    5   HG13  ILE  36          HG13      ILE  36 -10.082  -3.808   1.601
    6   HG21  ILE  36          HG21      ILE  36  -8.798   0.020   2.851
    7   HG22  ILE  36          HG22      ILE  36  -7.630  -1.299   2.921
    8   HG23  ILE  36          HG23      ILE  36  -8.264  -0.762   1.363
    9   HD11  ILE  36          HD11      ILE  36  -7.437  -2.526   0.941
   10   HD12  ILE  36          HD12      ILE  36  -7.971  -4.104   0.367
   11   HD13  ILE  36          HD13      ILE  36  -8.840  -2.649  -0.120

  No H/Q in entry =          11
  In of MODEL    6
    1    H    GLU  37           H        GLU  37  -8.549  -4.222   4.404
    2    HA   GLU  37           HA       GLU  37  -6.723  -2.705   6.118
    3    HB2  GLU  37           HB2      GLU  37  -8.088  -4.652   7.122
    4    HB3  GLU  37           HB3      GLU  37  -7.026  -5.687   6.172
    5    HG2  GLU  37           HG2      GLU  37  -6.292  -5.419   8.518
    6    HG3  GLU  37           HG3      GLU  37  -5.085  -4.874   7.350

  No H/Q in entry =           6
  In of MODEL    6
    1    H    VAL  38           H        VAL  38  -4.804  -2.414   5.320
    2    HA   VAL  38           HA       VAL  38  -3.701  -4.381   3.473
    3    HB   VAL  38           HB       VAL  38  -3.921  -3.008   1.746
    4   HG11  VAL  38          HG11      VAL  38  -4.468  -0.757   3.659
    5   HG12  VAL  38          HG12      VAL  38  -4.668  -0.684   1.905
    6   HG13  VAL  38          HG13      VAL  38  -5.651  -1.796   2.862
    7   HG21  VAL  38          HG21      VAL  38  -1.915  -1.258   3.175
    8   HG22  VAL  38          HG22      VAL  38  -1.557  -2.592   2.082
    9   HG23  VAL  38          HG23      VAL  38  -2.334  -1.132   1.464

  No H/Q in entry =           9
  In of MODEL    6
    1    H    ASP  39           H        ASP  39  -1.620  -4.743   3.641
    2    HA   ASP  39           HA       ASP  39  -0.105  -3.294   5.710
    3    HB2  ASP  39           HB2      ASP  39  -0.781  -5.252   6.868
    4    HB3  ASP  39           HB3      ASP  39  -0.420  -6.291   5.506

  No H/Q in entry =           4
  In of MODEL    6
    1    H    LEU  40           H        LEU  40   2.125  -3.258   5.457
    2    HA   LEU  40           HA       LEU  40   2.974  -3.709   2.691
    3    HB2  LEU  40           HB2      LEU  40   4.408  -2.101   4.779
    4    HB3  LEU  40           HB3      LEU  40   4.659  -2.069   3.045
    5    HG   LEU  40           HG       LEU  40   2.266  -0.995   4.533
    6   HD11  LEU  40          HD11      LEU  40   4.343   0.306   4.770
    7   HD12  LEU  40          HD12      LEU  40   4.448   0.422   3.014
    8   HD13  LEU  40          HD13      LEU  40   3.099   1.173   3.867
    9   HD21  LEU  40          HD21      LEU  40   2.888  -0.989   1.586
   10   HD22  LEU  40          HD22      LEU  40   1.558  -1.835   2.383
   11   HD23  LEU  40          HD23      LEU  40   1.591  -0.068   2.357

  No H/Q in entry =          11
  In of MODEL    6
    1    H    LEU  41           H        LEU  41   4.772  -4.911   2.240
    2    HA   LEU  41           HA       LEU  41   5.664  -6.621   4.447
    3    HB2  LEU  41           HB2      LEU  41   5.768  -7.413   1.575
    4    HB3  LEU  41           HB3      LEU  41   5.857  -8.427   2.981
    5    HG   LEU  41           HG       LEU  41   3.375  -6.974   2.091
    6   HD11  LEU  41          HD11      LEU  41   4.077  -8.696   0.506
    7   HD12  LEU  41          HD12      LEU  41   4.159  -9.872   1.817
    8   HD13  LEU  41          HD13      LEU  41   2.609  -9.173   1.359
    9   HD21  LEU  41          HD21      LEU  41   3.535  -7.407   4.526
   10   HD22  LEU  41          HD22      LEU  41   2.249  -8.332   3.749
   11   HD23  LEU  41          HD23      LEU  41   3.765  -9.121   4.177

  No H/Q in entry =          11
  In of MODEL    6
    1    H    LYS  42           H        LYS  42   7.573  -7.883   3.661
    2    HA   LYS  42           HA       LYS  42   9.656  -6.387   2.367
    3    HB2  LYS  42           HB2      LYS  42   9.929  -7.158   5.265
    4    HB3  LYS  42           HB3      LYS  42  11.247  -6.600   4.243
    5    HG2  LYS  42           HG2      LYS  42   9.797  -4.488   3.855
    6    HG3  LYS  42           HG3      LYS  42   8.854  -5.071   5.188
    7    HD2  LYS  42           HD2      LYS  42  11.857  -4.658   5.466
    8    HD3  LYS  42           HD3      LYS  42  10.655  -3.406   5.830
    9    HE2  LYS  42           HE2      LYS  42   9.623  -4.890   7.481
   10    HE3  LYS  42           HE3      LYS  42  10.820  -6.130   7.111
   11    HZ1  LYS  42           HZ1      LYS  42  11.457  -3.429   8.176
   12    HZ2  LYS  42           HZ2      LYS  42  11.358  -4.841   9.112
   13    HZ3  LYS  42           HZ3      LYS  42  12.557  -4.698   7.921

  No H/Q in entry =          13
  In of MODEL    6
    1    H    ASN  43           H        ASN  43  10.082  -7.864   0.978
    2    HA   ASN  43           HA       ASN  43  10.870  -9.782   0.015
    3    HB2  ASN  43           HB2      ASN  43  11.479 -10.579   2.871
    4    HB3  ASN  43           HB3      ASN  43  11.909 -11.566   1.481
    5   HD21  ASN  43          HD21      ASN  43  12.066  -8.074   1.412
    6   HD22  ASN  43          HD22      ASN  43  13.794  -7.958   1.425

  No H/Q in entry =           6
  In of MODEL    6
    1    H    GLY  44           H        GLY  44   8.529  -9.879   2.493
    2    HA2  GLY  44           HA2      GLY  44   7.548 -12.533   1.787
    3    HA3  GLY  44           HA3      GLY  44   6.471 -11.160   1.467

  No H/Q in entry =           3
  In of MODEL    6
    1    H    GLU  45           H        GLU  45   8.263 -10.227   4.016
    2    HA   GLU  45           HA       GLU  45   6.527 -11.471   6.028
    3    HB2  GLU  45           HB2      GLU  45   9.192 -10.100   6.331
    4    HB3  GLU  45           HB3      GLU  45   8.291 -10.877   7.627
    5    HG2  GLU  45           HG2      GLU  45   8.489 -13.010   6.314
    6    HG3  GLU  45           HG3      GLU  45   9.608 -12.156   5.255

  No H/Q in entry =           6
  In of MODEL    6
    1    H    ARG  46           H        ARG  46   5.646 -10.085   7.681
    2    HA   ARG  46           HA       ARG  46   4.776  -7.569   6.713
    3    HB2  ARG  46           HB2      ARG  46   3.693  -9.193   8.477
    4    HB3  ARG  46           HB3      ARG  46   4.693  -8.311   9.630
    5    HG2  ARG  46           HG2      ARG  46   3.568  -6.255   9.128
    6    HG3  ARG  46           HG3      ARG  46   2.743  -6.976   7.763
    7    HD2  ARG  46           HD2      ARG  46   1.359  -8.309   9.187
    8    HD3  ARG  46           HD3      ARG  46   2.312  -7.857  10.614
    9    HE   ARG  46           HE       ARG  46   1.159  -5.620   9.213
   10   HH11  ARG  46          HH11      ARG  46   0.590  -8.088  11.638
   11   HH12  ARG  46          HH12      ARG  46  -0.659  -7.191  12.451
   12   HH21  ARG  46          HH21      ARG  46  -0.502  -4.445  10.264
   13   HH22  ARG  46          HH22      ARG  46  -1.294  -5.120  11.659

  No H/Q in entry =          13
  In of MODEL    6
    1    H    ILE  47           H        ILE  47   5.336  -5.485   7.327
    2    HA   ILE  47           HA       ILE  47   8.057  -5.061   8.110
    3    HB   ILE  47           HB       ILE  47   5.810  -3.184   7.414
    4   HG12  ILE  47          HG12      ILE  47   8.381  -3.902   6.038
    5   HG13  ILE  47          HG13      ILE  47   6.798  -4.517   5.596
    6   HG21  ILE  47          HG21      ILE  47   8.519  -2.485   8.462
    7   HG22  ILE  47          HG22      ILE  47   7.829  -1.508   7.165
    8   HG23  ILE  47          HG23      ILE  47   6.963  -1.660   8.701
    9   HD11  ILE  47          HD11      ILE  47   6.271  -1.957   5.347
   10   HD12  ILE  47          HD12      ILE  47   8.016  -1.855   5.150
   11   HD13  ILE  47          HD13      ILE  47   7.059  -2.867   4.062

  No H/Q in entry =          11
  In of MODEL    6
    1    H    GLU  48           H        GLU  48   5.911  -2.896   9.445
    2    HA   GLU  48           HA       GLU  48   5.529  -3.347  12.005
    3    HB2  GLU  48           HB2      GLU  48   7.732  -2.141  12.935
    4    HB3  GLU  48           HB3      GLU  48   7.641  -3.876  12.763
    5    HG2  GLU  48           HG2      GLU  48   9.226  -3.868  11.296
    6    HG3  GLU  48           HG3      GLU  48   8.475  -2.592  10.348

  No H/Q in entry =           6
  In of MODEL    6
    1    H    LYS  49           H        LYS  49   7.570  -0.825  10.566
    2    HA   LYS  49           HA       LYS  49   6.181   1.217  11.901
    3    HB2  LYS  49           HB2      LYS  49   8.046   1.636   9.600
    4    HB3  LYS  49           HB3      LYS  49   7.693   2.739  10.929
    5    HG2  LYS  49           HG2      LYS  49   8.638   1.115  12.491
    6    HG3  LYS  49           HG3      LYS  49   9.034   0.090  11.118
    7    HD2  LYS  49           HD2      LYS  49  10.091   2.877  11.596
    8    HD3  LYS  49           HD3      LYS  49  10.974   1.386  11.906
    9    HE2  LYS  49           HE2      LYS  49  10.949   0.832   9.560
   10    HE3  LYS  49           HE3      LYS  49   9.929   2.227   9.209
   11    HZ1  LYS  49           HZ1      LYS  49  11.730   3.669   9.972
   12    HZ2  LYS  49           HZ2      LYS  49  12.716   2.316  10.248
   13    HZ3  LYS  49           HZ3      LYS  49  12.225   2.703   8.671

  No H/Q in entry =          13
  In of MODEL    6
    1    H    VAL  50           H        VAL  50   4.705  -0.347   9.745
    2    HA   VAL  50           HA       VAL  50   3.978   1.564   7.780
    3    HB   VAL  50           HB       VAL  50   2.343  -0.788   8.722
    4   HG11  VAL  50          HG11      VAL  50   1.149   0.944   7.418
    5   HG12  VAL  50          HG12      VAL  50   2.312   0.718   6.104
    6   HG13  VAL  50          HG13      VAL  50   1.243  -0.610   6.573
    7   HG21  VAL  50          HG21      VAL  50   4.697  -1.319   7.981
    8   HG22  VAL  50          HG22      VAL  50   3.415  -2.115   7.077
    9   HG23  VAL  50          HG23      VAL  50   4.244  -0.720   6.386

  No H/Q in entry =           9
  In of MODEL    6
    1    H    GLU  51           H        GLU  51   2.679   3.235   7.932
    2    HA   GLU  51           HA       GLU  51   0.715   3.308  10.100
    3    HB2  GLU  51           HB2      GLU  51   2.505   5.613   9.308
    4    HB3  GLU  51           HB3      GLU  51   1.230   5.663  10.515
    5    HG2  GLU  51           HG2      GLU  51   2.455   4.025  11.856
    6    HG3  GLU  51           HG3      GLU  51   3.754   4.038  10.662

  No H/Q in entry =           6
  In of MODEL    6
    1    H    HIS  52           H        HIS  52  -1.139   4.212   9.608
    2    HA   HIS  52           HA       HIS  52  -1.493   5.265   6.894
    3    HB2  HIS  52           HB2      HIS  52  -3.917   4.916   7.207
    4    HB3  HIS  52           HB3      HIS  52  -2.996   3.427   7.339
    5    HD2  HIS  52           HD2      HIS  52  -2.683   2.560  10.135
    6    HE1  HIS  52           HE1      HIS  52  -6.251   4.553  11.229
    7    HE2  HIS  52           HE2      HIS  52  -4.671   2.659  11.796

  No H/Q in entry =           7
  In of MODEL    6
    1    H    SER  53           H        SER  53  -1.731   7.361   6.638
    2    HA   SER  53           HA       SER  53  -1.849   9.090   8.957
    3    HB2  SER  53           HB2      SER  53  -0.357   9.538   6.979
    4    HB3  SER  53           HB3      SER  53  -1.805   9.877   6.033
    5    HG   SER  53           HG       SER  53  -0.597  11.697   7.162

  No H/Q in entry =           5
  In of MODEL    6
    1    H    ASP  54           H        ASP  54  -3.240  11.281   7.882
    2    HA   ASP  54           HA       ASP  54  -5.847  10.852   8.674
    3    HB2  ASP  54           HB2      ASP  54  -4.906  13.100   8.351
    4    HB3  ASP  54           HB3      ASP  54  -4.906  12.852   6.608

  No H/Q in entry =           4
  In of MODEL    6
    1    H    LEU  55           H        LEU  55  -7.420   9.720   7.900
    2    HA   LEU  55           HA       LEU  55  -7.240   7.894   5.909
    3    HB2  LEU  55           HB2      LEU  55  -8.967   8.143   7.762
    4    HB3  LEU  55           HB3      LEU  55  -9.845   9.202   6.683
    5    HG   LEU  55           HG       LEU  55 -10.580   6.747   6.876
    6   HD11  LEU  55          HD11      LEU  55 -11.447   8.275   5.184
    7   HD12  LEU  55          HD12      LEU  55 -10.075   7.900   4.143
    8   HD13  LEU  55          HD13      LEU  55 -11.245   6.644   4.545
    9   HD21  LEU  55          HD21      LEU  55  -8.370   5.754   6.671
   10   HD22  LEU  55          HD22      LEU  55  -9.439   5.191   5.388
   11   HD23  LEU  55          HD23      LEU  55  -8.216   6.414   5.044

  No H/Q in entry =          11
  In of MODEL    6
    1    H    SER  56           H        SER  56  -9.642  10.412   5.444
    2    HA   SER  56           HA       SER  56  -8.783  11.718   3.201
    3    HB2  SER  56           HB2      SER  56  -8.742   9.393   2.145
    4    HB3  SER  56           HB3      SER  56 -10.490   9.344   2.368
    5    HG   SER  56           HG       SER  56  -9.181  11.433   0.966

  No H/Q in entry =           5
  In of MODEL    6
    1    H    PHE  57           H        PHE  57 -11.007  12.284   1.818
    2    HA   PHE  57           HA       PHE  57 -13.288  11.968   3.596
    3    HB2  PHE  57           HB2      PHE  57 -12.357  14.343   3.831
    4    HB3  PHE  57           HB3      PHE  57 -12.877  14.597   2.164
    5    HD1  PHE  57           HD1      PHE  57 -13.898  14.372   5.615
    6    HD2  PHE  57           HD2      PHE  57 -15.301  14.392   1.596
    7    HE1  PHE  57           HE1      PHE  57 -16.174  14.858   6.414
    8    HE2  PHE  57           HE2      PHE  57 -17.575  14.885   2.389
    9    HZ   PHE  57           HZ       PHE  57 -18.014  15.117   4.799

  No H/Q in entry =           9
  In of MODEL    6
    1    H    SER  58           H        SER  58 -14.504  10.698   2.483
    2    HA   SER  58           HA       SER  58 -14.998  11.299  -0.358
    3    HB2  SER  58           HB2      SER  58 -14.909   8.532   0.869
    4    HB3  SER  58           HB3      SER  58 -15.032   8.938  -0.844
    5    HG   SER  58           HG       SER  58 -12.868  10.100   0.300

  No H/Q in entry =           5
  In of MODEL    6
    1    H    LYS  59           H        LYS  59 -17.194  10.519  -1.083
    2    HA   LYS  59           HA       LYS  59 -19.041  10.737   1.153
    3    HB2  LYS  59           HB2      LYS  59 -19.318  11.227  -1.798
    4    HB3  LYS  59           HB3      LYS  59 -20.739  11.034  -0.773
    5    HG2  LYS  59           HG2      LYS  59 -20.020  12.883   0.623
    6    HG3  LYS  59           HG3      LYS  59 -18.545  13.051  -0.327
    7    HD2  LYS  59           HD2      LYS  59 -21.244  13.265  -1.609
    8    HD3  LYS  59           HD3      LYS  59 -20.515  14.647  -0.793
    9    HE2  LYS  59           HE2      LYS  59 -19.311  13.094  -3.082
   10    HE3  LYS  59           HE3      LYS  59 -20.051  14.690  -3.187
   11    HZ1  LYS  59           HZ1      LYS  59 -18.311  15.402  -1.518
   12    HZ2  LYS  59           HZ2      LYS  59 -17.527  13.936  -1.829
   13    HZ3  LYS  59           HZ3      LYS  59 -17.753  15.062  -3.080

  No H/Q in entry =          13
  In of MODEL    6
    1    H    ASP  60           H        ASP  60 -20.808   9.223  -1.334
    2    HA   ASP  60           HA       ASP  60 -20.576   6.788   0.295
    3    HB2  ASP  60           HB2      ASP  60 -22.960   7.841  -1.242
    4    HB3  ASP  60           HB3      ASP  60 -22.930   6.373  -0.273

  No H/Q in entry =           4
  In of MODEL    6
    1    H    TRP  61           H        TRP  61 -18.882   7.190  -1.957
    2    HA   TRP  61           HA       TRP  61 -20.006   5.191  -3.767
    3    HB2  TRP  61           HB2      TRP  61 -18.536   7.693  -4.585
    4    HB3  TRP  61           HB3      TRP  61 -18.895   6.359  -5.679
    5    HD1  TRP  61           HD1      TRP  61 -21.627   5.806  -5.961
    6    HE1  TRP  61           HE1      TRP  61 -23.586   7.470  -6.077
    7    HE3  TRP  61           HE3      TRP  61 -19.355   9.879  -3.881
    8    HZ2  TRP  61           HZ2      TRP  61 -24.097  10.148  -5.388
    9    HZ3  TRP  61           HZ3      TRP  61 -20.635  11.960  -3.639
   10    HH2  TRP  61           HH2      TRP  61 -22.990  12.091  -4.389

  No H/Q in entry =          10
  In of MODEL    6
    1    H    SER  62           H        SER  62 -16.928   6.872  -3.120
    2    HA   SER  62           HA       SER  62 -15.613   4.316  -2.770
    3    HB2  SER  62           HB2      SER  62 -14.865   6.264  -4.972
    4    HB3  SER  62           HB3      SER  62 -13.807   4.955  -4.430
    5    HG   SER  62           HG       SER  62 -16.290   4.016  -4.909

  No H/Q in entry =           5
  In of MODEL    6
    1    H    PHE  63           H        PHE  63 -14.238   4.449  -1.137
    2    HA   PHE  63           HA       PHE  63 -13.410   7.124  -0.229
    3    HB2  PHE  63           HB2      PHE  63 -13.330   4.532   1.338
    4    HB3  PHE  63           HB3      PHE  63 -13.112   6.155   1.969
    5    HD1  PHE  63           HD1      PHE  63 -14.989   7.513   2.573
    6    HD2  PHE  63           HD2      PHE  63 -15.566   3.743   0.668
    7    HE1  PHE  63           HE1      PHE  63 -17.381   7.565   3.195
    8    HE2  PHE  63           HE2      PHE  63 -17.956   3.798   1.270
    9    HZ   PHE  63           HZ       PHE  63 -18.855   5.712   2.533

  No H/Q in entry =           9
  In of MODEL    6
    1    H    TYR  64           H        TYR  64 -11.248   7.323   0.665
    2    HA   TYR  64           HA       TYR  64  -9.353   5.546  -0.712
    3    HB2  TYR  64           HB2      TYR  64  -8.957   8.439   0.113
    4    HB3  TYR  64           HB3      TYR  64  -7.786   7.452  -0.748
    5    HD1  TYR  64           HD1      TYR  64  -7.769   7.429  -3.089
    6    HD2  TYR  64           HD2      TYR  64 -11.187   8.918  -1.045
    7    HE1  TYR  64           HE1      TYR  64  -8.690   8.236  -5.224
    8    HE2  TYR  64           HE2      TYR  64 -12.123   9.712  -3.168
    9    HH   TYR  64           HH       TYR  64 -11.263  10.393  -5.411

  No H/Q in entry =           9
  In of MODEL    6
    1    H    LEU  65           H        LEU  65  -7.670   4.690   0.457
    2    HA   LEU  65           HA       LEU  65  -7.119   5.712   3.123
    3    HB2  LEU  65           HB2      LEU  65  -8.650   4.069   3.734
    4    HB3  LEU  65           HB3      LEU  65  -8.100   2.941   2.518
    5    HG   LEU  65           HG       LEU  65  -6.123   3.579   4.620
    6   HD11  LEU  65          HD11      LEU  65  -8.378   3.532   5.774
    7   HD12  LEU  65          HD12      LEU  65  -8.492   1.847   5.269
    8   HD13  LEU  65          HD13      LEU  65  -7.190   2.360   6.339
    9   HD21  LEU  65          HD21      LEU  65  -7.180   1.040   3.380
   10   HD22  LEU  65          HD22      LEU  65  -5.731   1.911   2.883
   11   HD23  LEU  65          HD23      LEU  65  -5.802   1.156   4.475

  No H/Q in entry =          11
  In of MODEL    6
    1    H    LEU  66           H        LEU  66  -5.050   5.732   3.617
    2    HA   LEU  66           HA       LEU  66  -3.199   4.711   1.566
    3    HB2  LEU  66           HB2      LEU  66  -3.656   7.287   2.174
    4    HB3  LEU  66           HB3      LEU  66  -2.457   6.935   3.379
    5    HG   LEU  66           HG       LEU  66  -2.049   6.656   0.417
    6   HD11  LEU  66          HD11      LEU  66  -1.163   8.762   2.379
    7   HD12  LEU  66          HD12      LEU  66  -0.531   8.609   0.743
    8   HD13  LEU  66          HD13      LEU  66  -2.237   8.973   1.000
    9   HD21  LEU  66          HD21      LEU  66  -0.089   6.357   2.685
   10   HD22  LEU  66          HD22      LEU  66  -0.654   5.080   1.610
   11   HD23  LEU  66          HD23      LEU  66   0.335   6.398   0.971

  No H/Q in entry =          11
  In of MODEL    6
    1    H    TYR  67           H        TYR  67  -1.579   3.435   2.199
    2    HA   TYR  67           HA       TYR  67  -0.861   3.364   5.049
    3    HB2  TYR  67           HB2      TYR  67  -1.570   1.118   3.248
    4    HB3  TYR  67           HB3      TYR  67  -0.219   0.870   4.347
    5    HD1  TYR  67           HD1      TYR  67  -3.804   0.950   4.021
    6    HD2  TYR  67           HD2      TYR  67  -0.603   1.160   6.825
    7    HE1  TYR  67           HE1      TYR  67  -5.327   0.290   5.817
    8    HE2  TYR  67           HE2      TYR  67  -2.146   0.536   8.635
    9    HH   TYR  67           HH       TYR  67  -5.045  -0.858   8.174

  No H/Q in entry =           9
  In of MODEL    6
    1    H    TYR  68           H        TYR  68   1.130   4.052   5.306
    2    HA   TYR  68           HA       TYR  68   3.105   3.363   3.231
    3    HB2  TYR  68           HB2      TYR  68   4.065   5.629   3.330
    4    HB3  TYR  68           HB3      TYR  68   2.382   5.674   2.790
    5    HD1  TYR  68           HD1      TYR  68   4.715   6.561   5.481
    6    HD2  TYR  68           HD2      TYR  68   0.667   6.664   4.182
    7    HE1  TYR  68           HE1      TYR  68   4.215   8.246   7.199
    8    HE2  TYR  68           HE2      TYR  68   0.154   8.358   5.886
    9    HH   TYR  68           HH       TYR  68   2.515  10.065   7.551

  No H/Q in entry =           9
  In of MODEL    6
    1    H    THR  69           H        THR  69   5.364   3.755   3.957
    2    HA   THR  69           HA       THR  69   5.792   3.910   6.820
    3    HB   THR  69           HB       THR  69   5.399   1.479   6.430
    4    HG1  THR  69           HG1      THR  69   7.070   2.472   7.943
    5   HG21  THR  69          HG21      THR  69   7.821   1.719   4.640
    6   HG22  THR  69          HG22      THR  69   7.178   0.195   5.243
    7   HG23  THR  69          HG23      THR  69   6.197   1.201   4.176

  No H/Q in entry =           7
  In of MODEL    6
    1    H    GLU  70           H        GLU  70   7.794   4.641   7.343
    2    HA   GLU  70           HA       GLU  70   9.449   5.671   5.206
    3    HB2  GLU  70           HB2      GLU  70   8.994   6.936   7.329
    4    HB3  GLU  70           HB3      GLU  70   9.856   5.687   8.213
    5    HG2  GLU  70           HG2      GLU  70  11.899   6.245   6.971
    6    HG3  GLU  70           HG3      GLU  70  11.021   7.533   6.147

  No H/Q in entry =           6
  In of MODEL    6
    1    H    PHE  71           H        PHE  71  11.308   4.724   4.487
    2    HA   PHE  71           HA       PHE  71  12.336   2.391   5.852
    3    HB2  PHE  71           HB2      PHE  71  12.032   0.847   3.994
    4    HB3  PHE  71           HB3      PHE  71  10.468   1.453   4.516
    5    HD1  PHE  71           HD1      PHE  71  11.376   0.133   1.841
    6    HD2  PHE  71           HD2      PHE  71  10.716   4.151   3.063
    7    HE1  PHE  71           HE1      PHE  71  10.842   0.732  -0.482
    8    HE2  PHE  71           HE2      PHE  71  10.193   4.771   0.728
    9    HZ   PHE  71           HZ       PHE  71  10.266   3.066  -1.054

  No H/Q in entry =           9
  In of MODEL    6
    1    H    THR  72           H        THR  72  14.354   1.604   4.788
    2    HA   THR  72           HA       THR  72  15.567   3.698   3.112
    3    HB   THR  72           HB       THR  72  17.008   1.891   5.063
    4    HG1  THR  72           HG1      THR  72  15.555   4.127   5.466
    5   HG21  THR  72          HG21      THR  72  18.399   2.690   3.194
    6   HG22  THR  72          HG22      THR  72  17.935   4.355   3.561
    7   HG23  THR  72          HG23      THR  72  18.887   3.424   4.721

  No H/Q in entry =           7
  In of MODEL    6
    1    HA   PRO  73           HA       PRO  73  15.189  -0.034   0.365
    2    HB2  PRO  73           HB2      PRO  73  15.958   1.623  -1.800
    3    HB3  PRO  73           HB3      PRO  73  14.308   1.139  -1.379
    4    HG2  PRO  73           HG2      PRO  73  15.769   3.660  -0.758
    5    HG3  PRO  73           HG3      PRO  73  14.043   3.418  -1.099
    6    HD2  PRO  73           HD2      PRO  73  14.913   3.866   1.388
    7    HD3  PRO  73           HD3      PRO  73  13.589   2.716   1.072

  No H/Q in entry =           7
  In of MODEL    6
    1    H    THR  74           H        THR  74  16.734  -1.298  -0.456
    2    HA   THR  74           HA       THR  74  19.477  -0.322  -0.576
    3    HB   THR  74           HB       THR  74  20.338  -2.242   0.635
    4    HG1  THR  74           HG1      THR  74  18.831  -3.674   1.683
    5   HG21  THR  74          HG21      THR  74  18.141  -0.907   2.214
    6   HG22  THR  74          HG22      THR  74  19.510  -1.785   2.895
    7   HG23  THR  74          HG23      THR  74  19.779  -0.291   1.996

  No H/Q in entry =           7
  In of MODEL    6
    1    H    GLU  75           H        GLU  75  20.889  -2.051  -1.605
    2    HA   GLU  75           HA       GLU  75  19.863  -2.972  -4.024
    3    HB2  GLU  75           HB2      GLU  75  22.280  -2.637  -3.378
    4    HB3  GLU  75           HB3      GLU  75  22.200  -4.152  -2.509
    5    HG2  GLU  75           HG2      GLU  75  21.553  -4.001  -5.429
    6    HG3  GLU  75           HG3      GLU  75  23.213  -4.115  -4.851

  No H/Q in entry =           6
  In of MODEL    6
    1    H    LYS  76           H        LYS  76  20.314  -4.685  -0.956
    2    HA   LYS  76           HA       LYS  76  19.692  -7.193  -2.176
    3    HB2  LYS  76           HB2      LYS  76  20.428  -6.459   0.647
    4    HB3  LYS  76           HB3      LYS  76  20.232  -8.106   0.069
    5    HG2  LYS  76           HG2      LYS  76  22.364  -8.116  -0.558
    6    HG3  LYS  76           HG3      LYS  76  22.029  -6.810  -1.692
    7    HD2  LYS  76           HD2      LYS  76  22.176  -5.445   0.652
    8    HD3  LYS  76           HD3      LYS  76  23.334  -6.748   0.934
    9    HE2  LYS  76           HE2      LYS  76  23.353  -4.682  -1.257
   10    HE3  LYS  76           HE3      LYS  76  24.583  -4.979  -0.030
   11    HZ1  LYS  76           HZ1      LYS  76  24.909  -7.201  -1.101
   12    HZ2  LYS  76           HZ2      LYS  76  23.907  -6.669  -2.369
   13    HZ3  LYS  76           HZ3      LYS  76  25.368  -5.870  -2.056

  No H/Q in entry =          13
  In of MODEL    6
    1    H    ASP  77           H        ASP  77  17.911  -4.893  -0.185
    2    HA   ASP  77           HA       ASP  77  16.111  -7.013   0.725
    3    HB2  ASP  77           HB2      ASP  77  16.945  -4.661   1.914
    4    HB3  ASP  77           HB3      ASP  77  15.302  -4.294   1.388

  No H/Q in entry =           4
  In of MODEL    6
    1    H    GLU  78           H        GLU  78  13.651  -6.159   0.791
    2    HA   GLU  78           HA       GLU  78  12.790  -4.893  -1.641
    3    HB2  GLU  78           HB2      GLU  78  13.230  -7.001  -2.668
    4    HB3  GLU  78           HB3      GLU  78  12.641  -7.876  -1.268
    5    HG2  GLU  78           HG2      GLU  78  10.607  -6.232  -2.630
    6    HG3  GLU  78           HG3      GLU  78  11.246  -7.598  -3.552

  No H/Q in entry =           6
  In of MODEL    6
    1    H    TYR  79           H        TYR  79  10.601  -4.314  -1.512
    2    HA   TYR  79           HA       TYR  79   9.180  -5.205   0.876
    3    HB2  TYR  79           HB2      TYR  79   8.859  -2.369  -0.080
    4    HB3  TYR  79           HB3      TYR  79   8.504  -3.052   1.507
    5    HD1  TYR  79           HD1      TYR  79   9.937  -2.587   3.255
    6    HD2  TYR  79           HD2      TYR  79  11.434  -2.367  -0.723
    7    HE1  TYR  79           HE1      TYR  79  12.073  -1.700   4.112
    8    HE2  TYR  79           HE2      TYR  79  13.575  -1.504   0.122
    9    HH   TYR  79           HH       TYR  79  14.477  -0.377   2.085

  No H/Q in entry =           9
  In of MODEL    6
    1    H    ALA  80           H        ALA  80   6.889  -5.081   0.792
    2    HA   ALA  80           HA       ALA  80   5.787  -5.050  -1.942
    3    HB1  ALA  80           HB1      ALA  80   6.538  -7.345  -1.477
    4    HB2  ALA  80           HB2      ALA  80   4.792  -7.229  -1.712
    5    HB3  ALA  80           HB3      ALA  80   5.450  -7.393  -0.081

  No H/Q in entry =           5
  In of MODEL    6
    1    H    CYS  81           H        CYS  81   3.350  -5.160  -1.972
    2    HA   CYS  81           HA       CYS  81   2.197  -4.035   0.501
    3    HB2  CYS  81           HB2      CYS  81   1.859  -3.385  -2.375
    4    HB3  CYS  81           HB3      CYS  81   0.397  -3.361  -1.395

  No H/Q in entry =           4
  In of MODEL    6
    1    H    ARG  82           H        ARG  82   0.544  -5.154   1.434
    2    HA   ARG  82           HA       ARG  82  -0.794  -7.281  -0.145
    3    HB2  ARG  82           HB2      ARG  82   0.733  -7.896   1.894
    4    HB3  ARG  82           HB3      ARG  82  -0.622  -7.294   2.843
    5    HG2  ARG  82           HG2      ARG  82  -2.080  -8.923   1.624
    6    HG3  ARG  82           HG3      ARG  82  -0.604  -9.624   0.957
    7    HD2  ARG  82           HD2      ARG  82  -1.332  -9.403   3.879
    8    HD3  ARG  82           HD3      ARG  82  -1.310 -10.875   2.915
    9    HE   ARG  82           HE       ARG  82   1.056  -9.342   3.754
   10   HH11  ARG  82          HH11      ARG  82  -0.404 -12.298   2.548
   11   HH12  ARG  82          HH12      ARG  82   1.029 -13.249   2.817
   12   HH21  ARG  82          HH21      ARG  82   2.925 -10.632   4.124
   13   HH22  ARG  82          HH22      ARG  82   2.892 -12.316   3.704

  No H/Q in entry =          13
  In of MODEL    6
    1    H    VAL  83           H        VAL  83  -3.032  -7.195  -0.216
    2    HA   VAL  83           HA       VAL  83  -4.344  -5.584   1.884
    3    HB   VAL  83           HB       VAL  83  -5.743  -4.389   0.529
    4   HG11  VAL  83          HG11      VAL  83  -3.256  -4.699  -1.101
    5   HG12  VAL  83          HG12      VAL  83  -4.421  -3.383  -1.244
    6   HG13  VAL  83          HG13      VAL  83  -3.511  -3.596   0.252
    7   HG21  VAL  83          HG21      VAL  83  -6.620  -6.271  -0.764
    8   HG22  VAL  83          HG22      VAL  83  -6.289  -4.868  -1.781
    9   HG23  VAL  83          HG23      VAL  83  -5.177  -6.236  -1.777

  No H/Q in entry =           9
  In of MODEL    6
    1    H    ASN  84           H        ASN  84  -6.264  -6.245   2.594
    2    HA   ASN  84           HA       ASN  84  -7.239  -8.842   1.622
    3    HB2  ASN  84           HB2      ASN  84  -7.595  -7.645   4.392
    4    HB3  ASN  84           HB3      ASN  84  -8.068  -9.257   3.889
    5   HD21  ASN  84          HD21      ASN  84  -5.287  -7.164   4.415
    6   HD22  ASN  84          HD22      ASN  84  -4.170  -8.437   4.777

  No H/Q in entry =           6
  In of MODEL    6
    1    H    HIS  85           H        HIS  85  -9.163  -8.642   0.472
    2    HA   HIS  85           HA       HIS  85 -11.314  -7.256   1.856
    3    HB2  HIS  85           HB2      HIS  85 -10.238  -5.815  -0.055
    4    HB3  HIS  85           HB3      HIS  85 -11.051  -6.952  -1.127
    5    HD2  HIS  85           HD2      HIS  85 -12.075  -4.368   1.683
    6    HE1  HIS  85           HE1      HIS  85 -15.279  -4.953  -1.024
    7    HE2  HIS  85           HE2      HIS  85 -14.392  -3.521   0.867

  No H/Q in entry =           7
  In of MODEL    6
    1    H    VAL  86           H        VAL  86 -13.438  -8.054   1.032
    2    HA   VAL  86           HA       VAL  86 -13.329 -10.887   0.878
    3    HB   VAL  86           HB       VAL  86 -15.760 -10.836   0.738
    4   HG11  VAL  86          HG11      VAL  86 -14.735 -10.531   2.924
    5   HG12  VAL  86          HG12      VAL  86 -14.681  -8.786   2.670
    6   HG13  VAL  86          HG13      VAL  86 -16.234  -9.611   2.809
    7   HG21  VAL  86          HG21      VAL  86 -15.995  -8.955  -0.826
    8   HG22  VAL  86          HG22      VAL  86 -17.007  -8.746   0.605
    9   HG23  VAL  86          HG23      VAL  86 -15.501  -7.839   0.446

  No H/Q in entry =           9
  In of MODEL    6
    1    H    THR  87           H        THR  87 -13.373  -8.406  -1.495
    2    HA   THR  87           HA       THR  87 -14.682  -9.790  -3.578
    3    HB   THR  87           HB       THR  87 -13.517  -8.054  -5.002
    4    HG1  THR  87           HG1      THR  87 -12.848  -6.604  -2.739
    5   HG21  THR  87          HG21      THR  87 -15.192  -7.259  -2.640
    6   HG22  THR  87          HG22      THR  87 -14.731  -6.112  -3.903
    7   HG23  THR  87          HG23      THR  87 -15.707  -7.527  -4.307

  No H/Q in entry =           7
  In of MODEL    6
    1    H    LEU  88           H        LEU  88 -11.308  -9.293  -2.715
    2    HA   LEU  88           HA       LEU  88 -10.221 -10.469  -5.043
    3    HB2  LEU  88           HB2      LEU  88  -9.025 -10.078  -2.296
    4    HB3  LEU  88           HB3      LEU  88  -8.114 -10.645  -3.684
    5    HG   LEU  88           HG       LEU  88  -9.385  -7.930  -3.321
    6   HD11  LEU  88          HD11      LEU  88  -7.207  -8.331  -2.190
    7   HD12  LEU  88          HD12      LEU  88  -6.512  -8.746  -3.767
    8   HD13  LEU  88          HD13      LEU  88  -7.116  -7.109  -3.476
    9   HD21  LEU  88          HD21      LEU  88  -8.006  -9.078  -5.745
   10   HD22  LEU  88          HD22      LEU  88  -9.718  -8.676  -5.616
   11   HD23  LEU  88          HD23      LEU  88  -8.504  -7.398  -5.543

  No H/Q in entry =          11
  In of MODEL    6
    1    H    SER  89           H        SER  89 -11.610 -11.728  -2.224
    2    HA   SER  89           HA       SER  89 -11.993 -13.735  -1.329
    3    HB2  SER  89           HB2      SER  89 -12.117 -15.702  -2.704
    4    HB3  SER  89           HB3      SER  89 -12.715 -14.338  -3.639
    5    HG   SER  89           HG       SER  89 -10.295 -14.341  -4.321

  No H/Q in entry =           5
  In of MODEL    6
    1    H    GLN  90           H        GLN  90  -8.890 -13.088  -2.652
    2    HA   GLN  90           HA       GLN  90  -7.625 -14.643  -0.554
    3    HB2  GLN  90           HB2      GLN  90  -6.407 -14.552  -3.305
    4    HB3  GLN  90           HB3      GLN  90  -6.065 -15.670  -1.998
    5    HG2  GLN  90           HG2      GLN  90  -8.605 -15.648  -3.606
    6    HG3  GLN  90           HG3      GLN  90  -7.223 -16.696  -3.926
    7   HE21  GLN  90          HE21      GLN  90  -9.971 -17.388  -3.257
    8   HE22  GLN  90          HE22      GLN  90  -9.883 -18.346  -1.808

  No H/Q in entry =           8
  In of MODEL    6
    1    HA   PRO  91           HA       PRO  91  -6.062 -10.391  -0.100
    2    HB2  PRO  91           HB2      PRO  91  -3.907 -12.043   1.179
    3    HB3  PRO  91           HB3      PRO  91  -4.607 -10.499   1.710
    4    HG2  PRO  91           HG2      PRO  91  -5.423 -12.702   2.877
    5    HG3  PRO  91           HG3      PRO  91  -6.634 -11.506   2.341
    6    HD2  PRO  91           HD2      PRO  91  -5.847 -14.128   1.072
    7    HD3  PRO  91           HD3      PRO  91  -7.474 -13.396   1.228

  No H/Q in entry =           7
  In of MODEL    6
    1    H    LYS  92           H        LYS  92  -4.365  -9.151  -0.944
    2    HA   LYS  92           HA       LYS  92  -3.153 -10.505  -3.255
    3    HB2  LYS  92           HB2      LYS  92  -5.036  -8.813  -3.572
    4    HB3  LYS  92           HB3      LYS  92  -3.858  -7.597  -3.093
    5    HG2  LYS  92           HG2      LYS  92  -3.980  -7.822  -5.519
    6    HG3  LYS  92           HG3      LYS  92  -2.394  -8.307  -4.890
    7    HD2  LYS  92           HD2      LYS  92  -2.644 -10.406  -5.581
    8    HD3  LYS  92           HD3      LYS  92  -4.265 -10.503  -4.899
    9    HE2  LYS  92           HE2      LYS  92  -4.421 -10.867  -7.258
   10    HE3  LYS  92           HE3      LYS  92  -5.143  -9.307  -6.858
   11    HZ1  LYS  92           HZ1      LYS  92  -2.393  -9.678  -7.919
   12    HZ2  LYS  92           HZ2      LYS  92  -3.738  -9.238  -8.853
   13    HZ3  LYS  92           HZ3      LYS  92  -3.171  -8.197  -7.645

  No H/Q in entry =          13
  In of MODEL    6
    1    H    ILE  93           H        ILE  93  -1.004 -10.395  -3.476
    2    HA   ILE  93           HA       ILE  93   0.430  -8.292  -1.986
    3    HB   ILE  93           HB       ILE  93   1.482 -10.964  -2.916
    4   HG12  ILE  93          HG12      ILE  93   1.958 -11.142  -0.365
    5   HG13  ILE  93          HG13      ILE  93   0.743  -9.885  -0.211
    6   HG21  ILE  93          HG21      ILE  93   3.174  -9.238  -3.156
    7   HG22  ILE  93          HG22      ILE  93   2.922  -8.745  -1.478
    8   HG23  ILE  93          HG23      ILE  93   3.583 -10.342  -1.836
    9   HD11  ILE  93          HD11      ILE  93   0.336 -12.591  -1.459
   10   HD12  ILE  93          HD12      ILE  93  -0.201 -12.093   0.144
   11   HD13  ILE  93          HD13      ILE  93  -0.890 -11.336  -1.292

  No H/Q in entry =          11
  In of MODEL    6
    1    H    VAL  94           H        VAL  94   1.444  -6.822  -3.118
    2    HA   VAL  94           HA       VAL  94   2.417  -7.492  -5.804
    3    HB   VAL  94           HB       VAL  94   1.180  -4.852  -4.983
    4   HG11  VAL  94          HG11      VAL  94   2.436  -5.686  -7.596
    5   HG12  VAL  94          HG12      VAL  94   1.557  -4.181  -7.320
    6   HG13  VAL  94          HG13      VAL  94   3.070  -4.490  -6.465
    7   HG21  VAL  94          HG21      VAL  94   0.274  -6.934  -6.970
    8   HG22  VAL  94          HG22      VAL  94  -0.489  -6.565  -5.422
    9   HG23  VAL  94          HG23      VAL  94  -0.488  -5.362  -6.714

  No H/Q in entry =           9
  In of MODEL    6
    1    H    LYS  95           H        LYS  95   4.476  -7.035  -6.107
    2    HA   LYS  95           HA       LYS  95   5.997  -6.079  -3.825
    3    HB2  LYS  95           HB2      LYS  95   6.772  -7.299  -6.440
    4    HB3  LYS  95           HB3      LYS  95   7.957  -6.581  -5.361
    5    HG2  LYS  95           HG2      LYS  95   7.354  -8.141  -3.614
    6    HG3  LYS  95           HG3      LYS  95   6.131  -8.856  -4.669
    7    HD2  LYS  95           HD2      LYS  95   7.665  -9.859  -6.012
    8    HD3  LYS  95           HD3      LYS  95   8.875  -8.608  -5.727
    9    HE2  LYS  95           HE2      LYS  95   9.261 -10.981  -4.779
   10    HE3  LYS  95           HE3      LYS  95   9.611  -9.582  -3.769
   11    HZ1  LYS  95           HZ1      LYS  95   6.992 -10.948  -3.645
   12    HZ2  LYS  95           HZ2      LYS  95   8.324 -11.502  -2.755
   13    HZ3  LYS  95           HZ3      LYS  95   7.728  -9.942  -2.494

  No H/Q in entry =          13
  In of MODEL    6
    1    H    TRP  96           H        TRP  96   7.292  -4.313  -3.773
    2    HA   TRP  96           HA       TRP  96   6.482  -2.122  -5.447
    3    HB2  TRP  96           HB2      TRP  96   6.829  -1.763  -3.049
    4    HB3  TRP  96           HB3      TRP  96   8.506  -2.289  -3.176
    5    HD1  TRP  96           HD1      TRP  96   6.240   0.590  -4.448
    6    HE1  TRP  96           HE1      TRP  96   7.707   2.694  -4.696
    7    HE3  TRP  96           HE3      TRP  96  10.782  -1.445  -3.295
    8    HZ2  TRP  96           HZ2      TRP  96  10.422   3.396  -4.442
    9    HZ3  TRP  96           HZ3      TRP  96  12.769   0.000  -3.321
   10    HH2  TRP  96           HH2      TRP  96  12.589   2.388  -3.888

  No H/Q in entry =          10
  In of MODEL    6
    1    H    ASP  97           H        ASP  97   7.599  -1.098  -6.971
    2    HA   ASP  97           HA       ASP  97  10.470  -1.441  -7.198
    3    HB2  ASP  97           HB2      ASP  97   9.107  -3.056  -8.884
    4    HB3  ASP  97           HB3      ASP  97   9.169  -1.571  -9.841

  No H/Q in entry =           4
  In of MODEL    6
    1    H    ARG  98           H        ARG  98  11.332   0.069  -8.859
    2    HA   ARG  98           HA       ARG  98   9.900   2.596  -8.475
    3    HB2  ARG  98           HB2      ARG  98  12.080   3.647  -8.536
    4    HB3  ARG  98           HB3      ARG  98  12.119   2.305  -7.415
    5    HG2  ARG  98           HG2      ARG  98  13.881   1.498  -8.441
    6    HG3  ARG  98           HG3      ARG  98  12.921   1.280  -9.903
    7    HD2  ARG  98           HD2      ARG  98  14.919   2.608 -10.344
    8    HD3  ARG  98           HD3      ARG  98  13.454   3.558 -10.596
    9    HE   ARG  98           HE       ARG  98  15.019   3.743  -8.100
   10   HH11  ARG  98          HH11      ARG  98  13.483   5.221 -10.894
   11   HH12  ARG  98          HH12      ARG  98  13.737   6.846 -10.319
   12   HH21  ARG  98          HH21      ARG  98  15.348   5.883  -7.356
   13   HH22  ARG  98          HH22      ARG  98  14.786   7.225  -8.314

  No H/Q in entry =          13
  In of MODEL    6
    1    H    ASP  99           H        ASP  99  11.237   0.460 -10.819
    2    HA   ASP  99           HA       ASP  99  10.254   2.022 -13.038
    3    HB2  ASP  99           HB2      ASP  99  13.145   2.011 -12.326
    4    HB3  ASP  99           HB3      ASP  99  12.724   1.906 -14.031

  No H/Q in entry =           4
  In of MODEL    6
    1    H    MET 100           H        MET 100  11.258  -0.800 -11.600
    2    HA   MET 100           HA       MET 100  11.949  -2.883 -12.303
    3    HB2  MET 100           HB2      MET 100   9.743  -2.334 -14.290
    4    HB3  MET 100           HB3      MET 100  10.221  -3.899 -13.629
    5    HG2  MET 100           HG2      MET 100   9.400  -3.387 -11.511
    6    HG3  MET 100           HG3      MET 100   9.312  -1.653 -11.863
    7    HE1  MET 100           HE1      MET 100   8.195  -4.651 -14.145
    8    HE2  MET 100           HE2      MET 100   7.737  -5.214 -12.536
    9    HE3  MET 100           HE3      MET 100   6.491  -4.819 -13.722

  No H/Q in entry =           9
  In of MODEL    7
    1    HA   ILE   2           HA       ILE   2 -21.372  -9.822  -4.105
    2    HB   ILE   2           HB       ILE   2 -20.411  -9.494  -6.499
    3   HG12  ILE   2          HG12      ILE   2 -22.274  -8.560  -8.011
    4   HG13  ILE   2          HG13      ILE   2 -22.881  -7.760  -6.569
    5   HG21  ILE   2          HG21      ILE   2 -23.229 -10.413  -5.985
    6   HG22  ILE   2          HG22      ILE   2 -22.281 -10.801  -7.422
    7   HG23  ILE   2          HG23      ILE   2 -21.755 -11.370  -5.836
    8   HD11  ILE   2          HD11      ILE   2 -20.152  -7.374  -7.772
    9   HD12  ILE   2          HD12      ILE   2 -21.522  -6.275  -7.921
   10   HD13  ILE   2          HD13      ILE   2 -20.783  -6.553  -6.343

  No H/Q in entry =          10
  In of MODEL    7
    1    H    GLN   3           H        GLN   3 -21.130  -6.522  -3.870
    2    HA   GLN   3           HA       GLN   3 -19.501  -5.174  -3.056
    3    HB2  GLN   3           HB2      GLN   3 -19.004  -7.474  -1.821
    4    HB3  GLN   3           HB3      GLN   3 -17.566  -7.435  -2.820
    5    HG2  GLN   3           HG2      GLN   3 -16.977  -6.498  -0.725
    6    HG3  GLN   3           HG3      GLN   3 -17.080  -5.160  -1.878
    7   HE21  GLN   3          HE21      GLN   3 -18.836  -3.715  -1.742
    8   HE22  GLN   3          HE22      GLN   3 -19.799  -3.602  -0.304

  No H/Q in entry =           8
  In of MODEL    7
    1    H    ARG   4           H        ARG   4 -17.045  -4.581  -3.480
    2    HA   ARG   4           HA       ARG   4 -16.447  -5.122  -6.307
    3    HB2  ARG   4           HB2      ARG   4 -17.287  -2.862  -6.179
    4    HB3  ARG   4           HB3      ARG   4 -16.263  -2.507  -4.794
    5    HG2  ARG   4           HG2      ARG   4 -14.359  -2.258  -6.050
    6    HG3  ARG   4           HG3      ARG   4 -14.935  -3.326  -7.338
    7    HD2  ARG   4           HD2      ARG   4 -14.835  -1.037  -8.136
    8    HD3  ARG   4           HD3      ARG   4 -16.517  -1.560  -8.066
    9    HE   ARG   4           HE       ARG   4 -15.391  -0.006  -5.839
   10   HH11  ARG   4          HH11      ARG   4 -17.653  -0.283  -8.500
   11   HH12  ARG   4          HH12      ARG   4 -18.468   1.215  -8.130
   12   HH21  ARG   4          HH21      ARG   4 -16.454   1.979  -5.373
   13   HH22  ARG   4          HH22      ARG   4 -17.768   2.502  -6.378

  No H/Q in entry =          13
  In of MODEL    7
    1    H    THR   5           H        THR   5 -14.339  -5.614  -6.776
    2    HA   THR   5           HA       THR   5 -12.749  -6.447  -4.548
    3    HB   THR   5           HB       THR   5 -11.212  -7.392  -6.124
    4    HG1  THR   5           HG1      THR   5 -12.203  -5.384  -7.768
    5   HG21  THR   5          HG21      THR   5 -14.080  -7.609  -6.990
    6   HG22  THR   5          HG22      THR   5 -12.796  -8.517  -7.792
    7   HG23  THR   5          HG23      THR   5 -13.102  -8.757  -6.078

  No H/Q in entry =           7
  In of MODEL    7
    1    HA   PRO   6           HA       PRO   6 -10.544  -2.521  -4.344
    2    HB2  PRO   6           HB2      PRO   6  -8.917  -3.714  -2.262
    3    HB3  PRO   6           HB3      PRO   6 -10.090  -2.404  -2.129
    4    HG2  PRO   6           HG2      PRO   6 -10.442  -4.912  -1.059
    5    HG3  PRO   6           HG3      PRO   6 -11.769  -3.800  -1.476
    6    HD2  PRO   6           HD2      PRO   6 -10.743  -6.202  -2.949
    7    HD3  PRO   6           HD3      PRO   6 -12.398  -5.559  -2.831

  No H/Q in entry =           7
  In of MODEL    7
    1    H    LYS   7           H        LYS   7  -8.861  -2.022  -5.591
    2    HA   LYS   7           HA       LYS   7  -7.084  -4.215  -6.382
    3    HB2  LYS   7           HB2      LYS   7  -8.434  -2.880  -8.090
    4    HB3  LYS   7           HB3      LYS   7  -7.367  -1.529  -7.735
    5    HG2  LYS   7           HG2      LYS   7  -5.451  -2.803  -8.488
    6    HG3  LYS   7           HG3      LYS   7  -6.473  -4.216  -8.764
    7    HD2  LYS   7           HD2      LYS   7  -6.636  -1.562 -10.191
    8    HD3  LYS   7           HD3      LYS   7  -6.050  -3.086 -10.863
    9    HE2  LYS   7           HE2      LYS   7  -8.860  -2.475  -9.947
   10    HE3  LYS   7           HE3      LYS   7  -8.315  -2.664 -11.613
   11    HZ1  LYS   7           HZ1      LYS   7  -7.713  -4.979 -11.062
   12    HZ2  LYS   7           HZ2      LYS   7  -8.391  -4.774  -9.521
   13    HZ3  LYS   7           HZ3      LYS   7  -9.372  -4.672 -10.897

  No H/Q in entry =          13
  In of MODEL    7
    1    H    ILE   8           H        ILE   8  -4.835  -3.807  -6.617
    2    HA   ILE   8           HA       ILE   8  -3.911  -2.151  -4.381
    3    HB   ILE   8           HB       ILE   8  -2.600  -4.489  -5.782
    4   HG12  ILE   8          HG12      ILE   8  -2.724  -5.628  -3.694
    5   HG13  ILE   8          HG13      ILE   8  -3.123  -4.152  -2.840
    6   HG21  ILE   8          HG21      ILE   8  -1.429  -2.621  -3.740
    7   HG22  ILE   8          HG22      ILE   8  -0.730  -4.174  -4.188
    8   HG23  ILE   8          HG23      ILE   8  -0.868  -2.891  -5.391
    9   HD11  ILE   8          HD11      ILE   8  -4.937  -5.466  -4.826
   10   HD12  ILE   8          HD12      ILE   8  -4.978  -5.764  -3.088
   11   HD13  ILE   8          HD13      ILE   8  -5.322  -4.148  -3.715

  No H/Q in entry =          11
  In of MODEL    7
    1    H    GLN   9           H        GLN   9  -3.148  -0.238  -4.857
    2    HA   GLN   9           HA       GLN   9  -1.358  -0.011  -7.183
    3    HB2  GLN   9           HB2      GLN   9  -3.223   2.010  -5.948
    4    HB3  GLN   9           HB3      GLN   9  -1.871   2.504  -6.973
    5    HG2  GLN   9           HG2      GLN   9  -3.704   2.485  -8.396
    6    HG3  GLN   9           HG3      GLN   9  -2.908   0.949  -8.726
    7   HE21  GLN   9          HE21      GLN   9  -4.792   1.517  -5.841
    8   HE22  GLN   9          HE22      GLN   9  -6.101   0.460  -6.261

  No H/Q in entry =           8
  In of MODEL    7
    1    H    VAL  10           H        VAL  10   0.693   0.148  -6.574
    2    HA   VAL  10           HA       VAL  10   1.328   1.582  -4.101
    3    HB   VAL  10           HB       VAL  10   1.481  -0.629  -3.297
    4   HG11  VAL  10          HG11      VAL  10   1.299  -1.766  -5.459
    5   HG12  VAL  10          HG12      VAL  10   3.001  -1.421  -5.773
    6   HG13  VAL  10          HG13      VAL  10   2.545  -2.470  -4.428
    7   HG21  VAL  10          HG21      VAL  10   4.250   0.171  -4.195
    8   HG22  VAL  10          HG22      VAL  10   3.449   0.640  -2.694
    9   HG23  VAL  10          HG23      VAL  10   3.898  -1.046  -2.968

  No H/Q in entry =           9
  In of MODEL    7
    1    H    TYR  11           H        TYR  11   2.947   2.931  -4.243
    2    HA   TYR  11           HA       TYR  11   5.091   2.676  -6.095
    3    HB2  TYR  11           HB2      TYR  11   4.573   4.787  -7.372
    4    HB3  TYR  11           HB3      TYR  11   3.514   3.437  -7.744
    5    HD1  TYR  11           HD1      TYR  11   3.710   6.636  -5.866
    6    HD2  TYR  11           HD2      TYR  11   1.187   3.618  -7.489
    7    HE1  TYR  11           HE1      TYR  11   1.748   8.067  -5.470
    8    HE2  TYR  11           HE2      TYR  11  -0.777   5.039  -7.090
    9    HH   TYR  11           HH       TYR  11  -1.517   6.879  -5.892

  No H/Q in entry =           9
  In of MODEL    7
    1    H    SER  12           H        SER  12   6.467   4.714  -6.033
    2    HA   SER  12           HA       SER  12   6.928   5.334  -3.276
    3    HB2  SER  12           HB2      SER  12   8.690   6.902  -4.599
    4    HB3  SER  12           HB3      SER  12   8.933   5.154  -4.492
    5    HG   SER  12           HG       SER  12   9.102   5.675  -6.636

  No H/Q in entry =           5
  In of MODEL    7
    1    H    ARG  13           H        ARG  13   6.377   7.141  -2.155
    2    HA   ARG  13           HA       ARG  13   4.384   8.858  -3.249
    3    HB2  ARG  13           HB2      ARG  13   4.750   8.127  -0.786
    4    HB3  ARG  13           HB3      ARG  13   5.969   9.379  -0.719
    5    HG2  ARG  13           HG2      ARG  13   3.047   9.867  -1.298
    6    HG3  ARG  13           HG3      ARG  13   3.828  10.049   0.264
    7    HD2  ARG  13           HD2      ARG  13   4.530  11.589  -2.226
    8    HD3  ARG  13           HD3      ARG  13   3.571  12.190  -0.882
    9    HE   ARG  13           HE       ARG  13   6.410  12.032  -1.027
   10   HH11  ARG  13          HH11      ARG  13   3.738  11.809   1.241
   11   HH12  ARG  13          HH12      ARG  13   4.667  12.443   2.571
   12   HH21  ARG  13          HH21      ARG  13   7.611  12.871   0.723
   13   HH22  ARG  13          HH22      ARG  13   6.856  13.049   2.274

  No H/Q in entry =          13
  In of MODEL    7
    1    H    HIS  14           H        HIS  14   7.748   9.424  -2.284
    2    HA   HIS  14           HA       HIS  14   7.841  11.590  -4.256
    3    HB2  HIS  14           HB2      HIS  14   8.871  11.502  -1.452
    4    HB3  HIS  14           HB3      HIS  14   9.844  12.358  -2.643
    5    HD2  HIS  14           HD2      HIS  14   6.573  13.216  -3.925
    6    HE1  HIS  14           HE1      HIS  14   7.075  15.857  -0.659
    7    HE2  HIS  14           HE2      HIS  14   5.938  15.510  -2.896

  No H/Q in entry =           7
  In of MODEL    7
    1    HA   PRO  15           HA       PRO  15  11.287   9.835  -6.402
    2    HB2  PRO  15           HB2      PRO  15  13.620  11.114  -5.463
    3    HB3  PRO  15           HB3      PRO  15  12.649  11.574  -6.875
    4    HG2  PRO  15           HG2      PRO  15  12.623  12.722  -4.092
    5    HG3  PRO  15           HG3      PRO  15  12.327  13.526  -5.670
    6    HD2  PRO  15           HD2      PRO  15  10.301  12.928  -3.996
    7    HD3  PRO  15           HD3      PRO  15  10.115  12.798  -5.770

  No H/Q in entry =           7
  In of MODEL    7
    1    H    ALA  16           H        ALA  16  11.890   7.843  -6.007
    2    HA   ALA  16           HA       ALA  16  12.672   6.952  -3.393
    3    HB1  ALA  16           HB1      ALA  16  11.254   5.581  -4.858
    4    HB2  ALA  16           HB2      ALA  16  12.592   5.436  -5.997
    5    HB3  ALA  16           HB3      ALA  16  12.731   4.739  -4.384

  No H/Q in entry =           5
  In of MODEL    7
    1    H    GLU  17           H        GLU  17  14.696   7.319  -2.703
    2    HA   GLU  17           HA       GLU  17  16.887   7.007  -4.629
    3    HB2  GLU  17           HB2      GLU  17  16.555   9.239  -3.448
    4    HB3  GLU  17           HB3      GLU  17  17.028   8.415  -1.962
    5    HG2  GLU  17           HG2      GLU  17  18.930   9.551  -2.897
    6    HG3  GLU  17           HG3      GLU  17  19.164   7.807  -3.014

  No H/Q in entry =           6
  In of MODEL    7
    1    H    ASN  18           H        ASN  18  18.140   5.279  -4.378
    2    HA   ASN  18           HA       ASN  18  17.651   3.498  -2.165
    3    HB2  ASN  18           HB2      ASN  18  19.660   3.161  -4.418
    4    HB3  ASN  18           HB3      ASN  18  19.264   1.960  -3.212
    5   HD21  ASN  18          HD21      ASN  18  19.207   1.352  -5.836
    6   HD22  ASN  18          HD22      ASN  18  17.577   0.993  -6.336

  No H/Q in entry =           6
  In of MODEL    7
    1    H    GLY  19           H        GLY  19  18.935   3.111  -0.440
    2    HA2  GLY  19           HA2      GLY  19  21.585   4.261  -0.251
    3    HA3  GLY  19           HA3      GLY  19  20.696   3.433   1.040

  No H/Q in entry =           3
  In of MODEL    7
    1    H    LYS  20           H        LYS  20  18.335   5.080   0.547
    2    HA   LYS  20           HA       LYS  20  19.055   7.450   2.055
    3    HB2  LYS  20           HB2      LYS  20  19.312   7.804  -0.530
    4    HB3  LYS  20           HB3      LYS  20  17.559   7.850  -0.512
    5    HG2  LYS  20           HG2      LYS  20  18.378  10.079  -0.443
    6    HG3  LYS  20           HG3      LYS  20  17.662   9.704   1.126
    7    HD2  LYS  20           HD2      LYS  20  19.881   9.309   2.063
    8    HD3  LYS  20           HD3      LYS  20  20.614   9.606   0.487
    9    HE2  LYS  20           HE2      LYS  20  19.023  11.616   2.078
   10    HE3  LYS  20           HE3      LYS  20  20.783  11.541   2.007
   11    HZ1  LYS  20           HZ1      LYS  20  20.612  11.898  -0.414
   12    HZ2  LYS  20           HZ2      LYS  20  18.938  12.102  -0.256
   13    HZ3  LYS  20           HZ3      LYS  20  19.999  13.194   0.493

  No H/Q in entry =          13
  In of MODEL    7
    1    H    SER  21           H        SER  21  17.201   8.466   2.961
    2    HA   SER  21           HA       SER  21  15.081   6.652   3.519
    3    HB2  SER  21           HB2      SER  21  15.819   8.198   5.223
    4    HB3  SER  21           HB3      SER  21  15.464   9.573   4.186
    5    HG   SER  21           HG       SER  21  13.561   7.713   5.227

  No H/Q in entry =           5
  In of MODEL    7
    1    H    ASN  22           H        ASN  22  12.995   6.672   2.867
    2    HA   ASN  22           HA       ASN  22  12.093   8.621   0.868
    3    HB2  ASN  22           HB2      ASN  22  13.240   6.541  -0.245
    4    HB3  ASN  22           HB3      ASN  22  11.866   5.642   0.370
    5   HD21  ASN  22          HD21      ASN  22  11.472   8.945  -0.772
    6   HD22  ASN  22          HD22      ASN  22  10.629   8.511  -2.222

  No H/Q in entry =           6
  In of MODEL    7
    1    H    PHE  23           H        PHE  23   9.671   7.934   0.269
    2    HA   PHE  23           HA       PHE  23   8.366   6.932   2.706
    3    HB2  PHE  23           HB2      PHE  23   7.654   9.316   1.013
    4    HB3  PHE  23           HB3      PHE  23   6.443   8.481   1.970
    5    HD1  PHE  23           HD1      PHE  23   6.013   9.185   4.094
    6    HD2  PHE  23           HD2      PHE  23   9.762  10.152   2.335
    7    HE1  PHE  23           HE1      PHE  23   6.539  10.620   6.023
    8    HE2  PHE  23           HE2      PHE  23  10.300  11.585   4.264
    9    HZ   PHE  23           HZ       PHE  23   8.691  11.816   6.112

  No H/Q in entry =           9
  In of MODEL    7
    1    H    LEU  24           H        LEU  24   7.170   5.178   2.270
    2    HA   LEU  24           HA       LEU  24   6.656   4.412  -0.479
    3    HB2  LEU  24           HB2      LEU  24   6.980   3.057   1.926
    4    HB3  LEU  24           HB3      LEU  24   5.283   2.845   1.550
    5    HG   LEU  24           HG       LEU  24   7.660   1.978  -0.120
    6   HD11  LEU  24          HD11      LEU  24   7.100   0.562   1.796
    7   HD12  LEU  24          HD12      LEU  24   5.447   0.418   1.204
    8   HD13  LEU  24          HD13      LEU  24   6.780  -0.255   0.265
    9   HD21  LEU  24          HD21      LEU  24   4.731   1.964  -0.830
   10   HD22  LEU  24          HD22      LEU  24   6.075   2.663  -1.740
   11   HD23  LEU  24          HD23      LEU  24   5.922   0.913  -1.596

  No H/Q in entry =          11
  In of MODEL    7
    1    H    ASN  25           H        ASN  25   4.523   3.945  -1.241
    2    HA   ASN  25           HA       ASN  25   2.336   5.094   0.312
    3    HB2  ASN  25           HB2      ASN  25   2.976   6.950  -1.075
    4    HB3  ASN  25           HB3      ASN  25   3.058   5.929  -2.508
    5   HD21  ASN  25          HD21      ASN  25   1.151   5.264  -3.485
    6   HD22  ASN  25          HD22      ASN  25  -0.351   6.063  -3.188

  No H/Q in entry =           6
  In of MODEL    7
    1    H    CYS  26           H        CYS  26   0.713   3.719   0.375
    2    HA   CYS  26           HA       CYS  26   0.338   1.837  -1.853
    3    HB2  CYS  26           HB2      CYS  26   1.329   0.943   0.390
    4    HB3  CYS  26           HB3      CYS  26  -0.334   1.096   0.971

  No H/Q in entry =           4
  In of MODEL    7
    1    H    TYR  27           H        TYR  27  -1.605   2.005  -2.740
    2    HA   TYR  27           HA       TYR  27  -3.654   3.554  -1.285
    3    HB2  TYR  27           HB2      TYR  27  -2.404   3.956  -3.892
    4    HB3  TYR  27           HB3      TYR  27  -4.151   3.859  -4.005
    5    HD1  TYR  27           HD1      TYR  27  -5.380   5.406  -2.109
    6    HD2  TYR  27           HD2      TYR  27  -1.492   6.050  -3.714
    7    HE1  TYR  27           HE1      TYR  27  -5.583   7.810  -1.648
    8    HE2  TYR  27           HE2      TYR  27  -1.679   8.442  -3.225
    9    HH   TYR  27           HH       TYR  27  -3.623  10.098  -2.993

  No H/Q in entry =           9
  In of MODEL    7
    1    H    VAL  28           H        VAL  28  -4.993   1.906  -0.664
    2    HA   VAL  28           HA       VAL  28  -6.055   0.222  -2.845
    3    HB   VAL  28           HB       VAL  28  -6.565  -0.452   0.023
    4   HG11  VAL  28          HG11      VAL  28  -6.182  -2.073  -2.483
    5   HG12  VAL  28          HG12      VAL  28  -6.586  -2.728  -0.894
    6   HG13  VAL  28          HG13      VAL  28  -7.721  -1.664  -1.724
    7   HG21  VAL  28          HG21      VAL  28  -4.003  -1.063  -1.442
    8   HG22  VAL  28          HG22      VAL  28  -4.184  -0.172   0.072
    9   HG23  VAL  28          HG23      VAL  28  -4.541  -1.903   0.017

  No H/Q in entry =           9
  In of MODEL    7
    1    H    SER  29           H        SER  29  -7.746   1.390  -3.583
    2    HA   SER  29           HA       SER  29  -9.860   2.071  -1.684
    3    HB2  SER  29           HB2      SER  29  -8.707   4.075  -3.632
    4    HB3  SER  29           HB3      SER  29 -10.048   4.350  -2.517
    5    HG   SER  29           HG       SER  29  -7.899   3.398  -1.192

  No H/Q in entry =           5
  In of MODEL    7
    1    H    GLY  30           H        GLY  30 -11.852   2.859  -2.854
    2    HA2  GLY  30           HA2      GLY  30 -12.109   1.703  -5.538
    3    HA3  GLY  30           HA3      GLY  30 -13.250   2.809  -4.779

  No H/Q in entry =           3
  In of MODEL    7
    1    H    PHE  31           H        PHE  31 -13.148   1.302  -2.250
    2    HA   PHE  31           HA       PHE  31 -14.701  -1.068  -3.052
    3    HB2  PHE  31           HB2      PHE  31 -13.676  -2.294  -1.170
    4    HB3  PHE  31           HB3      PHE  31 -12.425  -1.702  -2.286
    5    HD1  PHE  31           HD1      PHE  31 -10.868  -0.007  -1.623
    6    HD2  PHE  31           HD2      PHE  31 -13.987  -1.205   1.008
    7    HE1  PHE  31           HE1      PHE  31  -9.792   1.223   0.214
    8    HE2  PHE  31           HE2      PHE  31 -12.908   0.008   2.847
    9    HZ   PHE  31           HZ       PHE  31 -10.817   1.231   2.450

  No H/Q in entry =           9
  In of MODEL    7
    1    H    HIS  32           H        HIS  32 -15.748  -1.978  -0.903
    2    HA   HIS  32           HA       HIS  32 -16.413  -0.008   1.094
    3    HB2  HIS  32           HB2      HIS  32 -18.688  -1.249  -0.542
    4    HB3  HIS  32           HB3      HIS  32 -18.887  -0.350   0.950
    5    HD2  HIS  32           HD2      HIS  32 -18.271   2.442   0.740
    6    HE1  HIS  32           HE1      HIS  32 -18.786   2.422  -3.462
    7    HE2  HIS  32           HE2      HIS  32 -18.757   3.871  -1.380

  No H/Q in entry =           7
  In of MODEL    7
    1    HA   PRO  33           HA       PRO  33 -18.650  -0.389   2.500
    2    HB2  PRO  33           HB2      PRO  33 -19.114  -1.332   5.108
    3    HB3  PRO  33           HB3      PRO  33 -20.168  -1.531   3.708
    4    HG2  PRO  33           HG2      PRO  33 -18.830  -3.577   5.069
    5    HG3  PRO  33           HG3      PRO  33 -19.588  -3.706   3.472
    6    HD2  PRO  33           HD2      PRO  33 -16.719  -3.279   4.186
    7    HD3  PRO  33           HD3      PRO  33 -17.427  -4.215   2.850

  No H/Q in entry =           7
  In of MODEL    7
    1    H    SER  34           H        SER  34 -16.367   0.611   2.451
    2    HA   SER  34           HA       SER  34 -15.310   2.500   3.343
    3    HB2  SER  34           HB2      SER  34 -16.202   3.643   5.157
    4    HB3  SER  34           HB3      SER  34 -17.600   2.744   4.563
    5    HG   SER  34           HG       SER  34 -15.930   1.998   6.735

  No H/Q in entry =           5
  In of MODEL    7
    1    H    ASP  35           H        ASP  35 -14.505  -0.473   4.007
    2    HA   ASP  35           HA       ASP  35 -12.194   0.405   5.483
    3    HB2  ASP  35           HB2      ASP  35 -13.446   0.028   7.427
    4    HB3  ASP  35           HB3      ASP  35 -14.144  -1.467   6.802

  No H/Q in entry =           4
  In of MODEL    7
    1    H    ILE  36           H        ILE  36 -10.467  -0.672   5.033
    2    HA   ILE  36           HA       ILE  36 -10.558  -3.491   4.305
    3    HB   ILE  36           HB       ILE  36 -10.500  -2.057   2.138
    4   HG12  ILE  36          HG12      ILE  36  -8.613  -4.275   2.871
    5   HG13  ILE  36          HG13      ILE  36 -10.032  -4.326   1.833
    6   HG21  ILE  36          HG21      ILE  36  -7.661  -1.679   3.095
    7   HG22  ILE  36          HG22      ILE  36  -8.258  -1.272   1.485
    8   HG23  ILE  36          HG23      ILE  36  -8.862  -0.404   2.895
    9   HD11  ILE  36          HD11      ILE  36  -7.417  -3.008   1.132
   10   HD12  ILE  36          HD12      ILE  36  -7.932  -4.606   0.595
   11   HD13  ILE  36          HD13      ILE  36  -8.822  -3.174   0.076

  No H/Q in entry =          11
  In of MODEL    7
    1    H    GLU  37           H        GLU  37  -8.449  -4.542   4.626
    2    HA   GLU  37           HA       GLU  37  -6.688  -2.953   6.340
    3    HB2  GLU  37           HB2      GLU  37  -8.032  -5.089   7.142
    4    HB3  GLU  37           HB3      GLU  37  -6.801  -5.958   6.248
    5    HG2  GLU  37           HG2      GLU  37  -6.050  -4.004   8.388
    6    HG3  GLU  37           HG3      GLU  37  -6.523  -5.655   8.771

  No H/Q in entry =           6
  In of MODEL    7
    1    H    VAL  38           H        VAL  38  -4.709  -2.621   5.505
    2    HA   VAL  38           HA       VAL  38  -3.671  -4.499   3.541
    3    HB   VAL  38           HB       VAL  38  -4.010  -3.134   1.825
    4   HG11  VAL  38          HG11      VAL  38  -4.547  -0.913   3.772
    5   HG12  VAL  38          HG12      VAL  38  -4.818  -0.833   2.030
    6   HG13  VAL  38          HG13      VAL  38  -5.733  -1.977   3.013
    7   HG21  VAL  38          HG21      VAL  38  -1.988  -1.366   3.200
    8   HG22  VAL  38          HG22      VAL  38  -1.658  -2.641   2.035
    9   HG23  VAL  38          HG23      VAL  38  -2.497  -1.176   1.519

  No H/Q in entry =           9
  In of MODEL    7
    1    H    ASP  39           H        ASP  39  -1.550  -4.803   3.587
    2    HA   ASP  39           HA       ASP  39  -0.044  -3.376   5.663
    3    HB2  ASP  39           HB2      ASP  39  -0.462  -5.261   6.880
    4    HB3  ASP  39           HB3      ASP  39  -0.661  -6.276   5.470

  No H/Q in entry =           4
  In of MODEL    7
    1    H    LEU  40           H        LEU  40   2.216  -3.375   5.409
    2    HA   LEU  40           HA       LEU  40   3.006  -3.621   2.592
    3    HB2  LEU  40           HB2      LEU  40   4.396  -2.032   4.736
    4    HB3  LEU  40           HB3      LEU  40   4.660  -1.943   3.006
    5    HG   LEU  40           HG       LEU  40   2.216  -1.007   4.497
    6   HD11  LEU  40          HD11      LEU  40   4.398   0.482   3.048
    7   HD12  LEU  40          HD12      LEU  40   2.938   1.213   3.717
    8   HD13  LEU  40          HD13      LEU  40   4.115   0.455   4.790
    9   HD21  LEU  40          HD21      LEU  40   2.808  -1.017   1.549
   10   HD22  LEU  40          HD22      LEU  40   1.476  -1.824   2.381
   11   HD23  LEU  40          HD23      LEU  40   1.532  -0.059   2.306

  No H/Q in entry =          11
  In of MODEL    7
    1    H    LEU  41           H        LEU  41   4.787  -4.759   2.011
    2    HA   LEU  41           HA       LEU  41   5.947  -6.471   4.102
    3    HB2  LEU  41           HB2      LEU  41   5.901  -7.232   1.234
    4    HB3  LEU  41           HB3      LEU  41   5.998  -8.253   2.639
    5    HG   LEU  41           HG       LEU  41   3.530  -6.784   1.738
    6   HD11  LEU  41          HD11      LEU  41   4.171  -8.576   0.217
    7   HD12  LEU  41          HD12      LEU  41   4.267  -9.702   1.571
    8   HD13  LEU  41          HD13      LEU  41   2.715  -9.000   1.117
    9   HD21  LEU  41          HD21      LEU  41   3.626  -7.092   4.155
   10   HD22  LEU  41          HD22      LEU  41   2.395  -8.123   3.428
   11   HD23  LEU  41          HD23      LEU  41   3.942  -8.814   3.925

  No H/Q in entry =          11
  In of MODEL    7
    1    H    LYS  42           H        LYS  42   7.850  -7.616   3.216
    2    HA   LYS  42           HA       LYS  42   9.693  -6.072   1.628
    3    HB2  LYS  42           HB2      LYS  42  10.550  -6.939   4.366
    4    HB3  LYS  42           HB3      LYS  42  11.457  -5.964   3.231
    5    HG2  LYS  42           HG2      LYS  42   9.807  -4.131   3.486
    6    HG3  LYS  42           HG3      LYS  42   8.896  -5.134   4.591
    7    HD2  LYS  42           HD2      LYS  42  10.133  -3.793   6.039
    8    HD3  LYS  42           HD3      LYS  42  11.087  -5.272   5.959
    9    HE2  LYS  42           HE2      LYS  42  11.618  -2.768   4.362
   10    HE3  LYS  42           HE3      LYS  42  12.468  -3.233   5.830
   11    HZ1  LYS  42           HZ1      LYS  42  13.106  -5.321   4.586
   12    HZ2  LYS  42           HZ2      LYS  42  12.557  -4.549   3.180
   13    HZ3  LYS  42           HZ3      LYS  42  13.835  -3.881   4.059

  No H/Q in entry =          13
  In of MODEL    7
    1    H    ASN  43           H        ASN  43  10.046  -7.609   0.233
    2    HA   ASN  43           HA       ASN  43  10.776  -9.526  -0.749
    3    HB2  ASN  43           HB2      ASN  43  12.434  -9.227   1.382
    4    HB3  ASN  43           HB3      ASN  43  11.731 -10.798   1.732
    5   HD21  ASN  43          HD21      ASN  43  13.855  -8.996  -0.279
    6   HD22  ASN  43          HD22      ASN  43  14.458 -10.328  -1.208

  No H/Q in entry =           6
  In of MODEL    7
    1    H    GLY  44           H        GLY  44   8.695  -9.546   1.910
    2    HA2  GLY  44           HA2      GLY  44   7.772 -12.283   1.480
    3    HA3  GLY  44           HA3      GLY  44   6.632 -10.970   1.138

  No H/Q in entry =           3
  In of MODEL    7
    1    H    GLU  45           H        GLU  45   8.603  -9.873   3.513
    2    HA   GLU  45           HA       GLU  45   7.152 -11.132   5.720
    3    HB2  GLU  45           HB2      GLU  45   9.693  -9.515   5.700
    4    HB3  GLU  45           HB3      GLU  45   8.972 -10.245   7.130
    5    HG2  GLU  45           HG2      GLU  45   9.189 -12.459   5.905
    6    HG3  GLU  45           HG3      GLU  45  10.223 -11.597   4.764

  No H/Q in entry =           6
  In of MODEL    7
    1    H    ARG  46           H        ARG  46   6.075  -9.919   7.252
    2    HA   ARG  46           HA       ARG  46   4.886  -7.531   6.289
    3    HB2  ARG  46           HB2      ARG  46   3.782  -9.267   7.783
    4    HB3  ARG  46           HB3      ARG  46   4.766  -8.638   9.110
    5    HG2  ARG  46           HG2      ARG  46   3.653  -6.571   9.093
    6    HG3  ARG  46           HG3      ARG  46   2.956  -6.854   7.509
    7    HD2  ARG  46           HD2      ARG  46   1.537  -8.688   8.552
    8    HD3  ARG  46           HD3      ARG  46   2.137  -8.126  10.125
    9    HE   ARG  46           HE       ARG  46   1.199  -5.908   8.739
   10   HH11  ARG  46          HH11      ARG  46  -0.100  -8.804  10.233
   11   HH12  ARG  46          HH12      ARG  46  -1.732  -8.193  10.290
   12   HH21  ARG  46          HH21      ARG  46  -0.932  -5.117   8.792
   13   HH22  ARG  46          HH22      ARG  46  -2.211  -6.097   9.429

  No H/Q in entry =          13
  In of MODEL    7
    1    H    ILE  47           H        ILE  47   5.172  -5.427   6.816
    2    HA   ILE  47           HA       ILE  47   7.468  -4.670   8.459
    3    HB   ILE  47           HB       ILE  47   5.576  -2.930   6.849
    4   HG12  ILE  47          HG12      ILE  47   8.417  -3.682   6.184
    5   HG13  ILE  47          HG13      ILE  47   7.017  -4.454   5.449
    6   HG21  ILE  47          HG21      ILE  47   6.621  -1.752   8.717
    7   HG22  ILE  47          HG22      ILE  47   8.213  -2.254   8.149
    8   HG23  ILE  47          HG23      ILE  47   7.231  -1.165   7.169
    9   HD11  ILE  47          HD11      ILE  47   7.455  -1.488   5.344
   10   HD12  ILE  47          HD12      ILE  47   8.113  -2.581   4.132
   11   HD13  ILE  47          HD13      ILE  47   6.370  -2.472   4.360

  No H/Q in entry =          11
  In of MODEL    7
    1    H    GLU  48           H        GLU  48   7.242  -3.560  10.396
    2    HA   GLU  48           HA       GLU  48   4.525  -3.429  11.446
    3    HB2  GLU  48           HB2      GLU  48   5.798  -2.946  13.645
    4    HB3  GLU  48           HB3      GLU  48   5.775  -4.581  13.011
    5    HG2  GLU  48           HG2      GLU  48   8.030  -2.696  12.508
    6    HG3  GLU  48           HG3      GLU  48   7.949  -3.692  13.944

  No H/Q in entry =           6
  In of MODEL    7
    1    H    LYS  49           H        LYS  49   7.342  -1.283  10.962
    2    HA   LYS  49           HA       LYS  49   6.403   0.998  12.155
    3    HB2  LYS  49           HB2      LYS  49   8.061   0.770   9.651
    4    HB3  LYS  49           HB3      LYS  49   7.928   2.205  10.659
    5    HG2  LYS  49           HG2      LYS  49   8.686  -0.210  12.097
    6    HG3  LYS  49           HG3      LYS  49   9.847   0.312  10.880
    7    HD2  LYS  49           HD2      LYS  49  10.072   2.439  11.928
    8    HD3  LYS  49           HD3      LYS  49   8.674   2.148  12.960
    9    HE2  LYS  49           HE2      LYS  49   9.939   0.319  14.073
   10    HE3  LYS  49           HE3      LYS  49  11.352   0.744  13.107
   11    HZ1  LYS  49           HZ1      LYS  49  11.277   2.969  14.097
   12    HZ2  LYS  49           HZ2      LYS  49   9.978   2.488  15.080
   13    HZ3  LYS  49           HZ3      LYS  49  11.496   1.754  15.261

  No H/Q in entry =          13
  In of MODEL    7
    1    H    VAL  50           H        VAL  50   4.880  -0.483   9.576
    2    HA   VAL  50           HA       VAL  50   4.082   1.644   7.948
    3    HB   VAL  50           HB       VAL  50   2.464  -0.803   8.667
    4   HG11  VAL  50          HG11      VAL  50   1.170   1.015   7.595
    5   HG12  VAL  50          HG12      VAL  50   2.309   0.992   6.243
    6   HG13  VAL  50          HG13      VAL  50   1.305  -0.422   6.571
    7   HG21  VAL  50          HG21      VAL  50   4.693  -1.357   7.830
    8   HG22  VAL  50          HG22      VAL  50   3.444  -1.795   6.670
    9   HG23  VAL  50          HG23      VAL  50   4.413  -0.347   6.413

  No H/Q in entry =           9
  In of MODEL    7
    1    H    GLU  51           H        GLU  51   2.605   3.222   8.112
    2    HA   GLU  51           HA       GLU  51   0.703   3.133  10.348
    3    HB2  GLU  51           HB2      GLU  51   2.173   5.604   9.404
    4    HB3  GLU  51           HB3      GLU  51   0.949   5.543  10.667
    5    HG2  GLU  51           HG2      GLU  51   2.422   4.132  12.014
    6    HG3  GLU  51           HG3      GLU  51   3.658   4.241  10.759

  No H/Q in entry =           6
  In of MODEL    7
    1    H    HIS  52           H        HIS  52  -1.282   3.947   9.925
    2    HA   HIS  52           HA       HIS  52  -1.815   4.779   7.152
    3    HB2  HIS  52           HB2      HIS  52  -4.161   3.970   7.521
    4    HB3  HIS  52           HB3      HIS  52  -2.945   2.706   7.511
    5    HD2  HIS  52           HD2      HIS  52  -2.235   1.906  10.292
    6    HE1  HIS  52           HE1      HIS  52  -6.184   2.769  11.534
    7    HE2  HIS  52           HE2      HIS  52  -3.965   1.759  12.218

  No H/Q in entry =           7
  In of MODEL    7
    1    H    SER  53           H        SER  53  -2.844   6.633   6.780
    2    HA   SER  53           HA       SER  53  -3.168   8.552   8.862
    3    HB2  SER  53           HB2      SER  53  -2.665   8.953   6.360
    4    HB3  SER  53           HB3      SER  53  -4.392   8.733   6.101
    5    HG   SER  53           HG       SER  53  -3.897  10.481   8.132

  No H/Q in entry =           5
  In of MODEL    7
    1    H    ASP  54           H        ASP  54  -5.280   9.631   9.389
    2    HA   ASP  54           HA       ASP  54  -7.168   7.709  10.234
    3    HB2  ASP  54           HB2      ASP  54  -6.877   9.780  11.456
    4    HB3  ASP  54           HB3      ASP  54  -7.376  10.720  10.053

  No H/Q in entry =           4
  In of MODEL    7
    1    H    LEU  55           H        LEU  55  -8.308   6.553   8.815
    2    HA   LEU  55           HA       LEU  55  -9.174   5.983   6.761
    3    HB2  LEU  55           HB2      LEU  55 -10.862   6.570   8.706
    4    HB3  LEU  55           HB3      LEU  55 -11.388   7.791   7.575
    5    HG   LEU  55           HG       LEU  55 -12.782   5.773   7.484
    6   HD11  LEU  55          HD11      LEU  55 -12.453   7.166   5.470
    7   HD12  LEU  55          HD12      LEU  55 -11.186   6.052   4.956
    8   HD13  LEU  55          HD13      LEU  55 -12.849   5.482   5.123
    9   HD21  LEU  55          HD21      LEU  55 -10.275   4.368   6.578
   10   HD22  LEU  55          HD22      LEU  55 -11.132   4.101   8.098
   11   HD23  LEU  55          HD23      LEU  55 -11.900   3.687   6.566

  No H/Q in entry =          11
  In of MODEL    7
    1    H    SER  56           H        SER  56 -11.095   8.823   6.525
    2    HA   SER  56           HA       SER  56  -9.619  10.466   4.856
    3    HB2  SER  56           HB2      SER  56  -9.581   8.392   3.386
    4    HB3  SER  56           HB3      SER  56 -11.328   8.563   3.231
    5    HG   SER  56           HG       SER  56  -9.323   9.923   1.990

  No H/Q in entry =           5
  In of MODEL    7
    1    H    PHE  57           H        PHE  57 -11.176  11.730   3.339
    2    HA   PHE  57           HA       PHE  57 -13.745  12.108   4.731
    3    HB2  PHE  57           HB2      PHE  57 -13.717  14.405   3.867
    4    HB3  PHE  57           HB3      PHE  57 -12.261  14.084   4.801
    5    HD1  PHE  57           HD1      PHE  57 -13.555  15.348   1.772
    6    HD2  PHE  57           HD2      PHE  57 -10.168  13.365   3.419
    7    HE1  PHE  57           HE1      PHE  57 -12.193  16.099  -0.133
    8    HE2  PHE  57           HE2      PHE  57  -8.800  14.116   1.517
    9    HZ   PHE  57           HZ       PHE  57  -9.813  15.485  -0.263

  No H/Q in entry =           9
  In of MODEL    7
    1    H    SER  58           H        SER  58 -15.613  12.000   3.580
    2    HA   SER  58           HA       SER  58 -15.639  10.923   0.948
    3    HB2  SER  58           HB2      SER  58 -18.155  11.596   1.176
    4    HB3  SER  58           HB3      SER  58 -17.509  10.335   2.226
    5    HG   SER  58           HG       SER  58 -18.809  12.212   3.143

  No H/Q in entry =           5
  In of MODEL    7
    1    H    LYS  59           H        LYS  59 -15.966  11.946  -1.019
    2    HA   LYS  59           HA       LYS  59 -15.947  14.874  -0.969
    3    HB2  LYS  59           HB2      LYS  59 -13.614  14.066  -1.042
    4    HB3  LYS  59           HB3      LYS  59 -13.987  13.150  -2.494
    5    HG2  LYS  59           HG2      LYS  59 -14.428  15.196  -3.707
    6    HG3  LYS  59           HG3      LYS  59 -14.139  16.146  -2.247
    7    HD2  LYS  59           HD2      LYS  59 -11.828  15.294  -2.170
    8    HD3  LYS  59           HD3      LYS  59 -12.122  14.394  -3.658
    9    HE2  LYS  59           HE2      LYS  59 -10.917  16.516  -4.032
   10    HE3  LYS  59           HE3      LYS  59 -12.456  16.451  -4.887
   11    HZ1  LYS  59           HZ1      LYS  59 -11.975  17.842  -2.301
   12    HZ2  LYS  59           HZ2      LYS  59 -12.101  18.592  -3.816
   13    HZ3  LYS  59           HZ3      LYS  59 -13.447  17.802  -3.145

  No H/Q in entry =          13
  In of MODEL    7
    1    H    ASP  60           H        ASP  60 -15.318  12.640  -3.634
    2    HA   ASP  60           HA       ASP  60 -18.030  13.110  -4.650
    3    HB2  ASP  60           HB2      ASP  60 -16.503  14.664  -5.826
    4    HB3  ASP  60           HB3      ASP  60 -15.516  13.295  -6.327

  No H/Q in entry =           4
  In of MODEL    7
    1    H    TRP  61           H        TRP  61 -15.008  11.348  -5.211
    2    HA   TRP  61           HA       TRP  61 -16.374   9.045  -6.270
    3    HB2  TRP  61           HB2      TRP  61 -13.515   9.708  -5.647
    4    HB3  TRP  61           HB3      TRP  61 -13.981   8.044  -5.969
    5    HD1  TRP  61           HD1      TRP  61 -13.915  11.491  -7.710
    6    HE1  TRP  61           HE1      TRP  61 -13.804  11.089 -10.252
    7    HE3  TRP  61           HE3      TRP  61 -14.403   6.405  -7.742
    8    HZ2  TRP  61           HZ2      TRP  61 -13.907   8.902 -12.030
    9    HZ3  TRP  61           HZ3      TRP  61 -14.386   5.221  -9.892
   10    HH2  TRP  61           HH2      TRP  61 -14.140   6.462 -12.019

  No H/Q in entry =          10
  In of MODEL    7
    1    H    SER  62           H        SER  62 -14.926   6.977  -5.152
    2    HA   SER  62           HA       SER  62 -16.323   6.411  -2.769
    3    HB2  SER  62           HB2      SER  62 -13.917   5.102  -4.071
    4    HB3  SER  62           HB3      SER  62 -14.780   4.414  -2.692
    5    HG   SER  62           HG       SER  62 -16.599   5.016  -4.519

  No H/Q in entry =           5
  In of MODEL    7
    1    H    PHE  63           H        PHE  63 -15.142   5.694  -0.750
    2    HA   PHE  63           HA       PHE  63 -13.505   7.849   0.223
    3    HB2  PHE  63           HB2      PHE  63 -14.126   5.259   1.657
    4    HB3  PHE  63           HB3      PHE  63 -13.707   6.808   2.372
    5    HD1  PHE  63           HD1      PHE  63 -15.403   8.318   3.021
    6    HD2  PHE  63           HD2      PHE  63 -16.358   5.056   0.448
    7    HE1  PHE  63           HE1      PHE  63 -17.807   8.787   3.321
    8    HE2  PHE  63           HE2      PHE  63 -18.760   5.525   0.745
    9    HZ   PHE  63           HZ       PHE  63 -19.478   7.392   2.178

  No H/Q in entry =           9
  In of MODEL    7
    1    H    TYR  64           H        TYR  64 -11.403   7.576   1.145
    2    HA   TYR  64           HA       TYR  64  -9.843   5.571  -0.352
    3    HB2  TYR  64           HB2      TYR  64  -8.818   8.258   0.580
    4    HB3  TYR  64           HB3      TYR  64  -8.127   7.215  -0.654
    5    HD1  TYR  64           HD1      TYR  64 -10.061  10.071  -0.061
    6    HD2  TYR  64           HD2      TYR  64  -9.687   6.805  -2.761
    7    HE1  TYR  64           HE1      TYR  64 -11.272  11.354  -1.764
    8    HE2  TYR  64           HE2      TYR  64 -10.904   8.086  -4.482
    9    HH   TYR  64           HH       TYR  64 -12.466   9.935  -4.625

  No H/Q in entry =           9
  In of MODEL    7
    1    H    LEU  65           H        LEU  65  -8.024   4.614   0.698
    2    HA   LEU  65           HA       LEU  65  -7.401   5.524   3.381
    3    HB2  LEU  65           HB2      LEU  65  -8.926   3.832   3.932
    4    HB3  LEU  65           HB3      LEU  65  -8.337   2.757   2.681
    5    HG   LEU  65           HG       LEU  65  -6.372   3.385   4.792
    6   HD11  LEU  65          HD11      LEU  65  -8.543   3.303   6.020
    7   HD12  LEU  65          HD12      LEU  65  -8.763   1.665   5.411
    8   HD13  LEU  65          HD13      LEU  65  -7.404   2.040   6.473
    9   HD21  LEU  65          HD21      LEU  65  -6.008   1.750   2.996
   10   HD22  LEU  65          HD22      LEU  65  -5.972   0.999   4.591
   11   HD23  LEU  65          HD23      LEU  65  -7.400   0.830   3.567

  No H/Q in entry =          11
  In of MODEL    7
    1    H    LEU  66           H        LEU  66  -5.313   5.548   3.780
    2    HA   LEU  66           HA       LEU  66  -3.531   4.510   1.673
    3    HB2  LEU  66           HB2      LEU  66  -4.025   7.081   2.148
    4    HB3  LEU  66           HB3      LEU  66  -2.792   6.842   3.340
    5    HG   LEU  66           HG       LEU  66  -2.425   6.344   0.405
    6   HD11  LEU  66          HD11      LEU  66  -1.531   8.640   2.137
    7   HD12  LEU  66          HD12      LEU  66  -1.058   8.388   0.459
    8   HD13  LEU  66          HD13      LEU  66  -2.744   8.707   0.860
    9   HD21  LEU  66          HD21      LEU  66  -0.412   6.396   2.640
   10   HD22  LEU  66          HD22      LEU  66  -0.946   4.965   1.760
   11   HD23  LEU  66          HD23      LEU  66  -0.042   6.230   0.922

  No H/Q in entry =          11
  In of MODEL    7
    1    H    TYR  67           H        TYR  67  -1.929   3.202   2.306
    2    HA   TYR  67           HA       TYR  67  -1.089   3.184   5.135
    3    HB2  TYR  67           HB2      TYR  67  -1.673   0.950   3.274
    4    HB3  TYR  67           HB3      TYR  67  -0.303   0.757   4.357
    5    HD1  TYR  67           HD1      TYR  67  -0.639   0.568   6.773
    6    HD2  TYR  67           HD2      TYR  67  -3.956   0.909   4.127
    7    HE1  TYR  67           HE1      TYR  67  -2.135  -0.278   8.538
    8    HE2  TYR  67           HE2      TYR  67  -5.437   0.067   5.873
    9    HH   TYR  67           HH       TYR  67  -4.559  -0.143   9.110

  No H/Q in entry =           9
  In of MODEL    7
    1    H    TYR  68           H        TYR  68   0.896   3.916   5.409
    2    HA   TYR  68           HA       TYR  68   2.861   3.477   3.272
    3    HB2  TYR  68           HB2      TYR  68   3.611   5.830   3.411
    4    HB3  TYR  68           HB3      TYR  68   1.935   5.713   2.868
    5    HD1  TYR  68           HD1      TYR  68   0.109   6.489   4.280
    6    HD2  TYR  68           HD2      TYR  68   4.152   6.797   5.579
    7    HE1  TYR  68           HE1      TYR  68  -0.581   8.059   6.043
    8    HE2  TYR  68           HE2      TYR  68   3.470   8.360   7.349
    9    HH   TYR  68           HH       TYR  68   1.637   9.910   7.834

  No H/Q in entry =           9
  In of MODEL    7
    1    H    THR  69           H        THR  69   5.078   3.986   3.941
    2    HA   THR  69           HA       THR  69   5.598   4.134   6.795
    3    HB   THR  69           HB       THR  69   5.290   1.698   6.417
    4    HG1  THR  69           HG1      THR  69   8.047   2.252   6.861
    5   HG21  THR  69          HG21      THR  69   7.585   2.040   4.487
    6   HG22  THR  69          HG22      THR  69   7.042   0.485   5.117
    7   HG23  THR  69          HG23      THR  69   5.957   1.461   4.124

  No H/Q in entry =           7
  In of MODEL    7
    1    H    GLU  70           H        GLU  70   7.715   4.715   7.271
    2    HA   GLU  70           HA       GLU  70   9.197   5.904   5.061
    3    HB2  GLU  70           HB2      GLU  70   8.759   7.147   7.217
    4    HB3  GLU  70           HB3      GLU  70   9.778   5.981   8.043
    5    HG2  GLU  70           HG2      GLU  70  10.817   7.626   5.762
    6    HG3  GLU  70           HG3      GLU  70  10.782   8.240   7.412

  No H/Q in entry =           6
  In of MODEL    7
    1    H    PHE  71           H        PHE  71  11.047   5.056   4.275
    2    HA   PHE  71           HA       PHE  71  12.262   2.776   5.574
    3    HB2  PHE  71           HB2      PHE  71  11.956   1.257   3.674
    4    HB3  PHE  71           HB3      PHE  71  10.398   1.746   4.326
    5    HD1  PHE  71           HD1      PHE  71  10.445   4.526   2.950
    6    HD2  PHE  71           HD2      PHE  71  11.113   0.566   1.563
    7    HE1  PHE  71           HE1      PHE  71   9.720   5.194   0.700
    8    HE2  PHE  71           HE2      PHE  71  10.382   1.222  -0.694
    9    HZ   PHE  71           HZ       PHE  71   9.703   3.548  -1.141

  No H/Q in entry =           9
  In of MODEL    7
    1    H    THR  72           H        THR  72  14.276   2.143   4.561
    2    HA   THR  72           HA       THR  72  15.401   4.241   2.840
    3    HB   THR  72           HB       THR  72  16.938   2.318   4.601
    4    HG1  THR  72           HG1      THR  72  15.452   4.026   5.619
    5   HG21  THR  72          HG21      THR  72  18.208   3.267   2.731
    6   HG22  THR  72          HG22      THR  72  17.734   4.892   3.230
    7   HG23  THR  72          HG23      THR  72  18.772   3.915   4.271

  No H/Q in entry =           7
  In of MODEL    7
    1    HA   PRO  73           HA       PRO  73  14.753   0.603   0.028
    2    HB2  PRO  73           HB2      PRO  73  15.382   2.275  -2.162
    3    HB3  PRO  73           HB3      PRO  73  13.752   1.847  -1.600
    4    HG2  PRO  73           HG2      PRO  73  15.388   4.286  -1.050
    5    HG3  PRO  73           HG3      PRO  73  13.632   4.141  -1.285
    6    HD2  PRO  73           HD2      PRO  73  14.662   4.476   1.160
    7    HD3  PRO  73           HD3      PRO  73  13.290   3.371   0.896

  No H/Q in entry =           7
  In of MODEL    7
    1    H    THR  74           H        THR  74  16.139  -0.690  -0.857
    2    HA   THR  74           HA       THR  74  18.851   0.171  -1.517
    3    HB   THR  74           HB       THR  74  19.836  -1.785  -0.535
    4    HG1  THR  74           HG1      THR  74  17.172  -2.637   0.084
    5   HG21  THR  74          HG21      THR  74  17.822  -0.695   1.426
    6   HG22  THR  74          HG22      THR  74  19.263  -1.611   1.852
    7   HG23  THR  74          HG23      THR  74  19.421  -0.022   1.097

  No H/Q in entry =           7
  In of MODEL    7
    1    H    GLU  75           H        GLU  75  19.814  -1.476  -3.067
    2    HA   GLU  75           HA       GLU  75  17.858  -2.241  -5.011
    3    HB2  GLU  75           HB2      GLU  75  20.067  -1.431  -5.627
    4    HB3  GLU  75           HB3      GLU  75  20.825  -2.799  -4.830
    5    HG2  GLU  75           HG2      GLU  75  18.925  -3.134  -7.114
    6    HG3  GLU  75           HG3      GLU  75  20.636  -2.829  -7.350

  No H/Q in entry =           6
  In of MODEL    7
    1    H    LYS  76           H        LYS  76  19.634  -3.841  -2.519
    2    HA   LYS  76           HA       LYS  76  19.296  -6.428  -3.634
    3    HB2  LYS  76           HB2      LYS  76  20.451  -5.495  -1.016
    4    HB3  LYS  76           HB3      LYS  76  20.498  -7.154  -1.594
    5    HG2  LYS  76           HG2      LYS  76  22.174  -6.753  -3.025
    6    HG3  LYS  76           HG3      LYS  76  21.525  -5.183  -3.502
    7    HD2  LYS  76           HD2      LYS  76  23.633  -4.854  -2.402
    8    HD3  LYS  76           HD3      LYS  76  22.343  -4.247  -1.364
    9    HE2  LYS  76           HE2      LYS  76  22.409  -6.432  -0.142
   10    HE3  LYS  76           HE3      LYS  76  23.838  -6.855  -1.088
   11    HZ1  LYS  76           HZ1      LYS  76  24.884  -4.799  -0.205
   12    HZ2  LYS  76           HZ2      LYS  76  23.550  -4.604   0.822
   13    HZ3  LYS  76           HZ3      LYS  76  24.551  -5.966   0.983

  No H/Q in entry =          13
  In of MODEL    7
    1    H    ASP  77           H        ASP  77  17.577  -4.480  -1.299
    2    HA   ASP  77           HA       ASP  77  16.084  -6.886  -0.492
    3    HB2  ASP  77           HB2      ASP  77  15.665  -5.923   1.540
    4    HB3  ASP  77           HB3      ASP  77  17.072  -4.952   1.143

  No H/Q in entry =           4
  In of MODEL    7
    1    H    GLU  78           H        GLU  78  13.580  -6.037   0.066
    2    HA   GLU  78           HA       GLU  78  12.555  -4.740  -2.337
    3    HB2  GLU  78           HB2      GLU  78  12.981  -6.969  -3.153
    4    HB3  GLU  78           HB3      GLU  78  12.204  -7.689  -1.757
    5    HG2  GLU  78           HG2      GLU  78  10.697  -7.895  -3.560
    6    HG3  GLU  78           HG3      GLU  78  10.050  -6.603  -2.541

  No H/Q in entry =           6
  In of MODEL    7
    1    H    TYR  79           H        TYR  79  10.401  -4.071  -2.055
    2    HA   TYR  79           HA       TYR  79   9.135  -4.933   0.436
    3    HB2  TYR  79           HB2      TYR  79   8.804  -2.094  -0.534
    4    HB3  TYR  79           HB3      TYR  79   8.406  -2.789   1.039
    5    HD1  TYR  79           HD1      TYR  79   9.602  -1.814   2.713
    6    HD2  TYR  79           HD2      TYR  79  11.601  -2.607  -0.958
    7    HE1  TYR  79           HE1      TYR  79  11.698  -0.943   3.673
    8    HE2  TYR  79           HE2      TYR  79  13.703  -1.793   0.012
    9    HH   TYR  79           HH       TYR  79  14.526  -0.441   1.741

  No H/Q in entry =           9
  In of MODEL    7
    1    H    ALA  80           H        ALA  80   6.855  -4.864   0.454
    2    HA   ALA  80           HA       ALA  80   5.637  -4.818  -2.234
    3    HB1  ALA  80           HB1      ALA  80   6.404  -7.095  -1.924
    4    HB2  ALA  80           HB2      ALA  80   4.641  -7.024  -1.918
    5    HB3  ALA  80           HB3      ALA  80   5.518  -7.202  -0.399

  No H/Q in entry =           5
  In of MODEL    7
    1    H    CYS  81           H        CYS  81   3.225  -5.030  -2.162
    2    HA   CYS  81           HA       CYS  81   2.137  -3.918   0.345
    3    HB2  CYS  81           HB2      CYS  81   1.741  -3.244  -2.508
    4    HB3  CYS  81           HB3      CYS  81   0.280  -3.279  -1.525

  No H/Q in entry =           4
  In of MODEL    7
    1    H    ARG  82           H        ARG  82   0.528  -5.021   1.299
    2    HA   ARG  82           HA       ARG  82  -0.755  -7.272  -0.153
    3    HB2  ARG  82           HB2      ARG  82   0.821  -7.792   1.832
    4    HB3  ARG  82           HB3      ARG  82  -0.400  -7.032   2.825
    5    HG2  ARG  82           HG2      ARG  82  -1.978  -8.760   1.669
    6    HG3  ARG  82           HG3      ARG  82  -0.467  -9.630   1.414
    7    HD2  ARG  82           HD2      ARG  82  -1.753  -8.809   3.993
    8    HD3  ARG  82           HD3      ARG  82  -1.293 -10.427   3.477
    9    HE   ARG  82           HE       ARG  82   0.593  -8.315   4.326
   10   HH11  ARG  82          HH11      ARG  82  -0.243 -11.707   3.951
   11   HH12  ARG  82          HH12      ARG  82   1.114 -12.265   4.873
   12   HH21  ARG  82          HH21      ARG  82   2.323  -9.035   5.578
   13   HH22  ARG  82          HH22      ARG  82   2.597 -10.746   5.791

  No H/Q in entry =          13
  In of MODEL    7
    1    H    VAL  83           H        VAL  83  -3.013  -7.364  -0.037
    2    HA   VAL  83           HA       VAL  83  -4.286  -5.702   2.031
    3    HB   VAL  83           HB       VAL  83  -5.870  -4.703   0.689
    4   HG11  VAL  83          HG11      VAL  83  -3.384  -4.823  -0.961
    5   HG12  VAL  83          HG12      VAL  83  -4.689  -3.656  -1.170
    6   HG13  VAL  83          HG13      VAL  83  -3.762  -3.684   0.332
    7   HG21  VAL  83          HG21      VAL  83  -5.183  -6.620  -1.527
    8   HG22  VAL  83          HG22      VAL  83  -6.633  -6.659  -0.524
    9   HG23  VAL  83          HG23      VAL  83  -6.359  -5.311  -1.629

  No H/Q in entry =           9
  In of MODEL    7
    1    H    ASN  84           H        ASN  84  -6.086  -6.469   2.907
    2    HA   ASN  84           HA       ASN  84  -6.970  -9.150   2.067
    3    HB2  ASN  84           HB2      ASN  84  -7.133  -7.962   4.857
    4    HB3  ASN  84           HB3      ASN  84  -7.502  -9.611   4.406
    5   HD21  ASN  84          HD21      ASN  84  -4.979  -7.338   5.146
    6   HD22  ASN  84          HD22      ASN  84  -3.691  -8.493   5.183

  No H/Q in entry =           6
  In of MODEL    7
    1    H    HIS  85           H        HIS  85  -9.008  -9.106   1.153
    2    HA   HIS  85           HA       HIS  85 -11.077  -7.708   2.650
    3    HB2  HIS  85           HB2      HIS  85 -10.201  -6.362   0.552
    4    HB3  HIS  85           HB3      HIS  85 -11.145  -7.546  -0.341
    5    HD2  HIS  85           HD2      HIS  85 -11.812  -4.827   2.449
    6    HE1  HIS  85           HE1      HIS  85 -15.346  -5.580   0.244
    7    HE2  HIS  85           HE2      HIS  85 -14.342  -4.315   2.194

  No H/Q in entry =           7
  In of MODEL    7
    1    H    VAL  86           H        VAL  86 -13.287  -8.499   1.867
    2    HA   VAL  86           HA       VAL  86 -13.202 -11.340   1.885
    3    HB   VAL  86           HB       VAL  86 -15.636 -11.270   1.799
    4   HG11  VAL  86          HG11      VAL  86 -14.470  -9.164   3.613
    5   HG12  VAL  86          HG12      VAL  86 -16.040  -9.940   3.823
    6   HG13  VAL  86          HG13      VAL  86 -14.561 -10.895   3.941
    7   HG21  VAL  86          HG21      VAL  86 -15.847  -9.429   0.157
    8   HG22  VAL  86          HG22      VAL  86 -16.879  -9.212   1.572
    9   HG23  VAL  86          HG23      VAL  86 -15.385  -8.287   1.419

  No H/Q in entry =           9
  In of MODEL    7
    1    H    THR  87           H        THR  87 -13.314  -8.990  -0.660
    2    HA   THR  87           HA       THR  87 -14.634 -10.590  -2.581
    3    HB   THR  87           HB       THR  87 -13.901  -8.948  -4.202
    4    HG1  THR  87           HG1      THR  87 -11.767  -8.604  -3.604
    5   HG21  THR  87          HG21      THR  87 -15.659  -8.370  -2.490
    6   HG22  THR  87          HG22      THR  87 -14.412  -7.454  -1.646
    7   HG23  THR  87          HG23      THR  87 -14.881  -7.002  -3.285

  No H/Q in entry =           7
  In of MODEL    7
    1    H    LEU  88           H        LEU  88 -11.278  -9.986  -1.789
    2    HA   LEU  88           HA       LEU  88 -10.270 -11.552  -3.956
    3    HB2  LEU  88           HB2      LEU  88  -8.890 -10.570  -1.441
    4    HB3  LEU  88           HB3      LEU  88  -8.075 -11.296  -2.811
    5    HG   LEU  88           HG       LEU  88  -9.522  -8.645  -2.759
    6   HD11  LEU  88          HD11      LEU  88  -7.291  -8.626  -1.742
    7   HD12  LEU  88          HD12      LEU  88  -6.612  -9.328  -3.221
    8   HD13  LEU  88          HD13      LEU  88  -7.327  -7.710  -3.257
    9   HD21  LEU  88          HD21      LEU  88  -8.226 -10.065  -5.083
   10   HD22  LEU  88          HD22      LEU  88  -9.947  -9.728  -4.888
   11   HD23  LEU  88          HD23      LEU  88  -8.805  -8.400  -5.096

  No H/Q in entry =          11
  In of MODEL    7
    1    H    SER  89           H        SER  89 -10.282 -13.727  -4.001
    2    HA   SER  89           HA       SER  89 -11.159 -15.326  -1.858
    3    HB2  SER  89           HB2      SER  89  -9.557 -16.394  -4.144
    4    HB3  SER  89           HB3      SER  89 -10.845 -17.181  -3.256
    5    HG   SER  89           HG       SER  89 -10.969 -15.501  -5.418

  No H/Q in entry =           5
  In of MODEL    7
    1    H    GLN  90           H        GLN  90  -8.206 -13.934  -2.529
    2    HA   GLN  90           HA       GLN  90  -7.001 -15.006  -0.159
    3    HB2  GLN  90           HB2      GLN  90  -4.854 -15.626  -1.444
    4    HB3  GLN  90           HB3      GLN  90  -6.173 -16.768  -1.704
    5    HG2  GLN  90           HG2      GLN  90  -5.783 -14.516  -3.641
    6    HG3  GLN  90           HG3      GLN  90  -4.747 -15.941  -3.716
    7   HE21  GLN  90          HE21      GLN  90  -6.710 -14.788  -5.488
    8   HE22  GLN  90          HE22      GLN  90  -7.848 -16.035  -5.789

  No H/Q in entry =           8
  In of MODEL    7
    1    HA   PRO  91           HA       PRO  91  -5.882 -10.671   0.010
    2    HB2  PRO  91           HB2      PRO  91  -3.412 -11.961   1.150
    3    HB3  PRO  91           HB3      PRO  91  -4.260 -10.495   1.682
    4    HG2  PRO  91           HG2      PRO  91  -4.680 -12.736   2.986
    5    HG3  PRO  91           HG3      PRO  91  -6.068 -11.709   2.541
    6    HD2  PRO  91           HD2      PRO  91  -5.123 -14.292   1.327
    7    HD3  PRO  91           HD3      PRO  91  -6.799 -13.701   1.543

  No H/Q in entry =           7
  In of MODEL    7
    1    H    LYS  92           H        LYS  92  -4.384  -9.228  -0.952
    2    HA   LYS  92           HA       LYS  92  -3.153 -10.493  -3.299
    3    HB2  LYS  92           HB2      LYS  92  -5.150  -9.073  -3.778
    4    HB3  LYS  92           HB3      LYS  92  -4.272  -7.699  -3.126
    5    HG2  LYS  92           HG2      LYS  92  -4.098  -7.700  -5.533
    6    HG3  LYS  92           HG3      LYS  92  -2.518  -8.055  -4.813
    7    HD2  LYS  92           HD2      LYS  92  -2.693  -9.645  -6.505
    8    HD3  LYS  92           HD3      LYS  92  -3.213 -10.515  -5.060
    9    HE2  LYS  92           HE2      LYS  92  -5.574  -9.986  -5.689
   10    HE3  LYS  92           HE3      LYS  92  -4.964  -9.334  -7.210
   11    HZ1  LYS  92           HZ1      LYS  92  -3.829 -11.661  -7.360
   12    HZ2  LYS  92           HZ2      LYS  92  -5.059 -12.115  -6.282
   13    HZ3  LYS  92           HZ3      LYS  92  -5.460 -11.476  -7.798

  No H/Q in entry =          13
  In of MODEL    7
    1    H    ILE  93           H        ILE  93  -1.059 -10.235  -3.552
    2    HA   ILE  93           HA       ILE  93   0.247  -7.993  -2.165
    3    HB   ILE  93           HB       ILE  93   1.407 -10.669  -2.931
    4   HG12  ILE  93          HG12      ILE  93   1.993 -10.583  -0.393
    5   HG13  ILE  93          HG13      ILE  93   0.730  -9.368  -0.311
    6   HG21  ILE  93          HG21      ILE  93   3.013  -8.881  -3.390
    7   HG22  ILE  93          HG22      ILE  93   2.843  -8.314  -1.728
    8   HG23  ILE  93          HG23      ILE  93   3.533  -9.905  -2.049
    9   HD11  ILE  93          HD11      ILE  93   0.380 -12.186  -1.298
   10   HD12  ILE  93          HD12      ILE  93  -0.073 -11.585   0.297
   11   HD13  ILE  93          HD13      ILE  93  -0.886 -10.968  -1.140

  No H/Q in entry =          11
  In of MODEL    7
    1    H    VAL  94           H        VAL  94   1.219  -6.539  -3.356
    2    HA   VAL  94           HA       VAL  94   2.183  -7.284  -6.023
    3    HB   VAL  94           HB       VAL  94   0.913  -4.628  -5.311
    4   HG11  VAL  94          HG11      VAL  94   2.131  -5.560  -7.908
    5   HG12  VAL  94          HG12      VAL  94   1.263  -4.044  -7.667
    6   HG13  VAL  94          HG13      VAL  94   2.789  -4.330  -6.828
    7   HG21  VAL  94          HG21      VAL  94  -0.742  -6.387  -5.656
    8   HG22  VAL  94          HG22      VAL  94  -0.781  -5.221  -6.978
    9   HG23  VAL  94          HG23      VAL  94  -0.005  -6.789  -7.206

  No H/Q in entry =           9
  In of MODEL    7
    1    H    LYS  95           H        LYS  95   4.210  -6.715  -6.397
    2    HA   LYS  95           HA       LYS  95   5.753  -5.803  -4.129
    3    HB2  LYS  95           HB2      LYS  95   6.531  -6.711  -6.885
    4    HB3  LYS  95           HB3      LYS  95   7.696  -6.122  -5.707
    5    HG2  LYS  95           HG2      LYS  95   6.975  -7.929  -4.168
    6    HG3  LYS  95           HG3      LYS  95   5.964  -8.569  -5.471
    7    HD2  LYS  95           HD2      LYS  95   7.824  -9.022  -6.835
    8    HD3  LYS  95           HD3      LYS  95   8.898  -8.048  -5.837
    9    HE2  LYS  95           HE2      LYS  95   9.407 -10.322  -5.389
   10    HE3  LYS  95           HE3      LYS  95   8.528  -9.715  -3.989
   11    HZ1  LYS  95           HZ1      LYS  95   6.505 -10.749  -4.918
   12    HZ2  LYS  95           HZ2      LYS  95   7.433 -11.397  -6.180
   13    HZ3  LYS  95           HZ3      LYS  95   7.726 -11.878  -4.581

  No H/Q in entry =          13
  In of MODEL    7
    1    H    TRP  96           H        TRP  96   7.096  -3.956  -4.084
    2    HA   TRP  96           HA       TRP  96   6.051  -1.715  -5.582
    3    HB2  TRP  96           HB2      TRP  96   6.576  -1.453  -3.183
    4    HB3  TRP  96           HB3      TRP  96   8.258  -1.892  -3.483
    5    HD1  TRP  96           HD1      TRP  96   5.770   0.872  -4.589
    6    HE1  TRP  96           HE1      TRP  96   7.071   3.063  -4.817
    7    HE3  TRP  96           HE3      TRP  96  10.456  -0.875  -3.559
    8    HZ2  TRP  96           HZ2      TRP  96   9.744   3.959  -4.572
    9    HZ3  TRP  96           HZ3      TRP  96  12.341   0.703  -3.581
   10    HH2  TRP  96           HH2      TRP  96  11.988   3.087  -4.081

  No H/Q in entry =          10
  In of MODEL    7
    1    H    ASP  97           H        ASP  97   6.954  -0.922  -7.399
    2    HA   ASP  97           HA       ASP  97   9.706  -1.758  -7.986
    3    HB2  ASP  97           HB2      ASP  97   9.213  -1.825 -10.351
    4    HB3  ASP  97           HB3      ASP  97   8.065  -2.856  -9.504

  No H/Q in entry =           4
  In of MODEL    7
    1    H    ARG  98           H        ARG  98  11.109  -0.287  -8.375
    2    HA   ARG  98           HA       ARG  98  10.224   2.478  -8.748
    3    HB2  ARG  98           HB2      ARG  98  12.436   3.128  -7.968
    4    HB3  ARG  98           HB3      ARG  98  11.708   2.031  -6.824
    5    HG2  ARG  98           HG2      ARG  98  13.640   0.960  -6.845
    6    HG3  ARG  98           HG3      ARG  98  13.134   0.334  -8.413
    7    HD2  ARG  98           HD2      ARG  98  15.367   1.227  -8.590
    8    HD3  ARG  98           HD3      ARG  98  14.255   2.250  -9.499
    9    HE   ARG  98           HE       ARG  98  14.564   3.264  -6.886
   10   HH11  ARG  98          HH11      ARG  98  16.331   2.920  -9.888
   11   HH12  ARG  98          HH12      ARG  98  17.318   4.326  -9.617
   12   HH21  ARG  98          HH21      ARG  98  15.876   5.119  -6.531
   13   HH22  ARG  98          HH22      ARG  98  17.059   5.563  -7.725

  No H/Q in entry =          13
  In of MODEL    7
    1    H    ASP  99           H        ASP  99  12.136  -0.120 -10.025
    2    HA   ASP  99           HA       ASP  99  11.642   0.905 -12.689
    3    HB2  ASP  99           HB2      ASP  99  13.903   1.810 -11.981
    4    HB3  ASP  99           HB3      ASP  99  14.458   0.140 -11.905

  No H/Q in entry =           4
  In of MODEL    7
    1    H    MET 100           H        MET 100  11.882  -1.520 -10.466
    2    HA   MET 100           HA       MET 100  12.730  -3.809 -11.698
    3    HB2  MET 100           HB2      MET 100  10.303  -3.572  -9.903
    4    HB3  MET 100           HB3      MET 100  11.231  -5.033 -10.203
    5    HG2  MET 100           HG2      MET 100  12.292  -2.558  -8.864
    6    HG3  MET 100           HG3      MET 100  11.716  -3.998  -8.027
    7    HE1  MET 100           HE1      MET 100  13.999  -4.120  -6.698
    8    HE2  MET 100           HE2      MET 100  15.585  -4.148  -7.468
    9    HE3  MET 100           HE3      MET 100  14.593  -2.692  -7.544

  No H/Q in entry =           9
  In of MODEL    8
    1    HA   ILE   2           HA       ILE   2 -21.357 -10.243  -2.781
    2    HB   ILE   2           HB       ILE   2 -18.842 -10.664  -3.307
    3   HG12  ILE   2          HG12      ILE   2 -19.108 -11.614  -5.897
    4   HG13  ILE   2          HG13      ILE   2 -19.903 -10.047  -5.974
    5   HG21  ILE   2          HG21      ILE   2 -21.025 -12.438  -4.369
    6   HG22  ILE   2          HG22      ILE   2 -19.371 -12.946  -4.031
    7   HG23  ILE   2          HG23      ILE   2 -20.409 -12.391  -2.718
    8   HD11  ILE   2          HD11      ILE   2 -17.868  -8.998  -5.078
    9   HD12  ILE   2          HD12      ILE   2 -17.078 -10.575  -5.073
   10   HD13  ILE   2          HD13      ILE   2 -17.587  -9.848  -6.597

  No H/Q in entry =          10
  In of MODEL    8
    1    H    GLN   3           H        GLN   3 -19.616  -8.002  -4.959
    2    HA   GLN   3           HA       GLN   3 -19.481  -5.761  -3.400
    3    HB2  GLN   3           HB2      GLN   3 -18.283  -7.555  -1.812
    4    HB3  GLN   3           HB3      GLN   3 -16.926  -7.283  -2.883
    5    HG2  GLN   3           HG2      GLN   3 -16.630  -5.901  -0.982
    6    HG3  GLN   3           HG3      GLN   3 -17.045  -4.861  -2.346
    7   HE21  GLN   3          HE21      GLN   3 -17.289  -4.411   0.532
    8   HE22  GLN   3          HE22      GLN   3 -18.950  -4.036   0.818

  No H/Q in entry =           8
  In of MODEL    8
    1    H    ARG   4           H        ARG   4 -16.847  -4.937  -3.758
    2    HA   ARG   4           HA       ARG   4 -16.190  -5.572  -6.551
    3    HB2  ARG   4           HB2      ARG   4 -17.059  -3.360  -6.687
    4    HB3  ARG   4           HB3      ARG   4 -16.222  -2.883  -5.198
    5    HG2  ARG   4           HG2      ARG   4 -14.364  -2.308  -6.324
    6    HG3  ARG   4           HG3      ARG   4 -14.330  -3.859  -7.118
    7    HD2  ARG   4           HD2      ARG   4 -16.104  -1.650  -8.156
    8    HD3  ARG   4           HD3      ARG   4 -14.424  -1.851  -8.652
    9    HE   ARG   4           HE       ARG   4 -15.373  -4.291  -9.092
   10   HH11  ARG   4          HH11      ARG   4 -16.703  -1.148  -9.903
   11   HH12  ARG   4          HH12      ARG   4 -17.518  -1.728 -11.328
   12   HH21  ARG   4          HH21      ARG   4 -16.412  -5.048 -10.968
   13   HH22  ARG   4          HH22      ARG   4 -17.350  -3.943 -11.942

  No H/Q in entry =          13
  In of MODEL    8
    1    H    THR   5           H        THR   5 -14.028  -5.926  -6.934
    2    HA   THR   5           HA       THR   5 -12.503  -6.528  -4.619
    3    HB   THR   5           HB       THR   5 -10.850  -7.461  -6.066
    4    HG1  THR   5           HG1      THR   5 -11.192  -5.445  -7.560
    5   HG21  THR   5          HG21      THR   5 -13.638  -7.829  -7.127
    6   HG22  THR   5          HG22      THR   5 -12.264  -8.720  -7.781
    7   HG23  THR   5          HG23      THR   5 -12.704  -8.899  -6.085

  No H/Q in entry =           7
  In of MODEL    8
    1    HA   PRO   6           HA       PRO   6 -10.589  -2.463  -4.379
    2    HB2  PRO   6           HB2      PRO   6  -8.937  -3.588  -2.263
    3    HB3  PRO   6           HB3      PRO   6 -10.152  -2.313  -2.161
    4    HG2  PRO   6           HG2      PRO   6 -10.459  -4.809  -1.080
    5    HG3  PRO   6           HG3      PRO   6 -11.814  -3.759  -1.562
    6    HD2  PRO   6           HD2      PRO   6 -10.643  -6.143  -2.945
    7    HD3  PRO   6           HD3      PRO   6 -12.327  -5.558  -2.904

  No H/Q in entry =           7
  In of MODEL    8
    1    H    LYS   7           H        LYS   7  -8.930  -1.877  -5.626
    2    HA   LYS   7           HA       LYS   7  -7.129  -3.991  -6.516
    3    HB2  LYS   7           HB2      LYS   7  -8.439  -2.599  -8.147
    4    HB3  LYS   7           HB3      LYS   7  -7.524  -1.195  -7.626
    5    HG2  LYS   7           HG2      LYS   7  -5.484  -2.151  -8.473
    6    HG3  LYS   7           HG3      LYS   7  -6.322  -3.653  -8.881
    7    HD2  LYS   7           HD2      LYS   7  -7.756  -2.403 -10.441
    8    HD3  LYS   7           HD3      LYS   7  -6.865  -0.930 -10.060
    9    HE2  LYS   7           HE2      LYS   7  -4.831  -1.895 -10.951
   10    HE3  LYS   7           HE3      LYS   7  -5.660  -3.424 -11.249
   11    HZ1  LYS   7           HZ1      LYS   7  -6.380  -0.836 -12.517
   12    HZ2  LYS   7           HZ2      LYS   7  -5.445  -2.043 -13.255
   13    HZ3  LYS   7           HZ3      LYS   7  -7.066  -2.348 -12.854

  No H/Q in entry =          13
  In of MODEL    8
    1    H    ILE   8           H        ILE   8  -4.846  -3.645  -6.648
    2    HA   ILE   8           HA       ILE   8  -3.964  -2.268  -4.235
    3    HB   ILE   8           HB       ILE   8  -2.163  -3.925  -5.968
    4   HG12  ILE   8          HG12      ILE   8  -4.129  -5.319  -5.723
    5   HG13  ILE   8          HG13      ILE   8  -2.862  -5.928  -4.670
    6   HG21  ILE   8          HG21      ILE   8  -1.188  -2.714  -4.101
    7   HG22  ILE   8          HG22      ILE   8  -2.335  -3.467  -2.992
    8   HG23  ILE   8          HG23      ILE   8  -1.122  -4.452  -3.810
    9   HD11  ILE   8          HD11      ILE   8  -3.935  -4.815  -2.771
   10   HD12  ILE   8          HD12      ILE   8  -5.226  -4.268  -3.843
   11   HD13  ILE   8          HD13      ILE   8  -4.989  -5.994  -3.554

  No H/Q in entry =          11
  In of MODEL    8
    1    H    GLN   9           H        GLN   9  -3.237  -0.279  -4.414
    2    HA   GLN   9           HA       GLN   9  -1.489   0.351  -6.694
    3    HB2  GLN   9           HB2      GLN   9  -3.280   2.157  -5.062
    4    HB3  GLN   9           HB3      GLN   9  -2.103   2.742  -6.246
    5    HG2  GLN   9           HG2      GLN   9  -3.315   1.802  -8.036
    6    HG3  GLN   9           HG3      GLN   9  -4.316   0.834  -6.953
    7   HE21  GLN   9          HE21      GLN   9  -3.707   4.025  -8.213
    8   HE22  GLN   9          HE22      GLN   9  -5.215   4.721  -7.711

  No H/Q in entry =           8
  In of MODEL    8
    1    H    VAL  10           H        VAL  10   0.567   0.395  -6.071
    2    HA   VAL  10           HA       VAL  10   1.236   1.642  -3.518
    3    HB   VAL  10           HB       VAL  10   1.349  -0.586  -2.781
    4   HG11  VAL  10          HG11      VAL  10   1.061  -1.633  -4.994
    5   HG12  VAL  10          HG12      VAL  10   2.781  -1.391  -5.304
    6   HG13  VAL  10          HG13      VAL  10   2.259  -2.445  -3.985
    7   HG21  VAL  10          HG21      VAL  10   4.117   0.140  -3.740
    8   HG22  VAL  10          HG22      VAL  10   3.385   0.563  -2.191
    9   HG23  VAL  10          HG23      VAL  10   3.762  -1.122  -2.562

  No H/Q in entry =           9
  In of MODEL    8
    1    H    TYR  11           H        TYR  11   2.851   2.998  -3.643
    2    HA   TYR  11           HA       TYR  11   4.940   2.809  -5.582
    3    HB2  TYR  11           HB2      TYR  11   4.402   4.926  -6.769
    4    HB3  TYR  11           HB3      TYR  11   3.199   3.680  -7.059
    5    HD1  TYR  11           HD1      TYR  11   3.861   6.874  -5.353
    6    HD2  TYR  11           HD2      TYR  11   0.931   3.950  -6.328
    7    HE1  TYR  11           HE1      TYR  11   2.087   8.435  -4.675
    8    HE2  TYR  11           HE2      TYR  11  -0.849   5.501  -5.654
    9    HH   TYR  11           HH       TYR  11  -1.047   7.493  -4.088

  No H/Q in entry =           9
  In of MODEL    8
    1    H    SER  12           H        SER  12   6.292   4.924  -5.433
    2    HA   SER  12           HA       SER  12   6.634   5.422  -2.600
    3    HB2  SER  12           HB2      SER  12   8.556   4.973  -4.146
    4    HB3  SER  12           HB3      SER  12   8.219   6.510  -4.926
    5    HG   SER  12           HG       SER  12   9.200   7.498  -3.362

  No H/Q in entry =           5
  In of MODEL    8
    1    H    ARG  13           H        ARG  13   6.332   7.352  -1.562
    2    HA   ARG  13           HA       ARG  13   4.283   9.025  -2.523
    3    HB2  ARG  13           HB2      ARG  13   5.005   8.665  -0.092
    4    HB3  ARG  13           HB3      ARG  13   6.341   9.755  -0.407
    5    HG2  ARG  13           HG2      ARG  13   3.457  10.597  -0.689
    6    HG3  ARG  13           HG3      ARG  13   4.378  10.734   0.801
    7    HD2  ARG  13           HD2      ARG  13   5.138  12.001  -1.822
    8    HD3  ARG  13           HD3      ARG  13   4.346  12.825  -0.488
    9    HE   ARG  13           HE       ARG  13   7.100  11.809  -0.493
   10   HH11  ARG  13          HH11      ARG  13   4.587  13.777   0.953
   11   HH12  ARG  13          HH12      ARG  13   5.679  14.603   2.026
   12   HH21  ARG  13          HH21      ARG  13   8.539  12.906   0.927
   13   HH22  ARG  13          HH22      ARG  13   7.907  14.076   2.044

  No H/Q in entry =          13
  In of MODEL    8
    1    H    HIS  14           H        HIS  14   7.782   9.480  -2.465
    2    HA   HIS  14           HA       HIS  14   7.485  11.416  -4.635
    3    HB2  HIS  14           HB2      HIS  14   8.791  11.872  -2.001
    4    HB3  HIS  14           HB3      HIS  14   9.656  12.485  -3.408
    5    HD2  HIS  14           HD2      HIS  14   6.201  13.029  -4.454
    6    HE1  HIS  14           HE1      HIS  14   7.062  16.339  -1.965
    7    HE2  HIS  14           HE2      HIS  14   5.608  15.481  -3.859

  No H/Q in entry =           7
  In of MODEL    8
    1    HA   PRO  15           HA       PRO  15  10.867   9.513  -6.871
    2    HB2  PRO  15           HB2      PRO  15  13.190  11.005  -6.161
    3    HB3  PRO  15           HB3      PRO  15  12.214  11.154  -7.633
    4    HG2  PRO  15           HG2      PRO  15  12.156  12.822  -5.145
    5    HG3  PRO  15           HG3      PRO  15  11.726  13.256  -6.832
    6    HD2  PRO  15           HD2      PRO  15   9.844  12.880  -4.928
    7    HD3  PRO  15           HD3      PRO  15   9.569  12.415  -6.635

  No H/Q in entry =           7
  In of MODEL    8
    1    H    ALA  16           H        ALA  16  11.432   7.581  -6.185
    2    HA   ALA  16           HA       ALA  16  12.454   7.174  -3.515
    3    HB1  ALA  16           HB1      ALA  16  10.636   5.782  -4.393
    4    HB2  ALA  16           HB2      ALA  16  11.720   5.177  -5.645
    5    HB3  ALA  16           HB3      ALA  16  12.048   4.824  -3.948

  No H/Q in entry =           5
  In of MODEL    8
    1    H    GLU  17           H        GLU  17  14.437   6.451  -3.022
    2    HA   GLU  17           HA       GLU  17  16.354   6.032  -5.196
    3    HB2  GLU  17           HB2      GLU  17  16.362   8.363  -4.102
    4    HB3  GLU  17           HB3      GLU  17  17.026   7.553  -2.686
    5    HG2  GLU  17           HG2      GLU  17  18.857   8.420  -3.891
    6    HG3  GLU  17           HG3      GLU  17  18.839   6.681  -4.182

  No H/Q in entry =           6
  In of MODEL    8
    1    H    ASN  18           H        ASN  18  17.687   4.336  -4.907
    2    HA   ASN  18           HA       ASN  18  17.359   2.666  -2.565
    3    HB2  ASN  18           HB2      ASN  18  17.519   1.289  -4.387
    4    HB3  ASN  18           HB3      ASN  18  18.607   2.373  -5.258
    5   HD21  ASN  18          HD21      ASN  18  20.203   1.000  -5.795
    6   HD22  ASN  18          HD22      ASN  18  21.164   0.110  -4.660

  No H/Q in entry =           6
  In of MODEL    8
    1    H    GLY  19           H        GLY  19  18.753   2.387  -0.934
    2    HA2  GLY  19           HA2      GLY  19  21.404   3.538  -0.969
    3    HA3  GLY  19           HA3      GLY  19  20.606   2.740   0.401

  No H/Q in entry =           3
  In of MODEL    8
    1    H    LYS  20           H        LYS  20  18.212   4.341   0.070
    2    HA   LYS  20           HA       LYS  20  19.038   6.790   1.376
    3    HB2  LYS  20           HB2      LYS  20  19.166   7.098  -1.162
    4    HB3  LYS  20           HB3      LYS  20  17.417   6.963  -1.151
    5    HG2  LYS  20           HG2      LYS  20  18.163   9.272  -1.165
    6    HG3  LYS  20           HG3      LYS  20  17.220   8.901   0.265
    7    HD2  LYS  20           HD2      LYS  20  19.099   8.924   1.607
    8    HD3  LYS  20           HD3      LYS  20  20.212   8.773   0.266
    9    HE2  LYS  20           HE2      LYS  20  18.517  11.193   0.916
   10    HE3  LYS  20           HE3      LYS  20  20.251  11.038   1.206
   11    HZ1  LYS  20           HZ1      LYS  20  20.433  10.638  -1.274
   12    HZ2  LYS  20           HZ2      LYS  20  18.839  11.210  -1.394
   13    HZ3  LYS  20           HZ3      LYS  20  20.062  12.216  -0.783

  No H/Q in entry =          13
  In of MODEL    8
    1    H    SER  21           H        SER  21  17.344   7.786   2.458
    2    HA   SER  21           HA       SER  21  15.173   5.973   3.054
    3    HB2  SER  21           HB2      SER  21  16.052   8.575   4.284
    4    HB3  SER  21           HB3      SER  21  14.688   7.623   4.868
    5    HG   SER  21           HG       SER  21  16.555   5.882   4.759

  No H/Q in entry =           5
  In of MODEL    8
    1    H    ASN  22           H        ASN  22  13.041   6.345   2.715
    2    HA   ASN  22           HA       ASN  22  12.150   8.867   1.561
    3    HB2  ASN  22           HB2      ASN  22  12.974   7.038  -0.256
    4    HB3  ASN  22           HB3      ASN  22  11.353   6.431   0.038
    5   HD21  ASN  22          HD21      ASN  22  13.114   9.359  -1.004
    6   HD22  ASN  22          HD22      ASN  22  11.789   9.983  -1.914

  No H/Q in entry =           6
  In of MODEL    8
    1    H    PHE  23           H        PHE  23   9.605   8.078   0.714
    2    HA   PHE  23           HA       PHE  23   8.480   6.889   3.160
    3    HB2  PHE  23           HB2      PHE  23   7.607   9.388   1.702
    4    HB3  PHE  23           HB3      PHE  23   6.552   8.517   2.804
    5    HD1  PHE  23           HD1      PHE  23   6.382   9.349   4.901
    6    HD2  PHE  23           HD2      PHE  23  10.043   9.871   2.806
    7    HE1  PHE  23           HE1      PHE  23   7.279  10.630   6.800
    8    HE2  PHE  23           HE2      PHE  23  10.951  11.147   4.703
    9    HZ   PHE  23           HZ       PHE  23   9.567  11.523   6.705

  No H/Q in entry =           9
  In of MODEL    8
    1    H    LEU  24           H        LEU  24   7.242   5.176   2.692
    2    HA   LEU  24           HA       LEU  24   6.626   4.519  -0.050
    3    HB2  LEU  24           HB2      LEU  24   7.016   3.113   2.307
    4    HB3  LEU  24           HB3      LEU  24   5.308   2.908   1.986
    5    HG   LEU  24           HG       LEU  24   7.613   2.086   0.189
    6   HD11  LEU  24          HD11      LEU  24   7.231   0.638   2.114
    7   HD12  LEU  24          HD12      LEU  24   5.533   0.476   1.667
    8   HD13  LEU  24          HD13      LEU  24   6.788  -0.172   0.610
    9   HD21  LEU  24          HD21      LEU  24   4.639   1.954  -0.322
   10   HD22  LEU  24          HD22      LEU  24   5.863   2.788  -1.285
   11   HD23  LEU  24          HD23      LEU  24   5.843   1.026  -1.219

  No H/Q in entry =          11
  In of MODEL    8
    1    H    ASN  25           H        ASN  25   4.462   4.001  -0.768
    2    HA   ASN  25           HA       ASN  25   2.289   5.049   0.855
    3    HB2  ASN  25           HB2      ASN  25   2.791   6.933  -0.540
    4    HB3  ASN  25           HB3      ASN  25   2.890   5.919  -1.979
    5   HD21  ASN  25          HD21      ASN  25   0.845   7.531   0.277
    6   HD22  ASN  25          HD22      ASN  25  -0.635   7.319  -0.600

  No H/Q in entry =           6
  In of MODEL    8
    1    H    CYS  26           H        CYS  26   0.683   3.656   0.920
    2    HA   CYS  26           HA       CYS  26   0.271   1.861  -1.366
    3    HB2  CYS  26           HB2      CYS  26   1.257   0.857   0.841
    4    HB3  CYS  26           HB3      CYS  26  -0.402   1.014   1.429

  No H/Q in entry =           4
  In of MODEL    8
    1    H    TYR  27           H        TYR  27  -1.636   2.176  -2.246
    2    HA   TYR  27           HA       TYR  27  -3.725   3.542  -0.675
    3    HB2  TYR  27           HB2      TYR  27  -2.455   4.258  -3.220
    4    HB3  TYR  27           HB3      TYR  27  -4.201   4.152  -3.344
    5    HD1  TYR  27           HD1      TYR  27  -5.469   5.477  -1.337
    6    HD2  TYR  27           HD2      TYR  27  -1.550   6.308  -2.769
    7    HE1  TYR  27           HE1      TYR  27  -5.685   7.805  -0.578
    8    HE2  TYR  27           HE2      TYR  27  -1.747   8.622  -1.981
    9    HH   TYR  27           HH       TYR  27  -3.555  10.247  -1.499

  No H/Q in entry =           9
  In of MODEL    8
    1    H    VAL  28           H        VAL  28  -5.019   1.784  -0.291
    2    HA   VAL  28           HA       VAL  28  -5.667   0.116  -2.606
    3    HB   VAL  28           HB       VAL  28  -6.665  -0.428   0.174
    4   HG11  VAL  28          HG11      VAL  28  -6.032  -2.148  -2.214
    5   HG12  VAL  28          HG12      VAL  28  -6.625  -2.744  -0.663
    6   HG13  VAL  28          HG13      VAL  28  -7.639  -1.687  -1.649
    7   HG21  VAL  28          HG21      VAL  28  -3.974  -1.209  -0.947
    8   HG22  VAL  28          HG22      VAL  28  -4.274  -0.180   0.458
    9   HG23  VAL  28          HG23      VAL  28  -4.697  -1.893   0.513

  No H/Q in entry =           9
  In of MODEL    8
    1    H    SER  29           H        SER  29  -7.397   0.666  -3.747
    2    HA   SER  29           HA       SER  29  -9.728   1.770  -2.431
    3    HB2  SER  29           HB2      SER  29  -8.192   3.711  -2.973
    4    HB3  SER  29           HB3      SER  29  -8.379   3.295  -4.675
    5    HG   SER  29           HG       SER  29 -10.297   4.286  -2.857

  No H/Q in entry =           5
  In of MODEL    8
    1    H    GLY  30           H        GLY  30 -11.274   2.430  -4.485
    2    HA2  GLY  30           HA2      GLY  30 -11.159   0.209  -6.394
    3    HA3  GLY  30           HA3      GLY  30 -12.234   1.602  -6.489

  No H/Q in entry =           3
  In of MODEL    8
    1    H    PHE  31           H        PHE  31 -12.623   1.180  -3.502
    2    HA   PHE  31           HA       PHE  31 -14.822  -0.712  -3.744
    3    HB2  PHE  31           HB2      PHE  31 -14.240  -1.909  -1.728
    4    HB3  PHE  31           HB3      PHE  31 -12.787  -1.894  -2.747
    5    HD1  PHE  31           HD1      PHE  31 -14.075  -1.260   0.470
    6    HD2  PHE  31           HD2      PHE  31 -11.123   0.062  -2.290
    7    HE1  PHE  31           HE1      PHE  31 -12.817  -0.231   2.313
    8    HE2  PHE  31           HE2      PHE  31  -9.869   1.100  -0.455
    9    HZ   PHE  31           HZ       PHE  31 -10.717   0.980   1.851

  No H/Q in entry =           9
  In of MODEL    8
    1    H    HIS  32           H        HIS  32 -16.372  -0.362  -1.807
    2    HA   HIS  32           HA       HIS  32 -15.923   1.961  -0.214
    3    HB2  HIS  32           HB2      HIS  32 -17.891   3.247  -1.076
    4    HB3  HIS  32           HB3      HIS  32 -16.557   3.147  -2.216
    5    HD2  HIS  32           HD2      HIS  32 -20.043   1.365  -1.697
    6    HE1  HIS  32           HE1      HIS  32 -19.046   1.467  -5.806
    7    HE2  HIS  32           HE2      HIS  32 -20.878   0.984  -4.124

  No H/Q in entry =           7
  In of MODEL    8
    1    HA   PRO  33           HA       PRO  33 -17.931   3.580   0.688
    2    HB2  PRO  33           HB2      PRO  33 -18.242   3.040   3.581
    3    HB3  PRO  33           HB3      PRO  33 -19.036   4.246   2.566
    4    HG2  PRO  33           HG2      PRO  33 -20.357   2.100   3.442
    5    HG3  PRO  33           HG3      PRO  33 -20.639   2.753   1.817
    6    HD2  PRO  33           HD2      PRO  33 -19.052   0.358   2.650
    7    HD3  PRO  33           HD3      PRO  33 -20.131   0.568   1.246

  No H/Q in entry =           7
  In of MODEL    8
    1    H    SER  34           H        SER  34 -16.789   1.699   3.474
    2    HA   SER  34           HA       SER  34 -14.061   2.726   3.048
    3    HB2  SER  34           HB2      SER  34 -15.386   2.540   5.764
    4    HB3  SER  34           HB3      SER  34 -13.831   3.273   5.375
    5    HG   SER  34           HG       SER  34 -15.091   4.752   4.013

  No H/Q in entry =           5
  In of MODEL    8
    1    H    ASP  35           H        ASP  35 -12.730   1.392   5.194
    2    HA   ASP  35           HA       ASP  35 -12.207  -0.406   6.220
    3    HB2  ASP  35           HB2      ASP  35 -14.963  -1.358   5.517
    4    HB3  ASP  35           HB3      ASP  35 -13.823  -2.272   6.502

  No H/Q in entry =           4
  In of MODEL    8
    1    H    ILE  36           H        ILE  36 -10.543  -0.813   4.866
    2    HA   ILE  36           HA       ILE  36 -10.645  -3.651   4.231
    3    HB   ILE  36           HB       ILE  36 -10.541  -2.265   2.054
    4   HG12  ILE  36          HG12      ILE  36  -8.640  -4.434   2.870
    5   HG13  ILE  36          HG13      ILE  36  -9.997  -4.505   1.755
    6   HG21  ILE  36          HG21      ILE  36  -8.964  -0.576   2.946
    7   HG22  ILE  36          HG22      ILE  36  -7.719  -1.820   3.023
    8   HG23  ILE  36          HG23      ILE  36  -8.379  -1.330   1.460
    9   HD11  ILE  36          HD11      ILE  36  -7.337  -3.199   1.223
   10   HD12  ILE  36          HD12      ILE  36  -7.873  -4.762   0.603
   11   HD13  ILE  36          HD13      ILE  36  -8.689  -3.285   0.089

  No H/Q in entry =          11
  In of MODEL    8
    1    H    GLU  37           H        GLU  37  -8.465  -4.697   4.544
    2    HA   GLU  37           HA       GLU  37  -6.868  -3.088   6.392
    3    HB2  GLU  37           HB2      GLU  37  -8.257  -5.095   7.294
    4    HB3  GLU  37           HB3      GLU  37  -7.072  -6.086   6.451
    5    HG2  GLU  37           HG2      GLU  37  -6.518  -5.824   8.816
    6    HG3  GLU  37           HG3      GLU  37  -5.282  -5.106   7.778

  No H/Q in entry =           6
  In of MODEL    8
    1    H    VAL  38           H        VAL  38  -4.821  -2.842   5.750
    2    HA   VAL  38           HA       VAL  38  -3.690  -4.731   3.840
    3    HB   VAL  38           HB       VAL  38  -3.993  -3.349   2.129
    4   HG11  VAL  38          HG11      VAL  38  -4.579  -1.176   4.111
    5   HG12  VAL  38          HG12      VAL  38  -4.738  -1.005   2.363
    6   HG13  VAL  38          HG13      VAL  38  -5.734  -2.177   3.229
    7   HG21  VAL  38          HG21      VAL  38  -2.003  -1.568   3.541
    8   HG22  VAL  38          HG22      VAL  38  -1.633  -2.874   2.419
    9   HG23  VAL  38          HG23      VAL  38  -2.461  -1.424   1.841

  No H/Q in entry =           9
  In of MODEL    8
    1    H    ASP  39           H        ASP  39  -1.589  -5.087   4.040
    2    HA   ASP  39           HA       ASP  39  -0.091  -3.561   6.069
    3    HB2  ASP  39           HB2      ASP  39  -0.332  -6.571   5.866
    4    HB3  ASP  39           HB3      ASP  39   0.871  -5.762   6.849

  No H/Q in entry =           4
  In of MODEL    8
    1    H    LEU  40           H        LEU  40   2.159  -3.423   5.725
    2    HA   LEU  40           HA       LEU  40   2.891  -3.866   2.938
    3    HB2  LEU  40           HB2      LEU  40   4.453  -2.335   5.007
    4    HB3  LEU  40           HB3      LEU  40   4.589  -2.233   3.262
    5    HG   LEU  40           HG       LEU  40   2.267  -1.250   4.919
    6   HD11  LEU  40          HD11      LEU  40   4.431   0.237   3.434
    7   HD12  LEU  40          HD12      LEU  40   3.037   0.976   4.223
    8   HD13  LEU  40          HD13      LEU  40   4.247   0.127   5.186
    9   HD21  LEU  40          HD21      LEU  40   2.749  -1.170   1.951
   10   HD22  LEU  40          HD22      LEU  40   1.421  -1.961   2.804
   11   HD23  LEU  40          HD23      LEU  40   1.537  -0.197   2.788

  No H/Q in entry =          11
  In of MODEL    8
    1    H    LEU  41           H        LEU  41   4.642  -5.063   2.314
    2    HA   LEU  41           HA       LEU  41   5.898  -6.743   4.386
    3    HB2  LEU  41           HB2      LEU  41   5.695  -7.512   1.516
    4    HB3  LEU  41           HB3      LEU  41   5.977  -8.523   2.896
    5    HG   LEU  41           HG       LEU  41   3.355  -7.178   2.303
    6   HD11  LEU  41          HD11      LEU  41   4.256 -10.017   1.838
    7   HD12  LEU  41          HD12      LEU  41   2.617  -9.409   1.610
    8   HD13  LEU  41          HD13      LEU  41   3.925  -8.808   0.595
    9   HD21  LEU  41          HD21      LEU  41   3.714  -7.642   4.673
   10   HD22  LEU  41          HD22      LEU  41   2.480  -8.707   3.999
   11   HD23  LEU  41          HD23      LEU  41   4.109  -9.319   4.291

  No H/Q in entry =          11
  In of MODEL    8
    1    H    LYS  42           H        LYS  42   7.798  -7.897   3.431
    2    HA   LYS  42           HA       LYS  42   9.619  -6.308   1.822
    3    HB2  LYS  42           HB2      LYS  42  10.485  -7.256   4.537
    4    HB3  LYS  42           HB3      LYS  42  11.363  -6.202   3.451
    5    HG2  LYS  42           HG2      LYS  42   9.771  -4.391   3.831
    6    HG3  LYS  42           HG3      LYS  42   8.722  -5.489   4.713
    7    HD2  LYS  42           HD2      LYS  42  11.557  -4.988   5.686
    8    HD3  LYS  42           HD3      LYS  42  10.195  -3.943   6.150
    9    HE2  LYS  42           HE2      LYS  42   9.009  -6.031   6.924
   10    HE3  LYS  42           HE3      LYS  42  10.519  -6.900   6.660
   11    HZ1  LYS  42           HZ1      LYS  42  11.551  -5.239   8.227
   12    HZ2  LYS  42           HZ2      LYS  42   9.979  -4.745   8.620
   13    HZ3  LYS  42           HZ3      LYS  42  10.461  -6.336   8.931

  No H/Q in entry =          13
  In of MODEL    8
    1    H    ASN  43           H        ASN  43   9.838  -7.869   0.369
    2    HA   ASN  43           HA       ASN  43  10.538  -9.773  -0.657
    3    HB2  ASN  43           HB2      ASN  43  12.308  -9.516   1.402
    4    HB3  ASN  43           HB3      ASN  43  11.632 -11.106   1.734
    5   HD21  ASN  43          HD21      ASN  43  13.543  -9.197  -0.415
    6   HD22  ASN  43          HD22      ASN  43  14.131 -10.500  -1.390

  No H/Q in entry =           6
  In of MODEL    8
    1    H    GLY  44           H        GLY  44   8.612  -9.831   2.109
    2    HA2  GLY  44           HA2      GLY  44   7.813 -12.625   1.828
    3    HA3  GLY  44           HA3      GLY  44   6.596 -11.389   1.510

  No H/Q in entry =           3
  In of MODEL    8
    1    H    GLU  45           H        GLU  45   8.589 -10.079   3.703
    2    HA   GLU  45           HA       GLU  45   7.344 -11.334   6.036
    3    HB2  GLU  45           HB2      GLU  45   9.794  -9.615   5.874
    4    HB3  GLU  45           HB3      GLU  45   9.325 -10.676   7.202
    5    HG2  GLU  45           HG2      GLU  45  10.035 -11.563   4.427
    6    HG3  GLU  45           HG3      GLU  45  11.133 -11.563   5.780

  No H/Q in entry =           6
  In of MODEL    8
    1    H    ARG  46           H        ARG  46   6.402 -10.022   7.634
    2    HA   ARG  46           HA       ARG  46   5.132  -7.714   6.584
    3    HB2  ARG  46           HB2      ARG  46   4.172  -9.389   8.262
    4    HB3  ARG  46           HB3      ARG  46   5.145  -8.563   9.483
    5    HG2  ARG  46           HG2      ARG  46   3.902  -6.552   9.223
    6    HG3  ARG  46           HG3      ARG  46   3.115  -7.148   7.769
    7    HD2  ARG  46           HD2      ARG  46   1.875  -8.811   9.084
    8    HD3  ARG  46           HD3      ARG  46   2.726  -8.282  10.545
    9    HE   ARG  46           HE       ARG  46   1.137  -6.310   9.083
   10   HH11  ARG  46          HH11      ARG  46   1.508  -8.380  11.883
   11   HH12  ARG  46          HH12      ARG  46   0.177  -7.659  12.748
   12   HH21  ARG  46          HH21      ARG  46  -0.611  -5.376  10.183
   13   HH22  ARG  46          HH22      ARG  46  -1.028  -5.941  11.782

  No H/Q in entry =          13
  In of MODEL    8
    1    H    ILE  47           H        ILE  47   5.295  -5.566   7.075
    2    HA   ILE  47           HA       ILE  47   7.666  -4.646   8.520
    3    HB   ILE  47           HB       ILE  47   5.622  -3.062   6.945
    4   HG12  ILE  47          HG12      ILE  47   8.433  -3.832   6.185
    5   HG13  ILE  47          HG13      ILE  47   6.991  -4.618   5.552
    6   HG21  ILE  47          HG21      ILE  47   8.272  -2.263   8.149
    7   HG22  ILE  47          HG22      ILE  47   7.315  -1.254   7.063
    8   HG23  ILE  47          HG23      ILE  47   6.672  -1.705   8.644
    9   HD11  ILE  47          HD11      ILE  47   7.484  -1.674   5.261
   10   HD12  ILE  47          HD12      ILE  47   8.073  -2.856   4.096
   11   HD13  ILE  47          HD13      ILE  47   6.344  -2.688   4.378

  No H/Q in entry =          11
  In of MODEL    8
    1    H    GLU  48           H        GLU  48   7.492  -3.464  10.432
    2    HA   GLU  48           HA       GLU  48   4.871  -3.668  11.658
    3    HB2  GLU  48           HB2      GLU  48   6.331  -3.245  13.778
    4    HB3  GLU  48           HB3      GLU  48   6.305  -4.825  13.018
    5    HG2  GLU  48           HG2      GLU  48   8.426  -2.778  12.507
    6    HG3  GLU  48           HG3      GLU  48   8.546  -3.982  13.767

  No H/Q in entry =           6
  In of MODEL    8
    1    H    LYS  49           H        LYS  49   7.499  -1.197  11.308
    2    HA   LYS  49           HA       LYS  49   6.041   0.838  12.544
    3    HB2  LYS  49           HB2      LYS  49   8.279   1.026  10.550
    4    HB3  LYS  49           HB3      LYS  49   7.697   2.344  11.570
    5    HG2  LYS  49           HG2      LYS  49   8.185   0.910  13.537
    6    HG3  LYS  49           HG3      LYS  49   8.945  -0.211  12.452
    7    HD2  LYS  49           HD2      LYS  49   9.772   2.651  12.624
    8    HD3  LYS  49           HD3      LYS  49  10.488   1.383  13.615
    9    HE2  LYS  49           HE2      LYS  49  11.186   0.188  11.618
   10    HE3  LYS  49           HE3      LYS  49  10.433   1.420  10.604
   11    HZ1  LYS  49           HZ1      LYS  49  12.617   1.993  12.533
   12    HZ2  LYS  49           HZ2      LYS  49  12.879   1.659  10.892
   13    HZ3  LYS  49           HZ3      LYS  49  11.994   3.034  11.345

  No H/Q in entry =          13
  In of MODEL    8
    1    H    VAL  50           H        VAL  50   4.839  -0.641  10.075
    2    HA   VAL  50           HA       VAL  50   4.127   1.415   8.267
    3    HB   VAL  50           HB       VAL  50   2.492  -0.995   9.073
    4   HG11  VAL  50          HG11      VAL  50   1.229   0.799   7.922
    5   HG12  VAL  50          HG12      VAL  50   2.365   0.688   6.570
    6   HG13  VAL  50          HG13      VAL  50   1.337  -0.688   6.968
    7   HG21  VAL  50          HG21      VAL  50   4.754  -1.550   8.258
    8   HG22  VAL  50          HG22      VAL  50   3.480  -2.115   7.186
    9   HG23  VAL  50          HG23      VAL  50   4.404  -0.676   6.767

  No H/Q in entry =           9
  In of MODEL    8
    1    H    GLU  51           H        GLU  51   2.651   3.020   8.401
    2    HA   GLU  51           HA       GLU  51   0.738   2.914  10.623
    3    HB2  GLU  51           HB2      GLU  51   2.115   5.452   9.748
    4    HB3  GLU  51           HB3      GLU  51   0.992   5.248  11.088
    5    HG2  GLU  51           HG2      GLU  51   2.653   3.739  12.152
    6    HG3  GLU  51           HG3      GLU  51   3.791   4.187  10.879

  No H/Q in entry =           6
  In of MODEL    8
    1    H    HIS  52           H        HIS  52  -1.191   3.831  10.266
    2    HA   HIS  52           HA       HIS  52  -1.792   4.690   7.522
    3    HB2  HIS  52           HB2      HIS  52  -4.153   4.062   7.992
    4    HB3  HIS  52           HB3      HIS  52  -3.038   2.708   8.023
    5    HD2  HIS  52           HD2      HIS  52  -2.328   1.977  10.826
    6    HE1  HIS  52           HE1      HIS  52  -6.139   3.266  12.140
    7    HE2  HIS  52           HE2      HIS  52  -4.172   1.751  12.641

  No H/Q in entry =           7
  In of MODEL    8
    1    H    SER  53           H        SER  53  -2.509   6.676   7.190
    2    HA   SER  53           HA       SER  53  -2.649   8.501   9.421
    3    HB2  SER  53           HB2      SER  53  -3.099  10.152   7.431
    4    HB3  SER  53           HB3      SER  53  -1.507   9.386   7.537
    5    HG   SER  53           HG       SER  53  -3.514   9.071   5.663

  No H/Q in entry =           5
  In of MODEL    8
    1    H    ASP  54           H        ASP  54  -4.510  10.372   8.427
    2    HA   ASP  54           HA       ASP  54  -6.793   9.628   9.781
    3    HB2  ASP  54           HB2      ASP  54  -6.175  11.959   9.234
    4    HB3  ASP  54           HB3      ASP  54  -6.620  11.668   7.555

  No H/Q in entry =           4
  In of MODEL    8
    1    H    LEU  55           H        LEU  55  -8.804   8.938   9.234
    2    HA   LEU  55           HA       LEU  55  -8.896   6.734   7.599
    3    HB2  LEU  55           HB2      LEU  55 -10.461   7.519   9.517
    4    HB3  LEU  55           HB3      LEU  55 -11.402   8.244   8.232
    5    HG   LEU  55           HG       LEU  55 -12.164   5.974   9.038
    6   HD11  LEU  55          HD11      LEU  55 -12.900   6.903   6.909
    7   HD12  LEU  55          HD12      LEU  55 -11.484   6.215   6.115
    8   HD13  LEU  55          HD13      LEU  55 -12.703   5.154   6.820
    9   HD21  LEU  55          HD21      LEU  55  -9.693   5.080   7.563
   10   HD22  LEU  55          HD22      LEU  55  -9.991   4.929   9.293
   11   HD23  LEU  55          HD23      LEU  55 -10.978   4.022   8.146

  No H/Q in entry =          11
  In of MODEL    8
    1    H    SER  56           H        SER  56 -11.148   9.392   6.839
    2    HA   SER  56           HA       SER  56 -10.195   9.520   4.105
    3    HB2  SER  56           HB2      SER  56 -13.000   8.498   4.605
    4    HB3  SER  56           HB3      SER  56 -12.276   8.828   3.042
    5    HG   SER  56           HG       SER  56 -10.630   7.176   4.204

  No H/Q in entry =           5
  In of MODEL    8
    1    H    PHE  57           H        PHE  57 -11.707  10.901   2.754
    2    HA   PHE  57           HA       PHE  57 -13.433  12.688   4.273
    3    HB2  PHE  57           HB2      PHE  57 -12.528  14.681   3.163
    4    HB3  PHE  57           HB3      PHE  57 -11.280  13.885   4.110
    5    HD1  PHE  57           HD1      PHE  57 -12.348  14.909   0.806
    6    HD2  PHE  57           HD2      PHE  57  -9.484  12.625   2.974
    7    HE1  PHE  57           HE1      PHE  57 -10.887  14.872  -1.172
    8    HE2  PHE  57           HE2      PHE  57  -8.017  12.584   1.000
    9    HZ   PHE  57           HZ       PHE  57  -8.718  13.709  -1.077

  No H/Q in entry =           9
  In of MODEL    8
    1    H    SER  58           H        SER  58 -15.236  13.285   3.108
    2    HA   SER  58           HA       SER  58 -15.821  11.683   0.815
    3    HB2  SER  58           HB2      SER  58 -17.424  13.994   1.928
    4    HB3  SER  58           HB3      SER  58 -18.016  12.684   0.904
    5    HG   SER  58           HG       SER  58 -17.025  12.474   3.563

  No H/Q in entry =           5
  In of MODEL    8
    1    H    LYS  59           H        LYS  59 -15.735  12.179  -1.295
    2    HA   LYS  59           HA       LYS  59 -15.361  14.979  -2.070
    3    HB2  LYS  59           HB2      LYS  59 -13.156  13.604  -1.817
    4    HB3  LYS  59           HB3      LYS  59 -13.650  12.853  -3.326
    5    HG2  LYS  59           HG2      LYS  59 -13.441  15.829  -3.049
    6    HG3  LYS  59           HG3      LYS  59 -12.038  14.830  -3.430
    7    HD2  LYS  59           HD2      LYS  59 -13.226  13.955  -5.406
    8    HD3  LYS  59           HD3      LYS  59 -14.591  15.010  -5.034
    9    HE2  LYS  59           HE2      LYS  59 -13.082  15.904  -6.794
   10    HE3  LYS  59           HE3      LYS  59 -13.255  16.973  -5.405
   11    HZ1  LYS  59           HZ1      LYS  59 -10.964  15.138  -5.911
   12    HZ2  LYS  59           HZ2      LYS  59 -10.958  16.822  -6.118
   13    HZ3  LYS  59           HZ3      LYS  59 -11.127  16.160  -4.567

  No H/Q in entry =          13
  In of MODEL    8
    1    H    ASP  60           H        ASP  60 -14.915  12.123  -4.096
    2    HA   ASP  60           HA       ASP  60 -17.570  12.565  -5.267
    3    HB2  ASP  60           HB2      ASP  60 -15.965  13.817  -6.633
    4    HB3  ASP  60           HB3      ASP  60 -15.006  12.358  -6.854

  No H/Q in entry =           4
  In of MODEL    8
    1    H    TRP  61           H        TRP  61 -14.674  10.512  -5.466
    2    HA   TRP  61           HA       TRP  61 -16.344   8.257  -6.254
    3    HB2  TRP  61           HB2      TRP  61 -13.346   8.605  -6.129
    4    HB3  TRP  61           HB3      TRP  61 -14.140   7.110  -6.607
    5    HD1  TRP  61           HD1      TRP  61 -12.963  10.379  -7.963
    6    HE1  TRP  61           HE1      TRP  61 -13.574  10.566 -10.455
    7    HE3  TRP  61           HE3      TRP  61 -16.157   6.407  -8.304
    8    HZ2  TRP  61           HZ2      TRP  61 -15.200   9.208 -12.320
    9    HZ3  TRP  61           HZ3      TRP  61 -17.204   5.906 -10.467
   10    HH2  TRP  61           HH2      TRP  61 -16.730   7.297 -12.458

  No H/Q in entry =          10
  In of MODEL    8
    1    H    SER  62           H        SER  62 -14.548   6.284  -5.334
    2    HA   SER  62           HA       SER  62 -15.582   5.470  -2.925
    3    HB2  SER  62           HB2      SER  62 -13.055   4.865  -4.449
    4    HB3  SER  62           HB3      SER  62 -13.311   4.098  -2.877
    5    HG   SER  62           HG       SER  62 -15.045   3.034  -3.682

  No H/Q in entry =           5
  In of MODEL    8
    1    H    PHE  63           H        PHE  63 -14.787   5.426  -0.794
    2    HA   PHE  63           HA       PHE  63 -13.124   7.600   0.070
    3    HB2  PHE  63           HB2      PHE  63 -14.073   5.137   1.581
    4    HB3  PHE  63           HB3      PHE  63 -13.293   6.530   2.311
    5    HD1  PHE  63           HD1      PHE  63 -14.628   8.115   3.316
    6    HD2  PHE  63           HD2      PHE  63 -16.292   5.701   0.224
    7    HE1  PHE  63           HE1      PHE  63 -16.847   9.117   3.733
    8    HE2  PHE  63           HE2      PHE  63 -18.512   6.702   0.633
    9    HZ   PHE  63           HZ       PHE  63 -18.780   8.409   2.383

  No H/Q in entry =           9
  In of MODEL    8
    1    H    TYR  64           H        TYR  64 -11.145   7.071   1.470
    2    HA   TYR  64           HA       TYR  64  -9.588   5.010   0.063
    3    HB2  TYR  64           HB2      TYR  64  -8.212   7.524   0.867
    4    HB3  TYR  64           HB3      TYR  64  -7.913   6.476  -0.514
    5    HD1  TYR  64           HD1      TYR  64  -9.333   6.697  -2.556
    6    HD2  TYR  64           HD2      TYR  64  -9.651   9.399   0.716
    7    HE1  TYR  64           HE1      TYR  64 -10.523   8.294  -3.998
    8    HE2  TYR  64           HE2      TYR  64 -10.838  11.005  -0.709
    9    HH   TYR  64           HH       TYR  64 -11.007  11.532  -3.131

  No H/Q in entry =           9
  In of MODEL    8
    1    H    LEU  65           H        LEU  65  -8.022   3.966   1.282
    2    HA   LEU  65           HA       LEU  65  -7.523   5.027   3.961
    3    HB2  LEU  65           HB2      LEU  65  -8.992   3.291   4.486
    4    HB3  LEU  65           HB3      LEU  65  -8.371   2.228   3.245
    5    HG   LEU  65           HG       LEU  65  -6.455   2.888   5.396
    6   HD11  LEU  65          HD11      LEU  65  -8.627   2.757   6.584
    7   HD12  LEU  65          HD12      LEU  65  -8.841   1.134   5.927
    8   HD13  LEU  65          HD13      LEU  65  -7.501   1.477   7.022
    9   HD21  LEU  65          HD21      LEU  65  -5.995   1.270   3.614
   10   HD22  LEU  65          HD22      LEU  65  -6.015   0.501   5.201
   11   HD23  LEU  65          HD23      LEU  65  -7.395   0.325   4.117

  No H/Q in entry =          11
  In of MODEL    8
    1    H    LEU  66           H        LEU  66  -5.415   5.110   4.505
    2    HA   LEU  66           HA       LEU  66  -3.577   4.316   2.346
    3    HB2  LEU  66           HB2      LEU  66  -4.156   6.835   3.142
    4    HB3  LEU  66           HB3      LEU  66  -2.835   6.479   4.212
    5    HG   LEU  66           HG       LEU  66  -2.664   6.336   1.212
    6   HD11  LEU  66          HD11      LEU  66  -1.733   8.457   3.142
    7   HD12  LEU  66          HD12      LEU  66  -1.284   8.385   1.441
    8   HD13  LEU  66          HD13      LEU  66  -2.969   8.628   1.899
    9   HD21  LEU  66          HD21      LEU  66  -0.512   6.151   3.314
   10   HD22  LEU  66          HD22      LEU  66  -1.073   4.841   2.275
   11   HD23  LEU  66          HD23      LEU  66  -0.234   6.229   1.572

  No H/Q in entry =          11
  In of MODEL    8
    1    H    TYR  67           H        TYR  67  -1.842   3.135   2.859
    2    HA   TYR  67           HA       TYR  67  -1.025   2.963   5.675
    3    HB2  TYR  67           HB2      TYR  67  -1.703   0.765   3.806
    4    HB3  TYR  67           HB3      TYR  67  -0.298   0.528   4.837
    5    HD1  TYR  67           HD1      TYR  67  -3.917   0.535   4.683
    6    HD2  TYR  67           HD2      TYR  67  -0.572   0.625   7.319
    7    HE1  TYR  67           HE1      TYR  67  -5.337  -0.238   6.506
    8    HE2  TYR  67           HE2      TYR  67  -2.005  -0.132   9.170
    9    HH   TYR  67           HH       TYR  67  -5.025  -1.447   8.734

  No H/Q in entry =           9
  In of MODEL    8
    1    H    TYR  68           H        TYR  68   0.966   3.708   5.910
    2    HA   TYR  68           HA       TYR  68   2.870   3.287   3.707
    3    HB2  TYR  68           HB2      TYR  68   3.667   5.616   3.875
    4    HB3  TYR  68           HB3      TYR  68   1.970   5.545   3.384
    5    HD1  TYR  68           HD1      TYR  68   0.226   6.368   4.856
    6    HD2  TYR  68           HD2      TYR  68   4.307   6.489   6.048
    7    HE1  TYR  68           HE1      TYR  68  -0.355   7.941   6.651
    8    HE2  TYR  68           HE2      TYR  68   3.737   8.050   7.859
    9    HH   TYR  68           HH       TYR  68   0.637   8.580   8.932

  No H/Q in entry =           9
  In of MODEL    8
    1    H    THR  69           H        THR  69   5.123   3.753   4.318
    2    HA   THR  69           HA       THR  69   5.730   3.924   7.148
    3    HB   THR  69           HB       THR  69   5.319   1.481   6.757
    4    HG1  THR  69           HG1      THR  69   6.691   2.022   8.432
    5   HG21  THR  69          HG21      THR  69   7.701   1.772   4.925
    6   HG22  THR  69          HG22      THR  69   7.133   0.228   5.562
    7   HG23  THR  69          HG23      THR  69   6.088   1.183   4.508

  No H/Q in entry =           7
  In of MODEL    8
    1    H    GLU  70           H        GLU  70   7.878   4.518   7.547
    2    HA   GLU  70           HA       GLU  70   9.295   5.729   5.368
    3    HB2  GLU  70           HB2      GLU  70  10.621   5.506   7.986
    4    HB3  GLU  70           HB3      GLU  70  10.256   6.955   7.067
    5    HG2  GLU  70           HG2      GLU  70   8.040   7.011   7.911
    6    HG3  GLU  70           HG3      GLU  70   8.240   5.435   8.671

  No H/Q in entry =           6
  In of MODEL    8
    1    H    PHE  71           H        PHE  71  11.012   4.844   4.340
    2    HA   PHE  71           HA       PHE  71  12.278   2.490   5.470
    3    HB2  PHE  71           HB2      PHE  71  11.845   1.057   3.556
    4    HB3  PHE  71           HB3      PHE  71  10.321   1.599   4.242
    5    HD1  PHE  71           HD1      PHE  71  10.742   0.423   1.505
    6    HD2  PHE  71           HD2      PHE  71  10.687   4.448   2.861
    7    HE1  PHE  71           HE1      PHE  71  10.002   1.146  -0.723
    8    HE2  PHE  71           HE2      PHE  71   9.967   5.194   0.627
    9    HZ   PHE  71           HZ       PHE  71   9.634   3.543  -1.181

  No H/Q in entry =           9
  In of MODEL    8
    1    H    THR  72           H        THR  72  14.212   1.826   4.340
    2    HA   THR  72           HA       THR  72  15.230   3.813   2.423
    3    HB   THR  72           HB       THR  72  16.822   2.048   4.294
    4    HG1  THR  72           HG1      THR  72  16.260   3.625   5.617
    5   HG21  THR  72          HG21      THR  72  17.713   4.227   2.397
    6   HG22  THR  72          HG22      THR  72  18.750   3.389   3.553
    7   HG23  THR  72          HG23      THR  72  18.027   2.500   2.212

  No H/Q in entry =           7
  In of MODEL    8
    1    HA   PRO  73           HA       PRO  73  14.413   0.025  -0.159
    2    HB2  PRO  73           HB2      PRO  73  14.996   1.615  -2.425
    3    HB3  PRO  73           HB3      PRO  73  13.381   1.201  -1.815
    4    HG2  PRO  73           HG2      PRO  73  15.009   3.664  -1.389
    5    HG3  PRO  73           HG3      PRO  73  13.252   3.505  -1.557
    6    HD2  PRO  73           HD2      PRO  73  14.344   3.940   0.823
    7    HD3  PRO  73           HD3      PRO  73  12.982   2.801   0.650

  No H/Q in entry =           7
  In of MODEL    8
    1    H    THR  74           H        THR  74  15.809  -1.343  -1.037
    2    HA   THR  74           HA       THR  74  18.475  -0.404  -1.778
    3    HB   THR  74           HB       THR  74  19.564  -2.279  -0.750
    4    HG1  THR  74           HG1      THR  74  16.923  -3.149  -0.058
    5   HG21  THR  74          HG21      THR  74  19.135  -0.390   0.749
    6   HG22  THR  74          HG22      THR  74  17.595  -1.113   1.214
    7   HG23  THR  74          HG23      THR  74  19.108  -1.921   1.627

  No H/Q in entry =           7
  In of MODEL    8
    1    H    GLU  75           H        GLU  75  19.568  -1.893  -3.248
    2    HA   GLU  75           HA       GLU  75  17.987  -2.820  -5.389
    3    HB2  GLU  75           HB2      GLU  75  20.534  -2.187  -5.135
    4    HB3  GLU  75           HB3      GLU  75  20.718  -3.901  -4.818
    5    HG2  GLU  75           HG2      GLU  75  19.469  -2.766  -7.289
    6    HG3  GLU  75           HG3      GLU  75  21.155  -3.234  -7.136

  No H/Q in entry =           6
  In of MODEL    8
    1    H    LYS  76           H        LYS  76  19.326  -4.376  -2.590
    2    HA   LYS  76           HA       LYS  76  19.000  -7.035  -3.580
    3    HB2  LYS  76           HB2      LYS  76  19.918  -6.027  -0.900
    4    HB3  LYS  76           HB3      LYS  76  20.075  -7.678  -1.482
    5    HG2  LYS  76           HG2      LYS  76  22.021  -7.172  -2.429
    6    HG3  LYS  76           HG3      LYS  76  21.236  -5.926  -3.403
    7    HD2  LYS  76           HD2      LYS  76  21.458  -4.363  -1.487
    8    HD3  LYS  76           HD3      LYS  76  22.360  -5.607  -0.621
    9    HE2  LYS  76           HE2      LYS  76  24.036  -5.605  -2.424
   10    HE3  LYS  76           HE3      LYS  76  23.136  -4.323  -3.238
   11    HZ1  LYS  76           HZ1      LYS  76  23.436  -3.028  -1.098
   12    HZ2  LYS  76           HZ2      LYS  76  24.588  -4.187  -0.661
   13    HZ3  LYS  76           HZ3      LYS  76  24.819  -3.245  -2.053

  No H/Q in entry =          13
  In of MODEL    8
    1    H    ASP  77           H        ASP  77  17.141  -4.865  -1.575
    2    HA   ASP  77           HA       ASP  77  15.566  -7.180  -0.647
    3    HB2  ASP  77           HB2      ASP  77  15.250  -6.141   1.376
    4    HB3  ASP  77           HB3      ASP  77  16.681  -5.235   0.912

  No H/Q in entry =           4
  In of MODEL    8
    1    H    GLU  78           H        GLU  78  13.110  -6.158  -0.111
    2    HA   GLU  78           HA       GLU  78  12.125  -4.627  -2.335
    3    HB2  GLU  78           HB2      GLU  78  12.782  -6.745  -3.389
    4    HB3  GLU  78           HB3      GLU  78  11.608  -7.577  -2.400
    5    HG2  GLU  78           HG2      GLU  78  10.514  -7.324  -4.409
    6    HG3  GLU  78           HG3      GLU  78   9.916  -5.941  -3.492

  No H/Q in entry =           6
  In of MODEL    8
    1    H    TYR  79           H        TYR  79  10.655  -3.628  -1.241
    2    HA   TYR  79           HA       TYR  79   9.042  -4.952   0.721
    3    HB2  TYR  79           HB2      TYR  79   8.641  -2.072  -0.123
    4    HB3  TYR  79           HB3      TYR  79   8.236  -2.843   1.413
    5    HD1  TYR  79           HD1      TYR  79   9.446  -2.005   3.163
    6    HD2  TYR  79           HD2      TYR  79  11.411  -2.510  -0.578
    7    HE1  TYR  79           HE1      TYR  79  11.549  -1.193   4.159
    8    HE2  TYR  79           HE2      TYR  79  13.522  -1.753   0.424
    9    HH   TYR  79           HH       TYR  79  14.357  -0.526   2.242

  No H/Q in entry =           9
  In of MODEL    8
    1    H    ALA  80           H        ALA  80   6.810  -5.007   0.776
    2    HA   ALA  80           HA       ALA  80   5.514  -4.919  -1.890
    3    HB1  ALA  80           HB1      ALA  80   6.352  -7.236  -1.275
    4    HB2  ALA  80           HB2      ALA  80   4.653  -7.098  -1.732
    5    HB3  ALA  80           HB3      ALA  80   5.102  -7.241  -0.033

  No H/Q in entry =           5
  In of MODEL    8
    1    H    CYS  81           H        CYS  81   3.113  -5.056  -1.802
    2    HA   CYS  81           HA       CYS  81   2.038  -4.050   0.753
    3    HB2  CYS  81           HB2      CYS  81   1.515  -3.327  -2.086
    4    HB3  CYS  81           HB3      CYS  81   0.119  -3.367  -1.013

  No H/Q in entry =           4
  In of MODEL    8
    1    H    ARG  82           H        ARG  82   0.454  -5.261   1.704
    2    HA   ARG  82           HA       ARG  82  -0.773  -7.449   0.132
    3    HB2  ARG  82           HB2      ARG  82   0.780  -8.114   2.067
    4    HB3  ARG  82           HB3      ARG  82  -0.433  -7.389   3.118
    5    HG2  ARG  82           HG2      ARG  82  -2.109  -8.966   2.174
    6    HG3  ARG  82           HG3      ARG  82  -0.785  -9.776   1.332
    7    HD2  ARG  82           HD2      ARG  82  -0.828  -9.353   4.315
    8    HD3  ARG  82           HD3      ARG  82  -1.470 -10.798   3.547
    9    HE   ARG  82           HE       ARG  82   1.068 -10.618   2.589
   10   HH11  ARG  82          HH11      ARG  82  -0.363 -10.692   5.782
   11   HH12  ARG  82          HH12      ARG  82   1.004 -11.478   6.520
   12   HH21  ARG  82          HH21      ARG  82   2.861 -11.704   3.550
   13   HH22  ARG  82          HH22      ARG  82   2.827 -12.065   5.251

  No H/Q in entry =          13
  In of MODEL    8
    1    H    VAL  83           H        VAL  83  -3.003  -7.463   0.107
    2    HA   VAL  83           HA       VAL  83  -4.349  -5.897   2.207
    3    HB   VAL  83           HB       VAL  83  -5.820  -4.784   0.844
    4   HG11  VAL  83          HG11      VAL  83  -3.297  -4.941  -0.753
    5   HG12  VAL  83          HG12      VAL  83  -4.535  -3.695  -0.904
    6   HG13  VAL  83          HG13      VAL  83  -3.633  -3.866   0.603
    7   HG21  VAL  83          HG21      VAL  83  -6.595  -6.681  -0.467
    8   HG22  VAL  83          HG22      VAL  83  -6.275  -5.282  -1.494
    9   HG23  VAL  83          HG23      VAL  83  -5.124  -6.615  -1.437

  No H/Q in entry =           9
  In of MODEL    8
    1    H    ASN  84           H        ASN  84  -6.261  -6.620   2.908
    2    HA   ASN  84           HA       ASN  84  -7.155  -9.237   1.937
    3    HB2  ASN  84           HB2      ASN  84  -7.407  -8.199   4.775
    4    HB3  ASN  84           HB3      ASN  84  -7.729  -9.831   4.216
    5   HD21  ASN  84          HD21      ASN  84  -5.202  -7.474   4.801
    6   HD22  ASN  84          HD22      ASN  84  -3.914  -8.617   4.986

  No H/Q in entry =           6
  In of MODEL    8
    1    H    HIS  85           H        HIS  85  -9.201  -9.121   1.044
    2    HA   HIS  85           HA       HIS  85 -11.194  -7.599   2.535
    3    HB2  HIS  85           HB2      HIS  85 -10.286  -6.335   0.408
    4    HB3  HIS  85           HB3      HIS  85 -11.253  -7.508  -0.465
    5    HD2  HIS  85           HD2      HIS  85 -11.895  -4.713   2.265
    6    HE1  HIS  85           HE1      HIS  85 -15.390  -5.387  -0.022
    7    HE2  HIS  85           HE2      HIS  85 -14.373  -4.046   1.873

  No H/Q in entry =           7
  In of MODEL    8
    1    H    VAL  86           H        VAL  86 -13.442  -8.312   1.806
    2    HA   VAL  86           HA       VAL  86 -13.532 -11.129   1.907
    3    HB   VAL  86           HB       VAL  86 -15.948 -10.925   1.744
    4   HG11  VAL  86          HG11      VAL  86 -14.910 -10.455   3.891
    5   HG12  VAL  86          HG12      VAL  86 -14.739  -8.755   3.453
    6   HG13  VAL  86          HG13      VAL  86 -16.344  -9.454   3.662
    7   HG21  VAL  86          HG21      VAL  86 -16.103  -9.237  -0.008
    8   HG22  VAL  86          HG22      VAL  86 -17.038  -8.755   1.408
    9   HG23  VAL  86          HG23      VAL  86 -15.470  -8.014   1.096

  No H/Q in entry =           9
  In of MODEL    8
    1    H    THR  87           H        THR  87 -13.491  -8.865  -0.734
    2    HA   THR  87           HA       THR  87 -14.625 -10.551  -2.692
    3    HB   THR  87           HB       THR  87 -13.716  -8.981  -4.309
    4    HG1  THR  87           HG1      THR  87 -11.672  -8.564  -3.525
    5   HG21  THR  87          HG21      THR  87 -15.686  -8.291  -3.013
    6   HG22  THR  87          HG22      THR  87 -14.619  -7.538  -1.824
    7   HG23  THR  87          HG23      THR  87 -14.681  -6.915  -3.472

  No H/Q in entry =           7
  In of MODEL    8
    1    H    LEU  88           H        LEU  88 -11.321  -9.942  -1.632
    2    HA   LEU  88           HA       LEU  88 -10.202 -11.583  -3.708
    3    HB2  LEU  88           HB2      LEU  88  -8.923 -10.260  -1.300
    4    HB3  LEU  88           HB3      LEU  88  -8.040 -11.113  -2.549
    5    HG   LEU  88           HG       LEU  88  -9.561  -8.523  -2.827
    6   HD11  LEU  88          HD11      LEU  88  -7.226  -8.501  -1.862
    7   HD12  LEU  88          HD12      LEU  88  -6.665  -9.119  -3.424
    8   HD13  LEU  88          HD13      LEU  88  -7.455  -7.538  -3.336
    9   HD21  LEU  88          HD21      LEU  88  -8.296 -10.220  -4.974
   10   HD22  LEU  88          HD22      LEU  88 -10.014  -9.862  -4.787
   11   HD23  LEU  88          HD23      LEU  88  -8.880  -8.572  -5.195

  No H/Q in entry =          11
  In of MODEL    8
    1    H    SER  89           H        SER  89 -10.791 -13.684  -3.433
    2    HA   SER  89           HA       SER  89 -11.078 -14.968  -0.936
    3    HB2  SER  89           HB2      SER  89 -10.959 -17.079  -2.442
    4    HB3  SER  89           HB3      SER  89 -12.281 -15.943  -2.687
    5    HG   SER  89           HG       SER  89 -10.141 -16.565  -4.343

  No H/Q in entry =           5
  In of MODEL    8
    1    H    GLN  90           H        GLN  90  -8.385 -13.923  -2.506
    2    HA   GLN  90           HA       GLN  90  -6.695 -15.290  -0.579
    3    HB2  GLN  90           HB2      GLN  90  -5.614 -14.651  -3.305
    4    HB3  GLN  90           HB3      GLN  90  -4.979 -15.764  -2.111
    5    HG2  GLN  90           HG2      GLN  90  -6.413 -17.458  -2.726
    6    HG3  GLN  90           HG3      GLN  90  -7.576 -16.347  -3.463
    7   HE21  GLN  90          HE21      GLN  90  -7.614 -17.466  -5.396
    8   HE22  GLN  90          HE22      GLN  90  -6.286 -17.452  -6.506

  No H/Q in entry =           8
  In of MODEL    8
    1    HA   PRO  91           HA       PRO  91  -5.999 -10.762   0.056
    2    HB2  PRO  91           HB2      PRO  91  -3.592 -12.094   1.286
    3    HB3  PRO  91           HB3      PRO  91  -4.503 -10.676   1.847
    4    HG2  PRO  91           HG2      PRO  91  -4.961 -12.989   2.991
    5    HG3  PRO  91           HG3      PRO  91  -6.338 -11.958   2.506
    6    HD2  PRO  91           HD2      PRO  91  -5.239 -14.444   1.183
    7    HD3  PRO  91           HD3      PRO  91  -6.947 -13.930   1.363

  No H/Q in entry =           7
  In of MODEL    8
    1    H    LYS  92           H        LYS  92  -4.362  -9.301  -0.755
    2    HA   LYS  92           HA       LYS  92  -3.141 -10.537  -3.130
    3    HB2  LYS  92           HB2      LYS  92  -5.139  -9.020  -3.443
    4    HB3  LYS  92           HB3      LYS  92  -4.094  -7.703  -2.911
    5    HG2  LYS  92           HG2      LYS  92  -4.134  -7.873  -5.340
    6    HG3  LYS  92           HG3      LYS  92  -2.524  -8.238  -4.683
    7    HD2  LYS  92           HD2      LYS  92  -2.571 -10.294  -5.505
    8    HD3  LYS  92           HD3      LYS  92  -4.131 -10.603  -4.750
    9    HE2  LYS  92           HE2      LYS  92  -5.287  -9.537  -6.592
   10    HE3  LYS  92           HE3      LYS  92  -3.743  -9.199  -7.386
   11    HZ1  LYS  92           HZ1      LYS  92  -4.732 -11.928  -6.743
   12    HZ2  LYS  92           HZ2      LYS  92  -4.890 -11.187  -8.260
   13    HZ3  LYS  92           HZ3      LYS  92  -3.351 -11.536  -7.645

  No H/Q in entry =          13
  In of MODEL    8
    1    H    ILE  93           H        ILE  93  -1.000 -10.333  -3.313
    2    HA   ILE  93           HA       ILE  93   0.281  -8.110  -1.881
    3    HB   ILE  93           HB       ILE  93   1.474 -10.750  -2.723
    4   HG12  ILE  93          HG12      ILE  93   1.984 -10.791  -0.174
    5   HG13  ILE  93          HG13      ILE  93   0.718  -9.582  -0.059
    6   HG21  ILE  93          HG21      ILE  93   3.070  -8.935  -3.054
    7   HG22  ILE  93          HG22      ILE  93   2.830  -8.422  -1.380
    8   HG23  ILE  93          HG23      ILE  93   3.560  -9.992  -1.726
    9   HD11  ILE  93          HD11      ILE  93   0.410 -12.354  -1.179
   10   HD12  ILE  93          HD12      ILE  93  -0.116 -11.810   0.414
   11   HD13  ILE  93          HD13      ILE  93  -0.866 -11.145  -1.037

  No H/Q in entry =          11
  In of MODEL    8
    1    H    VAL  94           H        VAL  94   1.229  -6.622  -3.030
    2    HA   VAL  94           HA       VAL  94   2.178  -7.258  -5.733
    3    HB   VAL  94           HB       VAL  94   0.845  -4.671  -4.876
    4   HG11  VAL  94          HG11      VAL  94   2.721  -4.233  -6.373
    5   HG12  VAL  94          HG12      VAL  94   2.090  -5.410  -7.524
    6   HG13  VAL  94          HG13      VAL  94   1.185  -3.933  -7.188
    7   HG21  VAL  94          HG21      VAL  94  -0.739  -6.471  -5.331
    8   HG22  VAL  94          HG22      VAL  94  -0.824  -5.222  -6.575
    9   HG23  VAL  94          HG23      VAL  94   0.010  -6.741  -6.906

  No H/Q in entry =           9
  In of MODEL    8
    1    H    LYS  95           H        LYS  95   4.223  -6.714  -6.053
    2    HA   LYS  95           HA       LYS  95   5.755  -5.859  -3.761
    3    HB2  LYS  95           HB2      LYS  95   7.583  -6.680  -4.846
    4    HB3  LYS  95           HB3      LYS  95   6.368  -7.497  -5.814
    5    HG2  LYS  95           HG2      LYS  95   6.533  -5.770  -7.515
    6    HG3  LYS  95           HG3      LYS  95   7.708  -4.898  -6.528
    7    HD2  LYS  95           HD2      LYS  95   8.768  -7.414  -6.637
    8    HD3  LYS  95           HD3      LYS  95   8.055  -7.241  -8.236
    9    HE2  LYS  95           HE2      LYS  95  10.507  -6.214  -7.278
   10    HE3  LYS  95           HE3      LYS  95   9.797  -6.017  -8.880
   11    HZ1  LYS  95           HZ1      LYS  95   8.487  -4.128  -7.698
   12    HZ2  LYS  95           HZ2      LYS  95   9.752  -4.192  -6.565
   13    HZ3  LYS  95           HZ3      LYS  95  10.078  -3.857  -8.202

  No H/Q in entry =          13
  In of MODEL    8
    1    H    TRP  96           H        TRP  96   7.052  -3.922  -3.657
    2    HA   TRP  96           HA       TRP  96   5.734  -1.686  -4.885
    3    HB2  TRP  96           HB2      TRP  96   6.547  -1.486  -2.576
    4    HB3  TRP  96           HB3      TRP  96   8.193  -1.867  -3.085
    5    HD1  TRP  96           HD1      TRP  96   5.530   0.843  -3.838
    6    HE1  TRP  96           HE1      TRP  96   6.737   3.053  -4.236
    7    HE3  TRP  96           HE3      TRP  96  10.330  -0.810  -3.359
    8    HZ2  TRP  96           HZ2      TRP  96   9.415   4.003  -4.285
    9    HZ3  TRP  96           HZ3      TRP  96  12.170   0.801  -3.601
   10    HH2  TRP  96           HH2      TRP  96  11.712   3.174  -4.065

  No H/Q in entry =          10
  In of MODEL    8
    1    H    ASP  97           H        ASP  97   6.270  -0.891  -6.830
    2    HA   ASP  97           HA       ASP  97   9.051  -1.267  -7.701
    3    HB2  ASP  97           HB2      ASP  97   8.376  -1.584  -9.957
    4    HB3  ASP  97           HB3      ASP  97   7.364  -2.646  -8.987

  No H/Q in entry =           4
  In of MODEL    8
    1    H    ARG  98           H        ARG  98  10.109   0.408  -8.435
    2    HA   ARG  98           HA       ARG  98   8.775   3.012  -8.422
    3    HB2  ARG  98           HB2      ARG  98  10.930   3.977  -8.202
    4    HB3  ARG  98           HB3      ARG  98  10.957   2.567  -7.169
    5    HG2  ARG  98           HG2      ARG  98  12.895   2.090  -8.139
    6    HG3  ARG  98           HG3      ARG  98  11.927   1.570  -9.520
    7    HD2  ARG  98           HD2      ARG  98  13.741   3.110 -10.170
    8    HD3  ARG  98           HD3      ARG  98  12.140   3.759 -10.539
    9    HE   ARG  98           HE       ARG  98  13.500   4.565  -8.062
   10   HH11  ARG  98          HH11      ARG  98  12.283   5.381 -11.241
   11   HH12  ARG  98          HH12      ARG  98  12.360   7.094 -10.964
   12   HH21  ARG  98          HH21      ARG  98  13.623   6.821  -7.707
   13   HH22  ARG  98          HH22      ARG  98  13.128   7.908  -8.974

  No H/Q in entry =          13
  In of MODEL    8
    1    H    ASP  99           H        ASP  99  10.175   0.621 -10.358
    2    HA   ASP  99           HA       ASP  99   8.922   1.429 -12.734
    3    HB2  ASP  99           HB2      ASP  99  10.706   3.120 -12.825
    4    HB3  ASP  99           HB3      ASP  99  11.922   1.865 -12.619

  No H/Q in entry =           4
  In of MODEL    8
    1    H    MET 100           H        MET 100  10.599  -0.596 -10.745
    2    HA   MET 100           HA       MET 100  10.762  -2.729 -12.725
    3    HB2  MET 100           HB2      MET 100  13.004  -3.397 -11.497
    4    HB3  MET 100           HB3      MET 100  13.051  -2.038 -12.631
    5    HG2  MET 100           HG2      MET 100  12.724  -0.525 -10.647
    6    HG3  MET 100           HG3      MET 100  12.967  -1.946  -9.632
    7    HE1  MET 100           HE1      MET 100  14.944  -0.702  -8.378
    8    HE2  MET 100           HE2      MET 100  16.321   0.028  -9.201
    9    HE3  MET 100           HE3      MET 100  14.708   0.714  -9.401

  No H/Q in entry =           9
  In of MODEL    9
    1    HA   ILE   2           HA       ILE   2 -22.827  -6.024  -4.733
    2    HB   ILE   2           HB       ILE   2 -23.808  -5.294  -2.494
    3   HG12  ILE   2          HG12      ILE   2 -23.957  -8.296  -2.088
    4   HG13  ILE   2          HG13      ILE   2 -23.036  -7.164  -1.100
    5   HG21  ILE   2          HG21      ILE   2 -25.254  -7.348  -4.157
    6   HG22  ILE   2          HG22      ILE   2 -26.027  -6.228  -3.035
    7   HG23  ILE   2          HG23      ILE   2 -25.175  -5.610  -4.452
    8   HD11  ILE   2          HD11      ILE   2 -25.129  -6.102  -0.399
    9   HD12  ILE   2          HD12      ILE   2 -26.032  -7.278  -1.354
   10   HD13  ILE   2          HD13      ILE   2 -25.068  -7.814   0.022

  No H/Q in entry =          10
  In of MODEL    9
    1    H    GLN   3           H        GLN   3 -20.346  -6.549  -4.748
    2    HA   GLN   3           HA       GLN   3 -19.156  -4.814  -2.794
    3    HB2  GLN   3           HB2      GLN   3 -19.289  -7.349  -1.916
    4    HB3  GLN   3           HB3      GLN   3 -17.837  -7.495  -2.892
    5    HG2  GLN   3           HG2      GLN   3 -17.021  -7.018  -0.784
    6    HG3  GLN   3           HG3      GLN   3 -16.998  -5.450  -1.587
    7   HE21  GLN   3          HE21      GLN   3 -18.457  -3.861  -0.923
    8   HE22  GLN   3          HE22      GLN   3 -19.341  -3.981   0.555

  No H/Q in entry =           8
  In of MODEL    9
    1    H    ARG   4           H        ARG   4 -16.895  -4.259  -3.470
    2    HA   ARG   4           HA       ARG   4 -16.405  -5.054  -6.255
    3    HB2  ARG   4           HB2      ARG   4 -17.030  -2.803  -6.402
    4    HB3  ARG   4           HB3      ARG   4 -16.128  -2.372  -4.950
    5    HG2  ARG   4           HG2      ARG   4 -14.384  -1.773  -6.255
    6    HG3  ARG   4           HG3      ARG   4 -14.225  -3.456  -6.654
    7    HD2  ARG   4           HD2      ARG   4 -15.991  -1.593  -8.235
    8    HD3  ARG   4           HD3      ARG   4 -14.339  -2.034  -8.672
    9    HE   ARG   4           HE       ARG   4 -15.570  -4.435  -8.363
   10   HH11  ARG   4          HH11      ARG   4 -16.341  -1.573 -10.217
   11   HH12  ARG   4          HH12      ARG   4 -17.148  -2.451 -11.478
   12   HH21  ARG   4          HH21      ARG   4 -16.601  -5.602 -10.029
   13   HH22  ARG   4          HH22      ARG   4 -17.275  -4.749 -11.386

  No H/Q in entry =          13
  In of MODEL    9
    1    H    THR   5           H        THR   5 -14.354  -5.502  -6.882
    2    HA   THR   5           HA       THR   5 -12.495  -6.243  -4.930
    3    HB   THR   5           HB       THR   5 -11.008  -6.829  -6.735
    4    HG1  THR   5           HG1      THR   5 -11.509  -4.844  -7.974
    5   HG21  THR   5          HG21      THR   5 -13.909  -7.415  -7.250
    6   HG22  THR   5          HG22      THR   5 -12.625  -8.103  -8.239
    7   HG23  THR   5          HG23      THR   5 -12.686  -8.454  -6.517

  No H/Q in entry =           7
  In of MODEL    9
    1    HA   PRO   6           HA       PRO   6 -10.474  -2.241  -4.495
    2    HB2  PRO   6           HB2      PRO   6  -8.909  -3.504  -2.404
    3    HB3  PRO   6           HB3      PRO   6 -10.121  -2.232  -2.249
    4    HG2  PRO   6           HG2      PRO   6 -10.459  -4.797  -1.309
    5    HG3  PRO   6           HG3      PRO   6 -11.802  -3.712  -1.749
    6    HD2  PRO   6           HD2      PRO   6 -10.582  -5.978  -3.296
    7    HD3  PRO   6           HD3      PRO   6 -12.282  -5.451  -3.186

  No H/Q in entry =           7
  In of MODEL    9
    1    H    LYS   7           H        LYS   7  -8.755  -1.701  -5.716
    2    HA   LYS   7           HA       LYS   7  -7.034  -3.893  -6.617
    3    HB2  LYS   7           HB2      LYS   7  -8.305  -2.530  -8.300
    4    HB3  LYS   7           HB3      LYS   7  -7.382  -1.121  -7.803
    5    HG2  LYS   7           HG2      LYS   7  -5.312  -2.321  -8.492
    6    HG3  LYS   7           HG3      LYS   7  -6.334  -3.607  -9.130
    7    HD2  LYS   7           HD2      LYS   7  -6.470  -0.722 -10.005
    8    HD3  LYS   7           HD3      LYS   7  -5.564  -1.976 -10.847
    9    HE2  LYS   7           HE2      LYS   7  -7.597  -1.800 -12.011
   10    HE3  LYS   7           HE3      LYS   7  -7.763  -3.242 -11.013
   11    HZ1  LYS   7           HZ1      LYS   7  -8.844  -0.563 -10.306
   12    HZ2  LYS   7           HZ2      LYS   7  -9.751  -1.826 -10.992
   13    HZ3  LYS   7           HZ3      LYS   7  -9.081  -2.005  -9.448

  No H/Q in entry =          13
  In of MODEL    9
    1    H    ILE   8           H        ILE   8  -4.752  -3.517  -6.858
    2    HA   ILE   8           HA       ILE   8  -3.790  -2.052  -4.514
    3    HB   ILE   8           HB       ILE   8  -2.072  -3.876  -6.157
    4   HG12  ILE   8          HG12      ILE   8  -4.051  -5.200  -5.779
    5   HG13  ILE   8          HG13      ILE   8  -2.802  -5.749  -4.676
    6   HG21  ILE   8          HG21      ILE   8  -1.033  -2.554  -4.399
    7   HG22  ILE   8          HG22      ILE   8  -2.171  -3.208  -3.218
    8   HG23  ILE   8          HG23      ILE   8  -0.997  -4.271  -3.995
    9   HD11  ILE   8          HD11      ILE   8  -5.090  -3.931  -3.985
   10   HD12  ILE   8          HD12      ILE   8  -4.954  -5.646  -3.584
   11   HD13  ILE   8          HD13      ILE   8  -3.832  -4.483  -2.876

  No H/Q in entry =          11
  In of MODEL    9
    1    H    GLN   9           H        GLN   9  -2.976  -0.110  -4.811
    2    HA   GLN   9           HA       GLN   9  -1.199   0.282  -7.116
    3    HB2  GLN   9           HB2      GLN   9  -3.122   2.225  -5.848
    4    HB3  GLN   9           HB3      GLN   9  -1.811   2.743  -6.918
    5    HG2  GLN   9           HG2      GLN   9  -2.775   1.345  -8.698
    6    HG3  GLN   9           HG3      GLN   9  -4.094   0.902  -7.615
    7   HE21  GLN   9          HE21      GLN   9  -2.643   4.079  -7.748
    8   HE22  GLN   9          HE22      GLN   9  -4.024   4.891  -8.412

  No H/Q in entry =           8
  In of MODEL    9
    1    H    VAL  10           H        VAL  10   0.829   0.531  -6.502
    2    HA   VAL  10           HA       VAL  10   1.423   1.834  -3.957
    3    HB   VAL  10           HB       VAL  10   1.522  -0.392  -3.199
    4   HG11  VAL  10          HG11      VAL  10   1.339  -1.443  -5.429
    5   HG12  VAL  10          HG12      VAL  10   3.072  -1.195  -5.650
    6   HG13  VAL  10          HG13      VAL  10   2.486  -2.247  -4.357
    7   HG21  VAL  10          HG21      VAL  10   4.307   0.392  -4.053
    8   HG22  VAL  10          HG22      VAL  10   3.506   0.781  -2.530
    9   HG23  VAL  10          HG23      VAL  10   3.939  -0.890  -2.897

  No H/Q in entry =           9
  In of MODEL    9
    1    H    TYR  11           H        TYR  11   3.018   3.221  -4.112
    2    HA   TYR  11           HA       TYR  11   5.120   2.992  -6.047
    3    HB2  TYR  11           HB2      TYR  11   4.621   5.014  -7.293
    4    HB3  TYR  11           HB3      TYR  11   3.247   3.925  -7.407
    5    HD1  TYR  11           HD1      TYR  11   1.114   4.506  -6.371
    6    HD2  TYR  11           HD2      TYR  11   4.472   7.095  -6.052
    7    HE1  TYR  11           HE1      TYR  11  -0.362   6.322  -5.617
    8    HE2  TYR  11           HE2      TYR  11   3.007   8.915  -5.300
    9    HH   TYR  11           HH       TYR  11   0.731   9.589  -5.362

  No H/Q in entry =           9
  In of MODEL    9
    1    H    SER  12           H        SER  12   6.592   4.930  -5.894
    2    HA   SER  12           HA       SER  12   7.042   5.520  -3.114
    3    HB2  SER  12           HB2      SER  12   8.968   6.885  -4.501
    4    HB3  SER  12           HB3      SER  12   9.085   5.147  -4.179
    5    HG   SER  12           HG       SER  12   8.373   6.504  -6.533

  No H/Q in entry =           5
  In of MODEL    9
    1    H    ARG  13           H        ARG  13   6.696   7.417  -2.056
    2    HA   ARG  13           HA       ARG  13   4.901   9.330  -3.106
    3    HB2  ARG  13           HB2      ARG  13   5.404   8.801  -0.643
    4    HB3  ARG  13           HB3      ARG  13   6.850   9.765  -0.826
    5    HG2  ARG  13           HG2      ARG  13   4.115  10.930  -1.290
    6    HG3  ARG  13           HG3      ARG  13   4.866  10.850   0.296
    7    HD2  ARG  13           HD2      ARG  13   5.980  12.247  -2.126
    8    HD3  ARG  13           HD3      ARG  13   5.243  13.014  -0.722
    9    HE   ARG  13           HE       ARG  13   7.882  11.773  -0.852
   10   HH11  ARG  13          HH11      ARG  13   5.409  13.285   1.108
   11   HH12  ARG  13          HH12      ARG  13   6.523  13.806   2.336
   12   HH21  ARG  13          HH21      ARG  13   9.353  12.425   0.767
   13   HH22  ARG  13          HH22      ARG  13   8.771  13.333   2.135

  No H/Q in entry =          13
  In of MODEL    9
    1    H    HIS  14           H        HIS  14   8.385   9.471  -2.654
    2    HA   HIS  14           HA       HIS  14   8.516  11.554  -4.709
    3    HB2  HIS  14           HB2      HIS  14   9.964  11.378  -2.088
    4    HB3  HIS  14           HB3      HIS  14  10.803  12.099  -3.457
    5    HD2  HIS  14           HD2      HIS  14   7.414  13.297  -4.077
    6    HE1  HIS  14           HE1      HIS  14   8.943  15.965  -1.169
    7    HE2  HIS  14           HE2      HIS  14   7.029  15.502  -2.768

  No H/Q in entry =           7
  In of MODEL    9
    1    HA   PRO  15           HA       PRO  15  11.443   9.046  -6.982
    2    HB2  PRO  15           HB2      PRO  15  13.943  10.270  -6.715
    3    HB3  PRO  15           HB3      PRO  15  12.745  10.609  -7.978
    4    HG2  PRO  15           HG2      PRO  15  13.331  12.141  -5.454
    5    HG3  PRO  15           HG3      PRO  15  12.814  12.738  -7.065
    6    HD2  PRO  15           HD2      PRO  15  11.095  12.565  -4.973
    7    HD3  PRO  15           HD3      PRO  15  10.571  12.268  -6.657

  No H/Q in entry =           7
  In of MODEL    9
    1    H    ALA  16           H        ALA  16  12.168   7.148  -6.376
    2    HA   ALA  16           HA       ALA  16  12.977   6.540  -3.750
    3    HB1  ALA  16           HB1      ALA  16  11.789   4.968  -5.236
    4    HB2  ALA  16           HB2      ALA  16  13.233   4.870  -6.242
    5    HB3  ALA  16           HB3      ALA  16  13.278   4.287  -4.580

  No H/Q in entry =           5
  In of MODEL    9
    1    H    GLU  17           H        GLU  17  14.968   6.304  -2.905
    2    HA   GLU  17           HA       GLU  17  17.263   6.265  -4.713
    3    HB2  GLU  17           HB2      GLU  17  16.856   8.584  -3.846
    4    HB3  GLU  17           HB3      GLU  17  17.129   7.959  -2.223
    5    HG2  GLU  17           HG2      GLU  17  19.126   9.033  -3.107
    6    HG3  GLU  17           HG3      GLU  17  19.384   7.308  -2.834

  No H/Q in entry =           6
  In of MODEL    9
    1    H    ASN  18           H        ASN  18  18.696   4.771  -4.207
    2    HA   ASN  18           HA       ASN  18  18.285   3.108  -1.889
    3    HB2  ASN  18           HB2      ASN  18  18.843   1.819  -3.715
    4    HB3  ASN  18           HB3      ASN  18  20.033   2.972  -4.320
    5   HD21  ASN  18          HD21      ASN  18  21.634   1.477  -4.573
    6   HD22  ASN  18          HD22      ASN  18  22.429   0.697  -3.243

  No H/Q in entry =           6
  In of MODEL    9
    1    H    GLY  19           H        GLY  19  19.202   3.271  -0.041
    2    HA2  GLY  19           HA2      GLY  19  21.779   4.629   0.291
    3    HA3  GLY  19           HA3      GLY  19  20.918   3.695   1.524

  No H/Q in entry =           3
  In of MODEL    9
    1    H    LYS  20           H        LYS  20  18.477   5.250   0.449
    2    HA   LYS  20           HA       LYS  20  18.911   7.726   1.975
    3    HB2  LYS  20           HB2      LYS  20  18.988   8.080  -0.472
    4    HB3  LYS  20           HB3      LYS  20  17.403   7.343  -0.610
    5    HG2  LYS  20           HG2      LYS  20  16.900   9.586  -0.690
    6    HG3  LYS  20           HG3      LYS  20  16.620   9.183   1.003
    7    HD2  LYS  20           HD2      LYS  20  18.805  10.099   1.591
    8    HD3  LYS  20           HD3      LYS  20  19.110  10.480  -0.103
    9    HE2  LYS  20           HE2      LYS  20  16.927  11.633   1.638
   10    HE3  LYS  20           HE3      LYS  20  18.367  12.473   1.059
   11    HZ1  LYS  20           HZ1      LYS  20  16.194  11.394  -0.668
   12    HZ2  LYS  20           HZ2      LYS  20  16.415  13.026  -0.263
   13    HZ3  LYS  20           HZ3      LYS  20  17.572  12.219  -1.207

  No H/Q in entry =          13
  In of MODEL    9
    1    H    SER  21           H        SER  21  17.217   8.360   3.240
    2    HA   SER  21           HA       SER  21  15.114   6.481   3.717
    3    HB2  SER  21           HB2      SER  21  15.650   9.235   4.813
    4    HB3  SER  21           HB3      SER  21  14.375   8.162   5.389
    5    HG   SER  21           HG       SER  21  16.294   6.612   5.614

  No H/Q in entry =           5
  In of MODEL    9
    1    H    ASN  22           H        ASN  22  13.054   6.621   3.114
    2    HA   ASN  22           HA       ASN  22  12.183   8.830   1.387
    3    HB2  ASN  22           HB2      ASN  22  13.444   6.882   0.115
    4    HB3  ASN  22           HB3      ASN  22  11.967   5.977   0.419
    5   HD21  ASN  22          HD21      ASN  22  10.363   6.162  -0.967
    6   HD22  ASN  22          HD22      ASN  22  10.265   7.334  -2.228

  No H/Q in entry =           6
  In of MODEL    9
    1    H    PHE  23           H        PHE  23   9.783   8.209   0.603
    2    HA   PHE  23           HA       PHE  23   8.441   6.999   2.929
    3    HB2  PHE  23           HB2      PHE  23   7.696   9.456   1.349
    4    HB3  PHE  23           HB3      PHE  23   6.517   8.577   2.302
    5    HD1  PHE  23           HD1      PHE  23   6.147   9.204   4.463
    6    HD2  PHE  23           HD2      PHE  23   9.828  10.267   2.627
    7    HE1  PHE  23           HE1      PHE  23   6.716  10.585   6.420
    8    HE2  PHE  23           HE2      PHE  23  10.413  11.643   4.582
    9    HZ   PHE  23           HZ       PHE  23   8.858  11.800   6.484

  No H/Q in entry =           9
  In of MODEL    9
    1    H    LEU  24           H        LEU  24   7.212   5.316   2.411
    2    HA   LEU  24           HA       LEU  24   6.670   4.668  -0.374
    3    HB2  LEU  24           HB2      LEU  24   7.027   3.243   1.983
    4    HB3  LEU  24           HB3      LEU  24   5.326   3.041   1.628
    5    HG   LEU  24           HG       LEU  24   7.669   2.219  -0.109
    6   HD11  LEU  24          HD11      LEU  24   5.541   0.645   1.343
    7   HD12  LEU  24          HD12      LEU  24   6.745  -0.044   0.255
    8   HD13  LEU  24          HD13      LEU  24   7.252   0.727   1.759
    9   HD21  LEU  24          HD21      LEU  24   4.716   2.128  -0.713
   10   HD22  LEU  24          HD22      LEU  24   5.985   2.942  -1.632
   11   HD23  LEU  24          HD23      LEU  24   5.932   1.181  -1.573

  No H/Q in entry =          11
  In of MODEL    9
    1    H    ASN  25           H        ASN  25   4.505   4.265  -1.127
    2    HA   ASN  25           HA       ASN  25   2.331   5.199   0.587
    3    HB2  ASN  25           HB2      ASN  25   3.066   6.413  -2.044
    4    HB3  ASN  25           HB3      ASN  25   1.356   6.221  -1.684
    5   HD21  ASN  25          HD21      ASN  25   2.782   8.665  -2.033
    6   HD22  ASN  25          HD22      ASN  25   2.637   9.548  -0.554

  No H/Q in entry =           6
  In of MODEL    9
    1    H    CYS  26           H        CYS  26   0.722   3.779   0.607
    2    HA   CYS  26           HA       CYS  26   0.387   1.990  -1.703
    3    HB2  CYS  26           HB2      CYS  26   1.367   0.997   0.487
    4    HB3  CYS  26           HB3      CYS  26  -0.282   1.159   1.103

  No H/Q in entry =           4
  In of MODEL    9
    1    H    TYR  27           H        TYR  27  -1.539   2.214  -2.615
    2    HA   TYR  27           HA       TYR  27  -3.607   3.678  -1.104
    3    HB2  TYR  27           HB2      TYR  27  -2.558   4.030  -3.882
    4    HB3  TYR  27           HB3      TYR  27  -4.259   4.343  -3.591
    5    HD1  TYR  27           HD1      TYR  27  -4.944   6.236  -2.151
    6    HD2  TYR  27           HD2      TYR  27  -0.846   5.559  -3.108
    7    HE1  TYR  27           HE1      TYR  27  -4.422   8.564  -1.564
    8    HE2  TYR  27           HE2      TYR  27  -0.319   7.877  -2.506
    9    HH   TYR  27           HH       TYR  27  -2.572   9.934  -0.900

  No H/Q in entry =           9
  In of MODEL    9
    1    H    VAL  28           H        VAL  28  -4.994   2.066  -0.572
    2    HA   VAL  28           HA       VAL  28  -5.956   0.380  -2.784
    3    HB   VAL  28           HB       VAL  28  -6.602  -0.202   0.090
    4   HG11  VAL  28          HG11      VAL  28  -6.265  -1.913  -2.363
    5   HG12  VAL  28          HG12      VAL  28  -6.722  -2.501  -0.762
    6   HG13  VAL  28          HG13      VAL  28  -7.795  -1.411  -1.644
    7   HG21  VAL  28          HG21      VAL  28  -4.047  -0.935  -1.326
    8   HG22  VAL  28          HG22      VAL  28  -4.220  -0.045   0.188
    9   HG23  VAL  28          HG23      VAL  28  -4.640  -1.760   0.119

  No H/Q in entry =           9
  In of MODEL    9
    1    H    SER  29           H        SER  29  -7.706   1.262  -3.675
    2    HA   SER  29           HA       SER  29  -9.852   2.243  -1.960
    3    HB2  SER  29           HB2      SER  29  -8.405   4.203  -2.464
    4    HB3  SER  29           HB3      SER  29  -8.664   3.926  -4.185
    5    HG   SER  29           HG       SER  29 -10.551   4.716  -2.215

  No H/Q in entry =           5
  In of MODEL    9
    1    H    GLY  30           H        GLY  30 -11.707   3.068  -3.560
    2    HA2  GLY  30           HA2      GLY  30 -11.888   1.408  -5.946
    3    HA3  GLY  30           HA3      GLY  30 -13.019   2.660  -5.460

  No H/Q in entry =           3
  In of MODEL    9
    1    H    PHE  31           H        PHE  31 -12.966   1.387  -2.675
    2    HA   PHE  31           HA       PHE  31 -14.625  -0.946  -3.321
    3    HB2  PHE  31           HB2      PHE  31 -13.662  -2.124  -1.407
    4    HB3  PHE  31           HB3      PHE  31 -12.374  -1.595  -2.509
    5    HD1  PHE  31           HD1      PHE  31 -13.878  -1.171   0.782
    6    HD2  PHE  31           HD2      PHE  31 -10.890   0.242  -1.894
    7    HE1  PHE  31           HE1      PHE  31 -12.787   0.015   2.635
    8    HE2  PHE  31           HE2      PHE  31  -9.800   1.438  -0.044
    9    HZ   PHE  31           HZ       PHE  31 -10.746   1.321   2.220

  No H/Q in entry =           9
  In of MODEL    9
    1    H    HIS  32           H        HIS  32 -15.672  -1.756  -1.171
    2    HA   HIS  32           HA       HIS  32 -16.359   0.222   0.784
    3    HB2  HIS  32           HB2      HIS  32 -18.858  -0.314   0.524
    4    HB3  HIS  32           HB3      HIS  32 -18.159   0.791  -0.646
    5    HD2  HIS  32           HD2      HIS  32 -17.533  -0.601  -3.187
    6    HE1  HIS  32           HE1      HIS  32 -20.865  -3.135  -2.589
    7    HE2  HIS  32           HE2      HIS  32 -19.403  -1.999  -4.318

  No H/Q in entry =           7
  In of MODEL    9
    1    HA   PRO  33           HA       PRO  33 -19.066  -0.658   2.223
    2    HB2  PRO  33           HB2      PRO  33 -18.039  -0.988   4.981
    3    HB3  PRO  33           HB3      PRO  33 -19.688  -1.139   4.364
    4    HG2  PRO  33           HG2      PRO  33 -18.297  -3.299   5.045
    5    HG3  PRO  33           HG3      PRO  33 -19.348  -3.309   3.616
    6    HD2  PRO  33           HD2      PRO  33 -16.369  -3.018   3.774
    7    HD3  PRO  33           HD3      PRO  33 -17.346  -3.987   2.650

  No H/Q in entry =           7
  In of MODEL    9
    1    H    SER  34           H        SER  34 -16.258  -0.216   4.528
    2    HA   SER  34           HA       SER  34 -15.730   2.350   3.355
    3    HB2  SER  34           HB2      SER  34 -16.130   3.499   5.574
    4    HB3  SER  34           HB3      SER  34 -17.607   2.947   4.779
    5    HG   SER  34           HG       SER  34 -16.649   2.270   7.195

  No H/Q in entry =           5
  In of MODEL    9
    1    H    ASP  35           H        ASP  35 -14.497  -0.302   4.056
    2    HA   ASP  35           HA       ASP  35 -12.088   0.635   5.328
    3    HB2  ASP  35           HB2      ASP  35 -12.154  -0.748   7.318
    4    HB3  ASP  35           HB3      ASP  35 -13.624   0.225   7.296

  No H/Q in entry =           4
  In of MODEL    9
    1    H    ILE  36           H        ILE  36 -10.351  -0.595   4.918
    2    HA   ILE  36           HA       ILE  36 -10.619  -3.417   4.216
    3    HB   ILE  36           HB       ILE  36 -10.478  -1.999   2.050
    4   HG12  ILE  36          HG12      ILE  36  -8.694  -4.284   2.819
    5   HG13  ILE  36          HG13      ILE  36 -10.088  -4.280   1.747
    6   HG21  ILE  36          HG21      ILE  36  -7.654  -1.692   3.074
    7   HG22  ILE  36          HG22      ILE  36  -8.166  -1.342   1.423
    8   HG23  ILE  36          HG23      ILE  36  -8.804  -0.389   2.761
    9   HD11  ILE  36          HD11      ILE  36  -7.422  -3.041   1.097
   10   HD12  ILE  36          HD12      ILE  36  -7.938  -4.645   0.586
   11   HD13  ILE  36          HD13      ILE  36  -8.799  -3.218   0.008

  No H/Q in entry =          11
  In of MODEL    9
    1    H    GLU  37           H        GLU  37  -8.569  -4.576   4.601
    2    HA   GLU  37           HA       GLU  37  -6.738  -3.027   6.283
    3    HB2  GLU  37           HB2      GLU  37  -8.041  -5.019   7.259
    4    HB3  GLU  37           HB3      GLU  37  -7.017  -6.017   6.238
    5    HG2  GLU  37           HG2      GLU  37  -6.212  -5.859   8.571
    6    HG3  GLU  37           HG3      GLU  37  -5.038  -5.270   7.394

  No H/Q in entry =           6
  In of MODEL    9
    1    H    VAL  38           H        VAL  38  -4.817  -2.679   5.452
    2    HA   VAL  38           HA       VAL  38  -3.732  -4.563   3.505
    3    HB   VAL  38           HB       VAL  38  -3.995  -3.123   1.832
    4   HG11  VAL  38          HG11      VAL  38  -4.621  -1.024   3.881
    5   HG12  VAL  38          HG12      VAL  38  -4.766  -0.796   2.137
    6   HG13  VAL  38          HG13      VAL  38  -5.755  -2.007   2.957
    7   HG21  VAL  38          HG21      VAL  38  -1.627  -2.640   2.199
    8   HG22  VAL  38          HG22      VAL  38  -2.465  -1.206   1.593
    9   HG23  VAL  38          HG23      VAL  38  -2.053  -1.337   3.306

  No H/Q in entry =           9
  In of MODEL    9
    1    H    ASP  39           H        ASP  39  -1.560  -4.814   3.519
    2    HA   ASP  39           HA       ASP  39  -0.082  -3.483   5.677
    3    HB2  ASP  39           HB2      ASP  39   0.023  -5.339   6.925
    4    HB3  ASP  39           HB3      ASP  39  -1.070  -6.119   5.801

  No H/Q in entry =           4
  In of MODEL    9
    1    H    LEU  40           H        LEU  40   2.127  -3.339   5.375
    2    HA   LEU  40           HA       LEU  40   2.923  -3.636   2.572
    3    HB2  LEU  40           HB2      LEU  40   4.351  -2.096   4.733
    4    HB3  LEU  40           HB3      LEU  40   4.614  -1.992   3.005
    5    HG   LEU  40           HG       LEU  40   2.184  -1.024   4.505
    6   HD11  LEU  40          HD11      LEU  40   4.441   0.441   3.139
    7   HD12  LEU  40          HD12      LEU  40   2.982   1.204   3.772
    8   HD13  LEU  40          HD13      LEU  40   4.102   0.395   4.871
    9   HD21  LEU  40          HD21      LEU  40   2.821  -0.953   1.566
   10   HD22  LEU  40          HD22      LEU  40   1.472  -1.779   2.349
   11   HD23  LEU  40          HD23      LEU  40   1.541  -0.013   2.338

  No H/Q in entry =          11
  In of MODEL    9
    1    H    LEU  41           H        LEU  41   4.731  -4.809   1.995
    2    HA   LEU  41           HA       LEU  41   5.830  -6.531   4.128
    3    HB2  LEU  41           HB2      LEU  41   5.878  -7.311   1.272
    4    HB3  LEU  41           HB3      LEU  41   5.945  -8.317   2.682
    5    HG   LEU  41           HG       LEU  41   3.479  -6.870   1.846
    6   HD11  LEU  41          HD11      LEU  41   4.365  -8.452   0.115
    7   HD12  LEU  41          HD12      LEU  41   4.176  -9.747   1.295
    8   HD13  LEU  41          HD13      LEU  41   2.766  -8.854   0.723
    9   HD21  LEU  41          HD21      LEU  41   3.966  -9.182   3.716
   10   HD22  LEU  41          HD22      LEU  41   3.498  -7.544   4.173
   11   HD23  LEU  41          HD23      LEU  41   2.379  -8.561   3.265

  No H/Q in entry =          11
  In of MODEL    9
    1    H    LYS  42           H        LYS  42   7.915  -7.353   3.796
    2    HA   LYS  42           HA       LYS  42   9.524  -6.088   1.712
    3    HB2  LYS  42           HB2      LYS  42  10.444  -6.933   4.446
    4    HB3  LYS  42           HB3      LYS  42  11.450  -6.222   3.197
    5    HG2  LYS  42           HG2      LYS  42   9.851  -4.200   3.322
    6    HG3  LYS  42           HG3      LYS  42   9.301  -4.918   4.800
    7    HD2  LYS  42           HD2      LYS  42  11.068  -3.261   5.224
    8    HD3  LYS  42           HD3      LYS  42  11.566  -4.883   5.718
    9    HE2  LYS  42           HE2      LYS  42  12.790  -5.151   3.613
   10    HE3  LYS  42           HE3      LYS  42  12.288  -3.538   3.113
   11    HZ1  LYS  42           HZ1      LYS  42  13.472  -2.705   5.145
   12    HZ2  LYS  42           HZ2      LYS  42  14.114  -4.262   5.336
   13    HZ3  LYS  42           HZ3      LYS  42  14.475  -3.362   3.940

  No H/Q in entry =          13
  In of MODEL    9
    1    H    ASN  43           H        ASN  43   9.876  -7.579   0.324
    2    HA   ASN  43           HA       ASN  43  10.488  -9.523  -0.714
    3    HB2  ASN  43           HB2      ASN  43  11.961  -9.541   1.751
    4    HB3  ASN  43           HB3      ASN  43  11.490 -11.184   1.331
    5   HD21  ASN  43          HD21      ASN  43  13.413  -8.442   0.477
    6   HD22  ASN  43          HD22      ASN  43  14.314  -9.214  -0.795

  No H/Q in entry =           6
  In of MODEL    9
    1    H    GLY  44           H        GLY  44   8.561  -9.697   2.120
    2    HA2  GLY  44           HA2      GLY  44   7.778 -12.450   1.774
    3    HA3  GLY  44           HA3      GLY  44   6.561 -11.275   1.275

  No H/Q in entry =           3
  In of MODEL    9
    1    H    GLU  45           H        GLU  45   8.355  -9.902   3.704
    2    HA   GLU  45           HA       GLU  45   6.715 -11.079   5.837
    3    HB2  GLU  45           HB2      GLU  45   9.368  -9.675   5.992
    4    HB3  GLU  45           HB3      GLU  45   8.591 -10.591   7.276
    5    HG2  GLU  45           HG2      GLU  45   9.390 -11.792   4.655
    6    HG3  GLU  45           HG3      GLU  45  10.485 -11.685   6.008

  No H/Q in entry =           6
  In of MODEL    9
    1    H    ARG  46           H        ARG  46   5.597  -9.774   7.182
    2    HA   ARG  46           HA       ARG  46   4.692  -7.312   6.240
    3    HB2  ARG  46           HB2      ARG  46   3.395  -8.799   7.702
    4    HB3  ARG  46           HB3      ARG  46   4.522  -8.489   9.016
    5    HG2  ARG  46           HG2      ARG  46   3.816  -6.204   9.178
    6    HG3  ARG  46           HG3      ARG  46   2.851  -6.343   7.713
    7    HD2  ARG  46           HD2      ARG  46   1.211  -7.651   8.773
    8    HD3  ARG  46           HD3      ARG  46   2.286  -8.065  10.109
    9    HE   ARG  46           HE       ARG  46   2.007  -5.817  10.950
   10   HH11  ARG  46          HH11      ARG  46  -0.186  -6.723   8.376
   11   HH12  ARG  46          HH12      ARG  46  -1.406  -5.569   8.827
   12   HH21  ARG  46          HH21      ARG  46   0.382  -4.327  11.578
   13   HH22  ARG  46          HH22      ARG  46  -1.094  -4.229  10.663

  No H/Q in entry =          13
  In of MODEL    9
    1    H    ILE  47           H        ILE  47   5.148  -5.236   6.688
    2    HA   ILE  47           HA       ILE  47   7.510  -4.587   8.272
    3    HB   ILE  47           HB       ILE  47   5.673  -2.787   6.668
    4   HG12  ILE  47          HG12      ILE  47   8.453  -3.689   5.950
    5   HG13  ILE  47          HG13      ILE  47   7.006  -4.443   5.300
    6   HG21  ILE  47          HG21      ILE  47   8.347  -2.236   7.951
    7   HG22  ILE  47          HG22      ILE  47   7.472  -1.119   6.903
    8   HG23  ILE  47          HG23      ILE  47   6.785  -1.593   8.460
    9   HD11  ILE  47          HD11      ILE  47   6.346  -2.151   4.472
   10   HD12  ILE  47          HD12      ILE  47   7.981  -1.641   4.868
   11   HD13  ILE  47          HD13      ILE  47   7.711  -2.902   3.662

  No H/Q in entry =          11
  In of MODEL    9
    1    H    GLU  48           H        GLU  48   7.352  -3.491  10.242
    2    HA   GLU  48           HA       GLU  48   4.659  -3.402  11.338
    3    HB2  GLU  48           HB2      GLU  48   6.343  -2.830  13.410
    4    HB3  GLU  48           HB3      GLU  48   5.764  -4.425  13.007
    5    HG2  GLU  48           HG2      GLU  48   8.058  -4.612  13.311
    6    HG3  GLU  48           HG3      GLU  48   7.792  -4.606  11.587

  No H/Q in entry =           6
  In of MODEL    9
    1    H    LYS  49           H        LYS  49   7.467  -1.313  10.834
    2    HA   LYS  49           HA       LYS  49   6.455   0.959  12.013
    3    HB2  LYS  49           HB2      LYS  49   8.302   0.926   9.670
    4    HB3  LYS  49           HB3      LYS  49   8.231   2.119  10.977
    5    HG2  LYS  49           HG2      LYS  49   8.731   0.203  12.560
    6    HG3  LYS  49           HG3      LYS  49   9.118  -0.734  11.146
    7    HD2  LYS  49           HD2      LYS  49  10.807   1.154  10.583
    8    HD3  LYS  49           HD3      LYS  49  10.559   1.659  12.254
    9    HE2  LYS  49           HE2      LYS  49  12.523   0.195  11.961
   10    HE3  LYS  49           HE3      LYS  49  11.329  -0.489  13.058
   11    HZ1  LYS  49           HZ1      LYS  49  11.552  -1.199  10.182
   12    HZ2  LYS  49           HZ2      LYS  49  12.252  -2.093  11.439
   13    HZ3  LYS  49           HZ3      LYS  49  10.562  -1.946  11.340

  No H/Q in entry =          13
  In of MODEL    9
    1    H    VAL  50           H        VAL  50   4.864  -0.485   9.708
    2    HA   VAL  50           HA       VAL  50   4.163   1.642   7.947
    3    HB   VAL  50           HB       VAL  50   2.546  -0.796   8.693
    4   HG11  VAL  50          HG11      VAL  50   1.245   1.013   7.631
    5   HG12  VAL  50          HG12      VAL  50   2.372   0.997   6.271
    6   HG13  VAL  50          HG13      VAL  50   1.372  -0.418   6.600
    7   HG21  VAL  50          HG21      VAL  50   4.496  -0.369   6.436
    8   HG22  VAL  50          HG22      VAL  50   4.727  -1.419   7.833
    9   HG23  VAL  50          HG23      VAL  50   3.472  -1.785   6.652

  No H/Q in entry =           9
  In of MODEL    9
    1    H    GLU  51           H        GLU  51   2.737   3.247   8.195
    2    HA   GLU  51           HA       GLU  51   0.821   3.109  10.408
    3    HB2  GLU  51           HB2      GLU  51   2.355   5.602   9.642
    4    HB3  GLU  51           HB3      GLU  51   1.188   5.435  10.951
    5    HG2  GLU  51           HG2      GLU  51   2.650   3.959  12.139
    6    HG3  GLU  51           HG3      GLU  51   3.803   3.962  10.806

  No H/Q in entry =           6
  In of MODEL    9
    1    H    HIS  52           H        HIS  52  -1.137   3.958   9.974
    2    HA   HIS  52           HA       HIS  52  -1.630   4.745   7.184
    3    HB2  HIS  52           HB2      HIS  52  -4.019   4.063   7.674
    4    HB3  HIS  52           HB3      HIS  52  -2.843   2.761   7.658
    5    HD2  HIS  52           HD2      HIS  52  -2.118   1.873  10.364
    6    HE1  HIS  52           HE1      HIS  52  -5.787   3.291  11.920
    7    HE2  HIS  52           HE2      HIS  52  -3.882   1.659  12.253

  No H/Q in entry =           7
  In of MODEL    9
    1    H    SER  53           H        SER  53  -2.667   6.597   6.683
    2    HA   SER  53           HA       SER  53  -3.171   8.609   8.633
    3    HB2  SER  53           HB2      SER  53  -4.208   8.308   5.776
    4    HB3  SER  53           HB3      SER  53  -4.305   9.797   6.718
    5    HG   SER  53           HG       SER  53  -1.974   9.737   6.814

  No H/Q in entry =           5
  In of MODEL    9
    1    H    ASP  54           H        ASP  54  -5.390   9.490   9.095
    2    HA   ASP  54           HA       ASP  54  -7.079   7.321   9.945
    3    HB2  ASP  54           HB2      ASP  54  -6.792   9.218  11.412
    4    HB3  ASP  54           HB3      ASP  54  -7.345  10.326  10.163

  No H/Q in entry =           4
  In of MODEL    9
    1    H    LEU  55           H        LEU  55  -8.208   6.289   8.369
    2    HA   LEU  55           HA       LEU  55  -9.184   5.995   6.307
    3    HB2  LEU  55           HB2      LEU  55 -10.794   6.303   8.396
    4    HB3  LEU  55           HB3      LEU  55 -11.383   7.639   7.442
    5    HG   LEU  55           HG       LEU  55 -12.711   5.534   7.230
    6   HD11  LEU  55          HD11      LEU  55 -12.786   7.244   5.481
    7   HD12  LEU  55          HD12      LEU  55 -11.457   6.436   4.650
    8   HD13  LEU  55          HD13      LEU  55 -13.008   5.613   4.841
    9   HD21  LEU  55          HD21      LEU  55 -10.888   3.928   7.342
   10   HD22  LEU  55          HD22      LEU  55 -11.843   3.708   5.876
   11   HD23  LEU  55          HD23      LEU  55 -10.273   4.505   5.790

  No H/Q in entry =          11
  In of MODEL    9
    1    H    SER  56           H        SER  56 -11.270   8.618   6.404
    2    HA   SER  56           HA       SER  56 -10.098  10.687   5.025
    3    HB2  SER  56           HB2      SER  56 -10.980   8.438   3.212
    4    HB3  SER  56           HB3      SER  56 -11.085  10.112   2.675
    5    HG   SER  56           HG       SER  56  -8.716   8.887   3.649

  No H/Q in entry =           5
  In of MODEL    9
    1    H    PHE  57           H        PHE  57 -11.879  11.868   3.663
    2    HA   PHE  57           HA       PHE  57 -14.461  11.421   4.982
    3    HB2  PHE  57           HB2      PHE  57 -15.023  13.719   4.365
    4    HB3  PHE  57           HB3      PHE  57 -13.502  13.684   5.247
    5    HD1  PHE  57           HD1      PHE  57 -15.164  14.604   2.199
    6    HD2  PHE  57           HD2      PHE  57 -11.355  13.940   3.974
    7    HE1  PHE  57           HE1      PHE  57 -14.101  15.876   0.382
    8    HE2  PHE  57           HE2      PHE  57 -10.284  15.210   2.161
    9    HZ   PHE  57           HZ       PHE  57 -11.656  16.180   0.361

  No H/Q in entry =           9
  In of MODEL    9
    1    H    SER  58           H        SER  58 -16.297  11.093   3.802
    2    HA   SER  58           HA       SER  58 -16.058   9.866   1.268
    3    HB2  SER  58           HB2      SER  58 -18.545  10.931   2.638
    4    HB3  SER  58           HB3      SER  58 -18.497   9.726   1.347
    5    HG   SER  58           HG       SER  58 -18.130   9.408   4.027

  No H/Q in entry =           5
  In of MODEL    9
    1    H    LYS  59           H        LYS  59 -17.196  10.612  -0.757
    2    HA   LYS  59           HA       LYS  59 -17.471  13.460  -1.012
    3    HB2  LYS  59           HB2      LYS  59 -15.050  13.264  -1.221
    4    HB3  LYS  59           HB3      LYS  59 -15.239  12.049  -2.479
    5    HG2  LYS  59           HG2      LYS  59 -16.361  13.712  -3.893
    6    HG3  LYS  59           HG3      LYS  59 -16.110  14.928  -2.642
    7    HD2  LYS  59           HD2      LYS  59 -13.742  14.818  -2.898
    8    HD3  LYS  59           HD3      LYS  59 -13.862  13.401  -3.943
    9    HE2  LYS  59           HE2      LYS  59 -13.410  15.500  -5.179
   10    HE3  LYS  59           HE3      LYS  59 -14.899  14.708  -5.686
   11    HZ1  LYS  59           HZ1      LYS  59 -16.060  16.277  -4.107
   12    HZ2  LYS  59           HZ2      LYS  59 -14.593  17.128  -4.006
   13    HZ3  LYS  59           HZ3      LYS  59 -15.388  16.981  -5.495

  No H/Q in entry =          13
  In of MODEL    9
    1    H    ASP  60           H        ASP  60 -16.573  11.132  -3.614
    2    HA   ASP  60           HA       ASP  60 -19.306  11.332  -4.608
    3    HB2  ASP  60           HB2      ASP  60 -16.805  12.188  -6.050
    4    HB3  ASP  60           HB3      ASP  60 -18.218  11.637  -6.938

  No H/Q in entry =           4
  In of MODEL    9
    1    H    TRP  61           H        TRP  61 -16.123  10.148  -5.635
    2    HA   TRP  61           HA       TRP  61 -17.187   7.905  -6.979
    3    HB2  TRP  61           HB2      TRP  61 -14.337   8.350  -6.075
    4    HB3  TRP  61           HB3      TRP  61 -14.871   7.216  -7.307
    5    HD1  TRP  61           HD1      TRP  61 -15.645   8.273  -9.680
    6    HE1  TRP  61           HE1      TRP  61 -14.986  10.483 -10.829
    7    HE3  TRP  61           HE3      TRP  61 -13.769  10.747  -5.626
    8    HZ2  TRP  61           HZ2      TRP  61 -13.826  12.951 -10.100
    9    HZ3  TRP  61           HZ3      TRP  61 -12.901  13.024  -5.919
   10    HH2  TRP  61           HH2      TRP  61 -12.929  14.117  -8.140

  No H/Q in entry =          10
  In of MODEL    9
    1    H    SER  62           H        SER  62 -15.042   8.017  -4.156
    2    HA   SER  62           HA       SER  62 -16.357   5.856  -2.824
    3    HB2  SER  62           HB2      SER  62 -15.107   4.676  -4.685
    4    HB3  SER  62           HB3      SER  62 -13.606   5.335  -4.023
    5    HG   SER  62           HG       SER  62 -15.329   3.383  -2.931

  No H/Q in entry =           5
  In of MODEL    9
    1    H    PHE  63           H        PHE  63 -14.173   4.981  -1.336
    2    HA   PHE  63           HA       PHE  63 -13.425   7.445   0.106
    3    HB2  PHE  63           HB2      PHE  63 -13.471   4.745   1.415
    4    HB3  PHE  63           HB3      PHE  63 -13.718   6.331   2.135
    5    HD1  PHE  63           HD1      PHE  63 -15.278   3.603   0.249
    6    HD2  PHE  63           HD2      PHE  63 -15.906   7.346   2.189
    7    HE1  PHE  63           HE1      PHE  63 -17.711   3.223   0.185
    8    HE2  PHE  63           HE2      PHE  63 -18.348   6.967   2.125
    9    HZ   PHE  63           HZ       PHE  63 -19.244   4.909   1.120

  No H/Q in entry =           9
  In of MODEL    9
    1    H    TYR  64           H        TYR  64 -11.309   7.513   1.001
    2    HA   TYR  64           HA       TYR  64  -9.457   5.714  -0.409
    3    HB2  TYR  64           HB2      TYR  64  -8.815   8.473   0.644
    4    HB3  TYR  64           HB3      TYR  64  -7.868   7.509  -0.480
    5    HD1  TYR  64           HD1      TYR  64  -9.779  10.317  -0.314
    6    HD2  TYR  64           HD2      TYR  64  -9.489   6.750  -2.619
    7    HE1  TYR  64           HE1      TYR  64 -10.896  11.447  -2.191
    8    HE2  TYR  64           HE2      TYR  64 -10.605   7.871  -4.505
    9    HH   TYR  64           HH       TYR  64 -10.920  11.142  -4.764

  No H/Q in entry =           9
  In of MODEL    9
    1    H    LEU  65           H        LEU  65  -7.800   4.757   0.720
    2    HA   LEU  65           HA       LEU  65  -7.300   5.595   3.462
    3    HB2  LEU  65           HB2      LEU  65  -8.847   3.856   3.849
    4    HB3  LEU  65           HB3      LEU  65  -8.147   2.840   2.604
    5    HG   LEU  65           HG       LEU  65  -6.333   3.430   4.852
    6   HD11  LEU  65          HD11      LEU  65  -8.611   3.281   5.912
    7   HD12  LEU  65          HD12      LEU  65  -8.701   1.631   5.301
    8   HD13  LEU  65          HD13      LEU  65  -7.443   2.081   6.454
    9   HD21  LEU  65          HD21      LEU  65  -5.850   1.841   3.034
   10   HD22  LEU  65          HD22      LEU  65  -5.889   1.054   4.613
   11   HD23  LEU  65          HD23      LEU  65  -7.257   0.891   3.512

  No H/Q in entry =          11
  In of MODEL    9
    1    H    LEU  66           H        LEU  66  -5.211   5.610   3.945
    2    HA   LEU  66           HA       LEU  66  -3.390   4.659   1.841
    3    HB2  LEU  66           HB2      LEU  66  -3.895   7.207   2.367
    4    HB3  LEU  66           HB3      LEU  66  -2.706   6.946   3.607
    5    HG   LEU  66           HG       LEU  66  -2.239   6.536   0.670
    6   HD11  LEU  66          HD11      LEU  66  -1.350   8.749   2.518
    7   HD12  LEU  66          HD12      LEU  66  -0.810   8.539   0.854
    8   HD13  LEU  66          HD13      LEU  66  -2.504   8.893   1.196
    9   HD21  LEU  66          HD21      LEU  66  -0.326   6.427   2.983
   10   HD22  LEU  66          HD22      LEU  66  -0.860   5.063   2.005
   11   HD23  LEU  66          HD23      LEU  66   0.117   6.341   1.282

  No H/Q in entry =          11
  In of MODEL    9
    1    H    TYR  67           H        TYR  67  -1.849   3.294   2.434
    2    HA   TYR  67           HA       TYR  67  -0.993   3.198   5.253
    3    HB2  TYR  67           HB2      TYR  67  -1.655   1.011   3.364
    4    HB3  TYR  67           HB3      TYR  67  -0.262   0.766   4.410
    5    HD1  TYR  67           HD1      TYR  67  -3.908   0.961   4.259
    6    HD2  TYR  67           HD2      TYR  67  -0.541   0.632   6.849
    7    HE1  TYR  67           HE1      TYR  67  -5.365   0.170   6.055
    8    HE2  TYR  67           HE2      TYR  67  -2.009  -0.155   8.663
    9    HH   TYR  67           HH       TYR  67  -4.965  -1.326   8.261

  No H/Q in entry =           9
  In of MODEL    9
    1    H    TYR  68           H        TYR  68   0.969   3.968   5.508
    2    HA   TYR  68           HA       TYR  68   2.938   3.546   3.361
    3    HB2  TYR  68           HB2      TYR  68   3.723   5.877   3.622
    4    HB3  TYR  68           HB3      TYR  68   2.049   5.812   3.069
    5    HD1  TYR  68           HD1      TYR  68   4.278   6.694   5.849
    6    HD2  TYR  68           HD2      TYR  68   0.245   6.590   4.499
    7    HE1  TYR  68           HE1      TYR  68   3.635   8.209   7.674
    8    HE2  TYR  68           HE2      TYR  68  -0.411   8.109   6.324
    9    HH   TYR  68           HH       TYR  68   0.270   8.984   8.320

  No H/Q in entry =           9
  In of MODEL    9
    1    H    THR  69           H        THR  69   5.183   4.030   4.051
    2    HA   THR  69           HA       THR  69   5.712   4.042   6.890
    3    HB   THR  69           HB       THR  69   5.314   1.624   6.413
    4    HG1  THR  69           HG1      THR  69   6.762   2.210   8.070
    5   HG21  THR  69          HG21      THR  69   7.668   1.971   4.553
    6   HG22  THR  69          HG22      THR  69   7.095   0.408   5.136
    7   HG23  THR  69          HG23      THR  69   6.042   1.414   4.138

  No H/Q in entry =           7
  In of MODEL    9
    1    H    GLU  70           H        GLU  70   7.719   4.768   7.362
    2    HA   GLU  70           HA       GLU  70   9.280   5.911   5.216
    3    HB2  GLU  70           HB2      GLU  70   8.866   7.044   7.443
    4    HB3  GLU  70           HB3      GLU  70   9.897   5.828   8.180
    5    HG2  GLU  70           HG2      GLU  70  11.726   6.589   6.637
    6    HG3  GLU  70           HG3      GLU  70  10.681   7.932   6.187

  No H/Q in entry =           6
  In of MODEL    9
    1    H    PHE  71           H        PHE  71  11.156   5.088   4.422
    2    HA   PHE  71           HA       PHE  71  12.346   2.759   5.657
    3    HB2  PHE  71           HB2      PHE  71  12.101   1.303   3.708
    4    HB3  PHE  71           HB3      PHE  71  10.526   1.750   4.344
    5    HD1  PHE  71           HD1      PHE  71  10.612   4.583   3.008
    6    HD2  PHE  71           HD2      PHE  71  11.262   0.630   1.595
    7    HE1  PHE  71           HE1      PHE  71   9.899   5.271   0.769
    8    HE2  PHE  71           HE2      PHE  71  10.534   1.294  -0.650
    9    HZ   PHE  71           HZ       PHE  71   9.868   3.641  -1.090

  No H/Q in entry =           9
  In of MODEL    9
    1    H    THR  72           H        THR  72  14.361   2.143   4.590
    2    HA   THR  72           HA       THR  72  15.460   4.302   2.914
    3    HB   THR  72           HB       THR  72  16.970   2.605   4.917
    4    HG1  THR  72           HG1      THR  72  15.436   4.300   5.716
    5   HG21  THR  72          HG21      THR  72  18.356   3.360   3.029
    6   HG22  THR  72          HG22      THR  72  17.849   5.023   3.323
    7   HG23  THR  72          HG23      THR  72  18.814   4.170   4.527

  No H/Q in entry =           7
  In of MODEL    9
    1    HA   PRO  73           HA       PRO  73  15.114   0.441   0.351
    2    HB2  PRO  73           HB2      PRO  73  15.638   1.992  -1.957
    3    HB3  PRO  73           HB3      PRO  73  14.046   1.481  -1.368
    4    HG2  PRO  73           HG2      PRO  73  15.471   4.068  -1.005
    5    HG3  PRO  73           HG3      PRO  73  13.734   3.768  -1.211
    6    HD2  PRO  73           HD2      PRO  73  14.751   4.384   1.178
    7    HD3  PRO  73           HD3      PRO  73  13.455   3.170   1.027

  No H/Q in entry =           7
  In of MODEL    9
    1    H    THR  74           H        THR  74  16.584  -0.755  -0.710
    2    HA   THR  74           HA       THR  74  19.278   0.301  -1.103
    3    HB   THR  74           HB       THR  74  20.319  -1.627  -0.059
    4    HG1  THR  74           HG1      THR  74  17.628  -2.488   0.327
    5   HG21  THR  74          HG21      THR  74  19.770   0.244   1.455
    6   HG22  THR  74          HG22      THR  74  18.211  -0.508   1.796
    7   HG23  THR  74          HG23      THR  74  19.700  -1.308   2.293

  No H/Q in entry =           7
  In of MODEL    9
    1    H    GLU  75           H        GLU  75  20.585  -1.393  -2.398
    2    HA   GLU  75           HA       GLU  75  19.280  -2.223  -4.716
    3    HB2  GLU  75           HB2      GLU  75  21.819  -2.015  -4.073
    4    HB3  GLU  75           HB3      GLU  75  21.653  -3.715  -3.658
    5    HG2  GLU  75           HG2      GLU  75  21.302  -2.418  -6.340
    6    HG3  GLU  75           HG3      GLU  75  22.529  -3.581  -5.845

  No H/Q in entry =           6
  In of MODEL    9
    1    H    LYS  76           H        LYS  76  19.904  -3.945  -1.707
    2    HA   LYS  76           HA       LYS  76  19.355  -6.489  -2.893
    3    HB2  LYS  76           HB2      LYS  76  20.203  -5.696  -0.117
    4    HB3  LYS  76           HB3      LYS  76  20.065  -7.351  -0.685
    5    HG2  LYS  76           HG2      LYS  76  22.175  -7.252  -1.390
    6    HG3  LYS  76           HG3      LYS  76  21.714  -5.989  -2.531
    7    HD2  LYS  76           HD2      LYS  76  22.119  -4.287  -0.809
    8    HD3  LYS  76           HD3      LYS  76  22.564  -5.554   0.333
    9    HE2  LYS  76           HE2      LYS  76  23.982  -5.009  -2.280
   10    HE3  LYS  76           HE3      LYS  76  24.529  -4.436  -0.699
   11    HZ1  LYS  76           HZ1      LYS  76  24.518  -6.845  -0.016
   12    HZ2  LYS  76           HZ2      LYS  76  24.338  -7.234  -1.655
   13    HZ3  LYS  76           HZ3      LYS  76  25.716  -6.403  -1.131

  No H/Q in entry =          13
  In of MODEL    9
    1    H    ASP  77           H        ASP  77  17.654  -4.225  -0.794
    2    HA   ASP  77           HA       ASP  77  15.919  -6.442  -0.001
    3    HB2  ASP  77           HB2      ASP  77  15.165  -5.176   1.840
    4    HB3  ASP  77           HB3      ASP  77  16.894  -4.908   1.776

  No H/Q in entry =           4
  In of MODEL    9
    1    H    GLU  78           H        GLU  78  13.522  -5.826   0.242
    2    HA   GLU  78           HA       GLU  78  12.592  -4.316  -2.068
    3    HB2  GLU  78           HB2      GLU  78  13.169  -6.362  -3.169
    4    HB3  GLU  78           HB3      GLU  78  12.500  -7.323  -1.869
    5    HG2  GLU  78           HG2      GLU  78  10.383  -7.197  -2.631
    6    HG3  GLU  78           HG3      GLU  78  10.574  -5.604  -3.356

  No H/Q in entry =           6
  In of MODEL    9
    1    H    TYR  79           H        TYR  79  10.376  -3.829  -1.926
    2    HA   TYR  79           HA       TYR  79   9.040  -4.841   0.457
    3    HB2  TYR  79           HB2      TYR  79   8.576  -1.991  -0.383
    4    HB3  TYR  79           HB3      TYR  79   8.368  -2.738   1.203
    5    HD1  TYR  79           HD1      TYR  79   9.810  -2.093   2.846
    6    HD2  TYR  79           HD2      TYR  79  11.187  -2.024  -1.179
    7    HE1  TYR  79           HE1      TYR  79  11.963  -1.162   3.595
    8    HE2  TYR  79           HE2      TYR  79  13.345  -1.118  -0.428
    9    HH   TYR  79           HH       TYR  79  14.602  -1.276   2.217

  No H/Q in entry =           9
  In of MODEL    9
    1    H    ALA  80           H        ALA  80   6.767  -4.841   0.445
    2    HA   ALA  80           HA       ALA  80   5.586  -4.732  -2.254
    3    HB1  ALA  80           HB1      ALA  80   6.363  -7.011  -1.960
    4    HB2  ALA  80           HB2      ALA  80   4.597  -6.958  -1.936
    5    HB3  ALA  80           HB3      ALA  80   5.495  -7.125  -0.423

  No H/Q in entry =           5
  In of MODEL    9
    1    H    CYS  81           H        CYS  81   3.192  -4.902  -2.203
    2    HA   CYS  81           HA       CYS  81   2.089  -3.879   0.336
    3    HB2  CYS  81           HB2      CYS  81   1.654  -3.152  -2.504
    4    HB3  CYS  81           HB3      CYS  81   0.218  -3.184  -1.482

  No H/Q in entry =           4
  In of MODEL    9
    1    H    ARG  82           H        ARG  82   0.512  -5.037   1.291
    2    HA   ARG  82           HA       ARG  82  -0.760  -7.259  -0.210
    3    HB2  ARG  82           HB2      ARG  82   0.835  -7.840   1.709
    4    HB3  ARG  82           HB3      ARG  82  -0.348  -7.091   2.764
    5    HG2  ARG  82           HG2      ARG  82  -2.046  -8.727   1.956
    6    HG3  ARG  82           HG3      ARG  82  -0.753  -9.553   1.084
    7    HD2  ARG  82           HD2      ARG  82   0.062 -10.510   2.961
    8    HD3  ARG  82           HD3      ARG  82  -0.126  -9.029   3.901
    9    HE   ARG  82           HE       ARG  82  -2.430 -10.759   3.334
   10   HH11  ARG  82          HH11      ARG  82  -0.319  -9.057   5.545
   11   HH12  ARG  82          HH12      ARG  82  -1.179  -9.592   6.968
   12   HH21  ARG  82          HH21      ARG  82  -3.580 -11.436   5.207
   13   HH22  ARG  82          HH22      ARG  82  -3.029 -10.930   6.772

  No H/Q in entry =          13
  In of MODEL    9
    1    H    VAL  83           H        VAL  83  -2.990  -7.270  -0.206
    2    HA   VAL  83           HA       VAL  83  -4.325  -5.754   1.936
    3    HB   VAL  83           HB       VAL  83  -5.843  -4.639   0.615
    4   HG11  VAL  83          HG11      VAL  83  -3.341  -4.733  -1.016
    5   HG12  VAL  83          HG12      VAL  83  -4.612  -3.520  -1.158
    6   HG13  VAL  83          HG13      VAL  83  -3.694  -3.666   0.342
    7   HG21  VAL  83          HG21      VAL  83  -5.176  -6.487  -1.668
    8   HG22  VAL  83          HG22      VAL  83  -6.658  -6.483  -0.709
    9   HG23  VAL  83          HG23      VAL  83  -6.280  -5.114  -1.757

  No H/Q in entry =           9
  In of MODEL    9
    1    H    ASN  84           H        ASN  84  -6.139  -6.596   2.712
    2    HA   ASN  84           HA       ASN  84  -6.956  -9.229   1.686
    3    HB2  ASN  84           HB2      ASN  84  -7.259  -8.191   4.522
    4    HB3  ASN  84           HB3      ASN  84  -7.556  -9.830   3.962
    5   HD21  ASN  84          HD21      ASN  84  -5.030  -7.417   4.413
    6   HD22  ASN  84          HD22      ASN  84  -3.739  -8.546   4.639

  No H/Q in entry =           6
  In of MODEL    9
    1    H    HIS  85           H        HIS  85  -8.947  -9.136   0.671
    2    HA   HIS  85           HA       HIS  85 -11.094  -7.893   2.192
    3    HB2  HIS  85           HB2      HIS  85 -10.180  -6.387   0.252
    4    HB3  HIS  85           HB3      HIS  85 -10.992  -7.546  -0.793
    5    HD2  HIS  85           HD2      HIS  85 -11.981  -4.976   2.044
    6    HE1  HIS  85           HE1      HIS  85 -15.302  -5.776  -0.458
    7    HE2  HIS  85           HE2      HIS  85 -14.377  -4.256   1.339

  No H/Q in entry =           7
  In of MODEL    9
    1    H    VAL  86           H        VAL  86 -13.195  -8.749   1.479
    2    HA   VAL  86           HA       VAL  86 -13.090 -11.561   1.236
    3    HB   VAL  86           HB       VAL  86 -15.529 -11.512   1.123
    4   HG11  VAL  86          HG11      VAL  86 -14.381  -9.553   3.103
    5   HG12  VAL  86          HG12      VAL  86 -15.976 -10.297   3.225
    6   HG13  VAL  86          HG13      VAL  86 -14.526 -11.298   3.305
    7   HG21  VAL  86          HG21      VAL  86 -15.777  -9.588  -0.381
    8   HG22  VAL  86          HG22      VAL  86 -16.774  -9.421   1.066
    9   HG23  VAL  86          HG23      VAL  86 -15.271  -8.511   0.921

  No H/Q in entry =           9
  In of MODEL    9
    1    H    THR  87           H        THR  87 -13.222  -9.037  -1.115
    2    HA   THR  87           HA       THR  87 -14.515 -10.454  -3.186
    3    HB   THR  87           HB       THR  87 -13.497  -8.672  -4.635
    4    HG1  THR  87           HG1      THR  87 -12.697  -7.213  -2.427
    5   HG21  THR  87          HG21      THR  87 -14.952  -7.850  -2.132
    6   HG22  THR  87          HG22      THR  87 -14.686  -6.773  -3.502
    7   HG23  THR  87          HG23      THR  87 -15.659  -8.239  -3.700

  No H/Q in entry =           7
  In of MODEL    9
    1    H    LEU  88           H        LEU  88 -11.138  -9.856  -2.417
    2    HA   LEU  88           HA       LEU  88 -10.090 -11.014  -4.778
    3    HB2  LEU  88           HB2      LEU  88  -8.797 -10.490  -2.098
    4    HB3  LEU  88           HB3      LEU  88  -7.918 -11.029  -3.516
    5    HG   LEU  88           HG       LEU  88  -9.377  -8.404  -3.193
    6   HD11  LEU  88          HD11      LEU  88  -6.448  -9.079  -3.471
    7   HD12  LEU  88          HD12      LEU  88  -7.125  -7.445  -3.476
    8   HD13  LEU  88          HD13      LEU  88  -7.253  -8.456  -2.027
    9   HD21  LEU  88          HD21      LEU  88  -7.891  -9.509  -5.572
   10   HD22  LEU  88          HD22      LEU  88  -9.631  -9.240  -5.463
   11   HD23  LEU  88          HD23      LEU  88  -8.523  -7.867  -5.423

  No H/Q in entry =          11
  In of MODEL    9
    1    H    SER  89           H        SER  89 -11.232 -12.298  -1.846
    2    HA   SER  89           HA       SER  89 -11.484 -14.324  -0.944
    3    HB2  SER  89           HB2      SER  89 -11.624 -16.283  -2.300
    4    HB3  SER  89           HB3      SER  89 -12.266 -14.948  -3.247
    5    HG   SER  89           HG       SER  89  -9.929 -14.884  -4.057

  No H/Q in entry =           5
  In of MODEL    9
    1    H    GLN  90           H        GLN  90  -8.488 -13.475  -2.358
    2    HA   GLN  90           HA       GLN  90  -7.037 -14.943  -0.329
    3    HB2  GLN  90           HB2      GLN  90  -5.834 -14.883  -3.069
    4    HB3  GLN  90           HB3      GLN  90  -5.567 -16.035  -1.773
    5    HG2  GLN  90           HG2      GLN  90  -8.063 -15.926  -3.446
    6    HG3  GLN  90           HG3      GLN  90  -6.679 -16.952  -3.807
    7   HE21  GLN  90          HE21      GLN  90  -9.448 -17.645  -3.209
    8   HE22  GLN  90          HE22      GLN  90  -9.399 -18.697  -1.834

  No H/Q in entry =           8
  In of MODEL    9
    1    HA   PRO  91           HA       PRO  91  -5.707 -10.649  -0.055
    2    HB2  PRO  91           HB2      PRO  91  -3.242 -12.036   0.942
    3    HB3  PRO  91           HB3      PRO  91  -4.068 -10.604   1.583
    4    HG2  PRO  91           HG2      PRO  91  -4.436 -12.931   2.764
    5    HG3  PRO  91           HG3      PRO  91  -5.830 -11.859   2.463
    6    HD2  PRO  91           HD2      PRO  91  -4.992 -14.363   1.009
    7    HD3  PRO  91           HD3      PRO  91  -6.641 -13.780   1.396

  No H/Q in entry =           7
  In of MODEL    9
    1    H    LYS  92           H        LYS  92  -4.240  -9.254  -1.066
    2    HA   LYS  92           HA       LYS  92  -3.104 -10.491  -3.478
    3    HB2  LYS  92           HB2      LYS  92  -5.086  -9.027  -3.863
    4    HB3  LYS  92           HB3      LYS  92  -4.178  -7.684  -3.181
    5    HG2  LYS  92           HG2      LYS  92  -4.060  -7.564  -5.569
    6    HG3  LYS  92           HG3      LYS  92  -2.468  -8.010  -4.932
    7    HD2  LYS  92           HD2      LYS  92  -2.838  -9.438  -6.772
    8    HD3  LYS  92           HD3      LYS  92  -3.133 -10.409  -5.326
    9    HE2  LYS  92           HE2      LYS  92  -5.571  -9.930  -5.604
   10    HE3  LYS  92           HE3      LYS  92  -5.192  -9.163  -7.145
   11    HZ1  LYS  92           HZ1      LYS  92  -4.593 -11.990  -6.458
   12    HZ2  LYS  92           HZ2      LYS  92  -5.914 -11.479  -7.386
   13    HZ3  LYS  92           HZ3      LYS  92  -4.334 -11.252  -7.963

  No H/Q in entry =          13
  In of MODEL    9
    1    H    ILE  93           H        ILE  93  -0.985 -10.216  -3.792
    2    HA   ILE  93           HA       ILE  93   0.332  -8.047  -2.299
    3    HB   ILE  93           HB       ILE  93   1.532 -10.641  -3.253
    4   HG12  ILE  93          HG12      ILE  93   2.069 -10.735  -0.697
    5   HG13  ILE  93          HG13      ILE  93   0.754  -9.580  -0.563
    6   HG21  ILE  93          HG21      ILE  93   2.856  -8.316  -1.879
    7   HG22  ILE  93          HG22      ILE  93   3.608  -9.881  -2.191
    8   HG23  ILE  93          HG23      ILE  93   3.127  -8.847  -3.541
    9   HD11  ILE  93          HD11      ILE  93  -0.751 -11.187  -1.610
   10   HD12  ILE  93          HD12      ILE  93   0.575 -12.341  -1.731
   11   HD13  ILE  93          HD13      ILE  93  -0.011 -11.833  -0.147

  No H/Q in entry =          11
  In of MODEL    9
    1    H    VAL  94           H        VAL  94   1.180  -6.494  -3.418
    2    HA   VAL  94           HA       VAL  94   2.110  -7.028  -6.147
    3    HB   VAL  94           HB       VAL  94   0.742  -4.502  -5.188
    4   HG11  VAL  94          HG11      VAL  94   2.033  -5.111  -7.851
    5   HG12  VAL  94          HG12      VAL  94   1.060  -3.684  -7.490
    6   HG13  VAL  94          HG13      VAL  94   2.595  -3.937  -6.661
    7   HG21  VAL  94          HG21      VAL  94  -0.792  -6.325  -5.720
    8   HG22  VAL  94          HG22      VAL  94  -0.912  -5.033  -6.914
    9   HG23  VAL  94          HG23      VAL  94  -0.034  -6.512  -7.300

  No H/Q in entry =           9
  In of MODEL    9
    1    H    LYS  95           H        LYS  95   4.150  -6.523  -6.458
    2    HA   LYS  95           HA       LYS  95   5.656  -5.609  -4.149
    3    HB2  LYS  95           HB2      LYS  95   6.439  -6.837  -6.758
    4    HB3  LYS  95           HB3      LYS  95   7.629  -6.045  -5.735
    5    HG2  LYS  95           HG2      LYS  95   6.901  -7.571  -3.877
    6    HG3  LYS  95           HG3      LYS  95   5.980  -8.469  -5.085
    7    HD2  LYS  95           HD2      LYS  95   7.879  -9.165  -6.217
    8    HD3  LYS  95           HD3      LYS  95   8.870  -7.863  -5.562
    9    HE2  LYS  95           HE2      LYS  95   8.839  -8.945  -3.363
   10    HE3  LYS  95           HE3      LYS  95   7.843 -10.252  -4.015
   11    HZ1  LYS  95           HZ1      LYS  95   9.695 -10.660  -5.620
   12    HZ2  LYS  95           HZ2      LYS  95  10.638  -9.565  -4.733
   13    HZ3  LYS  95           HZ3      LYS  95  10.075 -10.990  -4.001

  No H/Q in entry =          13
  In of MODEL    9
    1    H    TRP  96           H        TRP  96   6.996  -3.838  -4.084
    2    HA   TRP  96           HA       TRP  96   6.116  -1.618  -5.691
    3    HB2  TRP  96           HB2      TRP  96   6.554  -1.298  -3.297
    4    HB3  TRP  96           HB3      TRP  96   8.230  -1.809  -3.503
    5    HD1  TRP  96           HD1      TRP  96   5.903   1.019  -4.799
    6    HE1  TRP  96           HE1      TRP  96   7.334   3.134  -5.089
    7    HE3  TRP  96           HE3      TRP  96  10.464  -0.912  -3.547
    8    HZ2  TRP  96           HZ2      TRP  96  10.031   3.890  -4.819
    9    HZ3  TRP  96           HZ3      TRP  96  12.425   0.568  -3.581
   10    HH2  TRP  96           HH2      TRP  96  12.208   2.938  -4.209

  No H/Q in entry =          10
  In of MODEL    9
    1    H    ASP  97           H        ASP  97   7.047  -0.925  -7.490
    2    HA   ASP  97           HA       ASP  97   9.724  -1.948  -8.151
    3    HB2  ASP  97           HB2      ASP  97   9.077  -1.969 -10.497
    4    HB3  ASP  97           HB3      ASP  97   7.924  -2.924  -9.567

  No H/Q in entry =           4
  In of MODEL    9
    1    H    ARG  98           H        ARG  98  11.244  -0.535  -8.635
    2    HA   ARG  98           HA       ARG  98  10.439   2.251  -9.047
    3    HB2  ARG  98           HB2      ARG  98  12.507   2.925  -8.083
    4    HB3  ARG  98           HB3      ARG  98  11.823   1.715  -7.031
    5    HG2  ARG  98           HG2      ARG  98  13.903   0.911  -7.014
    6    HG3  ARG  98           HG3      ARG  98  13.422   0.171  -8.541
    7    HD2  ARG  98           HD2      ARG  98  15.613   1.325  -8.658
    8    HD3  ARG  98           HD3      ARG  98  14.420   1.967  -9.788
    9    HE   ARG  98           HE       ARG  98  14.587   3.380  -7.271
   10   HH11  ARG  98          HH11      ARG  98  15.756   3.141 -10.567
   11   HH12  ARG  98          HH12      ARG  98  16.282   4.803 -10.622
   12   HH21  ARG  98          HH21      ARG  98  15.310   5.580  -7.365
   13   HH22  ARG  98          HH22      ARG  98  16.044   6.157  -8.829

  No H/Q in entry =          13
  In of MODEL    9
    1    H    ASP  99           H        ASP  99  12.382  -0.396 -10.218
    2    HA   ASP  99           HA       ASP  99  12.340   0.842 -12.879
    3    HB2  ASP  99           HB2      ASP  99  14.724  -0.443 -11.551
    4    HB3  ASP  99           HB3      ASP  99  14.587  -0.330 -13.299

  No H/Q in entry =           4
  In of MODEL    9
    1    H    MET 100           H        MET 100  11.720  -1.742 -10.871
    2    HA   MET 100           HA       MET 100  12.310  -3.997 -12.386
    3    HB2  MET 100           HB2      MET 100   9.897  -3.927 -10.599
    4    HB3  MET 100           HB3      MET 100  11.075  -5.211 -10.822
    5    HG2  MET 100           HG2      MET 100  11.524  -2.619  -9.365
    6    HG3  MET 100           HG3      MET 100  11.276  -4.199  -8.629
    7    HE1  MET 100           HE1      MET 100  13.022  -6.070  -8.490
    8    HE2  MET 100           HE2      MET 100  12.996  -6.206 -10.248
    9    HE3  MET 100           HE3      MET 100  14.536  -6.098  -9.395

  No H/Q in entry =           9
  In of MODEL   10
    1    HA   ILE   2           HA       ILE   2 -23.305  -7.705  -3.358
    2    HB   ILE   2           HB       ILE   2 -22.884  -9.049  -1.292
    3   HG12  ILE   2          HG12      ILE   2 -21.223 -10.781  -3.149
    4   HG13  ILE   2          HG13      ILE   2 -20.615  -9.862  -1.775
    5   HG21  ILE   2          HG21      ILE   2 -24.763  -9.560  -2.736
    6   HG22  ILE   2          HG22      ILE   2 -23.749 -10.620  -3.715
    7   HG23  ILE   2          HG23      ILE   2 -24.104 -11.040  -2.040
    8   HD11  ILE   2          HD11      ILE   2 -22.536 -12.173  -1.630
    9   HD12  ILE   2          HD12      ILE   2 -20.816 -12.221  -1.250
   10   HD13  ILE   2          HD13      ILE   2 -21.911 -11.256  -0.260

  No H/Q in entry =          10
  In of MODEL   10
    1    H    GLN   3           H        GLN   3 -20.358  -7.334  -4.402
    2    HA   GLN   3           HA       GLN   3 -19.606  -5.283  -2.655
    3    HB2  GLN   3           HB2      GLN   3 -19.108  -7.488  -1.304
    4    HB3  GLN   3           HB3      GLN   3 -17.719  -7.614  -2.368
    5    HG2  GLN   3           HG2      GLN   3 -17.086  -6.583  -0.271
    6    HG3  GLN   3           HG3      GLN   3 -16.928  -5.433  -1.601
    7   HE21  GLN   3          HE21      GLN   3 -17.354  -5.121   1.356
    8   HE22  GLN   3          HE22      GLN   3 -18.720  -4.059   1.484

  No H/Q in entry =           8
  In of MODEL   10
    1    H    ARG   4           H        ARG   4 -17.236  -4.593  -3.210
    2    HA   ARG   4           HA       ARG   4 -16.746  -5.242  -6.040
    3    HB2  ARG   4           HB2      ARG   4 -17.708  -3.046  -5.955
    4    HB3  ARG   4           HB3      ARG   4 -16.668  -2.579  -4.620
    5    HG2  ARG   4           HG2      ARG   4 -14.780  -2.330  -5.983
    6    HG3  ARG   4           HG3      ARG   4 -15.487  -3.280  -7.304
    7    HD2  ARG   4           HD2      ARG   4 -15.422  -0.856  -7.787
    8    HD3  ARG   4           HD3      ARG   4 -17.077  -1.479  -7.771
    9    HE   ARG   4           HE       ARG   4 -16.152  -0.397  -5.258
   10   HH11  ARG   4          HH11      ARG   4 -17.680   0.400  -8.311
   11   HH12  ARG   4          HH12      ARG   4 -18.533   1.768  -7.665
   12   HH21  ARG   4          HH21      ARG   4 -17.259   1.399  -4.421
   13   HH22  ARG   4          HH22      ARG   4 -18.300   2.337  -5.452

  No H/Q in entry =          13
  In of MODEL   10
    1    H    THR   5           H        THR   5 -14.630  -5.475  -6.686
    2    HA   THR   5           HA       THR   5 -12.850  -6.357  -4.654
    3    HB   THR   5           HB       THR   5 -11.330  -6.968  -6.435
    4    HG1  THR   5           HG1      THR   5 -12.995  -6.026  -8.472
    5   HG21  THR   5          HG21      THR   5 -14.231  -7.537  -6.964
    6   HG22  THR   5          HG22      THR   5 -12.946  -8.261  -7.931
    7   HG23  THR   5          HG23      THR   5 -13.026  -8.568  -6.198

  No H/Q in entry =           7
  In of MODEL   10
    1    HA   PRO   6           HA       PRO   6 -10.681  -2.420  -4.253
    2    HB2  PRO   6           HB2      PRO   6  -9.016  -3.710  -2.276
    3    HB3  PRO   6           HB3      PRO   6 -10.235  -2.459  -2.034
    4    HG2  PRO   6           HG2      PRO   6 -10.474  -5.065  -1.152
    5    HG3  PRO   6           HG3      PRO   6 -11.846  -3.964  -1.440
    6    HD2  PRO   6           HD2      PRO   6 -10.792  -6.193  -3.147
    7    HD3  PRO   6           HD3      PRO   6 -12.465  -5.621  -2.913

  No H/Q in entry =           7
  In of MODEL   10
    1    H    LYS   7           H        LYS   7  -9.081  -1.878  -5.585
    2    HA   LYS   7           HA       LYS   7  -7.278  -4.001  -6.506
    3    HB2  LYS   7           HB2      LYS   7  -8.612  -2.896  -8.237
    4    HB3  LYS   7           HB3      LYS   7  -8.020  -1.323  -7.731
    5    HG2  LYS   7           HG2      LYS   7  -5.757  -1.966  -8.419
    6    HG3  LYS   7           HG3      LYS   7  -6.379  -3.526  -8.958
    7    HD2  LYS   7           HD2      LYS   7  -6.151  -2.061 -10.860
    8    HD3  LYS   7           HD3      LYS   7  -7.863  -2.337 -10.546
    9    HE2  LYS   7           HE2      LYS   7  -6.496   0.050  -9.374
   10    HE3  LYS   7           HE3      LYS   7  -6.991   0.067 -11.063
   11    HZ1  LYS   7           HZ1      LYS   7  -8.808  -0.451  -8.766
   12    HZ2  LYS   7           HZ2      LYS   7  -8.664   1.027  -9.575
   13    HZ3  LYS   7           HZ3      LYS   7  -9.259  -0.336 -10.396

  No H/Q in entry =          13
  In of MODEL   10
    1    H    ILE   8           H        ILE   8  -5.015  -3.497  -6.847
    2    HA   ILE   8           HA       ILE   8  -4.069  -1.987  -4.517
    3    HB   ILE   8           HB       ILE   8  -2.328  -3.759  -6.194
    4   HG12  ILE   8          HG12      ILE   8  -4.261  -5.139  -5.771
    5   HG13  ILE   8          HG13      ILE   8  -2.958  -5.658  -4.713
    6   HG21  ILE   8          HG21      ILE   8  -1.276  -2.414  -4.469
    7   HG22  ILE   8          HG22      ILE   8  -2.372  -3.078  -3.257
    8   HG23  ILE   8          HG23      ILE   8  -1.195  -4.124  -4.051
    9   HD11  ILE   8          HD11      ILE   8  -3.975  -4.398  -2.878
   10   HD12  ILE   8          HD12      ILE   8  -5.304  -3.951  -3.947
   11   HD13  ILE   8          HD13      ILE   8  -5.043  -5.644  -3.527

  No H/Q in entry =          11
  In of MODEL   10
    1    H    GLN   9           H        GLN   9  -3.119  -0.066  -4.787
    2    HA   GLN   9           HA       GLN   9  -1.363   0.238  -7.116
    3    HB2  GLN   9           HB2      GLN   9  -3.243   2.304  -5.971
    4    HB3  GLN   9           HB3      GLN   9  -1.897   2.713  -7.048
    5    HG2  GLN   9           HG2      GLN   9  -4.190   0.868  -7.726
    6    HG3  GLN   9           HG3      GLN   9  -4.016   2.539  -8.270
    7   HE21  GLN   9          HE21      GLN   9  -4.181   0.020  -9.779
    8   HE22  GLN   9          HE22      GLN   9  -2.761  -0.029 -10.769

  No H/Q in entry =           8
  In of MODEL   10
    1    H    VAL  10           H        VAL  10   0.657   0.446  -6.470
    2    HA   VAL  10           HA       VAL  10   1.238   1.832  -3.954
    3    HB   VAL  10           HB       VAL  10   1.406  -0.362  -3.143
    4   HG11  VAL  10          HG11      VAL  10   1.115  -1.452  -5.351
    5   HG12  VAL  10          HG12      VAL  10   2.842  -1.240  -5.638
    6   HG13  VAL  10          HG13      VAL  10   2.286  -2.252  -4.301
    7   HG21  VAL  10          HG21      VAL  10   4.163   0.346  -4.149
    8   HG22  VAL  10          HG22      VAL  10   3.446   0.818  -2.609
    9   HG23  VAL  10          HG23      VAL  10   3.826  -0.875  -2.925

  No H/Q in entry =           9
  In of MODEL   10
    1    H    TYR  11           H        TYR  11   2.868   3.204  -4.068
    2    HA   TYR  11           HA       TYR  11   5.012   2.931  -5.940
    3    HB2  TYR  11           HB2      TYR  11   4.573   5.057  -7.152
    4    HB3  TYR  11           HB3      TYR  11   3.377   3.819  -7.495
    5    HD1  TYR  11           HD1      TYR  11   1.083   4.200  -7.081
    6    HD2  TYR  11           HD2      TYR  11   3.968   6.960  -5.614
    7    HE1  TYR  11           HE1      TYR  11  -0.713   5.791  -6.558
    8    HE2  TYR  11           HE2      TYR  11   2.177   8.560  -5.085
    9    HH   TYR  11           HH       TYR  11  -1.220   7.689  -5.391

  No H/Q in entry =           9
  In of MODEL   10
    1    H    SER  12           H        SER  12   6.494   4.869  -5.782
    2    HA   SER  12           HA       SER  12   6.905   5.446  -3.000
    3    HB2  SER  12           HB2      SER  12   8.783   6.950  -4.191
    4    HB3  SER  12           HB3      SER  12   8.931   5.188  -4.185
    5    HG   SER  12           HG       SER  12   8.570   6.904  -6.263

  No H/Q in entry =           5
  In of MODEL   10
    1    H    ARG  13           H        ARG  13   6.378   7.249  -1.869
    2    HA   ARG  13           HA       ARG  13   4.376   8.989  -2.854
    3    HB2  ARG  13           HB2      ARG  13   4.991   8.394  -0.414
    4    HB3  ARG  13           HB3      ARG  13   6.261   9.585  -0.564
    5    HG2  ARG  13           HG2      ARG  13   3.332  10.238  -0.859
    6    HG3  ARG  13           HG3      ARG  13   4.242  10.360   0.639
    7    HD2  ARG  13           HD2      ARG  13   4.760  11.885  -1.904
    8    HD3  ARG  13           HD3      ARG  13   4.104  12.521  -0.406
    9    HE   ARG  13           HE       ARG  13   6.872  11.872  -0.963
   10   HH11  ARG  13          HH11      ARG  13   4.494  12.750   1.468
   11   HH12  ARG  13          HH12      ARG  13   5.686  13.397   2.565
   12   HH21  ARG  13          HH21      ARG  13   8.411  12.756   0.456
   13   HH22  ARG  13          HH22      ARG  13   7.910  13.417   1.982

  No H/Q in entry =          13
  In of MODEL   10
    1    H    HIS  14           H        HIS  14   7.825   9.432  -2.404
    2    HA   HIS  14           HA       HIS  14   7.784  11.507  -4.471
    3    HB2  HIS  14           HB2      HIS  14   9.067  11.635  -1.765
    4    HB3  HIS  14           HB3      HIS  14   9.914  12.387  -3.113
    5    HD2  HIS  14           HD2      HIS  14   6.472  13.131  -4.036
    6    HE1  HIS  14           HE1      HIS  14   7.421  16.088  -1.162
    7    HE2  HIS  14           HE2      HIS  14   5.680  15.276  -2.817

  No H/Q in entry =           7
  In of MODEL   10
    1    HA   PRO  15           HA       PRO  15  11.159   9.366  -6.507
    2    HB2  PRO  15           HB2      PRO  15  13.498  10.821  -5.937
    3    HB3  PRO  15           HB3      PRO  15  12.446  11.019  -7.351
    4    HG2  PRO  15           HG2      PRO  15  12.553  12.637  -4.820
    5    HG3  PRO  15           HG3      PRO  15  12.150  13.147  -6.493
    6    HD2  PRO  15           HD2      PRO  15  10.248  12.822  -4.596
    7    HD3  PRO  15           HD3      PRO  15   9.944  12.429  -6.314

  No H/Q in entry =           7
  In of MODEL   10
    1    H    ALA  16           H        ALA  16  12.491   7.682  -6.047
    2    HA   ALA  16           HA       ALA  16  13.065   7.234  -3.211
    3    HB1  ALA  16           HB1      ALA  16  11.497   5.668  -4.278
    4    HB2  ALA  16           HB2      ALA  16  12.733   5.243  -5.460
    5    HB3  ALA  16           HB3      ALA  16  12.969   4.852  -3.757

  No H/Q in entry =           5
  In of MODEL   10
    1    H    GLU  17           H        GLU  17  15.099   6.579  -2.570
    2    HA   GLU  17           HA       GLU  17  17.108   6.102  -4.617
    3    HB2  GLU  17           HB2      GLU  17  17.144   8.533  -4.055
    4    HB3  GLU  17           HB3      GLU  17  17.544   8.098  -2.393
    5    HG2  GLU  17           HG2      GLU  17  19.520   8.731  -3.735
    6    HG3  GLU  17           HG3      GLU  17  19.597   7.084  -3.102

  No H/Q in entry =           6
  In of MODEL   10
    1    H    ASN  18           H        ASN  18  18.656   4.694  -4.052
    2    HA   ASN  18           HA       ASN  18  18.230   3.146  -1.657
    3    HB2  ASN  18           HB2      ASN  18  18.740   1.750  -3.424
    4    HB3  ASN  18           HB3      ASN  18  19.931   2.858  -4.107
    5   HD21  ASN  18          HD21      ASN  18  21.510   1.312  -4.315
    6   HD22  ASN  18          HD22      ASN  18  22.325   0.600  -2.961

  No H/Q in entry =           6
  In of MODEL   10
    1    H    GLY  19           H        GLY  19  19.267   3.265   0.163
    2    HA2  GLY  19           HA2      GLY  19  21.839   4.633   0.401
    3    HA3  GLY  19           HA3      GLY  19  20.947   3.834   1.708

  No H/Q in entry =           3
  In of MODEL   10
    1    H    LYS  20           H        LYS  20  18.537   5.318   0.535
    2    HA   LYS  20           HA       LYS  20  18.954   7.847   1.956
    3    HB2  LYS  20           HB2      LYS  20  19.120   7.931  -0.626
    4    HB3  LYS  20           HB3      LYS  20  17.396   7.611  -0.608
    5    HG2  LYS  20           HG2      LYS  20  17.602   9.925  -0.833
    6    HG3  LYS  20           HG3      LYS  20  17.150   9.656   0.852
    7    HD2  LYS  20           HD2      LYS  20  19.524   9.870   1.495
    8    HD3  LYS  20           HD3      LYS  20  19.932  10.207  -0.189
    9    HE2  LYS  20           HE2      LYS  20  18.184  11.873   1.629
   10    HE3  LYS  20           HE3      LYS  20  19.794  12.288   1.038
   11    HZ1  LYS  20           HZ1      LYS  20  18.842  12.232  -1.249
   12    HZ2  LYS  20           HZ2      LYS  20  17.298  12.051  -0.560
   13    HZ3  LYS  20           HZ3      LYS  20  18.200  13.455  -0.260

  No H/Q in entry =          13
  In of MODEL   10
    1    H    SER  21           H        SER  21  17.148   8.583   3.035
    2    HA   SER  21           HA       SER  21  15.178   6.562   3.613
    3    HB2  SER  21           HB2      SER  21  15.581   9.358   4.653
    4    HB3  SER  21           HB3      SER  21  14.375   8.231   5.272
    5    HG   SER  21           HG       SER  21  16.329   6.780   5.531

  No H/Q in entry =           5
  In of MODEL   10
    1    H    ASN  22           H        ASN  22  13.081   6.567   3.072
    2    HA   ASN  22           HA       ASN  22  12.145   8.638   1.193
    3    HB2  ASN  22           HB2      ASN  22  13.208   6.389   0.171
    4    HB3  ASN  22           HB3      ASN  22  11.633   5.740   0.608
    5   HD21  ASN  22          HD21      ASN  22  12.084   9.071  -0.467
    6   HD22  ASN  22          HD22      ASN  22  11.297   8.856  -1.989

  No H/Q in entry =           6
  In of MODEL   10
    1    H    PHE  23           H        PHE  23   9.728   7.912   0.554
    2    HA   PHE  23           HA       PHE  23   8.387   6.931   2.983
    3    HB2  PHE  23           HB2      PHE  23   7.678   9.318   1.286
    4    HB3  PHE  23           HB3      PHE  23   6.489   8.511   2.295
    5    HD1  PHE  23           HD1      PHE  23   9.838  10.152   2.506
    6    HD2  PHE  23           HD2      PHE  23   6.145   9.247   4.413
    7    HE1  PHE  23           HE1      PHE  23  10.456  11.618   4.383
    8    HE2  PHE  23           HE2      PHE  23   6.752  10.704   6.298
    9    HZ   PHE  23           HZ       PHE  23   8.915  11.876   6.293

  No H/Q in entry =           9
  In of MODEL   10
    1    H    LEU  24           H        LEU  24   7.370   5.094   2.467
    2    HA   LEU  24           HA       LEU  24   6.767   4.400  -0.273
    3    HB2  LEU  24           HB2      LEU  24   7.204   2.996   2.050
    4    HB3  LEU  24           HB3      LEU  24   5.477   2.809   1.827
    5    HG   LEU  24           HG       LEU  24   7.699   1.887  -0.019
    6   HD11  LEU  24          HD11      LEU  24   7.167   0.435   1.888
    7   HD12  LEU  24          HD12      LEU  24   5.477   0.402   1.382
    8   HD13  LEU  24          HD13      LEU  24   6.718  -0.312   0.353
    9   HD21  LEU  24          HD21      LEU  24   4.736   2.001  -0.575
   10   HD22  LEU  24          HD22      LEU  24   6.045   2.721  -1.518
   11   HD23  LEU  24          HD23      LEU  24   5.862   0.970  -1.457

  No H/Q in entry =          11
  In of MODEL   10
    1    H    ASN  25           H        ASN  25   4.606   3.914  -1.004
    2    HA   ASN  25           HA       ASN  25   2.453   5.069   0.587
    3    HB2  ASN  25           HB2      ASN  25   3.092   6.948  -0.756
    4    HB3  ASN  25           HB3      ASN  25   3.215   5.954  -2.204
    5   HD21  ASN  25          HD21      ASN  25   1.364   5.366  -3.291
    6   HD22  ASN  25          HD22      ASN  25  -0.162   6.120  -2.995

  No H/Q in entry =           6
  In of MODEL   10
    1    H    CYS  26           H        CYS  26   0.723   3.778   0.557
    2    HA   CYS  26           HA       CYS  26   0.331   1.967  -1.724
    3    HB2  CYS  26           HB2      CYS  26   1.374   0.943   0.421
    4    HB3  CYS  26           HB3      CYS  26  -0.256   1.094   1.088

  No H/Q in entry =           4
  In of MODEL   10
    1    H    TYR  27           H        TYR  27  -1.615   2.170  -2.583
    2    HA   TYR  27           HA       TYR  27  -3.717   3.529  -1.017
    3    HB2  TYR  27           HB2      TYR  27  -2.667   4.020  -3.744
    4    HB3  TYR  27           HB3      TYR  27  -4.416   4.032  -3.597
    5    HD1  TYR  27           HD1      TYR  27  -1.308   5.726  -2.620
    6    HD2  TYR  27           HD2      TYR  27  -5.550   5.834  -2.456
    7    HE1  TYR  27           HE1      TYR  27  -1.220   8.094  -1.980
    8    HE2  TYR  27           HE2      TYR  27  -5.472   8.202  -1.796
    9    HH   TYR  27           HH       TYR  27  -3.919   9.796  -0.781

  No H/Q in entry =           9
  In of MODEL   10
    1    H    VAL  28           H        VAL  28  -5.200   2.029  -0.538
    2    HA   VAL  28           HA       VAL  28  -6.046   0.263  -2.737
    3    HB   VAL  28           HB       VAL  28  -6.580  -0.390   0.151
    4   HG11  VAL  28          HG11      VAL  28  -6.382  -2.038  -2.362
    5   HG12  VAL  28          HG12      VAL  28  -6.715  -2.677  -0.751
    6   HG13  VAL  28          HG13      VAL  28  -7.865  -1.588  -1.523
    7   HG21  VAL  28          HG21      VAL  28  -4.120  -1.097  -1.441
    8   HG22  VAL  28          HG22      VAL  28  -4.187  -0.193   0.074
    9   HG23  VAL  28          HG23      VAL  28  -4.602  -1.911   0.049

  No H/Q in entry =           9
  In of MODEL   10
    1    H    SER  29           H        SER  29  -7.897   0.933  -3.571
    2    HA   SER  29           HA       SER  29 -10.049   1.834  -1.833
    3    HB2  SER  29           HB2      SER  29  -8.656   3.850  -2.394
    4    HB3  SER  29           HB3      SER  29  -9.055   3.585  -4.089
    5    HG   SER  29           HG       SER  29 -10.769   4.322  -1.956

  No H/Q in entry =           5
  In of MODEL   10
    1    H    GLY  30           H        GLY  30 -11.925   2.635  -3.446
    2    HA2  GLY  30           HA2      GLY  30 -12.116   0.923  -5.788
    3    HA3  GLY  30           HA3      GLY  30 -13.281   2.142  -5.282

  No H/Q in entry =           3
  In of MODEL   10
    1    H    PHE  31           H        PHE  31 -13.186   0.981  -2.495
    2    HA   PHE  31           HA       PHE  31 -14.845  -1.392  -3.025
    3    HB2  PHE  31           HB2      PHE  31 -13.822  -2.482  -1.083
    4    HB3  PHE  31           HB3      PHE  31 -12.576  -2.020  -2.260
    5    HD1  PHE  31           HD1      PHE  31 -11.048  -0.200  -1.810
    6    HD2  PHE  31           HD2      PHE  31 -13.965  -1.353   1.061
    7    HE1  PHE  31           HE1      PHE  31  -9.876   1.110  -0.093
    8    HE2  PHE  31           HE2      PHE  31 -12.791  -0.052   2.782
    9    HZ   PHE  31           HZ       PHE  31 -10.750   1.191   2.203

  No H/Q in entry =           9
  In of MODEL   10
    1    H    HIS  32           H        HIS  32 -15.768  -2.103  -0.736
    2    HA   HIS  32           HA       HIS  32 -16.601   0.187   0.888
    3    HB2  HIS  32           HB2      HIS  32 -18.648  -1.875  -0.078
    4    HB3  HIS  32           HB3      HIS  32 -18.931  -0.586   1.075
    5    HD2  HIS  32           HD2      HIS  32 -18.529   2.069  -0.135
    6    HE1  HIS  32           HE1      HIS  32 -19.913   0.587  -3.845
    7    HE2  HIS  32           HE2      HIS  32 -19.692   2.641  -2.376

  No H/Q in entry =           7
  In of MODEL   10
    1    HA   PRO  33           HA       PRO  33 -18.704  -0.259   2.729
    2    HB2  PRO  33           HB2      PRO  33 -17.593   0.023   5.440
    3    HB3  PRO  33           HB3      PRO  33 -19.244  -0.349   4.933
    4    HG2  PRO  33           HG2      PRO  33 -17.657  -2.200   6.057
    5    HG3  PRO  33           HG3      PRO  33 -18.828  -2.618   4.793
    6    HD2  PRO  33           HD2      PRO  33 -15.867  -2.232   4.588
    7    HD3  PRO  33           HD3      PRO  33 -16.901  -3.459   3.816

  No H/Q in entry =           7
  In of MODEL   10
    1    H    SER  34           H        SER  34 -15.944   0.586   4.897
    2    HA   SER  34           HA       SER  34 -14.956   2.515   2.984
    3    HB2  SER  34           HB2      SER  34 -15.899   3.302   5.761
    4    HB3  SER  34           HB3      SER  34 -15.033   4.349   4.640
    5    HG   SER  34           HG       SER  34 -17.162   3.295   3.405

  No H/Q in entry =           5
  In of MODEL   10
    1    H    ASP  35           H        ASP  35 -14.236  -0.035   4.403
    2    HA   ASP  35           HA       ASP  35 -11.663   0.839   5.459
    3    HB2  ASP  35           HB2      ASP  35 -11.829  -0.257   7.539
    4    HB3  ASP  35           HB3      ASP  35 -13.395   0.535   7.374

  No H/Q in entry =           4
  In of MODEL   10
    1    H    ILE  36           H        ILE  36 -10.048  -0.451   4.863
    2    HA   ILE  36           HA       ILE  36 -10.512  -3.308   4.416
    3    HB   ILE  36           HB       ILE  36 -10.425  -2.086   2.147
    4   HG12  ILE  36          HG12      ILE  36  -8.681  -4.355   3.014
    5   HG13  ILE  36          HG13      ILE  36 -10.079  -4.370   1.946
    6   HG21  ILE  36          HG21      ILE  36  -7.562  -1.747   3.033
    7   HG22  ILE  36          HG22      ILE  36  -8.120  -1.536   1.372
    8   HG23  ILE  36          HG23      ILE  36  -8.702  -0.457   2.637
    9   HD11  ILE  36          HD11      ILE  36  -7.381  -3.248   1.220
   10   HD12  ILE  36          HD12      ILE  36  -7.939  -4.869   0.809
   11   HD13  ILE  36          HD13      ILE  36  -8.765  -3.459   0.143

  No H/Q in entry =          11
  In of MODEL   10
    1    H    GLU  37           H        GLU  37  -8.516  -4.557   4.830
    2    HA   GLU  37           HA       GLU  37  -6.558  -3.004   6.325
    3    HB2  GLU  37           HB2      GLU  37  -7.753  -4.965   7.397
    4    HB3  GLU  37           HB3      GLU  37  -6.985  -5.994   6.204
    5    HG2  GLU  37           HG2      GLU  37  -5.113  -4.343   7.736
    6    HG3  GLU  37           HG3      GLU  37  -6.024  -5.509   8.686

  No H/Q in entry =           6
  In of MODEL   10
    1    H    VAL  38           H        VAL  38  -4.600  -2.766   5.521
    2    HA   VAL  38           HA       VAL  38  -3.610  -4.602   3.515
    3    HB   VAL  38           HB       VAL  38  -3.947  -3.210   1.816
    4   HG11  VAL  38          HG11      VAL  38  -4.487  -1.039   3.815
    5   HG12  VAL  38          HG12      VAL  38  -4.710  -0.883   2.072
    6   HG13  VAL  38          HG13      VAL  38  -5.664  -2.056   2.980
    7   HG21  VAL  38          HG21      VAL  38  -1.935  -1.419   3.182
    8   HG22  VAL  38          HG22      VAL  38  -1.580  -2.726   2.059
    9   HG23  VAL  38          HG23      VAL  38  -2.433  -1.285   1.491

  No H/Q in entry =           9
  In of MODEL   10
    1    H    ASP  39           H        ASP  39  -1.530  -5.018   3.675
    2    HA   ASP  39           HA       ASP  39  -0.025  -3.578   5.745
    3    HB2  ASP  39           HB2      ASP  39   0.087  -5.409   7.033
    4    HB3  ASP  39           HB3      ASP  39  -1.038  -6.195   5.944

  No H/Q in entry =           4
  In of MODEL   10
    1    H    LEU  40           H        LEU  40   2.175  -3.431   5.445
    2    HA   LEU  40           HA       LEU  40   2.949  -3.716   2.644
    3    HB2  LEU  40           HB2      LEU  40   4.403  -2.211   4.805
    4    HB3  LEU  40           HB3      LEU  40   4.655  -2.095   3.076
    5    HG   LEU  40           HG       LEU  40   2.239  -1.131   4.595
    6   HD11  LEU  40          HD11      LEU  40   4.492   0.321   3.224
    7   HD12  LEU  40          HD12      LEU  40   3.031   1.087   3.849
    8   HD13  LEU  40          HD13      LEU  40   4.146   0.280   4.955
    9   HD21  LEU  40          HD21      LEU  40   2.843  -1.105   1.648
   10   HD22  LEU  40          HD22      LEU  40   1.471  -1.861   2.463
   11   HD23  LEU  40          HD23      LEU  40   1.609  -0.099   2.412

  No H/Q in entry =          11
  In of MODEL   10
    1    H    LEU  41           H        LEU  41   4.721  -4.848   2.019
    2    HA   LEU  41           HA       LEU  41   5.808  -6.658   4.052
    3    HB2  LEU  41           HB2      LEU  41   5.745  -7.189   1.119
    4    HB3  LEU  41           HB3      LEU  41   6.013  -8.324   2.410
    5    HG   LEU  41           HG       LEU  41   3.397  -6.948   1.856
    6   HD11  LEU  41          HD11      LEU  41   4.319  -9.759   1.289
    7   HD12  LEU  41          HD12      LEU  41   2.671  -9.164   1.092
    8   HD13  LEU  41          HD13      LEU  41   3.968  -8.508   0.096
    9   HD21  LEU  41          HD21      LEU  41   4.125  -9.153   3.777
   10   HD22  LEU  41          HD22      LEU  41   3.709  -7.493   4.209
   11   HD23  LEU  41          HD23      LEU  41   2.498  -8.544   3.474

  No H/Q in entry =          11
  In of MODEL   10
    1    H    LYS  42           H        LYS  42   7.773  -7.754   3.190
    2    HA   LYS  42           HA       LYS  42   9.698  -6.059   1.867
    3    HB2  LYS  42           HB2      LYS  42  10.199  -7.011   4.689
    4    HB3  LYS  42           HB3      LYS  42  11.371  -6.212   3.648
    5    HG2  LYS  42           HG2      LYS  42   9.686  -4.255   3.513
    6    HG3  LYS  42           HG3      LYS  42   8.849  -5.069   4.800
    7    HD2  LYS  42           HD2      LYS  42  11.782  -4.471   5.185
    8    HD3  LYS  42           HD3      LYS  42  10.572  -3.199   5.407
    9    HE2  LYS  42           HE2      LYS  42   9.411  -4.612   7.043
   10    HE3  LYS  42           HE3      LYS  42  10.649  -5.850   6.837
   11    HZ1  LYS  42           HZ1      LYS  42  11.195  -3.082   7.770
   12    HZ2  LYS  42           HZ2      LYS  42  11.005  -4.415   8.797
   13    HZ3  LYS  42           HZ3      LYS  42  12.298  -4.365   7.700

  No H/Q in entry =          13
  In of MODEL   10
    1    H    ASN  43           H        ASN  43  10.042  -7.446   0.361
    2    HA   ASN  43           HA       ASN  43  10.788  -9.237  -0.806
    3    HB2  ASN  43           HB2      ASN  43  12.174  -9.565   1.760
    4    HB3  ASN  43           HB3      ASN  43  11.966 -11.065   0.862
    5   HD21  ASN  43          HD21      ASN  43  13.532  -7.990   0.992
    6   HD22  ASN  43          HD22      ASN  43  14.594  -8.251  -0.355

  No H/Q in entry =           6
  In of MODEL   10
    1    H    GLY  44           H        GLY  44   8.717  -9.570   1.830
    2    HA2  GLY  44           HA2      GLY  44   7.921 -12.302   1.220
    3    HA3  GLY  44           HA3      GLY  44   6.754 -11.038   0.839

  No H/Q in entry =           3
  In of MODEL   10
    1    H    GLU  45           H        GLU  45   8.402  -9.887   3.368
    2    HA   GLU  45           HA       GLU  45   6.862 -11.332   5.397
    3    HB2  GLU  45           HB2      GLU  45   9.414  -9.793   5.699
    4    HB3  GLU  45           HB3      GLU  45   8.716 -10.929   6.854
    5    HG2  GLU  45           HG2      GLU  45   9.755 -11.590   4.117
    6    HG3  GLU  45           HG3      GLU  45  10.595 -11.866   5.618

  No H/Q in entry =           6
  In of MODEL   10
    1    H    ARG  46           H        ARG  46   5.846 -10.147   7.021
    2    HA   ARG  46           HA       ARG  46   4.709  -7.729   6.148
    3    HB2  ARG  46           HB2      ARG  46   3.492  -9.360   7.472
    4    HB3  ARG  46           HB3      ARG  46   4.600  -9.138   8.810
    5    HG2  ARG  46           HG2      ARG  46   3.686  -7.135   9.395
    6    HG3  ARG  46           HG3      ARG  46   3.025  -6.845   7.767
    7    HD2  ARG  46           HD2      ARG  46   2.042  -8.895   9.768
    8    HD3  ARG  46           HD3      ARG  46   1.156  -7.502   9.164
    9    HE   ARG  46           HE       ARG  46   1.381  -8.643   6.910
   10   HH11  ARG  46          HH11      ARG  46   1.099 -10.340   9.971
   11   HH12  ARG  46          HH12      ARG  46   0.333 -11.735   9.263
   12   HH21  ARG  46          HH21      ARG  46   0.393 -10.470   5.994
   13   HH22  ARG  46          HH22      ARG  46  -0.023 -11.829   6.993

  No H/Q in entry =          13
  In of MODEL   10
    1    H    ILE  47           H        ILE  47   4.978  -5.643   6.724
    2    HA   ILE  47           HA       ILE  47   7.226  -4.911   8.449
    3    HB   ILE  47           HB       ILE  47   5.391  -3.107   6.847
    4   HG12  ILE  47          HG12      ILE  47   8.217  -3.918   6.196
    5   HG13  ILE  47          HG13      ILE  47   6.801  -4.577   5.385
    6   HG21  ILE  47          HG21      ILE  47   6.410  -1.996   8.753
    7   HG22  ILE  47          HG22      ILE  47   8.006  -2.544   8.244
    8   HG23  ILE  47          HG23      ILE  47   7.108  -1.396   7.248
    9   HD11  ILE  47          HD11      ILE  47   6.415  -1.880   5.140
   10   HD12  ILE  47          HD12      ILE  47   8.165  -2.025   5.017
   11   HD13  ILE  47          HD13      ILE  47   7.125  -2.921   3.906

  No H/Q in entry =          11
  In of MODEL   10
    1    H    GLU  48           H        GLU  48   6.912  -3.893  10.399
    2    HA   GLU  48           HA       GLU  48   4.131  -3.825  11.314
    3    HB2  GLU  48           HB2      GLU  48   5.483  -3.603  13.610
    4    HB3  GLU  48           HB3      GLU  48   5.065  -5.135  12.893
    5    HG2  GLU  48           HG2      GLU  48   7.228  -5.453  13.397
    6    HG3  GLU  48           HG3      GLU  48   7.374  -4.837  11.768

  No H/Q in entry =           6
  In of MODEL   10
    1    H    LYS  49           H        LYS  49   7.041  -1.806  11.220
    2    HA   LYS  49           HA       LYS  49   5.984   0.427  12.475
    3    HB2  LYS  49           HB2      LYS  49   8.088   0.339  10.314
    4    HB3  LYS  49           HB3      LYS  49   7.877   1.601  11.528
    5    HG2  LYS  49           HG2      LYS  49   8.138  -1.099  12.606
    6    HG3  LYS  49           HG3      LYS  49   9.562  -0.511  11.763
    7    HD2  LYS  49           HD2      LYS  49   9.827   1.275  13.247
    8    HD3  LYS  49           HD3      LYS  49   8.159   1.162  13.815
    9    HE2  LYS  49           HE2      LYS  49   9.866   0.323  15.435
   10    HE3  LYS  49           HE3      LYS  49   8.620  -0.847  15.006
   11    HZ1  LYS  49           HZ1      LYS  49  11.339  -0.745  13.815
   12    HZ2  LYS  49           HZ2      LYS  49  10.854  -1.808  15.046
   13    HZ3  LYS  49           HZ3      LYS  49  10.147  -1.915  13.505

  No H/Q in entry =          13
  In of MODEL   10
    1    H    VAL  50           H        VAL  50   4.659  -0.824   9.801
    2    HA   VAL  50           HA       VAL  50   4.160   1.430   8.182
    3    HB   VAL  50           HB       VAL  50   2.424  -0.997   8.663
    4   HG11  VAL  50          HG11      VAL  50   1.181   0.891   7.674
    5   HG12  VAL  50          HG12      VAL  50   2.379   0.975   6.376
    6   HG13  VAL  50          HG13      VAL  50   1.363  -0.456   6.541
    7   HG21  VAL  50          HG21      VAL  50   4.507  -0.425   6.568
    8   HG22  VAL  50          HG22      VAL  50   4.615  -1.611   7.868
    9   HG23  VAL  50          HG23      VAL  50   3.435  -1.819   6.581

  No H/Q in entry =           9
  In of MODEL   10
    1    H    GLU  51           H        GLU  51   2.591   2.981   8.253
    2    HA   GLU  51           HA       GLU  51   0.628   2.838  10.430
    3    HB2  GLU  51           HB2      GLU  51   2.094   5.355   9.629
    4    HB3  GLU  51           HB3      GLU  51   0.878   5.203  10.891
    5    HG2  GLU  51           HG2      GLU  51   2.381   3.723  12.136
    6    HG3  GLU  51           HG3      GLU  51   3.608   3.947  10.889

  No H/Q in entry =           6
  In of MODEL   10
    1    H    HIS  52           H        HIS  52  -1.316   3.802  10.006
    2    HA   HIS  52           HA       HIS  52  -1.724   4.774   7.259
    3    HB2  HIS  52           HB2      HIS  52  -4.117   4.171   7.502
    4    HB3  HIS  52           HB3      HIS  52  -3.041   2.786   7.575
    5    HD2  HIS  52           HD2      HIS  52  -2.655   1.845  10.357
    6    HE1  HIS  52           HE1      HIS  52  -6.449   3.358  11.455
    7    HE2  HIS  52           HE2      HIS  52  -4.491   1.934  12.189

  No H/Q in entry =           7
  In of MODEL   10
    1    H    SER  53           H        SER  53  -2.219   6.817   7.017
    2    HA   SER  53           HA       SER  53  -2.587   8.433   9.419
    3    HB2  SER  53           HB2      SER  53  -0.776   8.918   7.719
    4    HB3  SER  53           HB3      SER  53  -2.053   9.382   6.597
    5    HG   SER  53           HG       SER  53  -1.877  10.543   9.167

  No H/Q in entry =           5
  In of MODEL   10
    1    H    ASP  54           H        ASP  54  -3.763  10.684   8.178
    2    HA   ASP  54           HA       ASP  54  -6.415  10.423   8.672
    3    HB2  ASP  54           HB2      ASP  54  -5.465  12.594   8.306
    4    HB3  ASP  54           HB3      ASP  54  -5.068  12.201   6.637

  No H/Q in entry =           4
  In of MODEL   10
    1    H    LEU  55           H        LEU  55  -7.881   9.133   7.955
    2    HA   LEU  55           HA       LEU  55  -7.756   7.288   5.989
    3    HB2  LEU  55           HB2      LEU  55  -9.529   7.658   7.801
    4    HB3  LEU  55           HB3      LEU  55 -10.341   8.690   6.645
    5    HG   LEU  55           HG       LEU  55 -11.178   6.290   6.906
    6   HD11  LEU  55          HD11      LEU  55 -11.889   7.725   5.083
    7   HD12  LEU  55          HD12      LEU  55 -10.459   7.274   4.152
    8   HD13  LEU  55          HD13      LEU  55 -11.683   6.063   4.533
    9   HD21  LEU  55          HD21      LEU  55  -9.021   5.180   6.905
   10   HD22  LEU  55          HD22      LEU  55 -10.022   4.602   5.571
   11   HD23  LEU  55          HD23      LEU  55  -8.712   5.744   5.262

  No H/Q in entry =          11
  In of MODEL   10
    1    H    SER  56           H        SER  56 -10.032   9.911   5.443
    2    HA   SER  56           HA       SER  56  -8.843  11.279   3.394
    3    HB2  SER  56           HB2      SER  56 -10.172  10.360   1.380
    4    HB3  SER  56           HB3      SER  56  -8.839   9.344   1.941
    5    HG   SER  56           HG       SER  56 -10.219   7.893   2.672

  No H/Q in entry =           5
  In of MODEL   10
    1    H    PHE  57           H        PHE  57 -10.499  12.604   2.150
    2    HA   PHE  57           HA       PHE  57 -13.042  12.698   3.627
    3    HB2  PHE  57           HB2      PHE  57 -13.319  14.968   3.002
    4    HB3  PHE  57           HB3      PHE  57 -11.645  14.824   3.509
    5    HD1  PHE  57           HD1      PHE  57 -13.914  15.546   0.793
    6    HD2  PHE  57           HD2      PHE  57  -9.838  14.896   1.821
    7    HE1  PHE  57           HE1      PHE  57 -13.228  16.557  -1.338
    8    HE2  PHE  57           HE2      PHE  57  -9.137  15.905  -0.311
    9    HZ   PHE  57           HZ       PHE  57 -10.832  16.739  -1.892

  No H/Q in entry =           9
  In of MODEL   10
    1    H    SER  58           H        SER  58 -14.878  12.189   2.631
    2    HA   SER  58           HA       SER  58 -14.727  10.972   0.038
    3    HB2  SER  58           HB2      SER  58 -16.146  10.057   1.849
    4    HB3  SER  58           HB3      SER  58 -17.132  11.517   1.802
    5    HG   SER  58           HG       SER  58 -18.230  10.248   0.481

  No H/Q in entry =           5
  In of MODEL   10
    1    H    LYS  59           H        LYS  59 -16.572  11.545  -1.581
    2    HA   LYS  59           HA       LYS  59 -17.231  14.313  -1.737
    3    HB2  LYS  59           HB2      LYS  59 -14.827  14.326  -2.449
    4    HB3  LYS  59           HB3      LYS  59 -15.267  13.270  -3.786
    5    HG2  LYS  59           HG2      LYS  59 -15.112  15.577  -4.522
    6    HG3  LYS  59           HG3      LYS  59 -16.772  14.987  -4.651
    7    HD2  LYS  59           HD2      LYS  59 -17.283  16.074  -2.485
    8    HD3  LYS  59           HD3      LYS  59 -15.645  16.726  -2.452
    9    HE2  LYS  59           HE2      LYS  59 -17.793  17.330  -4.489
   10    HE3  LYS  59           HE3      LYS  59 -17.199  18.409  -3.233
   11    HZ1  LYS  59           HZ1      LYS  59 -14.989  18.292  -4.313
   12    HZ2  LYS  59           HZ2      LYS  59 -15.688  17.414  -5.585
   13    HZ3  LYS  59           HZ3      LYS  59 -16.185  19.005  -5.278

  No H/Q in entry =          13
  In of MODEL   10
    1    H    ASP  60           H        ASP  60 -16.511  11.872  -4.257
    2    HA   ASP  60           HA       ASP  60 -19.405  11.625  -4.726
    3    HB2  ASP  60           HB2      ASP  60 -18.362  13.266  -6.330
    4    HB3  ASP  60           HB3      ASP  60 -17.375  11.946  -6.946

  No H/Q in entry =           4
  In of MODEL   10
    1    H    TRP  61           H        TRP  61 -16.193  10.360  -5.628
    2    HA   TRP  61           HA       TRP  61 -17.393   8.013  -6.756
    3    HB2  TRP  61           HB2      TRP  61 -14.471   8.692  -6.396
    4    HB3  TRP  61           HB3      TRP  61 -15.113   7.387  -7.391
    5    HD1  TRP  61           HD1      TRP  61 -14.212  10.994  -7.527
    6    HE1  TRP  61           HE1      TRP  61 -14.904  12.005  -9.788
    7    HE3  TRP  61           HE3      TRP  61 -17.133   7.173  -9.256
    8    HZ2  TRP  61           HZ2      TRP  61 -16.475  11.278 -12.008
    9    HZ3  TRP  61           HZ3      TRP  61 -18.202   7.396 -11.452
   10    HH2  TRP  61           HH2      TRP  61 -17.875   9.436 -12.819

  No H/Q in entry =          10
  In of MODEL   10
    1    H    SER  62           H        SER  62 -14.604   8.065  -4.537
    2    HA   SER  62           HA       SER  62 -15.849   5.962  -2.951
    3    HB2  SER  62           HB2      SER  62 -13.358   5.576  -4.634
    4    HB3  SER  62           HB3      SER  62 -13.804   4.485  -3.314
    5    HG   SER  62           HG       SER  62 -15.888   4.955  -5.010

  No H/Q in entry =           5
  In of MODEL   10
    1    H    PHE  63           H        PHE  63 -14.570   5.361  -1.074
    2    HA   PHE  63           HA       PHE  63 -13.144   7.638   0.040
    3    HB2  PHE  63           HB2      PHE  63 -13.659   4.995   1.417
    4    HB3  PHE  63           HB3      PHE  63 -13.372   6.560   2.158
    5    HD1  PHE  63           HD1      PHE  63 -15.178   8.075   2.581
    6    HD2  PHE  63           HD2      PHE  63 -15.838   4.496   0.364
    7    HE1  PHE  63           HE1      PHE  63 -17.620   8.369   2.833
    8    HE2  PHE  63           HE2      PHE  63 -18.271   4.792   0.600
    9    HZ   PHE  63           HZ       PHE  63 -19.158   6.726   1.834

  No H/Q in entry =           9
  In of MODEL   10
    1    H    TYR  64           H        TYR  64 -10.995   7.651   0.541
    2    HA   TYR  64           HA       TYR  64  -9.428   5.468  -0.648
    3    HB2  TYR  64           HB2      TYR  64  -8.612   8.311   0.042
    4    HB3  TYR  64           HB3      TYR  64  -7.595   7.133  -0.779
    5    HD1  TYR  64           HD1      TYR  64  -7.797   6.758  -3.128
    6    HD2  TYR  64           HD2      TYR  64 -10.607   9.249  -1.123
    7    HE1  TYR  64           HE1      TYR  64  -8.646   7.549  -5.302
    8    HE2  TYR  64           HE2      TYR  64 -11.461  10.036  -3.289
    9    HH   TYR  64           HH       TYR  64 -10.525  10.245  -5.666

  No H/Q in entry =           9
  In of MODEL   10
    1    H    LEU  65           H        LEU  65  -7.752   4.480   0.526
    2    HA   LEU  65           HA       LEU  65  -7.260   5.471   3.230
    3    HB2  LEU  65           HB2      LEU  65  -8.792   3.749   3.670
    4    HB3  LEU  65           HB3      LEU  65  -8.111   2.702   2.439
    5    HG   LEU  65           HG       LEU  65  -6.328   3.328   4.721
    6   HD11  LEU  65          HD11      LEU  65  -8.663   3.060   5.675
    7   HD12  LEU  65          HD12      LEU  65  -8.608   1.405   5.069
    8   HD13  LEU  65          HD13      LEU  65  -7.438   1.944   6.272
    9   HD21  LEU  65          HD21      LEU  65  -5.716   1.793   2.901
   10   HD22  LEU  65          HD22      LEU  65  -5.806   0.965   4.456
   11   HD23  LEU  65          HD23      LEU  65  -7.117   0.793   3.290

  No H/Q in entry =          11
  In of MODEL   10
    1    H    LEU  66           H        LEU  66  -5.184   5.491   3.788
    2    HA   LEU  66           HA       LEU  66  -3.289   4.568   1.739
    3    HB2  LEU  66           HB2      LEU  66  -3.819   7.106   2.227
    4    HB3  LEU  66           HB3      LEU  66  -2.732   6.857   3.563
    5    HG   LEU  66           HG       LEU  66  -2.046   6.501   0.665
    6   HD11  LEU  66          HD11      LEU  66  -1.290   8.644   2.642
    7   HD12  LEU  66          HD12      LEU  66  -0.622   8.485   1.020
    8   HD13  LEU  66          HD13      LEU  66  -2.338   8.834   1.236
    9   HD21  LEU  66          HD21      LEU  66  -0.271   6.311   3.081
   10   HD22  LEU  66          HD22      LEU  66  -0.753   4.974   2.041
   11   HD23  LEU  66          HD23      LEU  66   0.266   6.267   1.402

  No H/Q in entry =          11
  In of MODEL   10
    1    H    TYR  67           H        TYR  67  -1.751   3.226   2.390
    2    HA   TYR  67           HA       TYR  67  -1.003   3.117   5.238
    3    HB2  TYR  67           HB2      TYR  67  -1.618   0.940   3.325
    4    HB3  TYR  67           HB3      TYR  67  -0.261   0.684   4.413
    5    HD1  TYR  67           HD1      TYR  67  -3.881   0.850   4.127
    6    HD2  TYR  67           HD2      TYR  67  -0.624   0.591   6.857
    7    HE1  TYR  67           HE1      TYR  67  -5.396   0.030   5.861
    8    HE2  TYR  67           HE2      TYR  67  -2.155  -0.214   8.609
    9    HH   TYR  67           HH       TYR  67  -4.580  -0.094   9.124

  No H/Q in entry =           9
  In of MODEL   10
    1    H    TYR  68           H        TYR  68   1.010   3.741   5.597
    2    HA   TYR  68           HA       TYR  68   3.005   3.316   3.476
    3    HB2  TYR  68           HB2      TYR  68   3.825   5.624   3.670
    4    HB3  TYR  68           HB3      TYR  68   2.135   5.596   3.157
    5    HD1  TYR  68           HD1      TYR  68   0.394   6.453   4.580
    6    HD2  TYR  68           HD2      TYR  68   4.438   6.427   5.892
    7    HE1  TYR  68           HE1      TYR  68  -0.196   8.000   6.392
    8    HE2  TYR  68           HE2      TYR  68   3.862   7.966   7.721
    9    HH   TYR  68           HH       TYR  68   2.098   9.668   8.209

  No H/Q in entry =           9
  In of MODEL   10
    1    H    THR  69           H        THR  69   5.227   3.747   4.180
    2    HA   THR  69           HA       THR  69   5.696   3.771   7.052
    3    HB   THR  69           HB       THR  69   5.502   1.357   6.559
    4    HG1  THR  69           HG1      THR  69   8.174   2.208   7.091
    5   HG21  THR  69          HG21      THR  69   7.715   1.908   4.584
    6   HG22  THR  69          HG22      THR  69   7.335   0.296   5.188
    7   HG23  THR  69          HG23      THR  69   6.129   1.197   4.264

  No H/Q in entry =           7
  In of MODEL   10
    1    H    GLU  70           H        GLU  70   7.683   4.602   7.598
    2    HA   GLU  70           HA       GLU  70   9.152   5.913   5.450
    3    HB2  GLU  70           HB2      GLU  70   8.505   7.078   7.606
    4    HB3  GLU  70           HB3      GLU  70   9.614   6.011   8.454
    5    HG2  GLU  70           HG2      GLU  70  10.519   7.812   6.237
    6    HG3  GLU  70           HG3      GLU  70  10.404   8.357   7.906

  No H/Q in entry =           6
  In of MODEL   10
    1    H    PHE  71           H        PHE  71  11.127   5.204   4.720
    2    HA   PHE  71           HA       PHE  71  12.412   2.982   6.032
    3    HB2  PHE  71           HB2      PHE  71  12.169   1.412   4.176
    4    HB3  PHE  71           HB3      PHE  71  10.591   1.860   4.808
    5    HD1  PHE  71           HD1      PHE  71  11.420   0.650   2.084
    6    HD2  PHE  71           HD2      PHE  71  10.495   4.595   3.353
    7    HE1  PHE  71           HE1      PHE  71  10.684   1.196  -0.198
    8    HE2  PHE  71           HE2      PHE  71   9.767   5.157   1.074
    9    HZ   PHE  71           HZ       PHE  71   9.868   3.469  -0.719

  No H/Q in entry =           9
  In of MODEL   10
    1    H    THR  72           H        THR  72  14.414   2.327   4.912
    2    HA   THR  72           HA       THR  72  15.410   4.378   3.051
    3    HB   THR  72           HB       THR  72  17.017   2.869   5.128
    4    HG1  THR  72           HG1      THR  72  15.656   4.616   5.930
    5   HG21  THR  72          HG21      THR  72  18.300   3.356   3.074
    6   HG22  THR  72          HG22      THR  72  17.872   5.062   3.224
    7   HG23  THR  72          HG23      THR  72  18.878   4.292   4.454

  No H/Q in entry =           7
  In of MODEL   10
    1    HA   PRO  73           HA       PRO  73  15.209   0.467   0.569
    2    HB2  PRO  73           HB2      PRO  73  15.865   2.002  -1.716
    3    HB3  PRO  73           HB3      PRO  73  14.248   1.483  -1.222
    4    HG2  PRO  73           HG2      PRO  73  15.632   4.086  -0.776
    5    HG3  PRO  73           HG3      PRO  73  13.916   3.774  -1.105
    6    HD2  PRO  73           HD2      PRO  73  14.733   4.395   1.351
    7    HD3  PRO  73           HD3      PRO  73  13.487   3.144   1.105

  No H/Q in entry =           7
  In of MODEL   10
    1    H    THR  74           H        THR  74  16.739  -0.794  -0.227
    2    HA   THR  74           HA       THR  74  19.492   0.218  -0.397
    3    HB   THR  74           HB       THR  74  20.360  -1.769   0.643
    4    HG1  THR  74           HG1      THR  74  17.685  -2.672   0.444
    5   HG21  THR  74          HG21      THR  74  19.557  -0.023   2.190
    6   HG22  THR  74          HG22      THR  74  17.999  -0.846   2.271
    7   HG23  THR  74          HG23      THR  74  19.444  -1.641   2.891

  No H/Q in entry =           7
  In of MODEL   10
    1    H    GLU  75           H        GLU  75  20.747  -2.024  -1.397
    2    HA   GLU  75           HA       GLU  75  19.633  -2.050  -4.082
    3    HB2  GLU  75           HB2      GLU  75  22.172  -1.945  -3.228
    4    HB3  GLU  75           HB3      GLU  75  22.013  -3.679  -3.367
    5    HG2  GLU  75           HG2      GLU  75  22.818  -3.141  -5.406
    6    HG3  GLU  75           HG3      GLU  75  21.095  -3.077  -5.710

  No H/Q in entry =           6
  In of MODEL   10
    1    H    LYS  76           H        LYS  76  20.046  -4.120  -1.309
    2    HA   LYS  76           HA       LYS  76  19.452  -6.546  -2.697
    3    HB2  LYS  76           HB2      LYS  76  20.300  -5.959   0.132
    4    HB3  LYS  76           HB3      LYS  76  19.948  -7.575  -0.462
    5    HG2  LYS  76           HG2      LYS  76  22.146  -5.743  -1.399
    6    HG3  LYS  76           HG3      LYS  76  22.304  -7.319  -0.598
    7    HD2  LYS  76           HD2      LYS  76  21.452  -8.464  -2.458
    8    HD3  LYS  76           HD3      LYS  76  20.832  -6.974  -3.170
    9    HE2  LYS  76           HE2      LYS  76  23.179  -6.219  -3.498
   10    HE3  LYS  76           HE3      LYS  76  23.731  -7.783  -2.894
   11    HZ1  LYS  76           HZ1      LYS  76  21.959  -7.439  -5.252
   12    HZ2  LYS  76           HZ2      LYS  76  23.640  -7.635  -5.351
   13    HZ3  LYS  76           HZ3      LYS  76  22.670  -8.881  -4.723

  No H/Q in entry =          13
  In of MODEL   10
    1    H    ASP  77           H        ASP  77  17.716  -4.258  -0.703
    2    HA   ASP  77           HA       ASP  77  15.961  -6.434   0.180
    3    HB2  ASP  77           HB2      ASP  77  15.090  -4.994   1.886
    4    HB3  ASP  77           HB3      ASP  77  16.837  -4.811   1.900

  No H/Q in entry =           4
  In of MODEL   10
    1    H    GLU  78           H        GLU  78  13.568  -5.733   0.342
    2    HA   GLU  78           HA       GLU  78  12.632  -4.386  -2.054
    3    HB2  GLU  78           HB2      GLU  78  13.285  -6.572  -2.917
    4    HB3  GLU  78           HB3      GLU  78  12.341  -7.384  -1.677
    5    HG2  GLU  78           HG2      GLU  78  11.131  -7.469  -3.738
    6    HG3  GLU  78           HG3      GLU  78  10.287  -6.322  -2.689

  No H/Q in entry =           6
  In of MODEL   10
    1    H    TYR  79           H        TYR  79  10.382  -3.935  -1.949
    2    HA   TYR  79           HA       TYR  79   9.062  -4.930   0.467
    3    HB2  TYR  79           HB2      TYR  79   8.491  -2.124  -0.401
    4    HB3  TYR  79           HB3      TYR  79   8.349  -2.859   1.197
    5    HD1  TYR  79           HD1      TYR  79   9.995  -2.526   2.800
    6    HD2  TYR  79           HD2      TYR  79  10.881  -1.685  -1.276
    7    HE1  TYR  79           HE1      TYR  79  12.127  -1.489   3.473
    8    HE2  TYR  79           HE2      TYR  79  13.013  -0.676  -0.608
    9    HH   TYR  79           HH       TYR  79  14.509  -1.135   2.079

  No H/Q in entry =           9
  In of MODEL   10
    1    H    ALA  80           H        ALA  80   6.745  -4.802   0.454
    2    HA   ALA  80           HA       ALA  80   5.543  -4.715  -2.224
    3    HB1  ALA  80           HB1      ALA  80   6.339  -7.010  -1.997
    4    HB2  ALA  80           HB2      ALA  80   4.575  -6.939  -2.033
    5    HB3  ALA  80           HB3      ALA  80   5.415  -7.184  -0.502

  No H/Q in entry =           5
  In of MODEL   10
    1    H    CYS  81           H        CYS  81   3.159  -4.922  -2.162
    2    HA   CYS  81           HA       CYS  81   2.062  -3.932   0.392
    3    HB2  CYS  81           HB2      CYS  81   1.512  -3.280  -2.463
    4    HB3  CYS  81           HB3      CYS  81   0.144  -3.270  -1.356

  No H/Q in entry =           4
  In of MODEL   10
    1    H    ARG  82           H        ARG  82   0.497  -5.107   1.360
    2    HA   ARG  82           HA       ARG  82  -0.743  -7.343  -0.132
    3    HB2  ARG  82           HB2      ARG  82   0.861  -7.856   1.853
    4    HB3  ARG  82           HB3      ARG  82  -0.431  -7.210   2.854
    5    HG2  ARG  82           HG2      ARG  82  -1.959  -8.920   2.003
    6    HG3  ARG  82           HG3      ARG  82  -0.650  -9.586   1.023
    7    HD2  ARG  82           HD2      ARG  82  -0.574  -9.323   4.025
    8    HD3  ARG  82           HD3      ARG  82  -0.999 -10.800   3.174
    9    HE   ARG  82           HE       ARG  82   1.584  -9.607   2.571
   10   HH11  ARG  82          HH11      ARG  82  -0.253 -12.088   4.219
   11   HH12  ARG  82          HH12      ARG  82   1.137 -13.081   4.537
   12   HH21  ARG  82          HH21      ARG  82   3.420 -10.924   2.988
   13   HH22  ARG  82          HH22      ARG  82   3.225 -12.422   3.844

  No H/Q in entry =          13
  In of MODEL   10
    1    H    VAL  83           H        VAL  83  -3.001  -7.411  -0.071
    2    HA   VAL  83           HA       VAL  83  -4.302  -5.773   1.998
    3    HB   VAL  83           HB       VAL  83  -5.834  -4.728   0.634
    4   HG11  VAL  83          HG11      VAL  83  -3.321  -4.870  -0.980
    5   HG12  VAL  83          HG12      VAL  83  -4.591  -3.663  -1.171
    6   HG13  VAL  83          HG13      VAL  83  -3.680  -3.758   0.337
    7   HG21  VAL  83          HG21      VAL  83  -5.139  -6.631  -1.588
    8   HG22  VAL  83          HG22      VAL  83  -6.617  -6.635  -0.625
    9   HG23  VAL  83          HG23      VAL  83  -6.272  -5.286  -1.709

  No H/Q in entry =           9
  In of MODEL   10
    1    H    ASN  84           H        ASN  84  -6.134  -6.521   2.828
    2    HA   ASN  84           HA       ASN  84  -6.985  -9.219   1.988
    3    HB2  ASN  84           HB2      ASN  84  -7.165  -7.969   4.751
    4    HB3  ASN  84           HB3      ASN  84  -7.640  -9.598   4.341
    5   HD21  ASN  84          HD21      ASN  84  -4.924  -7.437   4.755
    6   HD22  ASN  84          HD22      ASN  84  -3.723  -8.674   4.936

  No H/Q in entry =           6
  In of MODEL   10
    1    H    HIS  85           H        HIS  85  -8.982  -9.174   0.972
    2    HA   HIS  85           HA       HIS  85 -11.129  -7.901   2.466
    3    HB2  HIS  85           HB2      HIS  85 -10.244  -6.492   0.417
    4    HB3  HIS  85           HB3      HIS  85 -11.117  -7.692  -0.527
    5    HD2  HIS  85           HD2      HIS  85 -11.962  -5.082   2.318
    6    HE1  HIS  85           HE1      HIS  85 -15.341  -5.738  -0.153
    7    HE2  HIS  85           HE2      HIS  85 -14.417  -4.400   1.791

  No H/Q in entry =           7
  In of MODEL   10
    1    H    VAL  86           H        VAL  86 -13.251  -8.842   1.762
    2    HA   VAL  86           HA       VAL  86 -13.002 -11.665   1.641
    3    HB   VAL  86           HB       VAL  86 -14.870 -10.497   2.783
    4   HG11  VAL  86          HG11      VAL  86 -15.822  -9.930  -0.021
    5   HG12  VAL  86          HG12      VAL  86 -16.795  -9.730   1.436
    6   HG13  VAL  86          HG13      VAL  86 -15.352  -8.745   1.198
    7   HG21  VAL  86          HG21      VAL  86 -15.049 -12.860   2.227
    8   HG22  VAL  86          HG22      VAL  86 -16.620 -12.065   2.120
    9   HG23  VAL  86          HG23      VAL  86 -15.723 -12.447   0.650

  No H/Q in entry =           9
  In of MODEL   10
    1    H    THR  87           H        THR  87 -13.290  -9.223  -0.772
    2    HA   THR  87           HA       THR  87 -14.587 -10.688  -2.797
    3    HB   THR  87           HB       THR  87 -13.629  -8.894  -4.276
    4    HG1  THR  87           HG1      THR  87 -12.809  -7.381  -2.133
    5   HG21  THR  87          HG21      THR  87 -15.057  -8.096  -1.749
    6   HG22  THR  87          HG22      THR  87 -14.808  -6.998  -3.106
    7   HG23  THR  87          HG23      THR  87 -15.772  -8.466  -3.318

  No H/Q in entry =           7
  In of MODEL   10
    1    H    LEU  88           H        LEU  88 -11.217 -10.011  -2.113
    2    HA   LEU  88           HA       LEU  88 -10.185 -11.095  -4.498
    3    HB2  LEU  88           HB2      LEU  88  -8.866 -10.592  -1.833
    4    HB3  LEU  88           HB3      LEU  88  -7.988 -11.122  -3.256
    5    HG   LEU  88           HG       LEU  88  -9.458  -8.509  -2.897
    6   HD11  LEU  88          HD11      LEU  88  -6.543  -9.178  -3.311
    7   HD12  LEU  88          HD12      LEU  88  -7.225  -7.545  -3.276
    8   HD13  LEU  88          HD13      LEU  88  -7.287  -8.563  -1.828
    9   HD21  LEU  88          HD21      LEU  88  -8.096  -9.623  -5.346
   10   HD22  LEU  88          HD22      LEU  88  -9.821  -9.310  -5.157
   11   HD23  LEU  88          HD23      LEU  88  -8.677  -7.967  -5.164

  No H/Q in entry =          11
  In of MODEL   10
    1    H    SER  89           H        SER  89 -11.332 -12.601  -1.679
    2    HA   SER  89           HA       SER  89 -11.495 -14.703  -0.908
    3    HB2  SER  89           HB2      SER  89 -11.474 -16.572  -2.410
    4    HB3  SER  89           HB3      SER  89 -12.192 -15.209  -3.258
    5    HG   SER  89           HG       SER  89  -9.828 -14.941  -3.998

  No H/Q in entry =           5
  In of MODEL   10
    1    H    GLN  90           H        GLN  90  -8.621 -13.473  -1.998
    2    HA   GLN  90           HA       GLN  90  -7.072 -14.805  -0.002
    3    HB2  GLN  90           HB2      GLN  90  -5.342 -15.605  -1.707
    4    HB3  GLN  90           HB3      GLN  90  -6.838 -16.541  -1.775
    5    HG2  GLN  90           HG2      GLN  90  -7.569 -15.150  -3.683
    6    HG3  GLN  90           HG3      GLN  90  -6.003 -14.339  -3.661
    7   HE21  GLN  90          HE21      GLN  90  -7.312 -16.007  -5.693
    8   HE22  GLN  90          HE22      GLN  90  -6.184 -17.278  -6.046

  No H/Q in entry =           8
  In of MODEL   10
    1    HA   PRO  91           HA       PRO  91  -5.743 -10.563   0.041
    2    HB2  PRO  91           HB2      PRO  91  -3.242 -11.906   0.992
    3    HB3  PRO  91           HB3      PRO  91  -4.054 -10.461   1.623
    4    HG2  PRO  91           HG2      PRO  91  -4.363 -12.750   2.880
    5    HG3  PRO  91           HG3      PRO  91  -5.777 -11.704   2.594
    6    HD2  PRO  91           HD2      PRO  91  -4.954 -14.234   1.198
    7    HD3  PRO  91           HD3      PRO  91  -6.599 -13.655   1.612

  No H/Q in entry =           7
  In of MODEL   10
    1    H    LYS  92           H        LYS  92  -4.259  -9.172  -0.963
    2    HA   LYS  92           HA       LYS  92  -3.133 -10.407  -3.383
    3    HB2  LYS  92           HB2      LYS  92  -5.113  -8.949  -3.762
    4    HB3  LYS  92           HB3      LYS  92  -4.208  -7.605  -3.078
    5    HG2  LYS  92           HG2      LYS  92  -4.068  -7.467  -5.454
    6    HG3  LYS  92           HG3      LYS  92  -2.485  -7.955  -4.823
    7    HD2  LYS  92           HD2      LYS  92  -2.936  -9.332  -6.707
    8    HD3  LYS  92           HD3      LYS  92  -3.144 -10.318  -5.254
    9    HE2  LYS  92           HE2      LYS  92  -4.926 -10.735  -6.892
   10    HE3  LYS  92           HE3      LYS  92  -5.560 -10.051  -5.399
   11    HZ1  LYS  92           HZ1      LYS  92  -5.009  -8.494  -7.870
   12    HZ2  LYS  92           HZ2      LYS  92  -6.538  -9.047  -7.400
   13    HZ3  LYS  92           HZ3      LYS  92  -5.725  -7.902  -6.451

  No H/Q in entry =          13
  In of MODEL   10
    1    H    ILE  93           H        ILE  93  -1.001 -10.189  -3.648
    2    HA   ILE  93           HA       ILE  93   0.339  -8.009  -2.199
    3    HB   ILE  93           HB       ILE  93   1.470 -10.647  -3.113
    4   HG12  ILE  93          HG12      ILE  93   2.056 -10.745  -0.592
    5   HG13  ILE  93          HG13      ILE  93   0.858  -9.476  -0.409
    6   HG21  ILE  93          HG21      ILE  93   3.108  -8.899  -3.493
    7   HG22  ILE  93          HG22      ILE  93   2.904  -8.329  -1.835
    8   HG23  ILE  93          HG23      ILE  93   3.598  -9.921  -2.139
    9   HD11  ILE  93          HD11      ILE  93   0.353 -12.214  -1.545
   10   HD12  ILE  93          HD12      ILE  93  -0.045 -11.677   0.086
   11   HD13  ILE  93          HD13      ILE  93  -0.850 -10.949  -1.302

  No H/Q in entry =          11
  In of MODEL   10
    1    H    VAL  94           H        VAL  94   1.217  -6.474  -3.320
    2    HA   VAL  94           HA       VAL  94   2.164  -7.010  -6.046
    3    HB   VAL  94           HB       VAL  94   0.803  -4.468  -5.106
    4   HG11  VAL  94          HG11      VAL  94   2.008  -5.161  -7.785
    5   HG12  VAL  94          HG12      VAL  94   1.058  -3.717  -7.436
    6   HG13  VAL  94          HG13      VAL  94   2.612  -3.962  -6.641
    7   HG21  VAL  94          HG21      VAL  94  -0.069  -6.543  -7.118
    8   HG22  VAL  94          HG22      VAL  94  -0.794  -6.249  -5.537
    9   HG23  VAL  94          HG23      VAL  94  -0.894  -5.018  -6.796

  No H/Q in entry =           9
  In of MODEL   10
    1    H    LYS  95           H        LYS  95   4.203  -6.471  -6.337
    2    HA   LYS  95           HA       LYS  95   5.734  -5.609  -4.046
    3    HB2  LYS  95           HB2      LYS  95   6.509  -6.337  -6.848
    4    HB3  LYS  95           HB3      LYS  95   7.667  -5.721  -5.682
    5    HG2  LYS  95           HG2      LYS  95   7.059  -7.623  -4.183
    6    HG3  LYS  95           HG3      LYS  95   6.115  -8.283  -5.524
    7    HD2  LYS  95           HD2      LYS  95   8.049  -8.455  -6.901
    8    HD3  LYS  95           HD3      LYS  95   9.030  -7.572  -5.736
    9    HE2  LYS  95           HE2      LYS  95   9.547  -9.916  -5.577
   10    HE3  LYS  95           HE3      LYS  95   8.687  -9.420  -4.118
   11    HZ1  LYS  95           HZ1      LYS  95   6.645 -10.338  -5.083
   12    HZ2  LYS  95           HZ2      LYS  95   7.517 -10.854  -6.445
   13    HZ3  LYS  95           HZ3      LYS  95   7.852 -11.520  -4.920

  No H/Q in entry =          13
  In of MODEL   10
    1    H    TRP  96           H        TRP  96   7.070  -3.766  -3.924
    2    HA   TRP  96           HA       TRP  96   5.962  -1.447  -5.253
    3    HB2  TRP  96           HB2      TRP  96   6.542  -1.252  -2.887
    4    HB3  TRP  96           HB3      TRP  96   8.211  -1.726  -3.215
    5    HD1  TRP  96           HD1      TRP  96   5.802   1.115  -4.346
    6    HE1  TRP  96           HE1      TRP  96   7.167   3.268  -4.549
    7    HE3  TRP  96           HE3      TRP  96  10.404  -0.753  -3.148
    8    HZ2  TRP  96           HZ2      TRP  96   9.859   4.092  -4.208
    9    HZ3  TRP  96           HZ3      TRP  96  12.329   0.774  -3.113
   10    HH2  TRP  96           HH2      TRP  96  12.058   3.164  -3.636

  No H/Q in entry =          10
  In of MODEL   10
    1    H    ASP  97           H        ASP  97   6.694  -0.703  -7.116
    2    HA   ASP  97           HA       ASP  97   9.420  -1.460  -7.915
    3    HB2  ASP  97           HB2      ASP  97   8.732  -1.437 -10.220
    4    HB3  ASP  97           HB3      ASP  97   7.602  -2.451  -9.330

  No H/Q in entry =           4
  In of MODEL   10
    1    H    ARG  98           H        ARG  98  10.810   0.066  -8.187
    2    HA   ARG  98           HA       ARG  98   9.892   2.834  -8.316
    3    HB2  ARG  98           HB2      ARG  98  12.182   3.455  -7.857
    4    HB3  ARG  98           HB3      ARG  98  11.679   2.237  -6.710
    5    HG2  ARG  98           HG2      ARG  98  13.617   1.263  -7.164
    6    HG3  ARG  98           HG3      ARG  98  12.852   0.733  -8.662
    7    HD2  ARG  98           HD2      ARG  98  15.074   1.800  -8.989
    8    HD3  ARG  98           HD3      ARG  98  13.766   2.599  -9.858
    9    HE   ARG  98           HE       ARG  98  13.790   4.167  -7.817
   10   HH11  ARG  98          HH11      ARG  98  16.624   2.631  -9.204
   11   HH12  ARG  98          HH12      ARG  98  17.697   3.915  -8.722
   12   HH21  ARG  98          HH21      ARG  98  15.224   5.872  -7.220
   13   HH22  ARG  98          HH22      ARG  98  16.907   5.739  -7.629

  No H/Q in entry =          13
  In of MODEL   10
    1    H    ASP  99           H        ASP  99  11.586   0.390 -10.089
    2    HA   ASP  99           HA       ASP  99  10.808   1.601 -12.600
    3    HB2  ASP  99           HB2      ASP  99  13.706   1.108 -11.898
    4    HB3  ASP  99           HB3      ASP  99  13.139   1.237 -13.559

  No H/Q in entry =           4
  In of MODEL   10
    1    H    MET 100           H        MET 100  11.332  -0.963 -10.600
    2    HA   MET 100           HA       MET 100  12.348  -2.973 -12.267
    3    HB2  MET 100           HB2      MET 100  10.573  -3.319  -9.844
    4    HB3  MET 100           HB3      MET 100  11.642  -4.528 -10.541
    5    HG2  MET 100           HG2      MET 100  12.488  -1.948  -9.243
    6    HG3  MET 100           HG3      MET 100  12.600  -3.559  -8.537
    7    HE1  MET 100           HE1      MET 100  14.283  -5.400  -9.282
    8    HE2  MET 100           HE2      MET 100  13.591  -5.372 -10.903
    9    HE3  MET 100           HE3      MET 100  15.338  -5.270 -10.689

  No H/Q in entry =           9
  In of MODEL   11
    1    HA   ILE   2           HA       ILE   2 -21.734  -9.021  -3.905
    2    HB   ILE   2           HB       ILE   2 -20.531  -9.422  -6.141
    3   HG12  ILE   2          HG12      ILE   2 -22.012  -8.550  -8.083
    4   HG13  ILE   2          HG13      ILE   2 -22.531  -7.315  -6.943
    5   HG21  ILE   2          HG21      ILE   2 -23.522  -9.681  -5.931
    6   HG22  ILE   2          HG22      ILE   2 -22.495 -10.577  -7.050
    7   HG23  ILE   2          HG23      ILE   2 -22.321 -10.814  -5.311
    8   HD11  ILE   2          HD11      ILE   2 -20.211  -6.590  -6.690
    9   HD12  ILE   2          HD12      ILE   2 -19.708  -7.813  -7.857
   10   HD13  ILE   2          HD13      ILE   2 -20.760  -6.491  -8.364

  No H/Q in entry =          10
  In of MODEL   11
    1    H    GLN   3           H        GLN   3 -21.150  -5.910  -3.821
    2    HA   GLN   3           HA       GLN   3 -19.444  -4.736  -2.900
    3    HB2  GLN   3           HB2      GLN   3 -19.024  -7.161  -1.883
    4    HB3  GLN   3           HB3      GLN   3 -17.612  -7.105  -2.921
    5    HG2  GLN   3           HG2      GLN   3 -16.811  -6.371  -0.875
    6    HG3  GLN   3           HG3      GLN   3 -17.096  -4.874  -1.759
    7   HE21  GLN   3          HE21      GLN   3 -19.984  -4.948  -1.424
    8   HE22  GLN   3          HE22      GLN   3 -20.286  -4.558   0.233

  No H/Q in entry =           8
  In of MODEL   11
    1    H    ARG   4           H        ARG   4 -17.006  -4.219  -3.361
    2    HA   ARG   4           HA       ARG   4 -16.413  -4.677  -6.211
    3    HB2  ARG   4           HB2      ARG   4 -17.102  -2.466  -6.294
    4    HB3  ARG   4           HB3      ARG   4 -16.472  -2.098  -4.698
    5    HG2  ARG   4           HG2      ARG   4 -14.318  -1.745  -5.459
    6    HG3  ARG   4           HG3      ARG   4 -14.549  -2.764  -6.889
    7    HD2  ARG   4           HD2      ARG   4 -14.395  -0.303  -7.357
    8    HD3  ARG   4           HD3      ARG   4 -15.847  -1.089  -7.977
    9    HE   ARG   4           HE       ARG   4 -17.003  -0.137  -5.985
   10   HH11  ARG   4          HH11      ARG   4 -14.087   1.335  -7.232
   11   HH12  ARG   4          HH12      ARG   4 -14.446   2.907  -6.594
   12   HH21  ARG   4          HH21      ARG   4 -17.524   1.947  -5.186
   13   HH22  ARG   4          HH22      ARG   4 -16.400   3.254  -5.423

  No H/Q in entry =          13
  In of MODEL   11
    1    H    THR   5           H        THR   5 -14.317  -5.087  -6.766
    2    HA   THR   5           HA       THR   5 -12.673  -6.099  -4.659
    3    HB   THR   5           HB       THR   5 -11.177  -6.893  -6.365
    4    HG1  THR   5           HG1      THR   5 -11.844  -4.690  -7.633
    5   HG21  THR   5          HG21      THR   5 -14.086  -7.115  -7.036
    6   HG22  THR   5          HG22      THR   5 -12.869  -7.846  -8.088
    7   HG23  THR   5          HG23      THR   5 -12.978  -8.332  -6.403

  No H/Q in entry =           7
  In of MODEL   11
    1    HA   PRO   6           HA       PRO   6 -10.441  -2.215  -4.255
    2    HB2  PRO   6           HB2      PRO   6  -8.771  -3.529  -2.281
    3    HB3  PRO   6           HB3      PRO   6  -9.948  -2.230  -2.056
    4    HG2  PRO   6           HG2      PRO   6 -10.285  -4.799  -1.132
    5    HG3  PRO   6           HG3      PRO   6 -11.613  -3.662  -1.458
    6    HD2  PRO   6           HD2      PRO   6 -10.630  -5.974  -3.096
    7    HD3  PRO   6           HD3      PRO   6 -12.281  -5.324  -2.904

  No H/Q in entry =           7
  In of MODEL   11
    1    H    LYS   7           H        LYS   7  -8.745  -1.567  -5.398
    2    HA   LYS   7           HA       LYS   7  -7.049  -3.648  -6.569
    3    HB2  LYS   7           HB2      LYS   7  -8.362  -2.256  -8.134
    4    HB3  LYS   7           HB3      LYS   7  -7.610  -0.808  -7.480
    5    HG2  LYS   7           HG2      LYS   7  -5.416  -1.653  -8.263
    6    HG3  LYS   7           HG3      LYS   7  -6.252  -3.015  -9.012
    7    HD2  LYS   7           HD2      LYS   7  -7.531  -1.469 -10.408
    8    HD3  LYS   7           HD3      LYS   7  -6.723  -0.100  -9.643
    9    HE2  LYS   7           HE2      LYS   7  -5.681  -0.549 -11.767
   10    HE3  LYS   7           HE3      LYS   7  -4.560  -0.965 -10.471
   11    HZ1  LYS   7           HZ1      LYS   7  -5.364  -3.314 -10.741
   12    HZ2  LYS   7           HZ2      LYS   7  -6.157  -2.812 -12.152
   13    HZ3  LYS   7           HZ3      LYS   7  -4.468  -2.700 -12.046

  No H/Q in entry =          13
  In of MODEL   11
    1    H    ILE   8           H        ILE   8  -4.787  -3.306  -6.737
    2    HA   ILE   8           HA       ILE   8  -3.787  -1.977  -4.353
    3    HB   ILE   8           HB       ILE   8  -2.131  -3.617  -6.252
    4   HG12  ILE   8          HG12      ILE   8  -4.053  -4.993  -5.745
    5   HG13  ILE   8          HG13      ILE   8  -2.681  -5.580  -4.817
    6   HG21  ILE   8          HG21      ILE   8  -0.945  -2.359  -4.534
    7   HG22  ILE   8          HG22      ILE   8  -1.953  -3.091  -3.284
    8   HG23  ILE   8          HG23      ILE   8  -0.842  -4.092  -4.220
    9   HD11  ILE   8          HD11      ILE   8  -4.839  -3.784  -3.751
   10   HD12  ILE   8          HD12      ILE   8  -4.768  -5.535  -3.539
   11   HD13  ILE   8          HD13      ILE   8  -3.516  -4.511  -2.835

  No H/Q in entry =          11
  In of MODEL   11
    1    H    GLN   9           H        GLN   9  -2.773  -0.123  -4.383
    2    HA   GLN   9           HA       GLN   9  -1.183   0.578  -6.744
    3    HB2  GLN   9           HB2      GLN   9  -3.014   2.357  -5.151
    4    HB3  GLN   9           HB3      GLN   9  -1.745   2.991  -6.207
    5    HG2  GLN   9           HG2      GLN   9  -2.819   2.021  -8.128
    6    HG3  GLN   9           HG3      GLN   9  -4.004   1.208  -7.105
    7   HE21  GLN   9          HE21      GLN   9  -4.280   3.488  -5.318
    8   HE22  GLN   9          HE22      GLN   9  -5.212   4.675  -6.181

  No H/Q in entry =           8
  In of MODEL   11
    1    H    VAL  10           H        VAL  10   0.875   0.652  -6.121
    2    HA   VAL  10           HA       VAL  10   1.489   1.891  -3.549
    3    HB   VAL  10           HB       VAL  10   1.774  -0.361  -2.937
    4   HG11  VAL  10          HG11      VAL  10   1.548  -1.286  -5.219
    5   HG12  VAL  10          HG12      VAL  10   3.254  -0.935  -5.490
    6   HG13  VAL  10          HG13      VAL  10   2.776  -2.086  -4.238
    7   HG21  VAL  10          HG21      VAL  10   4.442   0.697  -3.840
    8   HG22  VAL  10          HG22      VAL  10   3.690   0.863  -2.250
    9   HG23  VAL  10          HG23      VAL  10   4.244  -0.720  -2.805

  No H/Q in entry =           9
  In of MODEL   11
    1    H    TYR  11           H        TYR  11   2.875   3.450  -3.720
    2    HA   TYR  11           HA       TYR  11   4.785   3.515  -5.946
    3    HB2  TYR  11           HB2      TYR  11   3.209   6.017  -5.271
    4    HB3  TYR  11           HB3      TYR  11   4.224   5.715  -6.667
    5    HD1  TYR  11           HD1      TYR  11   0.920   5.953  -5.520
    6    HD2  TYR  11           HD2      TYR  11   3.338   3.804  -8.289
    7    HE1  TYR  11           HE1      TYR  11  -1.068   5.478  -6.866
    8    HE2  TYR  11           HE2      TYR  11   1.342   3.300  -9.638
    9    HH   TYR  11           HH       TYR  11  -1.672   4.862  -9.098

  No H/Q in entry =           9
  In of MODEL   11
    1    H    SER  12           H        SER  12   6.492   5.186  -5.514
    2    HA   SER  12           HA       SER  12   6.843   5.636  -2.670
    3    HB2  SER  12           HB2      SER  12   8.776   4.894  -4.017
    4    HB3  SER  12           HB3      SER  12   8.621   6.327  -5.026
    5    HG   SER  12           HG       SER  12   9.761   7.350  -3.618

  No H/Q in entry =           5
  In of MODEL   11
    1    H    ARG  13           H        ARG  13   6.713   7.628  -1.694
    2    HA   ARG  13           HA       ARG  13   4.939   9.534  -2.691
    3    HB2  ARG  13           HB2      ARG  13   5.797   9.265  -0.292
    4    HB3  ARG  13           HB3      ARG  13   7.240  10.122  -0.794
    5    HG2  ARG  13           HG2      ARG  13   4.486  11.352  -0.927
    6    HG3  ARG  13           HG3      ARG  13   5.548  11.469   0.471
    7    HD2  ARG  13           HD2      ARG  13   6.145  12.458  -2.310
    8    HD3  ARG  13           HD3      ARG  13   5.751  13.444  -0.912
    9    HE   ARG  13           HE       ARG  13   8.262  12.059  -1.419
   10   HH11  ARG  13          HH11      ARG  13   6.344  14.049   0.736
   11   HH12  ARG  13          HH12      ARG  13   7.728  14.630   1.618
   12   HH21  ARG  13          HH21      ARG  13  10.068  12.822  -0.261
   13   HH22  ARG  13          HH22      ARG  13   9.849  13.911   1.072

  No H/Q in entry =          13
  In of MODEL   11
    1    H    HIS  14           H        HIS  14   8.426   9.455  -2.946
    2    HA   HIS  14           HA       HIS  14   8.331  11.322  -5.176
    3    HB2  HIS  14           HB2      HIS  14   9.755  11.798  -2.599
    4    HB3  HIS  14           HB3      HIS  14  10.638  12.210  -4.065
    5    HD2  HIS  14           HD2      HIS  14   7.228  13.070  -5.055
    6    HE1  HIS  14           HE1      HIS  14   8.572  16.445  -2.891
    7    HE2  HIS  14           HE2      HIS  14   6.942  15.612  -4.643

  No H/Q in entry =           7
  In of MODEL   11
    1    HA   PRO  15           HA       PRO  15  11.453   8.862  -7.258
    2    HB2  PRO  15           HB2      PRO  15  13.926  10.160  -6.703
    3    HB3  PRO  15           HB3      PRO  15  12.947  10.286  -8.176
    4    HG2  PRO  15           HG2      PRO  15  13.107  12.155  -5.840
    5    HG3  PRO  15           HG3      PRO  15  12.699  12.490  -7.555
    6    HD2  PRO  15           HD2      PRO  15  10.816  12.474  -5.611
    7    HD3  PRO  15           HD3      PRO  15  10.466  11.906  -7.270

  No H/Q in entry =           7
  In of MODEL   11
    1    H    ALA  16           H        ALA  16  12.775   7.135  -6.836
    2    HA   ALA  16           HA       ALA  16  13.113   6.518  -4.013
    3    HB1  ALA  16           HB1      ALA  16  11.947   4.906  -5.454
    4    HB2  ALA  16           HB2      ALA  16  13.401   4.745  -6.443
    5    HB3  ALA  16           HB3      ALA  16  13.416   4.218  -4.759

  No H/Q in entry =           5
  In of MODEL   11
    1    H    GLU  17           H        GLU  17  15.055   6.648  -3.057
    2    HA   GLU  17           HA       GLU  17  17.434   6.551  -4.760
    3    HB2  GLU  17           HB2      GLU  17  16.709   8.710  -3.430
    4    HB3  GLU  17           HB3      GLU  17  17.446   7.861  -2.071
    5    HG2  GLU  17           HG2      GLU  17  19.062   9.321  -3.098
    6    HG3  GLU  17           HG3      GLU  17  19.514   7.638  -3.374

  No H/Q in entry =           6
  In of MODEL   11
    1    H    ASN  18           H        ASN  18  18.580   4.778  -4.461
    2    HA   ASN  18           HA       ASN  18  17.981   3.042  -2.237
    3    HB2  ASN  18           HB2      ASN  18  19.965   2.599  -4.494
    4    HB3  ASN  18           HB3      ASN  18  19.560   1.429  -3.253
    5   HD21  ASN  18          HD21      ASN  18  19.397   0.801  -5.911
    6   HD22  ASN  18          HD22      ASN  18  17.739   0.524  -6.375

  No H/Q in entry =           6
  In of MODEL   11
    1    H    GLY  19           H        GLY  19  19.040   2.884  -0.416
    2    HA2  GLY  19           HA2      GLY  19  21.803   3.766  -0.158
    3    HA3  GLY  19           HA3      GLY  19  20.797   3.038   1.109

  No H/Q in entry =           3
  In of MODEL   11
    1    H    LYS  20           H        LYS  20  18.572   4.819   0.526
    2    HA   LYS  20           HA       LYS  20  19.437   7.169   1.995
    3    HB2  LYS  20           HB2      LYS  20  19.825   7.583  -0.454
    4    HB3  LYS  20           HB3      LYS  20  18.098   7.392  -0.697
    5    HG2  LYS  20           HG2      LYS  20  18.752   9.716  -0.571
    6    HG3  LYS  20           HG3      LYS  20  17.643   9.291   0.715
    7    HD2  LYS  20           HD2      LYS  20  19.537   9.083   2.205
    8    HD3  LYS  20           HD3      LYS  20  20.630   9.573   0.938
    9    HE2  LYS  20           HE2      LYS  20  18.466  11.206   2.258
   10    HE3  LYS  20           HE3      LYS  20  20.205  11.495   2.293
   11    HZ1  LYS  20           HZ1      LYS  20  19.997  11.759  -0.212
   12    HZ2  LYS  20           HZ2      LYS  20  18.322  11.873   0.044
   13    HZ3  LYS  20           HZ3      LYS  20  19.368  13.004   0.754

  No H/Q in entry =          13
  In of MODEL   11
    1    H    SER  21           H        SER  21  17.696   8.330   2.860
    2    HA   SER  21           HA       SER  21  15.465   6.745   3.587
    3    HB2  SER  21           HB2      SER  21  16.088   9.667   3.991
    4    HB3  SER  21           HB3      SER  21  14.725   8.832   4.735
    5    HG   SER  21           HG       SER  21  16.164   7.493   5.811

  No H/Q in entry =           5
  In of MODEL   11
    1    H    ASN  22           H        ASN  22  13.355   6.857   2.986
    2    HA   ASN  22           HA       ASN  22  12.436   8.827   1.065
    3    HB2  ASN  22           HB2      ASN  22  13.382   6.253   0.207
    4    HB3  ASN  22           HB3      ASN  22  11.634   6.284   0.002
    5   HD21  ASN  22          HD21      ASN  22  10.745   7.595  -1.556
    6   HD22  ASN  22          HD22      ASN  22  11.695   8.459  -2.720

  No H/Q in entry =           6
  In of MODEL   11
    1    H    PHE  23           H        PHE  23  10.001   8.267   0.553
    2    HA   PHE  23           HA       PHE  23   8.797   7.075   2.964
    3    HB2  PHE  23           HB2      PHE  23   7.948   9.546   1.448
    4    HB3  PHE  23           HB3      PHE  23   6.902   8.723   2.591
    5    HD1  PHE  23           HD1      PHE  23  10.371  10.126   2.450
    6    HD2  PHE  23           HD2      PHE  23   6.802   9.567   4.696
    7    HE1  PHE  23           HE1      PHE  23  11.312  11.482   4.275
    8    HE2  PHE  23           HE2      PHE  23   7.733  10.926   6.522
    9    HZ   PHE  23           HZ       PHE  23   9.993  11.868   6.321

  No H/Q in entry =           9
  In of MODEL   11
    1    H    LEU  24           H        LEU  24   7.299   5.538   2.599
    2    HA   LEU  24           HA       LEU  24   6.799   4.747  -0.166
    3    HB2  LEU  24           HB2      LEU  24   7.210   3.405   2.232
    4    HB3  LEU  24           HB3      LEU  24   5.508   3.154   1.900
    5    HG   LEU  24           HG       LEU  24   7.845   2.354   0.135
    6   HD11  LEU  24          HD11      LEU  24   7.487   0.930   2.097
    7   HD12  LEU  24          HD12      LEU  24   5.799   0.713   1.631
    8   HD13  LEU  24          HD13      LEU  24   7.086   0.082   0.601
    9   HD21  LEU  24          HD21      LEU  24   4.882   2.033  -0.364
   10   HD22  LEU  24          HD22      LEU  24   5.999   3.040  -1.287
   11   HD23  LEU  24          HD23      LEU  24   6.169   1.285  -1.309

  No H/Q in entry =          11
  In of MODEL   11
    1    H    ASN  25           H        ASN  25   4.636   4.180  -0.858
    2    HA   ASN  25           HA       ASN  25   2.434   5.294   0.692
    3    HB2  ASN  25           HB2      ASN  25   2.856   7.188  -0.657
    4    HB3  ASN  25           HB3      ASN  25   3.261   6.209  -2.061
    5   HD21  ASN  25          HD21      ASN  25   1.863   7.271  -3.408
    6   HD22  ASN  25          HD22      ASN  25   0.145   7.139  -3.285

  No H/Q in entry =           6
  In of MODEL   11
    1    H    CYS  26           H        CYS  26   0.776   3.952   0.723
    2    HA   CYS  26           HA       CYS  26   0.368   2.138  -1.556
    3    HB2  CYS  26           HB2      CYS  26   1.349   1.141   0.660
    4    HB3  CYS  26           HB3      CYS  26  -0.315   1.279   1.226

  No H/Q in entry =           4
  In of MODEL   11
    1    H    TYR  27           H        TYR  27  -1.546   2.447  -2.436
    2    HA   TYR  27           HA       TYR  27  -3.602   3.909  -0.893
    3    HB2  TYR  27           HB2      TYR  27  -2.253   4.577  -3.360
    4    HB3  TYR  27           HB3      TYR  27  -3.964   4.349  -3.674
    5    HD1  TYR  27           HD1      TYR  27  -5.530   5.652  -1.843
    6    HD2  TYR  27           HD2      TYR  27  -1.547   6.720  -2.933
    7    HE1  TYR  27           HE1      TYR  27  -5.973   7.984  -1.205
    8    HE2  TYR  27           HE2      TYR  27  -1.983   9.040  -2.265
    9    HH   TYR  27           HH       TYR  27  -4.657   9.952  -0.435

  No H/Q in entry =           9
  In of MODEL   11
    1    H    VAL  28           H        VAL  28  -4.989   2.234  -0.416
    2    HA   VAL  28           HA       VAL  28  -5.833   0.551  -2.679
    3    HB   VAL  28           HB       VAL  28  -6.568  -0.051   0.171
    4   HG11  VAL  28          HG11      VAL  28  -6.132  -1.745  -2.281
    5   HG12  VAL  28          HG12      VAL  28  -6.616  -2.348  -0.694
    6   HG13  VAL  28          HG13      VAL  28  -7.688  -1.280  -1.594
    7   HG21  VAL  28          HG21      VAL  28  -3.963  -0.740  -1.171
    8   HG22  VAL  28          HG22      VAL  28  -4.194   0.151   0.336
    9   HG23  VAL  28          HG23      VAL  28  -4.587  -1.571   0.260

  No H/Q in entry =           9
  In of MODEL   11
    1    H    SER  29           H        SER  29  -7.724   1.053  -3.573
    2    HA   SER  29           HA       SER  29  -9.894   2.063  -1.922
    3    HB2  SER  29           HB2      SER  29  -8.775   3.594  -4.279
    4    HB3  SER  29           HB3      SER  29 -10.318   3.953  -3.504
    5    HG   SER  29           HG       SER  29  -8.411   3.761  -1.634

  No H/Q in entry =           5
  In of MODEL   11
    1    H    GLY  30           H        GLY  30 -11.954   2.218  -3.172
    2    HA2  GLY  30           HA2      GLY  30 -12.119   0.488  -5.502
    3    HA3  GLY  30           HA3      GLY  30 -13.447   1.367  -4.753

  No H/Q in entry =           3
  In of MODEL   11
    1    H    PHE  31           H        PHE  31 -14.780   0.176  -3.344
    2    HA   PHE  31           HA       PHE  31 -14.742  -2.283  -2.661
    3    HB2  PHE  31           HB2      PHE  31 -13.530  -2.715  -0.596
    4    HB3  PHE  31           HB3      PHE  31 -12.436  -2.310  -1.918
    5    HD1  PHE  31           HD1      PHE  31 -11.064  -0.410  -1.837
    6    HD2  PHE  31           HD2      PHE  31 -13.847  -1.157   1.280
    7    HE1  PHE  31           HE1      PHE  31  -9.875   1.177  -0.400
    8    HE2  PHE  31           HE2      PHE  31 -12.651   0.428   2.729
    9    HZ   PHE  31           HZ       PHE  31 -10.662   1.591   1.891

  No H/Q in entry =           9
  In of MODEL   11
    1    H    HIS  32           H        HIS  32 -15.588  -2.769  -0.289
    2    HA   HIS  32           HA       HIS  32 -16.948  -0.483   0.893
    3    HB2  HIS  32           HB2      HIS  32 -18.644  -2.906   0.172
    4    HB3  HIS  32           HB3      HIS  32 -19.172  -1.363   0.817
    5    HD2  HIS  32           HD2      HIS  32 -19.259   0.759  -1.044
    6    HE1  HIS  32           HE1      HIS  32 -19.090  -1.835  -4.381
    7    HE2  HIS  32           HE2      HIS  32 -19.750   0.472  -3.576

  No H/Q in entry =           7
  In of MODEL   11
    1    HA   PRO  33           HA       PRO  33 -19.108  -0.839   2.580
    2    HB2  PRO  33           HB2      PRO  33 -18.246  -0.330   5.363
    3    HB3  PRO  33           HB3      PRO  33 -19.851  -0.707   4.732
    4    HG2  PRO  33           HG2      PRO  33 -18.448  -2.505   6.124
    5    HG3  PRO  33           HG3      PRO  33 -19.474  -2.986   4.761
    6    HD2  PRO  33           HD2      PRO  33 -16.503  -2.680   4.883
    7    HD3  PRO  33           HD3      PRO  33 -17.479  -3.917   4.050

  No H/Q in entry =           7
  In of MODEL   11
    1    H    SER  34           H        SER  34 -16.453   0.120   4.816
    2    HA   SER  34           HA       SER  34 -15.474   2.062   2.920
    3    HB2  SER  34           HB2      SER  34 -16.503   2.837   5.671
    4    HB3  SER  34           HB3      SER  34 -15.601   3.900   4.591
    5    HG   SER  34           HG       SER  34 -17.601   2.910   3.185

  No H/Q in entry =           5
  In of MODEL   11
    1    H    ASP  35           H        ASP  35 -14.680  -0.435   4.132
    2    HA   ASP  35           HA       ASP  35 -12.340   0.371   5.730
    3    HB2  ASP  35           HB2      ASP  35 -14.224  -1.902   6.404
    4    HB3  ASP  35           HB3      ASP  35 -12.706  -1.571   7.225

  No H/Q in entry =           4
  In of MODEL   11
    1    H    ILE  36           H        ILE  36 -10.511  -0.640   5.204
    2    HA   ILE  36           HA       ILE  36 -10.567  -3.392   4.298
    3    HB   ILE  36           HB       ILE  36 -10.522  -1.864   2.215
    4   HG12  ILE  36          HG12      ILE  36  -8.604  -4.066   2.871
    5   HG13  ILE  36          HG13      ILE  36 -10.012  -4.109   1.820
    6   HG21  ILE  36          HG21      ILE  36  -7.725  -1.440   3.256
    7   HG22  ILE  36          HG22      ILE  36  -8.257  -1.037   1.622
    8   HG23  ILE  36          HG23      ILE  36  -8.956  -0.199   3.008
    9   HD11  ILE  36          HD11      ILE  36  -8.772  -2.813   0.145
   10   HD12  ILE  36          HD12      ILE  36  -7.365  -2.811   1.209
   11   HD13  ILE  36          HD13      ILE  36  -7.969  -4.330   0.547

  No H/Q in entry =          11
  In of MODEL   11
    1    H    GLU  37           H        GLU  37  -8.478  -4.450   4.615
    2    HA   GLU  37           HA       GLU  37  -6.690  -2.910   6.359
    3    HB2  GLU  37           HB2      GLU  37  -7.938  -4.956   7.306
    4    HB3  GLU  37           HB3      GLU  37  -6.898  -5.907   6.255
    5    HG2  GLU  37           HG2      GLU  37  -5.903  -5.911   8.410
    6    HG3  GLU  37           HG3      GLU  37  -4.928  -4.849   7.392

  No H/Q in entry =           6
  In of MODEL   11
    1    H    VAL  38           H        VAL  38  -4.738  -2.558   5.567
    2    HA   VAL  38           HA       VAL  38  -3.648  -4.409   3.599
    3    HB   VAL  38           HB       VAL  38  -3.935  -2.973   1.926
    4   HG11  VAL  38          HG11      VAL  38  -5.685  -1.878   3.148
    5   HG12  VAL  38          HG12      VAL  38  -4.514  -0.822   3.938
    6   HG13  VAL  38          HG13      VAL  38  -4.778  -0.702   2.198
    7   HG21  VAL  38          HG21      VAL  38  -1.966  -1.232   3.415
    8   HG22  VAL  38          HG22      VAL  38  -1.586  -2.476   2.225
    9   HG23  VAL  38          HG23      VAL  38  -2.429  -1.005   1.726

  No H/Q in entry =           9
  In of MODEL   11
    1    H    ASP  39           H        ASP  39  -1.491  -4.635   3.618
    2    HA   ASP  39           HA       ASP  39  -0.011  -3.291   5.769
    3    HB2  ASP  39           HB2      ASP  39   0.035  -5.119   7.060
    4    HB3  ASP  39           HB3      ASP  39  -1.019  -5.931   5.914

  No H/Q in entry =           4
  In of MODEL   11
    1    H    LEU  40           H        LEU  40   2.222  -3.192   5.491
    2    HA   LEU  40           HA       LEU  40   2.999  -3.479   2.686
    3    HB2  LEU  40           HB2      LEU  40   4.493  -1.954   4.810
    4    HB3  LEU  40           HB3      LEU  40   4.672  -1.829   3.071
    5    HG   LEU  40           HG       LEU  40   2.304  -0.889   4.683
    6   HD11  LEU  40          HD11      LEU  40   4.317   0.491   4.958
    7   HD12  LEU  40          HD12      LEU  40   4.426   0.662   3.204
    8   HD13  LEU  40          HD13      LEU  40   3.050   1.342   4.073
    9   HD21  LEU  40          HD21      LEU  40   2.842  -0.741   1.726
   10   HD22  LEU  40          HD22      LEU  40   1.537  -1.619   2.526
   11   HD23  LEU  40          HD23      LEU  40   1.567   0.149   2.567

  No H/Q in entry =          11
  In of MODEL   11
    1    H    LEU  41           H        LEU  41   4.782  -4.605   2.088
    2    HA   LEU  41           HA       LEU  41   5.854  -6.415   4.137
    3    HB2  LEU  41           HB2      LEU  41   5.774  -7.050   1.231
    4    HB3  LEU  41           HB3      LEU  41   5.966  -8.130   2.577
    5    HG   LEU  41           HG       LEU  41   3.410  -6.697   1.903
    6   HD11  LEU  41          HD11      LEU  41   4.041  -8.346   0.215
    7   HD12  LEU  41          HD12      LEU  41   4.243  -9.564   1.476
    8   HD13  LEU  41          HD13      LEU  41   2.648  -8.890   1.150
    9   HD21  LEU  41          HD21      LEU  41   4.048  -8.857   3.907
   10   HD22  LEU  41          HD22      LEU  41   3.648  -7.179   4.276
   11   HD23  LEU  41          HD23      LEU  41   2.438  -8.234   3.544

  No H/Q in entry =          11
  In of MODEL   11
    1    H    LYS  42           H        LYS  42   7.738  -7.587   3.174
    2    HA   LYS  42           HA       LYS  42   9.650  -6.001   1.744
    3    HB2  LYS  42           HB2      LYS  42  10.402  -6.999   4.473
    4    HB3  LYS  42           HB3      LYS  42  11.406  -6.079   3.377
    5    HG2  LYS  42           HG2      LYS  42   9.782  -4.169   3.575
    6    HG3  LYS  42           HG3      LYS  42   8.941  -5.093   4.785
    7    HD2  LYS  42           HD2      LYS  42  10.509  -3.467   5.787
    8    HD3  LYS  42           HD3      LYS  42  10.919  -5.132   6.204
    9    HE2  LYS  42           HE2      LYS  42  12.624  -5.160   4.453
   10    HE3  LYS  42           HE3      LYS  42  12.212  -3.503   4.020
   11    HZ1  LYS  42           HZ1      LYS  42  13.084  -4.209   6.756
   12    HZ2  LYS  42           HZ2      LYS  42  14.204  -3.864   5.529
   13    HZ3  LYS  42           HZ3      LYS  42  13.080  -2.689   6.005

  No H/Q in entry =          13
  In of MODEL   11
    1    H    ASN  43           H        ASN  43   9.986  -7.448   0.275
    2    HA   ASN  43           HA       ASN  43  10.677  -9.327  -0.811
    3    HB2  ASN  43           HB2      ASN  43  11.631 -10.177   1.938
    4    HB3  ASN  43           HB3      ASN  43  12.004 -11.049   0.452
    5   HD21  ASN  43          HD21      ASN  43  12.538  -8.136   2.283
    6   HD22  ASN  43          HD22      ASN  43  13.925  -7.582   1.409

  No H/Q in entry =           6
  In of MODEL   11
    1    H    GLY  44           H        GLY  44   8.545  -9.465   1.801
    2    HA2  GLY  44           HA2      GLY  44   7.579 -12.153   1.214
    3    HA3  GLY  44           HA3      GLY  44   6.470 -10.807   0.895

  No H/Q in entry =           3
  In of MODEL   11
    1    H    GLU  45           H        GLU  45   8.427  -9.888   3.381
    2    HA   GLU  45           HA       GLU  45   6.839 -11.175   5.471
    3    HB2  GLU  45           HB2      GLU  45   9.447  -9.678   5.611
    4    HB3  GLU  45           HB3      GLU  45   8.647 -10.444   6.977
    5    HG2  GLU  45           HG2      GLU  45   8.822 -12.609   5.674
    6    HG3  GLU  45           HG3      GLU  45   9.901 -11.741   4.579

  No H/Q in entry =           6
  In of MODEL   11
    1    H    ARG  46           H        ARG  46   5.854  -9.978   7.085
    2    HA   ARG  46           HA       ARG  46   4.684  -7.540   6.258
    3    HB2  ARG  46           HB2      ARG  46   3.585  -9.254   7.699
    4    HB3  ARG  46           HB3      ARG  46   4.692  -8.835   8.990
    5    HG2  ARG  46           HG2      ARG  46   3.678  -6.796   9.347
    6    HG3  ARG  46           HG3      ARG  46   2.905  -6.797   7.750
    7    HD2  ARG  46           HD2      ARG  46   1.859  -7.841  10.209
    8    HD3  ARG  46           HD3      ARG  46   1.071  -7.737   8.636
    9    HE   ARG  46           HE       ARG  46   2.673 -10.019   9.614
   10   HH11  ARG  46          HH11      ARG  46   0.232  -8.700   7.467
   11   HH12  ARG  46          HH12      ARG  46  -0.351 -10.258   6.967
   12   HH21  ARG  46          HH21      ARG  46   1.930 -12.057   8.943
   13   HH22  ARG  46          HH22      ARG  46   0.629 -12.174   7.797

  No H/Q in entry =          13
  In of MODEL   11
    1    H    ILE  47           H        ILE  47   5.025  -5.446   6.864
    2    HA   ILE  47           HA       ILE  47   7.341  -4.820   8.558
    3    HB   ILE  47           HB       ILE  47   5.582  -2.929   6.969
    4   HG12  ILE  47          HG12      ILE  47   8.381  -3.829   6.313
    5   HG13  ILE  47          HG13      ILE  47   6.948  -4.487   5.526
    6   HG21  ILE  47          HG21      ILE  47   6.660  -1.879   8.880
    7   HG22  ILE  47          HG22      ILE  47   8.229  -2.485   8.349
    8   HG23  ILE  47          HG23      ILE  47   7.364  -1.297   7.371
    9   HD11  ILE  47          HD11      ILE  47   6.513  -1.867   5.152
   10   HD12  ILE  47          HD12      ILE  47   8.273  -1.879   5.185
   11   HD13  ILE  47          HD13      ILE  47   7.405  -2.870   4.010

  No H/Q in entry =          11
  In of MODEL   11
    1    H    GLU  48           H        GLU  48   7.092  -3.803  10.520
    2    HA   GLU  48           HA       GLU  48   4.343  -3.697  11.490
    3    HB2  GLU  48           HB2      GLU  48   5.600  -3.472  13.775
    4    HB3  GLU  48           HB3      GLU  48   5.417  -5.033  12.998
    5    HG2  GLU  48           HG2      GLU  48   7.877  -3.322  12.831
    6    HG3  GLU  48           HG3      GLU  48   7.650  -4.621  13.992

  No H/Q in entry =           6
  In of MODEL   11
    1    H    LYS  49           H        LYS  49   7.199  -1.593  11.218
    2    HA   LYS  49           HA       LYS  49   6.240   0.634  12.541
    3    HB2  LYS  49           HB2      LYS  49   8.003   0.494  10.103
    4    HB3  LYS  49           HB3      LYS  49   7.868   1.867  11.198
    5    HG2  LYS  49           HG2      LYS  49   8.489  -0.675  12.495
    6    HG3  LYS  49           HG3      LYS  49   9.728  -0.084  11.393
    7    HD2  LYS  49           HD2      LYS  49  10.161   0.737  13.610
    8    HD3  LYS  49           HD3      LYS  49   9.676   2.082  12.581
    9    HE2  LYS  49           HE2      LYS  49   7.356   1.824  13.485
   10    HE3  LYS  49           HE3      LYS  49   7.993   0.639  14.625
   11    HZ1  LYS  49           HZ1      LYS  49   9.532   2.406  15.414
   12    HZ2  LYS  49           HZ2      LYS  49   8.702   3.513  14.437
   13    HZ3  LYS  49           HZ3      LYS  49   7.895   2.741  15.711

  No H/Q in entry =          13
  In of MODEL   11
    1    H    VAL  50           H        VAL  50   4.849  -0.681   9.780
    2    HA   VAL  50           HA       VAL  50   4.120   1.603   8.331
    3    HB   VAL  50           HB       VAL  50   2.556  -0.956   8.653
    4   HG11  VAL  50          HG11      VAL  50   1.245   0.975   7.780
    5   HG12  VAL  50          HG12      VAL  50   2.424   1.122   6.466
    6   HG13  VAL  50          HG13      VAL  50   1.438  -0.336   6.601
    7   HG21  VAL  50          HG21      VAL  50   4.626  -0.113   6.635
    8   HG22  VAL  50          HG22      VAL  50   4.782  -1.389   7.843
    9   HG23  VAL  50          HG23      VAL  50   3.635  -1.566   6.519

  No H/Q in entry =           9
  In of MODEL   11
    1    H    GLU  51           H        GLU  51   2.472   3.020   8.448
    2    HA   GLU  51           HA       GLU  51   0.449   2.648  10.519
    3    HB2  GLU  51           HB2      GLU  51   1.831   5.306  10.112
    4    HB3  GLU  51           HB3      GLU  51   0.649   4.882  11.347
    5    HG2  GLU  51           HG2      GLU  51   2.206   3.467  12.453
    6    HG3  GLU  51           HG3      GLU  51   3.383   3.663  11.155

  No H/Q in entry =           6
  In of MODEL   11
    1    H    HIS  52           H        HIS  52  -1.404   3.931  10.147
    2    HA   HIS  52           HA       HIS  52  -1.757   4.735   7.339
    3    HB2  HIS  52           HB2      HIS  52  -4.200   4.301   7.680
    4    HB3  HIS  52           HB3      HIS  52  -3.166   2.880   7.732
    5    HD2  HIS  52           HD2      HIS  52  -2.687   1.980  10.504
    6    HE1  HIS  52           HE1      HIS  52  -6.371   3.641  11.753
    7    HE2  HIS  52           HE2      HIS  52  -4.596   1.906  12.258

  No H/Q in entry =           7
  In of MODEL   11
    1    H    SER  53           H        SER  53  -2.363   6.744   6.873
    2    HA   SER  53           HA       SER  53  -2.504   8.670   9.030
    3    HB2  SER  53           HB2      SER  53  -2.717  10.285   7.001
    4    HB3  SER  53           HB3      SER  53  -1.214   9.363   7.136
    5    HG   SER  53           HG       SER  53  -3.369   9.022   5.361

  No H/Q in entry =           5
  In of MODEL   11
    1    H    ASP  54           H        ASP  54  -4.206  10.615   7.924
    2    HA   ASP  54           HA       ASP  54  -6.672   9.978   9.008
    3    HB2  ASP  54           HB2      ASP  54  -6.051  12.284   8.589
    4    HB3  ASP  54           HB3      ASP  54  -6.024  12.000   6.854

  No H/Q in entry =           4
  In of MODEL   11
    1    H    LEU  55           H        LEU  55  -8.442   9.002   8.351
    2    HA   LEU  55           HA       LEU  55  -8.402   6.997   6.515
    3    HB2  LEU  55           HB2      LEU  55 -10.098   7.274   8.290
    4    HB3  LEU  55           HB3      LEU  55 -10.877   8.519   7.329
    5    HG   LEU  55           HG       LEU  55 -11.286   6.828   5.543
    6   HD11  LEU  55          HD11      LEU  55  -9.508   5.251   6.147
    7   HD12  LEU  55          HD12      LEU  55 -10.379   4.846   7.626
    8   HD13  LEU  55          HD13      LEU  55 -11.086   4.469   6.056
    9   HD21  LEU  55          HD21      LEU  55 -13.004   7.444   7.201
   10   HD22  LEU  55          HD22      LEU  55 -13.159   5.777   6.644
   11   HD23  LEU  55          HD23      LEU  55 -12.463   6.115   8.228

  No H/Q in entry =          11
  In of MODEL   11
    1    H    SER  56           H        SER  56 -10.693   9.621   5.836
    2    HA   SER  56           HA       SER  56  -9.809   9.981   3.146
    3    HB2  SER  56           HB2      SER  56 -10.665   7.656   3.020
    4    HB3  SER  56           HB3      SER  56 -12.235   8.218   3.585
    5    HG   SER  56           HG       SER  56 -12.661   9.006   1.665

  No H/Q in entry =           5
  In of MODEL   11
    1    H    PHE  57           H        PHE  57 -11.736  10.880   1.805
    2    HA   PHE  57           HA       PHE  57 -13.738  12.243   3.426
    3    HB2  PHE  57           HB2      PHE  57 -11.886  13.902   3.039
    4    HB3  PHE  57           HB3      PHE  57 -12.122  13.705   1.305
    5    HD1  PHE  57           HD1      PHE  57 -14.082  14.603   0.206
    6    HD2  PHE  57           HD2      PHE  57 -13.493  15.104   4.386
    7    HE1  PHE  57           HE1      PHE  57 -15.845  16.317   0.235
    8    HE2  PHE  57           HE2      PHE  57 -15.247  16.829   4.430
    9    HZ   PHE  57           HZ       PHE  57 -16.424  17.440   2.355

  No H/Q in entry =           9
  In of MODEL   11
    1    H    SER  58           H        SER  58 -15.670  12.374   2.410
    2    HA   SER  58           HA       SER  58 -16.102  10.691   0.139
    3    HB2  SER  58           HB2      SER  58 -17.669  10.918   2.093
    4    HB3  SER  58           HB3      SER  58 -18.069  12.536   1.522
    5    HG   SER  58           HG       SER  58 -19.345  10.467   0.854

  No H/Q in entry =           5
  In of MODEL   11
    1    H    LYS  59           H        LYS  59 -18.216  12.091  -1.052
    2    HA   LYS  59           HA       LYS  59 -18.860  13.852  -2.406
    3    HB2  LYS  59           HB2      LYS  59 -17.592  15.304  -0.806
    4    HB3  LYS  59           HB3      LYS  59 -16.186  15.123  -1.841
    5    HG2  LYS  59           HG2      LYS  59 -17.252  17.222  -2.282
    6    HG3  LYS  59           HG3      LYS  59 -17.441  16.162  -3.682
    7    HD2  LYS  59           HD2      LYS  59 -19.709  15.772  -3.220
    8    HD3  LYS  59           HD3      LYS  59 -19.562  16.355  -1.560
    9    HE2  LYS  59           HE2      LYS  59 -19.364  18.034  -4.064
   10    HE3  LYS  59           HE3      LYS  59 -20.737  17.970  -2.960
   11    HZ1  LYS  59           HZ1      LYS  59 -18.000  18.867  -2.216
   12    HZ2  LYS  59           HZ2      LYS  59 -19.305  19.895  -2.550
   13    HZ3  LYS  59           HZ3      LYS  59 -19.362  18.862  -1.207

  No H/Q in entry =          13
  In of MODEL   11
    1    H    ASP  60           H        ASP  60 -15.964  12.054  -2.831
    2    HA   ASP  60           HA       ASP  60 -15.661  12.878  -5.612
    3    HB2  ASP  60           HB2      ASP  60 -13.583  12.608  -4.427
    4    HB3  ASP  60           HB3      ASP  60 -14.056  11.011  -3.855

  No H/Q in entry =           4
  In of MODEL   11
    1    H    TRP  61           H        TRP  61 -15.723   9.731  -3.963
    2    HA   TRP  61           HA       TRP  61 -18.037   8.739  -5.154
    3    HB2  TRP  61           HB2      TRP  61 -16.671   8.917  -7.238
    4    HB3  TRP  61           HB3      TRP  61 -15.522   7.783  -6.536
    5    HD1  TRP  61           HD1      TRP  61 -15.917   5.332  -7.199
    6    HE1  TRP  61           HE1      TRP  61 -17.907   3.949  -8.082
    7    HE3  TRP  61           HE3      TRP  61 -19.532   8.943  -7.044
    8    HZ2  TRP  61           HZ2      TRP  61 -20.643   4.347  -8.630
    9    HZ3  TRP  61           HZ3      TRP  61 -21.810   8.376  -7.757
   10    HH2  TRP  61           HH2      TRP  61 -22.360   6.094  -8.545

  No H/Q in entry =          10
  In of MODEL   11
    1    H    SER  62           H        SER  62 -14.758   7.443  -4.671
    2    HA   SER  62           HA       SER  62 -15.908   5.488  -2.800
    3    HB2  SER  62           HB2      SER  62 -13.262   5.378  -4.300
    4    HB3  SER  62           HB3      SER  62 -13.956   4.071  -3.329
    5    HG   SER  62           HG       SER  62 -14.941   5.171  -5.756

  No H/Q in entry =           5
  In of MODEL   11
    1    H    PHE  63           H        PHE  63 -14.593   4.937  -0.927
    2    HA   PHE  63           HA       PHE  63 -13.268   7.299   0.177
    3    HB2  PHE  63           HB2      PHE  63 -13.973   4.737   1.638
    4    HB3  PHE  63           HB3      PHE  63 -13.598   6.301   2.346
    5    HD1  PHE  63           HD1      PHE  63 -15.301   7.963   2.639
    6    HD2  PHE  63           HD2      PHE  63 -16.151   4.362   0.526
    7    HE1  PHE  63           HE1      PHE  63 -17.723   8.459   2.768
    8    HE2  PHE  63           HE2      PHE  63 -18.561   4.855   0.642
    9    HZ   PHE  63           HZ       PHE  63 -19.342   6.902   1.761

  No H/Q in entry =           9
  In of MODEL   11
    1    H    TYR  64           H        TYR  64 -11.162   7.313   0.815
    2    HA   TYR  64           HA       TYR  64  -9.555   5.092  -0.228
    3    HB2  TYR  64           HB2      TYR  64  -8.261   7.647   0.606
    4    HB3  TYR  64           HB3      TYR  64  -7.899   6.592  -0.761
    5    HD1  TYR  64           HD1      TYR  64  -9.503   9.589   0.327
    6    HD2  TYR  64           HD2      TYR  64  -9.451   6.696  -2.794
    7    HE1  TYR  64           HE1      TYR  64 -10.614  11.193  -1.165
    8    HE2  TYR  64           HE2      TYR  64 -10.569   8.296  -4.296
    9    HH   TYR  64           HH       TYR  64 -11.956  10.278  -4.176

  No H/Q in entry =           9
  In of MODEL   11
    1    H    LEU  65           H        LEU  65  -7.917   4.149   1.026
    2    HA   LEU  65           HA       LEU  65  -7.464   5.308   3.682
    3    HB2  LEU  65           HB2      LEU  65  -8.876   3.552   4.250
    4    HB3  LEU  65           HB3      LEU  65  -8.201   2.475   3.045
    5    HG   LEU  65           HG       LEU  65  -6.328   3.238   5.187
    6   HD11  LEU  65          HD11      LEU  65  -8.458   3.153   6.416
    7   HD12  LEU  65          HD12      LEU  65  -8.742   1.533   5.777
    8   HD13  LEU  65          HD13      LEU  65  -7.378   1.833   6.855
    9   HD21  LEU  65          HD21      LEU  65  -7.249   0.625   4.000
   10   HD22  LEU  65          HD22      LEU  65  -5.840   1.553   3.490
   11   HD23  LEU  65          HD23      LEU  65  -5.887   0.837   5.100

  No H/Q in entry =          11
  In of MODEL   11
    1    H    LEU  66           H        LEU  66  -5.357   5.471   4.265
    2    HA   LEU  66           HA       LEU  66  -3.467   4.632   2.185
    3    HB2  LEU  66           HB2      LEU  66  -3.812   7.032   2.232
    4    HB3  LEU  66           HB3      LEU  66  -3.483   7.094   3.936
    5    HG   LEU  66           HG       LEU  66  -1.136   6.788   3.578
    6   HD11  LEU  66          HD11      LEU  66  -1.788   5.987   0.789
    7   HD12  LEU  66          HD12      LEU  66  -0.167   6.411   1.342
    8   HD13  LEU  66          HD13      LEU  66  -1.010   5.031   2.048
    9   HD21  LEU  66          HD21      LEU  66  -1.941   9.027   3.059
   10   HD22  LEU  66          HD22      LEU  66  -0.541   8.594   2.079
   11   HD23  LEU  66          HD23      LEU  66  -2.157   8.550   1.374

  No H/Q in entry =          11
  In of MODEL   11
    1    H    TYR  67           H        TYR  67  -1.853   3.349   2.753
    2    HA   TYR  67           HA       TYR  67  -0.997   3.263   5.563
    3    HB2  TYR  67           HB2      TYR  67  -1.608   1.075   3.662
    4    HB3  TYR  67           HB3      TYR  67  -0.214   0.853   4.713
    5    HD1  TYR  67           HD1      TYR  67  -3.830   0.827   4.497
    6    HD2  TYR  67           HD2      TYR  67  -0.533   0.873   7.188
    7    HE1  TYR  67           HE1      TYR  67  -5.274  -0.003   6.280
    8    HE2  TYR  67           HE2      TYR  67  -1.990   0.062   8.994
    9    HH   TYR  67           HH       TYR  67  -4.990  -1.275   8.482

  No H/Q in entry =           9
  In of MODEL   11
    1    H    TYR  68           H        TYR  68   0.961   4.053   5.826
    2    HA   TYR  68           HA       TYR  68   2.951   3.552   3.744
    3    HB2  TYR  68           HB2      TYR  68   3.723   5.880   3.691
    4    HB3  TYR  68           HB3      TYR  68   2.072   5.716   3.096
    5    HD1  TYR  68           HD1      TYR  68   1.114   5.629   6.259
    6    HD2  TYR  68           HD2      TYR  68   3.344   8.258   3.750
    7    HE1  TYR  68           HE1      TYR  68   0.372   7.570   7.590
    8    HE2  TYR  68           HE2      TYR  68   2.637  10.166   5.107
    9    HH   TYR  68           HH       TYR  68   1.110   9.827   8.135

  No H/Q in entry =           9
  In of MODEL   11
    1    H    THR  69           H        THR  69   5.163   4.206   4.386
    2    HA   THR  69           HA       THR  69   5.691   4.356   7.238
    3    HB   THR  69           HB       THR  69   5.357   1.920   6.861
    4    HG1  THR  69           HG1      THR  69   8.123   2.188   7.269
    5   HG21  THR  69          HG21      THR  69   7.659   2.245   4.929
    6   HG22  THR  69          HG22      THR  69   7.126   0.690   5.570
    7   HG23  THR  69          HG23      THR  69   6.031   1.652   4.570

  No H/Q in entry =           7
  In of MODEL   11
    1    H    GLU  70           H        GLU  70   7.856   4.882   7.704
    2    HA   GLU  70           HA       GLU  70   9.381   6.058   5.522
    3    HB2  GLU  70           HB2      GLU  70   9.153   7.175   7.774
    4    HB3  GLU  70           HB3      GLU  70  10.086   5.859   8.468
    5    HG2  GLU  70           HG2      GLU  70  11.933   6.503   6.856
    6    HG3  GLU  70           HG3      GLU  70  11.001   7.957   6.529

  No H/Q in entry =           6
  In of MODEL   11
    1    H    PHE  71           H        PHE  71  11.171   5.150   4.603
    2    HA   PHE  71           HA       PHE  71  12.326   2.753   5.771
    3    HB2  PHE  71           HB2      PHE  71  11.953   1.325   3.857
    4    HB3  PHE  71           HB3      PHE  71  10.405   1.899   4.451
    5    HD1  PHE  71           HD1      PHE  71  11.086   0.673   1.749
    6    HD2  PHE  71           HD2      PHE  71  10.752   4.707   3.050
    7    HE1  PHE  71           HE1      PHE  71  10.484   1.341  -0.536
    8    HE2  PHE  71           HE2      PHE  71  10.168   5.396   0.752
    9    HZ   PHE  71           HZ       PHE  71  10.043   3.716  -1.052

  No H/Q in entry =           9
  In of MODEL   11
    1    H    THR  72           H        THR  72  14.347   2.169   4.799
    2    HA   THR  72           HA       THR  72  15.509   4.260   3.088
    3    HB   THR  72           HB       THR  72  16.986   2.300   4.860
    4    HG1  THR  72           HG1      THR  72  17.393   4.550   5.916
    5   HG21  THR  72          HG21      THR  72  17.911   4.742   3.331
    6   HG22  THR  72          HG22      THR  72  18.905   3.817   4.457
    7   HG23  THR  72          HG23      THR  72  18.325   3.064   2.970

  No H/Q in entry =           7
  In of MODEL   11
    1    HA   PRO  73           HA       PRO  73  14.862   0.638   0.255
    2    HB2  PRO  73           HB2      PRO  73  15.574   2.317  -1.908
    3    HB3  PRO  73           HB3      PRO  73  13.927   1.889  -1.405
    4    HG2  PRO  73           HG2      PRO  73  15.530   4.327  -0.805
    5    HG3  PRO  73           HG3      PRO  73  13.780   4.171  -1.060
    6    HD2  PRO  73           HD2      PRO  73  14.789   4.501   1.396
    7    HD3  PRO  73           HD3      PRO  73  13.408   3.417   1.114

  No H/Q in entry =           7
  In of MODEL   11
    1    H    THR  74           H        THR  74  16.279  -0.646  -0.661
    2    HA   THR  74           HA       THR  74  19.031   0.201  -1.078
    3    HB   THR  74           HB       THR  74  19.832  -1.957  -0.149
    4    HG1  THR  74           HG1      THR  74  18.165  -2.980   1.319
    5   HG21  THR  74          HG21      THR  74  18.208  -0.299   1.787
    6   HG22  THR  74          HG22      THR  74  19.477  -1.440   2.244
    7   HG23  THR  74          HG23      THR  74  19.879  -0.004   1.304

  No H/Q in entry =           7
  In of MODEL   11
    1    H    GLU  75           H        GLU  75  20.136  -1.459  -2.515
    2    HA   GLU  75           HA       GLU  75  18.310  -2.247  -4.549
    3    HB2  GLU  75           HB2      GLU  75  20.898  -3.471  -4.875
    4    HB3  GLU  75           HB3      GLU  75  20.038  -2.327  -5.885
    5    HG2  GLU  75           HG2      GLU  75  22.232  -1.514  -5.359
    6    HG3  GLU  75           HG3      GLU  75  20.997  -0.466  -4.674

  No H/Q in entry =           6
  In of MODEL   11
    1    H    LYS  76           H        LYS  76  20.028  -3.864  -2.020
    2    HA   LYS  76           HA       LYS  76  19.533  -6.483  -2.960
    3    HB2  LYS  76           HB2      LYS  76  20.443  -5.485  -0.271
    4    HB3  LYS  76           HB3      LYS  76  20.530  -7.152  -0.827
    5    HG2  LYS  76           HG2      LYS  76  22.033  -4.782  -1.940
    6    HG3  LYS  76           HG3      LYS  76  22.702  -6.178  -1.086
    7    HD2  LYS  76           HD2      LYS  76  21.961  -7.630  -2.918
    8    HD3  LYS  76           HD3      LYS  76  21.321  -6.219  -3.764
    9    HE2  LYS  76           HE2      LYS  76  23.580  -5.260  -3.837
   10    HE3  LYS  76           HE3      LYS  76  24.203  -6.692  -3.019
   11    HZ1  LYS  76           HZ1      LYS  76  23.387  -8.023  -4.910
   12    HZ2  LYS  76           HZ2      LYS  76  22.937  -6.592  -5.702
   13    HZ3  LYS  76           HZ3      LYS  76  24.571  -6.895  -5.365

  No H/Q in entry =          13
  In of MODEL   11
    1    H    ASP  77           H        ASP  77  17.787  -4.328  -0.734
    2    HA   ASP  77           HA       ASP  77  16.129  -6.596   0.143
    3    HB2  ASP  77           HB2      ASP  77  16.968  -4.444   1.582
    4    HB3  ASP  77           HB3      ASP  77  15.376  -3.884   1.058

  No H/Q in entry =           4
  In of MODEL   11
    1    H    GLU  78           H        GLU  78  13.616  -5.660   0.432
    2    HA   GLU  78           HA       GLU  78  12.714  -4.361  -1.982
    3    HB2  GLU  78           HB2      GLU  78  13.328  -6.620  -2.794
    4    HB3  GLU  78           HB3      GLU  78  12.191  -7.332  -1.660
    5    HG2  GLU  78           HG2      GLU  78  11.183  -7.256  -3.826
    6    HG3  GLU  78           HG3      GLU  78  10.371  -6.042  -2.832

  No H/Q in entry =           6
  In of MODEL   11
    1    H    TYR  79           H        TYR  79  10.474  -3.835  -1.859
    2    HA   TYR  79           HA       TYR  79   9.152  -4.807   0.561
    3    HB2  TYR  79           HB2      TYR  79   8.714  -1.957  -0.320
    4    HB3  TYR  79           HB3      TYR  79   8.393  -2.703   1.245
    5    HD1  TYR  79           HD1      TYR  79   9.723  -2.085   2.987
    6    HD2  TYR  79           HD2      TYR  79  11.374  -1.990  -0.933
    7    HE1  TYR  79           HE1      TYR  79  11.820  -1.161   3.893
    8    HE2  TYR  79           HE2      TYR  79  13.474  -1.087  -0.030
    9    HH   TYR  79           HH       TYR  79  14.241   0.169   1.956

  No H/Q in entry =           9
  In of MODEL   11
    1    H    ALA  80           H        ALA  80   6.838  -4.649   0.554
    2    HA   ALA  80           HA       ALA  80   5.633  -4.572  -2.126
    3    HB1  ALA  80           HB1      ALA  80   6.427  -6.885  -1.786
    4    HB2  ALA  80           HB2      ALA  80   4.677  -6.767  -1.968
    5    HB3  ALA  80           HB3      ALA  80   5.380  -7.002  -0.369

  No H/Q in entry =           5
  In of MODEL   11
    1    H    CYS  81           H        CYS  81   3.229  -4.769  -2.063
    2    HA   CYS  81           HA       CYS  81   2.142  -3.699   0.467
    3    HB2  CYS  81           HB2      CYS  81   1.772  -2.961  -2.376
    4    HB3  CYS  81           HB3      CYS  81   0.301  -3.010  -1.413

  No H/Q in entry =           4
  In of MODEL   11
    1    H    ARG  82           H        ARG  82   0.548  -4.877   1.413
    2    HA   ARG  82           HA       ARG  82  -0.735  -7.043  -0.155
    3    HB2  ARG  82           HB2      ARG  82   0.804  -7.627   1.861
    4    HB3  ARG  82           HB3      ARG  82  -0.515  -6.992   2.840
    5    HG2  ARG  82           HG2      ARG  82  -2.005  -8.653   1.568
    6    HG3  ARG  82           HG3      ARG  82  -0.487  -9.422   1.093
    7    HD2  ARG  82           HD2      ARG  82  -1.496  -8.973   3.897
    8    HD3  ARG  82           HD3      ARG  82  -1.331 -10.510   3.069
    9    HE   ARG  82           HE       ARG  82   0.876  -8.845   4.061
   10   HH11  ARG  82          HH11      ARG  82  -0.390 -11.934   2.964
   11   HH12  ARG  82          HH12      ARG  82   1.072 -12.803   3.320
   12   HH21  ARG  82          HH21      ARG  82   2.752 -10.021   4.623
   13   HH22  ARG  82          HH22      ARG  82   2.833 -11.732   4.327

  No H/Q in entry =          13
  In of MODEL   11
    1    H    VAL  83           H        VAL  83  -2.981  -7.084  -0.160
    2    HA   VAL  83           HA       VAL  83  -4.316  -5.574   1.988
    3    HB   VAL  83           HB       VAL  83  -5.853  -4.481   0.661
    4   HG11  VAL  83          HG11      VAL  83  -3.320  -4.500  -0.920
    5   HG12  VAL  83          HG12      VAL  83  -4.613  -3.309  -1.069
    6   HG13  VAL  83          HG13      VAL  83  -3.723  -3.460   0.447
    7   HG21  VAL  83          HG21      VAL  83  -5.100  -6.264  -1.644
    8   HG22  VAL  83          HG22      VAL  83  -6.590  -6.336  -0.703
    9   HG23  VAL  83          HG23      VAL  83  -6.251  -4.932  -1.716

  No H/Q in entry =           9
  In of MODEL   11
    1    H    ASN  84           H        ASN  84  -6.104  -6.447   2.781
    2    HA   ASN  84           HA       ASN  84  -6.950  -9.039   1.710
    3    HB2  ASN  84           HB2      ASN  84  -7.178  -8.080   4.581
    4    HB3  ASN  84           HB3      ASN  84  -7.579  -9.679   3.982
    5   HD21  ASN  84          HD21      ASN  84  -4.931  -7.442   4.534
    6   HD22  ASN  84          HD22      ASN  84  -3.695  -8.648   4.671

  No H/Q in entry =           6
  In of MODEL   11
    1    H    HIS  85           H        HIS  85  -8.984  -9.078   0.893
    2    HA   HIS  85           HA       HIS  85 -11.076  -7.749   2.381
    3    HB2  HIS  85           HB2      HIS  85 -10.123  -6.238   0.440
    4    HB3  HIS  85           HB3      HIS  85 -11.051  -7.329  -0.585
    5    HD2  HIS  85           HD2      HIS  85 -11.748  -4.871   2.421
    6    HE1  HIS  85           HE1      HIS  85 -15.247  -5.373   0.088
    7    HE2  HIS  85           HE2      HIS  85 -14.179  -4.064   1.974

  No H/Q in entry =           7
  In of MODEL   11
    1    H    VAL  86           H        VAL  86 -13.223  -8.501   1.581
    2    HA   VAL  86           HA       VAL  86 -13.161 -11.321   1.372
    3    HB   VAL  86           HB       VAL  86 -15.592 -11.229   1.284
    4   HG11  VAL  86          HG11      VAL  86 -14.418  -9.252   3.234
    5   HG12  VAL  86          HG12      VAL  86 -15.999 -10.019   3.383
    6   HG13  VAL  86          HG13      VAL  86 -14.533 -10.998   3.451
    7   HG21  VAL  86          HG21      VAL  86 -15.836  -9.322  -0.235
    8   HG22  VAL  86          HG22      VAL  86 -16.801  -9.113   1.227
    9   HG23  VAL  86          HG23      VAL  86 -15.283  -8.237   1.039

  No H/Q in entry =           9
  In of MODEL   11
    1    H    THR  87           H        THR  87 -13.204  -8.825  -1.021
    2    HA   THR  87           HA       THR  87 -14.472 -10.367  -3.056
    3    HB   THR  87           HB       THR  87 -13.870  -8.587  -4.556
    4    HG1  THR  87           HG1      THR  87 -11.719  -8.237  -3.977
    5   HG21  THR  87          HG21      THR  87 -15.616  -8.123  -2.837
    6   HG22  THR  87          HG22      THR  87 -14.374  -7.320  -1.873
    7   HG23  THR  87          HG23      THR  87 -14.809  -6.679  -3.458

  No H/Q in entry =           7
  In of MODEL   11
    1    H    LEU  88           H        LEU  88 -11.168  -9.755  -2.070
    2    HA   LEU  88           HA       LEU  88 -10.050 -11.082  -4.363
    3    HB2  LEU  88           HB2      LEU  88  -8.771 -10.132  -1.785
    4    HB3  LEU  88           HB3      LEU  88  -7.890 -10.800  -3.146
    5    HG   LEU  88           HG       LEU  88  -9.418  -8.203  -3.059
    6   HD11  LEU  88          HD11      LEU  88  -7.166  -8.180  -2.058
    7   HD12  LEU  88          HD12      LEU  88  -6.503  -8.794  -3.582
    8   HD13  LEU  88          HD13      LEU  88  -7.260  -7.197  -3.529
    9   HD21  LEU  88          HD21      LEU  88  -8.124  -9.570  -5.412
   10   HD22  LEU  88          HD22      LEU  88  -9.844  -9.243  -5.198
   11   HD23  LEU  88          HD23      LEU  88  -8.709  -7.908  -5.401

  No H/Q in entry =          11
  In of MODEL   11
    1    H    SER  89           H        SER  89 -10.142 -13.227  -4.520
    2    HA   SER  89           HA       SER  89 -10.935 -14.896  -2.392
    3    HB2  SER  89           HB2      SER  89 -10.489 -16.755  -3.960
    4    HB3  SER  89           HB3      SER  89 -11.392 -15.454  -4.729
    5    HG   SER  89           HG       SER  89  -9.091 -16.511  -5.492

  No H/Q in entry =           5
  In of MODEL   11
    1    H    GLN  90           H        GLN  90  -7.899 -13.647  -3.311
    2    HA   GLN  90           HA       GLN  90  -6.626 -15.027  -1.088
    3    HB2  GLN  90           HB2      GLN  90  -5.114 -14.500  -3.644
    4    HB3  GLN  90           HB3      GLN  90  -4.671 -15.555  -2.317
    5    HG2  GLN  90           HG2      GLN  90  -6.060 -17.268  -3.039
    6    HG3  GLN  90           HG3      GLN  90  -7.048 -16.179  -4.023
    7   HE21  GLN  90          HE21      GLN  90  -6.801 -17.501  -5.828
    8   HE22  GLN  90          HE22      GLN  90  -5.316 -17.558  -6.720

  No H/Q in entry =           8
  In of MODEL   11
    1    HA   PRO  91           HA       PRO  91  -5.856 -10.547  -0.275
    2    HB2  PRO  91           HB2      PRO  91  -3.523 -11.949   1.019
    3    HB3  PRO  91           HB3      PRO  91  -4.426 -10.514   1.566
    4    HG2  PRO  91           HG2      PRO  91  -5.008 -12.830   2.639
    5    HG3  PRO  91           HG3      PRO  91  -6.333 -11.764   2.087
    6    HD2  PRO  91           HD2      PRO  91  -5.206 -14.254   0.804
    7    HD3  PRO  91           HD3      PRO  91  -6.909 -13.702   0.869

  No H/Q in entry =           7
  In of MODEL   11
    1    H    LYS  92           H        LYS  92  -4.638  -9.085  -1.282
    2    HA   LYS  92           HA       LYS  92  -3.085 -10.201  -3.462
    3    HB2  LYS  92           HB2      LYS  92  -5.074  -8.673  -3.816
    4    HB3  LYS  92           HB3      LYS  92  -4.062  -7.373  -3.201
    5    HG2  LYS  92           HG2      LYS  92  -3.995  -7.376  -5.598
    6    HG3  LYS  92           HG3      LYS  92  -2.418  -7.860  -4.950
    7    HD2  LYS  92           HD2      LYS  92  -3.011  -9.312  -6.792
    8    HD3  LYS  92           HD3      LYS  92  -3.038 -10.213  -5.272
    9    HE2  LYS  92           HE2      LYS  92  -5.467  -9.998  -5.179
   10    HE3  LYS  92           HE3      LYS  92  -5.450  -9.084  -6.686
   11    HZ1  LYS  92           HZ1      LYS  92  -4.472 -11.876  -6.417
   12    HZ2  LYS  92           HZ2      LYS  92  -6.026 -11.460  -6.956
   13    HZ3  LYS  92           HZ3      LYS  92  -4.666 -10.997  -7.857

  No H/Q in entry =          13
  In of MODEL   11
    1    H    ILE  93           H        ILE  93  -1.000  -9.993  -3.607
    2    HA   ILE  93           HA       ILE  93   0.314  -7.833  -2.105
    3    HB   ILE  93           HB       ILE  93   1.456 -10.501  -2.926
    4   HG12  ILE  93          HG12      ILE  93   1.952 -10.574  -0.398
    5   HG13  ILE  93          HG13      ILE  93   0.785  -9.272  -0.261
    6   HG21  ILE  93          HG21      ILE  93   3.106  -8.754  -3.282
    7   HG22  ILE  93          HG22      ILE  93   2.854  -8.169  -1.634
    8   HG23  ILE  93          HG23      ILE  93   3.553  -9.765  -1.904
    9   HD11  ILE  93          HD11      ILE  93   0.242 -12.011  -1.372
   10   HD12  ILE  93          HD12      ILE  93  -0.199 -11.432   0.235
   11   HD13  ILE  93          HD13      ILE  93  -0.933 -10.708  -1.195

  No H/Q in entry =          11
  In of MODEL   11
    1    H    VAL  94           H        VAL  94   1.315  -6.361  -3.236
    2    HA   VAL  94           HA       VAL  94   2.242  -7.007  -5.945
    3    HB   VAL  94           HB       VAL  94   0.994  -4.394  -5.056
    4   HG11  VAL  94          HG11      VAL  94   2.901  -4.000  -6.537
    5   HG12  VAL  94          HG12      VAL  94   2.220  -5.120  -7.716
    6   HG13  VAL  94          HG13      VAL  94   1.378  -3.617  -7.341
    7   HG21  VAL  94          HG21      VAL  94  -0.628  -6.158  -5.554
    8   HG22  VAL  94          HG22      VAL  94  -0.687  -4.874  -6.760
    9   HG23  VAL  94          HG23      VAL  94   0.115  -6.399  -7.134

  No H/Q in entry =           9
  In of MODEL   11
    1    H    LYS  95           H        LYS  95   4.296  -6.569  -6.260
    2    HA   LYS  95           HA       LYS  95   5.854  -5.676  -3.983
    3    HB2  LYS  95           HB2      LYS  95   6.593  -6.750  -6.676
    4    HB3  LYS  95           HB3      LYS  95   7.790  -6.059  -5.591
    5    HG2  LYS  95           HG2      LYS  95   7.110  -7.729  -3.881
    6    HG3  LYS  95           HG3      LYS  95   6.089  -8.488  -5.110
    7    HD2  LYS  95           HD2      LYS  95   7.938  -9.017  -6.468
    8    HD3  LYS  95           HD3      LYS  95   9.010  -7.964  -5.550
    9    HE2  LYS  95           HE2      LYS  95   9.501 -10.234  -4.976
   10    HE3  LYS  95           HE3      LYS  95   8.718  -9.465  -3.595
   11    HZ1  LYS  95           HZ1      LYS  95   6.624 -10.522  -4.272
   12    HZ2  LYS  95           HZ2      LYS  95   7.413 -11.274  -5.568
   13    HZ3  LYS  95           HZ3      LYS  95   7.830 -11.674  -3.974

  No H/Q in entry =          13
  In of MODEL   11
    1    H    TRP  96           H        TRP  96   7.117  -3.846  -3.884
    2    HA   TRP  96           HA       TRP  96   6.365  -1.698  -5.675
    3    HB2  TRP  96           HB2      TRP  96   6.556  -1.216  -3.256
    4    HB3  TRP  96           HB3      TRP  96   8.233  -1.755  -3.267
    5    HD1  TRP  96           HD1      TRP  96   6.072   1.036  -4.908
    6    HE1  TRP  96           HE1      TRP  96   7.626   3.067  -5.309
    7    HE3  TRP  96           HE3      TRP  96  10.495  -0.958  -3.294
    8    HZ2  TRP  96           HZ2      TRP  96  10.336   3.716  -5.011
    9    HZ3  TRP  96           HZ3      TRP  96  12.519   0.429  -3.363
   10    HH2  TRP  96           HH2      TRP  96  12.432   2.741  -4.197

  No H/Q in entry =          10
  In of MODEL   11
    1    H    ASP  97           H        ASP  97   7.725  -0.812  -7.183
    2    HA   ASP  97           HA       ASP  97  10.514  -1.612  -7.174
    3    HB2  ASP  97           HB2      ASP  97   8.976  -3.193  -8.706
    4    HB3  ASP  97           HB3      ASP  97   9.323  -1.899  -9.856

  No H/Q in entry =           4
  In of MODEL   11
    1    H    ARG  98           H        ARG  98  11.754  -0.549  -8.812
    2    HA   ARG  98           HA       ARG  98  10.730   2.159  -9.345
    3    HB2  ARG  98           HB2      ARG  98  13.195   2.801  -9.163
    4    HB3  ARG  98           HB3      ARG  98  12.373   2.419  -7.672
    5    HG2  ARG  98           HG2      ARG  98  13.964   0.319  -9.133
    6    HG3  ARG  98           HG3      ARG  98  14.775   1.491  -8.117
    7    HD2  ARG  98           HD2      ARG  98  14.420   0.137  -6.359
    8    HD3  ARG  98           HD3      ARG  98  12.682   0.429  -6.557
    9    HE   ARG  98           HE       ARG  98  13.481  -1.592  -8.341
   10   HH11  ARG  98          HH11      ARG  98  13.037  -1.050  -4.906
   11   HH12  ARG  98          HH12      ARG  98  12.612  -2.704  -4.568
   12   HH21  ARG  98          HH21      ARG  98  12.945  -3.779  -7.868
   13   HH22  ARG  98          HH22      ARG  98  12.581  -4.241  -6.227

  No H/Q in entry =          13
  In of MODEL   11
    1    H    ASP  99           H        ASP  99  12.532  -0.645 -10.487
    2    HA   ASP  99           HA       ASP  99  12.913   0.718 -13.083
    3    HB2  ASP  99           HB2      ASP  99  14.614  -1.430 -11.795
    4    HB3  ASP  99           HB3      ASP  99  14.859  -0.789 -13.415

  No H/Q in entry =           4
  In of MODEL   11
    1    H    MET 100           H        MET 100  11.555  -1.898 -11.392
    2    HA   MET 100           HA       MET 100  11.268  -3.451 -13.901
    3    HB2  MET 100           HB2      MET 100  10.925  -4.667 -11.180
    4    HB3  MET 100           HB3      MET 100  11.443  -5.423 -12.683
    5    HG2  MET 100           HG2      MET 100  13.100  -3.405 -11.192
    6    HG3  MET 100           HG3      MET 100  13.214  -5.151 -10.921
    7    HE1  MET 100           HE1      MET 100  14.031  -6.878 -12.730
    8    HE2  MET 100           HE2      MET 100  12.794  -6.304 -13.849
    9    HE3  MET 100           HE3      MET 100  14.468  -6.445 -14.383

  No H/Q in entry =           9
  In of MODEL   12
    1    HA   ILE   2           HA       ILE   2 -21.666  -6.606  -6.165
    2    HB   ILE   2           HB       ILE   2 -22.159  -6.757  -3.720
    3   HG12  ILE   2          HG12      ILE   2 -21.155  -9.608  -3.983
    4   HG13  ILE   2          HG13      ILE   2 -20.362  -8.330  -3.066
    5   HG21  ILE   2          HG21      ILE   2 -23.231  -9.017  -5.402
    6   HG22  ILE   2          HG22      ILE   2 -23.957  -8.430  -3.904
    7   HG23  ILE   2          HG23      ILE   2 -23.865  -7.372  -5.313
    8   HD11  ILE   2          HD11      ILE   2 -22.303  -8.207  -1.581
    9   HD12  ILE   2          HD12      ILE   2 -23.069  -9.511  -2.491
   10   HD13  ILE   2          HD13      ILE   2 -21.576  -9.815  -1.602

  No H/Q in entry =          10
  In of MODEL   12
    1    H    GLN   3           H        GLN   3 -20.926  -5.105  -4.282
    2    HA   GLN   3           HA       GLN   3 -19.301  -3.970  -3.135
    3    HB2  GLN   3           HB2      GLN   3 -18.911  -6.370  -2.252
    4    HB3  GLN   3           HB3      GLN   3 -17.559  -6.445  -3.363
    5    HG2  GLN   3           HG2      GLN   3 -16.689  -5.883  -1.234
    6    HG3  GLN   3           HG3      GLN   3 -16.634  -4.412  -2.204
    7   HE21  GLN   3          HE21      GLN   3 -16.751  -4.906   0.722
    8   HE22  GLN   3          HE22      GLN   3 -18.100  -3.989   1.284

  No H/Q in entry =           8
  In of MODEL   12
    1    H    ARG   4           H        ARG   4 -16.319  -4.858  -3.858
    2    HA   ARG   4           HA       ARG   4 -16.030  -4.246  -6.600
    3    HB2  ARG   4           HB2      ARG   4 -14.622  -2.075  -5.133
    4    HB3  ARG   4           HB3      ARG   4 -15.180  -2.120  -6.781
    5    HG2  ARG   4           HG2      ARG   4 -17.516  -1.955  -5.290
    6    HG3  ARG   4           HG3      ARG   4 -16.380  -0.887  -4.430
    7    HD2  ARG   4           HD2      ARG   4 -17.297  -0.726  -7.305
    8    HD3  ARG   4           HD3      ARG   4 -17.508   0.462  -6.016
    9    HE   ARG   4           HE       ARG   4 -14.817  -0.208  -7.032
   10   HH11  ARG   4          HH11      ARG   4 -17.374   2.123  -6.443
   11   HH12  ARG   4          HH12      ARG   4 -16.396   3.496  -6.861
   12   HH21  ARG   4          HH21      ARG   4 -13.519   1.606  -7.593
   13   HH22  ARG   4          HH22      ARG   4 -14.209   3.206  -7.518

  No H/Q in entry =          13
  In of MODEL   12
    1    H    THR   5           H        THR   5 -13.973  -4.865  -7.219
    2    HA   THR   5           HA       THR   5 -12.446  -6.120  -5.121
    3    HB   THR   5           HB       THR   5 -11.003  -7.000  -6.864
    4    HG1  THR   5           HG1      THR   5 -11.195  -4.973  -8.175
    5   HG21  THR   5          HG21      THR   5 -13.949  -7.134  -7.439
    6   HG22  THR   5          HG22      THR   5 -12.772  -8.052  -8.375
    7   HG23  THR   5          HG23      THR   5 -12.919  -8.326  -6.644

  No H/Q in entry =           7
  In of MODEL   12
    1    HA   PRO   6           HA       PRO   6 -10.317  -2.223  -4.630
    2    HB2  PRO   6           HB2      PRO   6  -8.709  -3.545  -2.585
    3    HB3  PRO   6           HB3      PRO   6  -9.851  -2.210  -2.414
    4    HG2  PRO   6           HG2      PRO   6 -10.304  -4.741  -1.472
    5    HG3  PRO   6           HG3      PRO   6 -11.596  -3.594  -1.898
    6    HD2  PRO   6           HD2      PRO   6 -10.574  -5.964  -3.403
    7    HD3  PRO   6           HD3      PRO   6 -12.209  -5.254  -3.352

  No H/Q in entry =           7
  In of MODEL   12
    1    H    LYS   7           H        LYS   7  -8.608  -1.619  -5.849
    2    HA   LYS   7           HA       LYS   7  -6.904  -3.788  -6.835
    3    HB2  LYS   7           HB2      LYS   7  -8.240  -2.360  -8.443
    4    HB3  LYS   7           HB3      LYS   7  -7.227  -1.000  -7.979
    5    HG2  LYS   7           HG2      LYS   7  -5.253  -2.234  -8.780
    6    HG3  LYS   7           HG3      LYS   7  -6.317  -3.539  -9.313
    7    HD2  LYS   7           HD2      LYS   7  -7.495  -1.918 -10.772
    8    HD3  LYS   7           HD3      LYS   7  -6.325  -0.687 -10.298
    9    HE2  LYS   7           HE2      LYS   7  -5.670  -1.607 -12.418
   10    HE3  LYS   7           HE3      LYS   7  -4.517  -2.127 -11.190
   11    HZ1  LYS   7           HZ1      LYS   7  -6.777  -3.769 -12.203
   12    HZ2  LYS   7           HZ2      LYS   7  -5.163  -3.923 -12.707
   13    HZ3  LYS   7           HZ3      LYS   7  -5.588  -4.271 -11.101

  No H/Q in entry =          13
  In of MODEL   12
    1    H    ILE   8           H        ILE   8  -4.636  -3.509  -7.000
    2    HA   ILE   8           HA       ILE   8  -3.667  -2.018  -4.683
    3    HB   ILE   8           HB       ILE   8  -1.965  -3.903  -6.270
    4   HG12  ILE   8          HG12      ILE   8  -3.995  -5.170  -5.925
    5   HG13  ILE   8          HG13      ILE   8  -2.766  -5.754  -4.818
    6   HG21  ILE   8          HG21      ILE   8  -0.925  -2.598  -4.500
    7   HG22  ILE   8          HG22      ILE   8  -2.113  -3.195  -3.342
    8   HG23  ILE   8          HG23      ILE   8  -0.954  -4.308  -4.070
    9   HD11  ILE   8          HD11      ILE   8  -3.786  -4.472  -3.013
   10   HD12  ILE   8          HD12      ILE   8  -5.024  -3.899  -4.130
   11   HD13  ILE   8          HD13      ILE   8  -4.920  -5.615  -3.735

  No H/Q in entry =          11
  In of MODEL   12
    1    H    GLN   9           H        GLN   9  -2.719  -0.152  -4.961
    2    HA   GLN   9           HA       GLN   9  -0.859   0.089  -7.223
    3    HB2  GLN   9           HB2      GLN   9  -1.805   2.715  -6.308
    4    HB3  GLN   9           HB3      GLN   9  -1.780   2.128  -7.974
    5    HG2  GLN   9           HG2      GLN   9  -3.880   1.157  -7.814
    6    HG3  GLN   9           HG3      GLN   9  -3.905   1.228  -6.057
    7   HE21  GLN   9          HE21      GLN   9  -2.804   3.867  -8.063
    8   HE22  GLN   9          HE22      GLN   9  -4.123   4.939  -7.719

  No H/Q in entry =           8
  In of MODEL   12
    1    H    VAL  10           H        VAL  10   1.089   0.180  -6.415
    2    HA   VAL  10           HA       VAL  10   1.571   1.648  -3.929
    3    HB   VAL  10           HB       VAL  10   1.796  -0.528  -3.107
    4   HG11  VAL  10          HG11      VAL  10   1.595  -1.639  -5.309
    5   HG12  VAL  10          HG12      VAL  10   3.323  -1.384  -5.555
    6   HG13  VAL  10          HG13      VAL  10   2.758  -2.399  -4.221
    7   HG21  VAL  10          HG21      VAL  10   4.545   0.291  -4.037
    8   HG22  VAL  10          HG22      VAL  10   3.766   0.706  -2.510
    9   HG23  VAL  10          HG23      VAL  10   4.228  -0.965  -2.842

  No H/Q in entry =           9
  In of MODEL   12
    1    H    TYR  11           H        TYR  11   3.031   3.123  -4.048
    2    HA   TYR  11           HA       TYR  11   5.010   3.099  -6.208
    3    HB2  TYR  11           HB2      TYR  11   3.403   5.620  -5.660
    4    HB3  TYR  11           HB3      TYR  11   4.488   5.296  -6.998
    5    HD1  TYR  11           HD1      TYR  11   3.726   3.375  -8.629
    6    HD2  TYR  11           HD2      TYR  11   1.115   5.464  -5.998
    7    HE1  TYR  11           HE1      TYR  11   1.811   2.787 -10.058
    8    HE2  TYR  11           HE2      TYR  11  -0.791   4.902  -7.422
    9    HH   TYR  11           HH       TYR  11  -0.623   2.541  -9.863

  No H/Q in entry =           9
  In of MODEL   12
    1    H    SER  12           H        SER  12   6.746   4.716  -5.761
    2    HA   SER  12           HA       SER  12   7.033   5.201  -2.918
    3    HB2  SER  12           HB2      SER  12   8.949   4.355  -4.257
    4    HB3  SER  12           HB3      SER  12   8.898   5.824  -5.226
    5    HG   SER  12           HG       SER  12   9.935   6.831  -3.727

  No H/Q in entry =           5
  In of MODEL   12
    1    H    ARG  13           H        ARG  13   6.963   7.249  -1.978
    2    HA   ARG  13           HA       ARG  13   5.313   9.188  -3.185
    3    HB2  ARG  13           HB2      ARG  13   6.101   8.837  -0.692
    4    HB3  ARG  13           HB3      ARG  13   7.377   9.956  -1.131
    5    HG2  ARG  13           HG2      ARG  13   4.419  10.466  -1.014
    6    HG3  ARG  13           HG3      ARG  13   5.687  11.215  -0.062
    7    HD2  ARG  13           HD2      ARG  13   5.569  12.894  -1.540
    8    HD3  ARG  13           HD3      ARG  13   6.388  11.803  -2.646
    9    HE   ARG  13           HE       ARG  13   4.166  11.143  -3.464
   10   HH11  ARG  13          HH11      ARG  13   4.552  14.208  -1.825
   11   HH12  ARG  13          HH12      ARG  13   3.125  14.911  -2.517
   12   HH21  ARG  13          HH21      ARG  13   2.289  12.057  -4.397
   13   HH22  ARG  13          HH22      ARG  13   1.842  13.687  -3.984

  No H/Q in entry =          13
  In of MODEL   12
    1    H    HIS  14           H        HIS  14   8.809   9.073  -2.853
    2    HA   HIS  14           HA       HIS  14   9.041  10.937  -5.094
    3    HB2  HIS  14           HB2      HIS  14  10.465  11.059  -2.444
    4    HB3  HIS  14           HB3      HIS  14  11.229  11.732  -3.879
    5    HD2  HIS  14           HD2      HIS  14   7.871  12.736  -4.675
    6    HE1  HIS  14           HE1      HIS  14   9.014  15.537  -1.714
    7    HE2  HIS  14           HE2      HIS  14   7.476  15.097  -3.680

  No H/Q in entry =           7
  In of MODEL   12
    1    HA   PRO  15           HA       PRO  15  11.927   8.297  -7.161
    2    HB2  PRO  15           HB2      PRO  15  14.503   9.348  -6.682
    3    HB3  PRO  15           HB3      PRO  15  13.453   9.686  -8.071
    4    HG2  PRO  15           HG2      PRO  15  13.894  11.311  -5.579
    5    HG3  PRO  15           HG3      PRO  15  13.524  11.851  -7.251
    6    HD2  PRO  15           HD2      PRO  15  11.653  11.878  -5.310
    7    HD3  PRO  15           HD3      PRO  15  11.238  11.464  -7.001

  No H/Q in entry =           7
  In of MODEL   12
    1    H    ALA  16           H        ALA  16  13.118   6.471  -6.872
    2    HA   ALA  16           HA       ALA  16  13.463   5.580  -4.152
    3    HB1  ALA  16           HB1      ALA  16  12.534   4.095  -5.885
    4    HB2  ALA  16           HB2      ALA  16  14.071   4.163  -6.748
    5    HB3  ALA  16           HB3      ALA  16  13.990   3.424  -5.149

  No H/Q in entry =           5
  In of MODEL   12
    1    H    GLU  17           H        GLU  17  15.261   6.176  -3.078
    2    HA   GLU  17           HA       GLU  17  17.796   6.065  -4.548
    3    HB2  GLU  17           HB2      GLU  17  16.831   8.277  -3.404
    4    HB3  GLU  17           HB3      GLU  17  17.584   7.565  -1.988
    5    HG2  GLU  17           HG2      GLU  17  19.055   8.044  -4.550
    6    HG3  GLU  17           HG3      GLU  17  18.963   9.242  -3.282

  No H/Q in entry =           6
  In of MODEL   12
    1    H    ASN  18           H        ASN  18  19.031   4.519  -4.051
    2    HA   ASN  18           HA       ASN  18  18.469   2.807  -1.786
    3    HB2  ASN  18           HB2      ASN  18  18.940   1.513  -3.600
    4    HB3  ASN  18           HB3      ASN  18  20.158   2.616  -4.239
    5   HD21  ASN  18          HD21      ASN  18  21.571   0.949  -4.639
    6   HD22  ASN  18          HD22      ASN  18  22.407   0.093  -3.383

  No H/Q in entry =           6
  In of MODEL   12
    1    H    GLY  19           H        GLY  19  19.329   2.903   0.113
    2    HA2  GLY  19           HA2      GLY  19  21.929   4.179   0.527
    3    HA3  GLY  19           HA3      GLY  19  20.978   3.308   1.739

  No H/Q in entry =           3
  In of MODEL   12
    1    H    LYS  20           H        LYS  20  18.621   4.921   0.555
    2    HA   LYS  20           HA       LYS  20  19.143   7.451   1.986
    3    HB2  LYS  20           HB2      LYS  20  19.082   7.582  -0.547
    4    HB3  LYS  20           HB3      LYS  20  17.404   7.077  -0.448
    5    HG2  LYS  20           HG2      LYS  20  17.184   9.345  -0.619
    6    HG3  LYS  20           HG3      LYS  20  17.126   9.112   1.126
    7    HD2  LYS  20           HD2      LYS  20  19.677   9.539   1.024
    8    HD3  LYS  20           HD3      LYS  20  19.355  10.214  -0.563
    9    HE2  LYS  20           HE2      LYS  20  18.163  11.153   2.054
   10    HE3  LYS  20           HE3      LYS  20  19.353  11.999   1.065
   11    HZ1  LYS  20           HZ1      LYS  20  17.698  12.136  -0.713
   12    HZ2  LYS  20           HZ2      LYS  20  16.552  11.379   0.276
   13    HZ3  LYS  20           HZ3      LYS  20  17.160  12.903   0.699

  No H/Q in entry =          13
  In of MODEL   12
    1    H    SER  21           H        SER  21  17.527   8.179   3.308
    2    HA   SER  21           HA       SER  21  15.324   6.459   3.905
    3    HB2  SER  21           HB2      SER  21  15.974   9.277   4.765
    4    HB3  SER  21           HB3      SER  21  14.677   8.295   5.446
    5    HG   SER  21           HG       SER  21  16.776   6.780   5.593

  No H/Q in entry =           5
  In of MODEL   12
    1    H    ASN  22           H        ASN  22  13.256   6.655   3.255
    2    HA   ASN  22           HA       ASN  22  12.431   8.857   1.520
    3    HB2  ASN  22           HB2      ASN  22  13.688   6.839   0.263
    4    HB3  ASN  22           HB3      ASN  22  12.087   6.107   0.383
    5   HD21  ASN  22          HD21      ASN  22  11.532   6.170  -1.749
    6   HD22  ASN  22          HD22      ASN  22  11.372   7.625  -2.660

  No H/Q in entry =           6
  In of MODEL   12
    1    H    PHE  23           H        PHE  23  10.062   8.099   0.580
    2    HA   PHE  23           HA       PHE  23   8.657   7.010   2.928
    3    HB2  PHE  23           HB2      PHE  23   7.940   9.390   1.210
    4    HB3  PHE  23           HB3      PHE  23   6.790   8.611   2.285
    5    HD1  PHE  23           HD1      PHE  23   6.562   9.401   4.426
    6    HD2  PHE  23           HD2      PHE  23  10.167  10.201   2.313
    7    HE1  PHE  23           HE1      PHE  23   7.312  10.854   6.264
    8    HE2  PHE  23           HE2      PHE  23  10.930  11.647   4.153
    9    HZ   PHE  23           HZ       PHE  23   9.501  11.971   6.133

  No H/Q in entry =           9
  In of MODEL   12
    1    H    LEU  24           H        LEU  24   7.510   5.257   2.451
    2    HA   LEU  24           HA       LEU  24   7.025   4.495  -0.303
    3    HB2  LEU  24           HB2      LEU  24   7.367   3.156   2.088
    4    HB3  LEU  24           HB3      LEU  24   5.659   2.942   1.761
    5    HG   LEU  24           HG       LEU  24   7.967   2.081  -0.024
    6   HD11  LEU  24          HD11      LEU  24   5.957   0.498   1.579
    7   HD12  LEU  24          HD12      LEU  24   7.174  -0.180   0.496
    8   HD13  LEU  24          HD13      LEU  24   7.670   0.689   1.950
    9   HD21  LEU  24          HD21      LEU  24   4.983   1.820  -0.452
   10   HD22  LEU  24          HD22      LEU  24   6.128   2.713  -1.454
   11   HD23  LEU  24          HD23      LEU  24   6.211   0.955  -1.374

  No H/Q in entry =          11
  In of MODEL   12
    1    H    ASN  25           H        ASN  25   4.863   3.956  -1.071
    2    HA   ASN  25           HA       ASN  25   2.668   5.181   0.401
    3    HB2  ASN  25           HB2      ASN  25   3.348   6.975  -1.047
    4    HB3  ASN  25           HB3      ASN  25   3.466   5.895  -2.433
    5   HD21  ASN  25          HD21      ASN  25   1.367   7.684  -0.346
    6   HD22  ASN  25          HD22      ASN  25  -0.057   7.532  -1.320

  No H/Q in entry =           6
  In of MODEL   12
    1    H    CYS  26           H        CYS  26   0.993   3.843   0.448
    2    HA   CYS  26           HA       CYS  26   0.608   1.960  -1.772
    3    HB2  CYS  26           HB2      CYS  26   1.604   0.994   0.436
    4    HB3  CYS  26           HB3      CYS  26  -0.043   1.176   1.053

  No H/Q in entry =           4
  In of MODEL   12
    1    H    TYR  27           H        TYR  27  -1.291   2.180  -2.650
    2    HA   TYR  27           HA       TYR  27  -3.422   3.589  -1.176
    3    HB2  TYR  27           HB2      TYR  27  -2.155   4.215  -3.758
    4    HB3  TYR  27           HB3      TYR  27  -3.907   4.144  -3.832
    5    HD1  TYR  27           HD1      TYR  27  -5.213   5.642  -2.145
    6    HD2  TYR  27           HD2      TYR  27  -1.082   6.151  -3.038
    7    HE1  TYR  27           HE1      TYR  27  -5.353   7.982  -1.428
    8    HE2  TYR  27           HE2      TYR  27  -1.209   8.487  -2.289
    9    HH   TYR  27           HH       TYR  27  -3.813   9.711  -0.523

  No H/Q in entry =           9
  In of MODEL   12
    1    H    VAL  28           H        VAL  28  -4.959   2.100  -0.839
    2    HA   VAL  28           HA       VAL  28  -5.584   0.312  -3.095
    3    HB   VAL  28           HB       VAL  28  -6.469  -0.243  -0.280
    4   HG11  VAL  28          HG11      VAL  28  -5.924  -1.973  -2.682
    5   HG12  VAL  28          HG12      VAL  28  -6.447  -2.563  -1.103
    6   HG13  VAL  28          HG13      VAL  28  -7.507  -1.521  -2.050
    7   HG21  VAL  28          HG21      VAL  28  -3.803  -0.930  -1.498
    8   HG22  VAL  28          HG22      VAL  28  -4.105  -0.014  -0.020
    9   HG23  VAL  28          HG23      VAL  28  -4.471  -1.741  -0.080

  No H/Q in entry =           9
  In of MODEL   12
    1    H    SER  29           H        SER  29  -7.414   0.778  -4.141
    2    HA   SER  29           HA       SER  29  -9.572   2.121  -2.674
    3    HB2  SER  29           HB2      SER  29  -9.913   3.549  -4.747
    4    HB3  SER  29           HB3      SER  29  -8.477   3.916  -3.789
    5    HG   SER  29           HG       SER  29  -7.205   2.983  -5.309

  No H/Q in entry =           5
  In of MODEL   12
    1    H    GLY  30           H        GLY  30 -11.663   2.088  -3.877
    2    HA2  GLY  30           HA2      GLY  30 -11.972  -0.008  -5.860
    3    HA3  GLY  30           HA3      GLY  30 -13.231   1.075  -5.274

  No H/Q in entry =           3
  In of MODEL   12
    1    H    PHE  31           H        PHE  31 -14.605   0.254  -3.605
    2    HA   PHE  31           HA       PHE  31 -14.602  -2.092  -2.556
    3    HB2  PHE  31           HB2      PHE  31 -13.280  -2.346  -0.610
    4    HB3  PHE  31           HB3      PHE  31 -12.232  -1.950  -1.975
    5    HD1  PHE  31           HD1      PHE  31 -13.800  -0.547   1.078
    6    HD2  PHE  31           HD2      PHE  31 -10.750  -0.188  -1.855
    7    HE1  PHE  31           HE1      PHE  31 -12.668   1.108   2.477
    8    HE2  PHE  31           HE2      PHE  31  -9.602   1.476  -0.473
    9    HZ   PHE  31           HZ       PHE  31 -10.515   2.102   1.730

  No H/Q in entry =           9
  In of MODEL   12
    1    H    HIS  32           H        HIS  32 -15.254  -2.253  -0.105
    2    HA   HIS  32           HA       HIS  32 -16.451   0.057   1.114
    3    HB2  HIS  32           HB2      HIS  32 -18.334  -2.206   0.274
    4    HB3  HIS  32           HB3      HIS  32 -18.749  -0.817   1.260
    5    HD2  HIS  32           HD2      HIS  32 -18.377  -1.813  -2.448
    6    HE1  HIS  32           HE1      HIS  32 -19.670   2.211  -2.241
    7    HE2  HIS  32           HE2      HIS  32 -19.518   0.148  -3.710

  No H/Q in entry =           7
  In of MODEL   12
    1    HA   PRO  33           HA       PRO  33 -18.790  -0.673   2.839
    2    HB2  PRO  33           HB2      PRO  33 -17.991  -0.368   5.667
    3    HB3  PRO  33           HB3      PRO  33 -19.543  -0.855   4.981
    4    HG2  PRO  33           HG2      PRO  33 -17.945  -2.623   6.190
    5    HG3  PRO  33           HG3      PRO  33 -18.908  -3.065   4.770
    6    HD2  PRO  33           HD2      PRO  33 -15.991  -2.432   4.958
    7    HD3  PRO  33           HD3      PRO  33 -16.818  -3.685   3.997

  No H/Q in entry =           7
  In of MODEL   12
    1    H    SER  34           H        SER  34 -16.158   0.310   5.086
    2    HA   SER  34           HA       SER  34 -15.818   2.772   3.568
    3    HB2  SER  34           HB2      SER  34 -16.009   4.127   5.649
    4    HB3  SER  34           HB3      SER  34 -17.528   3.348   5.209
    5    HG   SER  34           HG       SER  34 -16.019   1.761   6.828

  No H/Q in entry =           5
  In of MODEL   12
    1    H    ASP  35           H        ASP  35 -14.229   0.419   3.966
    2    HA   ASP  35           HA       ASP  35 -11.772   1.473   4.757
    3    HB2  ASP  35           HB2      ASP  35 -11.393   0.246   6.946
    4    HB3  ASP  35           HB3      ASP  35 -12.569   1.550   7.031

  No H/Q in entry =           4
  In of MODEL   12
    1    H    ILE  36           H        ILE  36 -10.023   0.069   4.606
    2    HA   ILE  36           HA       ILE  36 -10.522  -2.769   3.980
    3    HB   ILE  36           HB       ILE  36 -10.226  -1.321   1.825
    4   HG12  ILE  36          HG12      ILE  36  -8.809  -3.814   2.609
    5   HG13  ILE  36          HG13      ILE  36 -10.139  -3.612   1.485
    6   HG21  ILE  36          HG21      ILE  36  -7.376  -1.430   2.821
    7   HG22  ILE  36          HG22      ILE  36  -7.873  -0.916   1.210
    8   HG23  ILE  36          HG23      ILE  36  -8.335   0.033   2.622
    9   HD11  ILE  36          HD11      ILE  36  -7.288  -2.800   0.953
   10   HD12  ILE  36          HD12      ILE  36  -8.033  -4.297   0.398
   11   HD13  ILE  36          HD13      ILE  36  -8.630  -2.746  -0.192

  No H/Q in entry =          11
  In of MODEL   12
    1    H    GLU  37           H        GLU  37  -8.562  -4.113   4.468
    2    HA   GLU  37           HA       GLU  37  -6.666  -2.630   6.130
    3    HB2  GLU  37           HB2      GLU  37  -8.071  -4.549   7.116
    4    HB3  GLU  37           HB3      GLU  37  -7.092  -5.608   6.113
    5    HG2  GLU  37           HG2      GLU  37  -6.285  -5.471   8.443
    6    HG3  GLU  37           HG3      GLU  37  -5.082  -4.935   7.272

  No H/Q in entry =           6
  In of MODEL   12
    1    H    VAL  38           H        VAL  38  -4.717  -2.399   5.351
    2    HA   VAL  38           HA       VAL  38  -3.669  -4.356   3.460
    3    HB   VAL  38           HB       VAL  38  -3.877  -2.978   1.731
    4   HG11  VAL  38          HG11      VAL  38  -4.471  -0.768   3.674
    5   HG12  VAL  38          HG12      VAL  38  -4.623  -0.642   1.920
    6   HG13  VAL  38          HG13      VAL  38  -5.628  -1.783   2.812
    7   HG21  VAL  38          HG21      VAL  38  -1.919  -1.178   3.166
    8   HG22  VAL  38          HG22      VAL  38  -1.510  -2.524   2.106
    9   HG23  VAL  38          HG23      VAL  38  -2.315  -1.095   1.445

  No H/Q in entry =           9
  In of MODEL   12
    1    H    ASP  39           H        ASP  39  -1.520  -4.675   3.553
    2    HA   ASP  39           HA       ASP  39  -0.061  -3.291   5.698
    3    HB2  ASP  39           HB2      ASP  39   0.015  -5.115   7.009
    4    HB3  ASP  39           HB3      ASP  39  -1.136  -5.869   5.913

  No H/Q in entry =           4
  In of MODEL   12
    1    H    LEU  40           H        LEU  40   2.198  -3.325   5.507
    2    HA   LEU  40           HA       LEU  40   3.062  -3.681   2.730
    3    HB2  LEU  40           HB2      LEU  40   4.516  -2.107   4.846
    4    HB3  LEU  40           HB3      LEU  40   4.749  -2.052   3.111
    5    HG   LEU  40           HG       LEU  40   2.357  -1.001   4.612
    6   HD11  LEU  40          HD11      LEU  40   4.359   0.369   4.880
    7   HD12  LEU  40          HD12      LEU  40   4.563   0.426   3.130
    8   HD13  LEU  40          HD13      LEU  40   3.161   1.194   3.879
    9   HD21  LEU  40          HD21      LEU  40   2.951  -1.009   1.664
   10   HD22  LEU  40          HD22      LEU  40   1.614  -1.819   2.482
   11   HD23  LEU  40          HD23      LEU  40   1.679  -0.054   2.434

  No H/Q in entry =          11
  In of MODEL   12
    1    H    LEU  41           H        LEU  41   4.824  -4.867   2.219
    2    HA   LEU  41           HA       LEU  41   5.800  -6.642   4.350
    3    HB2  LEU  41           HB2      LEU  41   5.791  -7.368   1.463
    4    HB3  LEU  41           HB3      LEU  41   5.923  -8.406   2.845
    5    HG   LEU  41           HG       LEU  41   3.406  -6.941   2.095
    6   HD11  LEU  41          HD11      LEU  41   4.058  -8.558   0.385
    7   HD12  LEU  41          HD12      LEU  41   4.210  -9.809   1.619
    8   HD13  LEU  41          HD13      LEU  41   2.634  -9.106   1.267
    9   HD21  LEU  41          HD21      LEU  41   3.942  -9.165   4.064
   10   HD22  LEU  41          HD22      LEU  41   3.570  -7.489   4.468
   11   HD23  LEU  41          HD23      LEU  41   2.359  -8.495   3.672

  No H/Q in entry =          11
  In of MODEL   12
    1    H    LYS  42           H        LYS  42   7.676  -7.901   3.437
    2    HA   LYS  42           HA       LYS  42   9.687  -6.379   2.048
    3    HB2  LYS  42           HB2      LYS  42   9.977  -7.016   4.962
    4    HB3  LYS  42           HB3      LYS  42  11.387  -6.892   3.918
    5    HG2  LYS  42           HG2      LYS  42  10.998  -4.615   3.493
    6    HG3  LYS  42           HG3      LYS  42   9.351  -4.688   4.133
    7    HD2  LYS  42           HD2      LYS  42  10.260  -5.134   6.380
    8    HD3  LYS  42           HD3      LYS  42  11.899  -5.108   5.722
    9    HE2  LYS  42           HE2      LYS  42  11.592  -2.754   5.103
   10    HE3  LYS  42           HE3      LYS  42   9.965  -2.793   5.786
   11    HZ1  LYS  42           HZ1      LYS  42  10.943  -3.321   7.949
   12    HZ2  LYS  42           HZ2      LYS  42  12.498  -3.239   7.277
   13    HZ3  LYS  42           HZ3      LYS  42  11.532  -1.847   7.354

  No H/Q in entry =          13
  In of MODEL   12
    1    H    ASN  43           H        ASN  43   9.946  -7.892   0.572
    2    HA   ASN  43           HA       ASN  43  10.349  -9.830  -0.482
    3    HB2  ASN  43           HB2      ASN  43  11.863 -10.329   2.049
    4    HB3  ASN  43           HB3      ASN  43  11.749 -11.580   0.821
    5   HD21  ASN  43          HD21      ASN  43  13.059  -8.488   1.660
    6   HD22  ASN  43          HD22      ASN  43  14.150  -8.365   0.328

  No H/Q in entry =           6
  In of MODEL   12
    1    H    GLY  44           H        GLY  44   8.520  -9.857   2.356
    2    HA2  GLY  44           HA2      GLY  44   7.561 -12.578   1.958
    3    HA3  GLY  44           HA3      GLY  44   6.437 -11.276   1.558

  No H/Q in entry =           3
  In of MODEL   12
    1    H    GLU  45           H        GLU  45   8.261 -10.099   4.017
    2    HA   GLU  45           HA       GLU  45   6.544 -11.276   6.069
    3    HB2  GLU  45           HB2      GLU  45   8.331 -10.894   7.603
    4    HB3  GLU  45           HB3      GLU  45   8.975 -11.616   6.142
    5    HG2  GLU  45           HG2      GLU  45  10.533 -10.075   6.515
    6    HG3  GLU  45           HG3      GLU  45   9.461  -9.194   5.448

  No H/Q in entry =           6
  In of MODEL   12
    1    H    ARG  46           H        ARG  46   5.636  -9.966   7.665
    2    HA   ARG  46           HA       ARG  46   4.577  -7.552   6.650
    3    HB2  ARG  46           HB2      ARG  46   3.309  -9.138   8.082
    4    HB3  ARG  46           HB3      ARG  46   4.347  -8.713   9.427
    5    HG2  ARG  46           HG2      ARG  46   3.471  -6.538   9.515
    6    HG3  ARG  46           HG3      ARG  46   2.641  -6.746   7.960
    7    HD2  ARG  46           HD2      ARG  46   1.861  -7.775  10.630
    8    HD3  ARG  46           HD3      ARG  46   0.855  -7.256   9.280
    9    HE   ARG  46           HE       ARG  46   2.103  -9.899   9.561
   10   HH11  ARG  46          HH11      ARG  46  -0.246  -7.754   8.104
   11   HH12  ARG  46          HH12      ARG  46  -1.148  -9.031   7.354
   12   HH21  ARG  46          HH21      ARG  46   0.890 -11.599   8.598
   13   HH22  ARG  46          HH22      ARG  46  -0.514 -11.221   7.645

  No H/Q in entry =          13
  In of MODEL   12
    1    H    ILE  47           H        ILE  47   5.010  -5.491   7.029
    2    HA   ILE  47           HA       ILE  47   7.186  -4.739   8.823
    3    HB   ILE  47           HB       ILE  47   5.561  -3.037   6.914
    4   HG12  ILE  47          HG12      ILE  47   8.350  -4.130   6.572
    5   HG13  ILE  47          HG13      ILE  47   6.923  -4.800   5.786
    6   HG21  ILE  47          HG21      ILE  47   8.121  -2.453   8.398
    7   HG22  ILE  47          HG22      ILE  47   7.377  -1.403   7.193
    8   HG23  ILE  47          HG23      ILE  47   6.542  -1.734   8.711
    9   HD11  ILE  47          HD11      ILE  47   7.979  -2.004   5.415
   10   HD12  ILE  47          HD12      ILE  47   8.190  -3.348   4.291
   11   HD13  ILE  47          HD13      ILE  47   6.579  -2.703   4.605

  No H/Q in entry =          11
  In of MODEL   12
    1    H    GLU  48           H        GLU  48   6.877  -3.502  10.628
    2    HA   GLU  48           HA       GLU  48   4.091  -3.125  11.453
    3    HB2  GLU  48           HB2      GLU  48   5.289  -2.644  13.742
    4    HB3  GLU  48           HB3      GLU  48   4.974  -4.285  13.212
    5    HG2  GLU  48           HG2      GLU  48   7.588  -2.968  12.651
    6    HG3  GLU  48           HG3      GLU  48   7.251  -3.688  14.218

  No H/Q in entry =           6
  In of MODEL   12
    1    H    LYS  49           H        LYS  49   7.143  -1.355  11.075
    2    HA   LYS  49           HA       LYS  49   6.382   1.109  12.040
    3    HB2  LYS  49           HB2      LYS  49   8.151   0.508   9.674
    4    HB3  LYS  49           HB3      LYS  49   8.135   2.011  10.593
    5    HG2  LYS  49           HG2      LYS  49   8.523  -0.411  12.189
    6    HG3  LYS  49           HG3      LYS  49   9.812  -0.049  11.040
    7    HD2  LYS  49           HD2      LYS  49  10.172   2.091  12.019
    8    HD3  LYS  49           HD3      LYS  49   8.689   1.976  12.963
    9    HE2  LYS  49           HE2      LYS  49   9.692   0.105  14.242
   10    HE3  LYS  49           HE3      LYS  49  11.197   0.326  13.345
   11    HZ1  LYS  49           HZ1      LYS  49  11.338   2.577  14.215
   12    HZ2  LYS  49           HZ2      LYS  49   9.900   2.350  15.090
   13    HZ3  LYS  49           HZ3      LYS  49  11.279   1.442  15.477

  No H/Q in entry =          13
  In of MODEL   12
    1    H    VAL  50           H        VAL  50   4.692  -0.429   9.767
    2    HA   VAL  50           HA       VAL  50   4.094   1.677   7.942
    3    HB   VAL  50           HB       VAL  50   2.414  -0.721   8.665
    4   HG11  VAL  50          HG11      VAL  50   1.192   1.075   7.505
    5   HG12  VAL  50          HG12      VAL  50   2.386   1.027   6.202
    6   HG13  VAL  50          HG13      VAL  50   1.356  -0.374   6.502
    7   HG21  VAL  50          HG21      VAL  50   4.652  -1.365   7.943
    8   HG22  VAL  50          HG22      VAL  50   3.447  -1.793   6.736
    9   HG23  VAL  50          HG23      VAL  50   4.473  -0.386   6.488

  No H/Q in entry =           9
  In of MODEL   12
    1    H    GLU  51           H        GLU  51   2.665   3.282   8.092
    2    HA   GLU  51           HA       GLU  51   0.654   3.166  10.215
    3    HB2  GLU  51           HB2      GLU  51   2.328   5.604   9.577
    4    HB3  GLU  51           HB3      GLU  51   1.005   5.536  10.734
    5    HG2  GLU  51           HG2      GLU  51   2.299   3.835  12.007
    6    HG3  GLU  51           HG3      GLU  51   3.650   4.122  10.910

  No H/Q in entry =           6
  In of MODEL   12
    1    H    HIS  52           H        HIS  52  -1.238   4.126   9.748
    2    HA   HIS  52           HA       HIS  52  -1.566   5.169   7.016
    3    HB2  HIS  52           HB2      HIS  52  -3.949   4.581   7.145
    4    HB3  HIS  52           HB3      HIS  52  -2.921   3.166   7.325
    5    HD2  HIS  52           HD2      HIS  52  -2.755   2.296  10.142
    6    HE1  HIS  52           HE1      HIS  52  -6.541   4.007  10.947
    7    HE2  HIS  52           HE2      HIS  52  -4.885   2.218  11.627

  No H/Q in entry =           7
  In of MODEL   12
    1    H    SER  53           H        SER  53  -2.325   7.176   6.750
    2    HA   SER  53           HA       SER  53  -2.708   8.844   9.069
    3    HB2  SER  53           HB2      SER  53  -1.661   9.650   6.920
    4    HB3  SER  53           HB3      SER  53  -3.251   9.544   6.172
    5    HG   SER  53           HG       SER  53  -2.556  11.656   7.086

  No H/Q in entry =           5
  In of MODEL   12
    1    H    ASP  54           H        ASP  54  -4.749  10.319   9.059
    2    HA   ASP  54           HA       ASP  54  -6.946   8.777   9.699
    3    HB2  ASP  54           HB2      ASP  54  -6.688  11.109  10.429
    4    HB3  ASP  54           HB3      ASP  54  -6.958  11.660   8.777

  No H/Q in entry =           4
  In of MODEL   12
    1    H    LEU  55           H        LEU  55  -8.581   7.930   8.671
    2    HA   LEU  55           HA       LEU  55  -8.392   6.809   6.283
    3    HB2  LEU  55           HB2      LEU  55 -10.174   6.429   7.985
    4    HB3  LEU  55           HB3      LEU  55 -11.037   7.798   7.318
    5    HG   LEU  55           HG       LEU  55 -11.073   6.570   5.106
    6   HD11  LEU  55          HD11      LEU  55  -9.259   4.986   5.614
    7   HD12  LEU  55          HD12      LEU  55 -10.293   4.213   6.818
    8   HD13  LEU  55          HD13      LEU  55 -10.746   4.179   5.115
    9   HD21  LEU  55          HD21      LEU  55 -13.013   6.735   6.598
   10   HD22  LEU  55          HD22      LEU  55 -12.973   5.205   5.725
   11   HD23  LEU  55          HD23      LEU  55 -12.495   5.262   7.420

  No H/Q in entry =          11
  In of MODEL   12
    1    H    SER  56           H        SER  56 -11.174   8.846   6.006
    2    HA   SER  56           HA       SER  56 -10.357  10.971   4.457
    3    HB2  SER  56           HB2      SER  56 -10.732   8.455   2.850
    4    HB3  SER  56           HB3      SER  56 -11.199  10.007   2.164
    5    HG   SER  56           HG       SER  56  -8.640   9.148   3.012

  No H/Q in entry =           5
  In of MODEL   12
    1    H    PHE  57           H        PHE  57 -12.177  11.884   3.144
    2    HA   PHE  57           HA       PHE  57 -14.726  10.516   3.334
    3    HB2  PHE  57           HB2      PHE  57 -14.721  11.898   5.386
    4    HB3  PHE  57           HB3      PHE  57 -14.411  13.335   4.414
    5    HD1  PHE  57           HD1      PHE  57 -16.879  10.654   5.053
    6    HD2  PHE  57           HD2      PHE  57 -16.174  14.509   3.395
    7    HE1  PHE  57           HE1      PHE  57 -19.301  10.967   4.761
    8    HE2  PHE  57           HE2      PHE  57 -18.596  14.828   3.101
    9    HZ   PHE  57           HZ       PHE  57 -20.164  13.056   3.785

  No H/Q in entry =           9
  In of MODEL   12
    1    H    SER  58           H        SER  58 -15.232  10.439   1.260
    2    HA   SER  58           HA       SER  58 -15.000  12.897  -0.326
    3    HB2  SER  58           HB2      SER  58 -14.625  11.209  -2.277
    4    HB3  SER  58           HB3      SER  58 -13.275  11.599  -1.212
    5    HG   SER  58           HG       SER  58 -13.434   9.359  -1.488

  No H/Q in entry =           5
  In of MODEL   12
    1    H    LYS  59           H        LYS  59 -16.788  13.534  -1.260
    2    HA   LYS  59           HA       LYS  59 -19.239  12.158  -0.817
    3    HB2  LYS  59           HB2      LYS  59 -18.996  14.625  -0.855
    4    HB3  LYS  59           HB3      LYS  59 -18.696  14.545  -2.586
    5    HG2  LYS  59           HG2      LYS  59 -20.933  13.572  -2.903
    6    HG3  LYS  59           HG3      LYS  59 -21.230  13.753  -1.171
    7    HD2  LYS  59           HD2      LYS  59 -20.781  16.196  -1.425
    8    HD3  LYS  59           HD3      LYS  59 -20.698  15.951  -3.169
    9    HE2  LYS  59           HE2      LYS  59 -22.890  16.766  -2.527
   10    HE3  LYS  59           HE3      LYS  59 -23.012  15.122  -3.150
   11    HZ1  LYS  59           HZ1      LYS  59 -22.885  15.790  -0.258
   12    HZ2  LYS  59           HZ2      LYS  59 -24.331  15.545  -1.113
   13    HZ3  LYS  59           HZ3      LYS  59 -23.220  14.274  -0.944

  No H/Q in entry =          13
  In of MODEL   12
    1    H    ASP  60           H        ASP  60 -17.449  12.911  -3.822
    2    HA   ASP  60           HA       ASP  60 -19.322  11.207  -5.303
    3    HB2  ASP  60           HB2      ASP  60 -17.238  13.167  -6.295
    4    HB3  ASP  60           HB3      ASP  60 -18.290  12.210  -7.330

  No H/Q in entry =           4
  In of MODEL   12
    1    H    TRP  61           H        TRP  61 -16.115  11.412  -4.153
    2    HA   TRP  61           HA       TRP  61 -15.102   9.426  -6.007
    3    HB2  TRP  61           HB2      TRP  61 -13.658  10.810  -3.741
    4    HB3  TRP  61           HB3      TRP  61 -12.926   9.899  -5.057
    5    HD1  TRP  61           HD1      TRP  61 -12.694  11.121  -7.418
    6    HE1  TRP  61           HE1      TRP  61 -12.848  13.602  -8.112
    7    HE3  TRP  61           HE3      TRP  61 -14.904  12.996  -3.208
    8    HZ2  TRP  61           HZ2      TRP  61 -13.781  16.020  -7.010
    9    HZ3  TRP  61           HZ3      TRP  61 -15.396  15.398  -3.093
   10    HH2  TRP  61           HH2      TRP  61 -14.838  16.898  -4.981

  No H/Q in entry =          10
  In of MODEL   12
    1    H    SER  62           H        SER  62 -13.654   7.697  -4.959
    2    HA   SER  62           HA       SER  62 -15.183   6.308  -2.944
    3    HB2  SER  62           HB2      SER  62 -12.639   5.621  -4.444
    4    HB3  SER  62           HB3      SER  62 -13.350   4.558  -3.220
    5    HG   SER  62           HG       SER  62 -15.008   4.126  -4.520

  No H/Q in entry =           5
  In of MODEL   12
    1    H    PHE  63           H        PHE  63 -14.611   5.965  -0.860
    2    HA   PHE  63           HA       PHE  63 -12.940   7.807   0.457
    3    HB2  PHE  63           HB2      PHE  63 -13.249   5.837   2.303
    4    HB3  PHE  63           HB3      PHE  63 -14.465   7.065   1.969
    5    HD1  PHE  63           HD1      PHE  63 -16.553   6.497   1.064
    6    HD2  PHE  63           HD2      PHE  63 -13.451   3.589   1.201
    7    HE1  PHE  63           HE1      PHE  63 -18.164   4.753   0.424
    8    HE2  PHE  63           HE2      PHE  63 -15.056   1.840   0.564
    9    HZ   PHE  63           HZ       PHE  63 -17.416   2.422   0.173

  No H/Q in entry =           9
  In of MODEL   12
    1    H    TYR  64           H        TYR  64 -10.809   7.854   0.384
    2    HA   TYR  64           HA       TYR  64  -9.311   5.466  -0.320
    3    HB2  TYR  64           HB2      TYR  64  -8.038   8.116   0.292
    4    HB3  TYR  64           HB3      TYR  64  -7.510   6.878  -0.832
    5    HD1  TYR  64           HD1      TYR  64  -8.428   6.773  -3.091
    6    HD2  TYR  64           HD2      TYR  64  -9.659   9.788  -0.354
    7    HE1  TYR  64           HE1      TYR  64  -9.349   8.089  -4.958
    8    HE2  TYR  64           HE2      TYR  64 -10.588  11.106  -2.211
    9    HH   TYR  64           HH       TYR  64 -10.998   9.831  -5.346

  No H/Q in entry =           9
  In of MODEL   12
    1    H    LEU  65           H        LEU  65  -7.710   4.518   1.011
    2    HA   LEU  65           HA       LEU  65  -6.969   6.047   3.374
    3    HB2  LEU  65           HB2      LEU  65  -6.841   4.111   4.794
    4    HB3  LEU  65           HB3      LEU  65  -8.440   4.274   4.175
    5    HG   LEU  65           HG       LEU  65  -7.910   2.501   2.523
    6   HD11  LEU  65          HD11      LEU  65  -5.467   2.576   2.708
    7   HD12  LEU  65          HD12      LEU  65  -5.625   1.857   4.311
    8   HD13  LEU  65          HD13      LEU  65  -6.185   0.974   2.892
    9   HD21  LEU  65          HD21      LEU  65  -9.262   2.220   4.494
   10   HD22  LEU  65          HD22      LEU  65  -8.313   0.765   4.194
   11   HD23  LEU  65          HD23      LEU  65  -7.831   1.907   5.447

  No H/Q in entry =          11
  In of MODEL   12
    1    H    LEU  66           H        LEU  66  -4.901   5.973   3.907
    2    HA   LEU  66           HA       LEU  66  -3.213   4.921   1.762
    3    HB2  LEU  66           HB2      LEU  66  -3.572   7.495   2.321
    4    HB3  LEU  66           HB3      LEU  66  -2.338   7.168   3.486
    5    HG   LEU  66           HG       LEU  66  -2.014   6.746   0.539
    6   HD11  LEU  66          HD11      LEU  66  -1.043   8.964   2.343
    7   HD12  LEU  66          HD12      LEU  66  -0.558   8.743   0.663
    8   HD13  LEU  66          HD13      LEU  66  -2.238   9.109   1.055
    9   HD21  LEU  66          HD21      LEU  66  -0.596   5.272   1.863
   10   HD22  LEU  66          HD22      LEU  66   0.360   6.509   1.040
   11   HD23  LEU  66          HD23      LEU  66   0.011   6.661   2.764

  No H/Q in entry =          11
  In of MODEL   12
    1    H    TYR  67           H        TYR  67  -1.726   3.458   2.312
    2    HA   TYR  67           HA       TYR  67  -0.830   3.368   5.117
    3    HB2  TYR  67           HB2      TYR  67  -1.491   1.180   3.216
    4    HB3  TYR  67           HB3      TYR  67  -0.171   0.916   4.350
    5    HD1  TYR  67           HD1      TYR  67  -0.600   0.875   6.773
    6    HD2  TYR  67           HD2      TYR  67  -3.790   1.218   3.976
    7    HE1  TYR  67           HE1      TYR  67  -2.201   0.220   8.520
    8    HE2  TYR  67           HE2      TYR  67  -5.383   0.575   5.697
    9    HH   TYR  67           HH       TYR  67  -5.171  -0.868   7.985

  No H/Q in entry =           9
  In of MODEL   12
    1    H    TYR  68           H        TYR  68   1.120   4.087   5.402
    2    HA   TYR  68           HA       TYR  68   3.131   3.597   3.321
    3    HB2  TYR  68           HB2      TYR  68   3.948   5.911   3.497
    4    HB3  TYR  68           HB3      TYR  68   2.266   5.879   2.967
    5    HD1  TYR  68           HD1      TYR  68   4.531   6.714   5.747
    6    HD2  TYR  68           HD2      TYR  68   0.511   6.800   4.351
    7    HE1  TYR  68           HE1      TYR  68   3.945   8.286   7.546
    8    HE2  TYR  68           HE2      TYR  68  -0.080   8.378   6.146
    9    HH   TYR  68           HH       TYR  68   2.229   9.984   8.029

  No H/Q in entry =           9
  In of MODEL   12
    1    H    THR  69           H        THR  69   5.341   4.018   4.061
    2    HA   THR  69           HA       THR  69   5.769   4.171   6.924
    3    HB   THR  69           HB       THR  69   5.385   1.744   6.527
    4    HG1  THR  69           HG1      THR  69   6.787   2.367   8.203
    5   HG21  THR  69          HG21      THR  69   7.778   2.023   4.712
    6   HG22  THR  69          HG22      THR  69   7.212   0.478   5.349
    7   HG23  THR  69          HG23      THR  69   6.170   1.434   4.290

  No H/Q in entry =           7
  In of MODEL   12
    1    H    GLU  70           H        GLU  70   7.808   4.906   7.428
    2    HA   GLU  70           HA       GLU  70   9.431   5.949   5.286
    3    HB2  GLU  70           HB2      GLU  70   9.156   7.206   7.406
    4    HB3  GLU  70           HB3      GLU  70   9.866   5.870   8.291
    5    HG2  GLU  70           HG2      GLU  70  11.522   7.036   6.145
    6    HG3  GLU  70           HG3      GLU  70  11.230   8.042   7.563

  No H/Q in entry =           6
  In of MODEL   12
    1    H    PHE  71           H        PHE  71  11.251   5.052   4.475
    2    HA   PHE  71           HA       PHE  71  12.387   2.729   5.752
    3    HB2  PHE  71           HB2      PHE  71  12.134   1.240   3.840
    4    HB3  PHE  71           HB3      PHE  71  10.555   1.761   4.403
    5    HD1  PHE  71           HD1      PHE  71  10.930   4.575   2.978
    6    HD2  PHE  71           HD2      PHE  71  11.209   0.523   1.734
    7    HE1  PHE  71           HE1      PHE  71  10.349   5.246   0.675
    8    HE2  PHE  71           HE2      PHE  71  10.623   1.174  -0.564
    9    HZ   PHE  71           HZ       PHE  71  10.209   3.547  -1.108

  No H/Q in entry =           9
  In of MODEL   12
    1    H    THR  72           H        THR  72  14.427   2.106   4.798
    2    HA   THR  72           HA       THR  72  15.577   4.162   3.043
    3    HB   THR  72           HB       THR  72  17.051   2.445   5.054
    4    HG1  THR  72           HG1      THR  72  15.539   4.470   5.560
    5   HG21  THR  72          HG21      THR  72  18.414   3.134   3.112
    6   HG22  THR  72          HG22      THR  72  17.989   4.817   3.426
    7   HG23  THR  72          HG23      THR  72  18.947   3.913   4.601

  No H/Q in entry =           7
  In of MODEL   12
    1    HA   PRO  73           HA       PRO  73  15.133   0.313   0.487
    2    HB2  PRO  73           HB2      PRO  73  15.775   1.874  -1.791
    3    HB3  PRO  73           HB3      PRO  73  14.158   1.368  -1.282
    4    HG2  PRO  73           HG2      PRO  73  15.562   3.953  -0.888
    5    HG3  PRO  73           HG3      PRO  73  13.827   3.641  -1.079
    6    HD2  PRO  73           HD2      PRO  73  14.897   4.266   1.307
    7    HD3  PRO  73           HD3      PRO  73  13.549   3.108   1.163

  No H/Q in entry =           7
  In of MODEL   12
    1    H    THR  74           H        THR  74  16.598  -0.939  -0.516
    2    HA   THR  74           HA       THR  74  19.292   0.062  -0.975
    3    HB   THR  74           HB       THR  74  20.380  -1.777   0.128
    4    HG1  THR  74           HG1      THR  74  17.737  -2.768   0.420
    5   HG21  THR  74          HG21      THR  74  18.238  -0.673   1.950
    6   HG22  THR  74          HG22      THR  74  19.703  -1.492   2.490
    7   HG23  THR  74          HG23      THR  74  19.819   0.050   1.640

  No H/Q in entry =           7
  In of MODEL   12
    1    H    GLU  75           H        GLU  75  20.533  -1.717  -2.233
    2    HA   GLU  75           HA       GLU  75  18.993  -2.452  -4.461
    3    HB2  GLU  75           HB2      GLU  75  21.546  -2.005  -4.174
    4    HB3  GLU  75           HB3      GLU  75  21.650  -3.689  -3.753
    5    HG2  GLU  75           HG2      GLU  75  21.417  -4.341  -5.847
    6    HG3  GLU  75           HG3      GLU  75  20.287  -3.062  -6.284

  No H/Q in entry =           6
  In of MODEL   12
    1    H    LYS  76           H        LYS  76  19.945  -4.169  -1.548
    2    HA   LYS  76           HA       LYS  76  19.400  -6.729  -2.698
    3    HB2  LYS  76           HB2      LYS  76  20.452  -5.895   0.001
    4    HB3  LYS  76           HB3      LYS  76  20.266  -7.566  -0.511
    5    HG2  LYS  76           HG2      LYS  76  22.309  -7.481  -1.395
    6    HG3  LYS  76           HG3      LYS  76  21.735  -6.260  -2.528
    7    HD2  LYS  76           HD2      LYS  76  22.265  -4.507  -0.885
    8    HD3  LYS  76           HD3      LYS  76  22.890  -5.745   0.206
    9    HE2  LYS  76           HE2      LYS  76  24.637  -6.310  -1.318
   10    HE3  LYS  76           HE3      LYS  76  23.927  -5.318  -2.588
   11    HZ1  LYS  76           HZ1      LYS  76  25.024  -4.267  -0.033
   12    HZ2  LYS  76           HZ2      LYS  76  25.843  -4.266  -1.517
   13    HZ3  LYS  76           HZ3      LYS  76  24.432  -3.349  -1.327

  No H/Q in entry =          13
  In of MODEL   12
    1    H    ASP  77           H        ASP  77  17.818  -4.502  -0.501
    2    HA   ASP  77           HA       ASP  77  16.117  -6.660   0.498
    3    HB2  ASP  77           HB2      ASP  77  15.248  -5.106   2.105
    4    HB3  ASP  77           HB3      ASP  77  16.989  -4.878   2.062

  No H/Q in entry =           4
  In of MODEL   12
    1    H    GLU  78           H        GLU  78  13.630  -5.981   0.667
    2    HA   GLU  78           HA       GLU  78  12.716  -4.706  -1.751
    3    HB2  GLU  78           HB2      GLU  78  13.355  -6.852  -2.661
    4    HB3  GLU  78           HB3      GLU  78  12.591  -7.695  -1.331
    5    HG2  GLU  78           HG2      GLU  78  10.493  -7.538  -2.209
    6    HG3  GLU  78           HG3      GLU  78  10.832  -6.075  -3.138

  No H/Q in entry =           6
  In of MODEL   12
    1    H    TYR  79           H        TYR  79  10.554  -4.181  -1.596
    2    HA   TYR  79           HA       TYR  79   9.169  -4.953   0.857
    3    HB2  TYR  79           HB2      TYR  79   8.873  -2.257  -0.474
    4    HB3  TYR  79           HB3      TYR  79   8.315  -2.751   1.121
    5    HD1  TYR  79           HD1      TYR  79   9.636  -2.434   3.015
    6    HD2  TYR  79           HD2      TYR  79  11.394  -2.035  -0.837
    7    HE1  TYR  79           HE1      TYR  79  11.666  -1.505   4.041
    8    HE2  TYR  79           HE2      TYR  79  13.431  -1.117   0.184
    9    HH   TYR  79           HH       TYR  79  14.555  -1.311   2.562

  No H/Q in entry =           9
  In of MODEL   12
    1    H    ALA  80           H        ALA  80   6.847  -4.950   0.738
    2    HA   ALA  80           HA       ALA  80   5.727  -4.932  -1.976
    3    HB1  ALA  80           HB1      ALA  80   6.504  -7.234  -1.553
    4    HB2  ALA  80           HB2      ALA  80   4.760  -7.125  -1.794
    5    HB3  ALA  80           HB3      ALA  80   5.413  -7.317  -0.166

  No H/Q in entry =           5
  In of MODEL   12
    1    H    CYS  81           H        CYS  81   3.323  -5.060  -1.982
    2    HA   CYS  81           HA       CYS  81   2.188  -3.954   0.508
    3    HB2  CYS  81           HB2      CYS  81   1.818  -3.288  -2.365
    4    HB3  CYS  81           HB3      CYS  81   0.377  -3.247  -1.357

  No H/Q in entry =           4
  In of MODEL   12
    1    H    ARG  82           H        ARG  82   0.542  -5.063   1.439
    2    HA   ARG  82           HA       ARG  82  -0.758  -7.242  -0.098
    3    HB2  ARG  82           HB2      ARG  82   0.736  -7.866   1.918
    4    HB3  ARG  82           HB3      ARG  82  -0.519  -7.120   2.895
    5    HG2  ARG  82           HG2      ARG  82  -2.160  -8.699   2.029
    6    HG3  ARG  82           HG3      ARG  82  -0.904  -9.468   1.055
    7    HD2  ARG  82           HD2      ARG  82  -0.638  -9.199   4.036
    8    HD3  ARG  82           HD3      ARG  82  -1.493 -10.553   3.314
    9    HE   ARG  82           HE       ARG  82   1.038 -10.323   2.117
   10   HH11  ARG  82          HH11      ARG  82  -0.417 -11.148   5.176
   11   HH12  ARG  82          HH12      ARG  82   0.802 -12.312   5.604
   12   HH21  ARG  82          HH21      ARG  82   2.665 -11.863   2.654
   13   HH22  ARG  82          HH22      ARG  82   2.568 -12.709   4.170

  No H/Q in entry =          13
  In of MODEL   12
    1    H    VAL  83           H        VAL  83  -3.002  -7.224  -0.130
    2    HA   VAL  83           HA       VAL  83  -4.340  -5.581   1.913
    3    HB   VAL  83           HB       VAL  83  -5.801  -4.502   0.502
    4   HG11  VAL  83          HG11      VAL  83  -3.234  -4.714  -1.015
    5   HG12  VAL  83          HG12      VAL  83  -4.478  -3.495  -1.298
    6   HG13  VAL  83          HG13      VAL  83  -3.639  -3.563   0.256
    7   HG21  VAL  83          HG21      VAL  83  -5.086  -6.427  -1.699
    8   HG22  VAL  83          HG22      VAL  83  -6.586  -6.407  -0.773
    9   HG23  VAL  83          HG23      VAL  83  -6.196  -5.066  -1.849

  No H/Q in entry =           9
  In of MODEL   12
    1    H    ASN  84           H        ASN  84  -6.204  -6.344   2.679
    2    HA   ASN  84           HA       ASN  84  -7.102  -8.951   1.685
    3    HB2  ASN  84           HB2      ASN  84  -7.366  -7.903   4.520
    4    HB3  ASN  84           HB3      ASN  84  -7.736  -9.528   3.962
    5   HD21  ASN  84          HD21      ASN  84  -5.111  -7.233   4.416
    6   HD22  ASN  84          HD22      ASN  84  -3.867  -8.417   4.664

  No H/Q in entry =           6
  In of MODEL   12
    1    H    HIS  85           H        HIS  85  -9.129  -8.939   0.817
    2    HA   HIS  85           HA       HIS  85 -11.195  -7.463   2.216
    3    HB2  HIS  85           HB2      HIS  85 -10.163  -6.129   0.204
    4    HB3  HIS  85           HB3      HIS  85 -11.069  -7.273  -0.781
    5    HD2  HIS  85           HD2      HIS  85 -11.849  -4.567   2.000
    6    HE1  HIS  85           HE1      HIS  85 -15.202  -5.117  -0.529
    7    HE2  HIS  85           HE2      HIS  85 -14.294  -3.867   1.483

  No H/Q in entry =           7
  In of MODEL   12
    1    H    VAL  86           H        VAL  86 -13.371  -8.214   1.378
    2    HA   VAL  86           HA       VAL  86 -13.386 -11.045   1.326
    3    HB   VAL  86           HB       VAL  86 -15.807 -10.884   1.161
    4   HG11  VAL  86          HG11      VAL  86 -14.770 -10.524   3.336
    5   HG12  VAL  86          HG12      VAL  86 -14.670  -8.794   3.010
    6   HG13  VAL  86          HG13      VAL  86 -16.244  -9.572   3.171
    7   HG21  VAL  86          HG21      VAL  86 -15.932  -9.064  -0.484
    8   HG22  VAL  86          HG22      VAL  86 -16.956  -8.757   0.919
    9   HG23  VAL  86          HG23      VAL  86 -15.413  -7.921   0.753

  No H/Q in entry =           9
  In of MODEL   12
    1    H    THR  87           H        THR  87 -13.312  -8.655  -1.182
    2    HA   THR  87           HA       THR  87 -14.605 -10.183  -3.190
    3    HB   THR  87           HB       THR  87 -13.629  -8.498  -4.728
    4    HG1  THR  87           HG1      THR  87 -12.684  -6.822  -2.845
    5   HG21  THR  87          HG21      THR  87 -14.943  -7.517  -2.213
    6   HG22  THR  87          HG22      THR  87 -14.669  -6.487  -3.617
    7   HG23  THR  87          HG23      THR  87 -15.714  -7.908  -3.752

  No H/Q in entry =           7
  In of MODEL   12
    1    H    LEU  88           H        LEU  88 -11.258  -9.637  -2.292
    2    HA   LEU  88           HA       LEU  88 -10.183 -11.057  -4.526
    3    HB2  LEU  88           HB2      LEU  88  -8.919 -10.167  -1.922
    4    HB3  LEU  88           HB3      LEU  88  -8.028 -10.889  -3.247
    5    HG   LEU  88           HG       LEU  88  -9.443  -8.224  -3.246
    6   HD11  LEU  88          HD11      LEU  88  -7.252  -8.253  -2.136
    7   HD12  LEU  88          HD12      LEU  88  -6.525  -8.946  -3.597
    8   HD13  LEU  88          HD13      LEU  88  -7.214  -7.315  -3.642
    9   HD21  LEU  88          HD21      LEU  88  -8.096  -9.680  -5.519
   10   HD22  LEU  88          HD22      LEU  88  -9.810  -9.286  -5.386
   11   HD23  LEU  88          HD23      LEU  88  -8.620  -7.994  -5.559

  No H/Q in entry =          11
  In of MODEL   12
    1    H    SER  89           H        SER  89 -10.110 -13.183  -4.727
    2    HA   SER  89           HA       SER  89 -11.105 -14.998  -2.867
    3    HB2  SER  89           HB2      SER  89  -9.937 -16.723  -4.319
    4    HB3  SER  89           HB3      SER  89 -11.024 -15.628  -5.171
    5    HG   SER  89           HG       SER  89  -8.376 -16.020  -5.518

  No H/Q in entry =           5
  In of MODEL   12
    1    H    GLN  90           H        GLN  90  -7.891 -13.765  -3.386
    2    HA   GLN  90           HA       GLN  90  -7.055 -14.872  -0.821
    3    HB2  GLN  90           HB2      GLN  90  -5.170 -14.585  -3.164
    4    HB3  GLN  90           HB3      GLN  90  -4.888 -15.439  -1.656
    5    HG2  GLN  90           HG2      GLN  90  -6.890 -16.304  -3.721
    6    HG3  GLN  90           HG3      GLN  90  -5.221 -16.872  -3.678
    7   HE21  GLN  90          HE21      GLN  90  -7.688 -18.373  -3.436
    8   HE22  GLN  90          HE22      GLN  90  -7.608 -19.190  -1.910

  No H/Q in entry =           8
  In of MODEL   12
    1    HA   PRO  91           HA       PRO  91  -5.989 -10.470  -0.159
    2    HB2  PRO  91           HB2      PRO  91  -3.687 -11.920   1.137
    3    HB3  PRO  91           HB3      PRO  91  -4.546 -10.458   1.675
    4    HG2  PRO  91           HG2      PRO  91  -5.169 -12.751   2.786
    5    HG3  PRO  91           HG3      PRO  91  -6.470 -11.648   2.257
    6    HD2  PRO  91           HD2      PRO  91  -5.464 -14.188   0.970
    7    HD3  PRO  91           HD3      PRO  91  -7.144 -13.570   1.071

  No H/Q in entry =           7
  In of MODEL   12
    1    H    LYS  92           H        LYS  92  -4.392  -9.054  -0.992
    2    HA   LYS  92           HA       LYS  92  -3.157 -10.351  -3.318
    3    HB2  LYS  92           HB2      LYS  92  -5.096  -8.850  -3.775
    4    HB3  LYS  92           HB3      LYS  92  -4.148  -7.516  -3.131
    5    HG2  LYS  92           HG2      LYS  92  -3.975  -7.493  -5.516
    6    HG3  LYS  92           HG3      LYS  92  -2.420  -7.990  -4.826
    7    HD2  LYS  92           HD2      LYS  92  -2.997  -9.382  -6.734
    8    HD3  LYS  92           HD3      LYS  92  -2.968 -10.317  -5.239
    9    HE2  LYS  92           HE2      LYS  92  -5.375 -10.286  -5.120
   10    HE3  LYS  92           HE3      LYS  92  -5.466  -9.229  -6.529
   11    HZ1  LYS  92           HZ1      LYS  92  -4.081 -11.805  -6.789
   12    HZ2  LYS  92           HZ2      LYS  92  -5.777 -11.803  -6.765
   13    HZ3  LYS  92           HZ3      LYS  92  -4.940 -10.920  -7.952

  No H/Q in entry =          13
  In of MODEL   12
    1    H    ILE  93           H        ILE  93  -1.047 -10.234  -3.471
    2    HA   ILE  93           HA       ILE  93   0.339  -8.092  -2.010
    3    HB   ILE  93           HB       ILE  93   1.384 -10.796  -2.832
    4   HG12  ILE  93          HG12      ILE  93   1.865 -10.877  -0.289
    5   HG13  ILE  93          HG13      ILE  93   0.708  -9.561  -0.175
    6   HG21  ILE  93          HG21      ILE  93   3.085  -9.078  -3.160
    7   HG22  ILE  93          HG22      ILE  93   2.870  -8.554  -1.488
    8   HG23  ILE  93          HG23      ILE  93   3.502 -10.164  -1.831
    9   HD11  ILE  93          HD11      ILE  93   0.143 -12.281  -1.320
   10   HD12  ILE  93          HD12      ILE  93  -0.289 -11.735   0.300
   11   HD13  ILE  93          HD13      ILE  93  -1.017 -10.971  -1.111

  No H/Q in entry =          11
  In of MODEL   12
    1    H    VAL  94           H        VAL  94   1.289  -6.625  -3.159
    2    HA   VAL  94           HA       VAL  94   2.240  -7.289  -5.852
    3    HB   VAL  94           HB       VAL  94   0.947  -4.693  -4.976
    4   HG11  VAL  94          HG11      VAL  94   2.273  -5.395  -7.592
    5   HG12  VAL  94          HG12      VAL  94   1.337  -3.932  -7.284
    6   HG13  VAL  94          HG13      VAL  94   2.845  -4.216  -6.413
    7   HG21  VAL  94          HG21      VAL  94  -0.626  -6.495  -5.514
    8   HG22  VAL  94          HG22      VAL  94  -0.699  -5.190  -6.699
    9   HG23  VAL  94          HG23      VAL  94   0.142  -6.689  -7.089

  No H/Q in entry =           9
  In of MODEL   12
    1    H    LYS  95           H        LYS  95   4.302  -6.883  -6.130
    2    HA   LYS  95           HA       LYS  95   5.824  -5.920  -3.865
    3    HB2  LYS  95           HB2      LYS  95   6.608  -7.032  -6.534
    4    HB3  LYS  95           HB3      LYS  95   7.781  -6.327  -5.433
    5    HG2  LYS  95           HG2      LYS  95   7.095  -7.980  -3.719
    6    HG3  LYS  95           HG3      LYS  95   6.069  -8.747  -4.938
    7    HD2  LYS  95           HD2      LYS  95   7.872  -9.427  -6.220
    8    HD3  LYS  95           HD3      LYS  95   8.953  -8.223  -5.520
    9    HE2  LYS  95           HE2      LYS  95   9.580 -10.399  -4.725
   10    HE3  LYS  95           HE3      LYS  95   8.903  -9.473  -3.388
   11    HZ1  LYS  95           HZ1      LYS  95   7.339 -11.433  -4.981
   12    HZ2  LYS  95           HZ2      LYS  95   8.149 -11.827  -3.542
   13    HZ3  LYS  95           HZ3      LYS  95   6.890 -10.695  -3.524

  No H/Q in entry =          13
  In of MODEL   12
    1    H    TRP  96           H        TRP  96   7.095  -4.100  -3.828
    2    HA   TRP  96           HA       TRP  96   6.112  -1.876  -5.265
    3    HB2  TRP  96           HB2      TRP  96   7.008  -1.575  -3.033
    4    HB3  TRP  96           HB3      TRP  96   8.593  -2.182  -3.524
    5    HD1  TRP  96           HD1      TRP  96   6.255   0.726  -4.643
    6    HE1  TRP  96           HE1      TRP  96   7.725   2.796  -5.026
    7    HE3  TRP  96           HE3      TRP  96  10.813  -1.311  -3.560
    8    HZ2  TRP  96           HZ2      TRP  96  10.460   3.483  -4.878
    9    HZ3  TRP  96           HZ3      TRP  96  12.811   0.110  -3.698
   10    HH2  TRP  96           HH2      TRP  96  12.632   2.480  -4.351

  No H/Q in entry =          10
  In of MODEL   12
    1    H    ASP  97           H        ASP  97   6.368  -1.771  -7.349
    2    HA   ASP  97           HA       ASP  97   8.933  -2.519  -8.570
    3    HB2  ASP  97           HB2      ASP  97   6.340  -1.821  -9.988
    4    HB3  ASP  97           HB3      ASP  97   7.834  -2.355 -10.753

  No H/Q in entry =           4
  In of MODEL   12
    1    H    ARG  98           H        ARG  98  10.354  -1.039  -8.852
    2    HA   ARG  98           HA       ARG  98   9.620   1.764  -8.790
    3    HB2  ARG  98           HB2      ARG  98  12.008   2.199  -8.670
    4    HB3  ARG  98           HB3      ARG  98  11.584   0.957  -7.516
    5    HG2  ARG  98           HG2      ARG  98  13.267  -0.228  -8.321
    6    HG3  ARG  98           HG3      ARG  98  12.305  -0.462  -9.780
    7    HD2  ARG  98           HD2      ARG  98  14.442   0.340 -10.461
    8    HD3  ARG  98           HD3      ARG  98  13.300   1.668 -10.662
    9    HE   ARG  98           HE       ARG  98  15.027   1.490  -8.272
   10   HH11  ARG  98          HH11      ARG  98  13.824   3.259 -11.063
   11   HH12  ARG  98          HH12      ARG  98  14.718   4.702 -10.672
   12   HH21  ARG  98          HH21      ARG  98  16.209   3.375  -7.792
   13   HH22  ARG  98          HH22      ARG  98  16.089   4.763  -8.829

  No H/Q in entry =          13
  In of MODEL   12
    1    H    ASP  99           H        ASP  99  10.963  -0.615 -10.965
    2    HA   ASP  99           HA       ASP  99  10.000   0.804 -13.295
    3    HB2  ASP  99           HB2      ASP  99  12.922   0.351 -12.775
    4    HB3  ASP  99           HB3      ASP  99  12.296   0.515 -14.410

  No H/Q in entry =           4
  In of MODEL   12
    1    H    MET 100           H        MET 100  10.413  -1.883 -11.603
    2    HA   MET 100           HA       MET 100  11.477  -3.863 -13.174
    3    HB2  MET 100           HB2      MET 100   9.024  -4.270 -11.461
    4    HB3  MET 100           HB3      MET 100  10.260  -5.452 -11.867
    5    HG2  MET 100           HG2      MET 100  10.558  -3.064 -10.066
    6    HG3  MET 100           HG3      MET 100  10.529  -4.760  -9.595
    7    HE1  MET 100           HE1      MET 100  12.761  -2.865  -8.544
    8    HE2  MET 100           HE2      MET 100  12.755  -4.601  -8.217
    9    HE3  MET 100           HE3      MET 100  14.219  -3.821  -8.816

  No H/Q in entry =           9
  In of MODEL   13
    1    HA   ILE   2           HA       ILE   2 -22.015  -9.893  -2.940
    2    HB   ILE   2           HB       ILE   2 -20.314  -9.549  -4.844
    3   HG12  ILE   2          HG12      ILE   2 -22.721  -8.231  -6.142
    4   HG13  ILE   2          HG13      ILE   2 -21.243  -7.386  -5.680
    5   HG21  ILE   2          HG21      ILE   2 -21.766 -11.495  -4.620
    6   HG22  ILE   2          HG22      ILE   2 -23.054 -10.640  -5.468
    7   HG23  ILE   2          HG23      ILE   2 -21.561 -11.044  -6.313
    8   HD11  ILE   2          HD11      ILE   2 -21.446  -9.593  -7.714
    9   HD12  ILE   2          HD12      ILE   2 -21.291  -7.869  -8.056
   10   HD13  ILE   2          HD13      ILE   2 -19.975  -8.733  -7.260

  No H/Q in entry =          10
  In of MODEL   13
    1    H    GLN   3           H        GLN   3 -20.207  -7.470  -4.627
    2    HA   GLN   3           HA       GLN   3 -19.757  -5.506  -2.754
    3    HB2  GLN   3           HB2      GLN   3 -18.927  -7.602  -1.439
    4    HB3  GLN   3           HB3      GLN   3 -17.564  -7.563  -2.539
    5    HG2  GLN   3           HG2      GLN   3 -16.802  -6.431  -0.656
    6    HG3  GLN   3           HG3      GLN   3 -17.238  -5.148  -1.780
    7   HE21  GLN   3          HE21      GLN   3 -20.137  -5.572  -1.279
    8   HE22  GLN   3          HE22      GLN   3 -20.436  -4.841   0.256

  No H/Q in entry =           8
  In of MODEL   13
    1    H    ARG   4           H        ARG   4 -17.272  -4.704  -3.125
    2    HA   ARG   4           HA       ARG   4 -16.776  -4.912  -6.027
    3    HB2  ARG   4           HB2      ARG   4 -17.592  -2.725  -5.672
    4    HB3  ARG   4           HB3      ARG   4 -16.711  -2.552  -4.169
    5    HG2  ARG   4           HG2      ARG   4 -14.640  -2.154  -5.287
    6    HG3  ARG   4           HG3      ARG   4 -15.294  -2.718  -6.837
    7    HD2  ARG   4           HD2      ARG   4 -15.067  -0.231  -6.610
    8    HD3  ARG   4           HD3      ARG   4 -16.695  -0.775  -7.021
    9    HE   ARG   4           HE       ARG   4 -16.496  -0.552  -4.228
   10   HH11  ARG   4          HH11      ARG   4 -16.518   1.503  -7.062
   11   HH12  ARG   4          HH12      ARG   4 -17.199   2.863  -6.222
   12   HH21  ARG   4          HH21      ARG   4 -17.358   1.262  -3.116
   13   HH22  ARG   4          HH22      ARG   4 -17.685   2.724  -4.003

  No H/Q in entry =          13
  In of MODEL   13
    1    H    THR   5           H        THR   5 -14.744  -5.430  -6.662
    2    HA   THR   5           HA       THR   5 -12.963  -6.458  -4.661
    3    HB   THR   5           HB       THR   5 -11.598  -7.264  -6.506
    4    HG1  THR   5           HG1      THR   5 -12.194  -5.225  -7.798
    5   HG21  THR   5          HG21      THR   5 -14.542  -7.671  -6.608
    6   HG22  THR   5          HG22      THR   5 -13.564  -8.317  -7.925
    7   HG23  THR   5          HG23      THR   5 -13.239  -8.820  -6.270

  No H/Q in entry =           7
  In of MODEL   13
    1    HA   PRO   6           HA       PRO   6 -10.574  -2.624  -4.537
    2    HB2  PRO   6           HB2      PRO   6  -8.855  -3.971  -2.622
    3    HB3  PRO   6           HB3      PRO   6  -9.917  -2.581  -2.384
    4    HG2  PRO   6           HG2      PRO   6 -10.387  -5.051  -1.307
    5    HG3  PRO   6           HG3      PRO   6 -11.665  -3.864  -1.667
    6    HD2  PRO   6           HD2      PRO   6 -10.852  -6.313  -3.195
    7    HD3  PRO   6           HD3      PRO   6 -12.466  -5.593  -2.963

  No H/Q in entry =           7
  In of MODEL   13
    1    H    LYS   7           H        LYS   7  -8.833  -2.028  -5.672
    2    HA   LYS   7           HA       LYS   7  -7.109  -4.161  -6.739
    3    HB2  LYS   7           HB2      LYS   7  -8.353  -2.836  -8.425
    4    HB3  LYS   7           HB3      LYS   7  -7.640  -1.359  -7.796
    5    HG2  LYS   7           HG2      LYS   7  -5.406  -2.224  -8.438
    6    HG3  LYS   7           HG3      LYS   7  -6.202  -3.611  -9.182
    7    HD2  LYS   7           HD2      LYS   7  -7.390  -2.124 -10.710
    8    HD3  LYS   7           HD3      LYS   7  -6.643  -0.721  -9.941
    9    HE2  LYS   7           HE2      LYS   7  -4.418  -1.633 -10.580
   10    HE3  LYS   7           HE3      LYS   7  -5.241  -2.917 -11.462
   11    HZ1  LYS   7           HZ1      LYS   7  -5.569  -0.015 -12.021
   12    HZ2  LYS   7           HZ2      LYS   7  -4.529  -1.048 -12.874
   13    HZ3  LYS   7           HZ3      LYS   7  -6.205  -1.300 -12.927

  No H/Q in entry =          13
  In of MODEL   13
    1    H    ILE   8           H        ILE   8  -4.816  -3.669  -6.987
    2    HA   ILE   8           HA       ILE   8  -3.889  -2.130  -4.655
    3    HB   ILE   8           HB       ILE   8  -2.109  -4.015  -6.140
    4   HG12  ILE   8          HG12      ILE   8  -4.123  -5.340  -5.844
    5   HG13  ILE   8          HG13      ILE   8  -2.898  -5.882  -4.708
    6   HG21  ILE   8          HG21      ILE   8  -2.397  -3.249  -3.237
    7   HG22  ILE   8          HG22      ILE   8  -1.180  -4.348  -3.886
    8   HG23  ILE   8          HG23      ILE   8  -1.183  -2.651  -4.364
    9   HD11  ILE   8          HD11      ILE   8  -3.992  -4.590  -2.944
   10   HD12  ILE   8          HD12      ILE   8  -5.240  -4.110  -4.093
   11   HD13  ILE   8          HD13      ILE   8  -5.056  -5.809  -3.652

  No H/Q in entry =          11
  In of MODEL   13
    1    H    GLN   9           H        GLN   9  -2.584  -0.428  -4.908
    2    HA   GLN   9           HA       GLN   9  -1.004  -0.215  -7.356
    3    HB2  GLN   9           HB2      GLN   9  -1.973   2.444  -6.576
    4    HB3  GLN   9           HB3      GLN   9  -2.083   1.715  -8.184
    5    HG2  GLN   9           HG2      GLN   9  -4.057   0.496  -7.550
    6    HG3  GLN   9           HG3      GLN   9  -4.022   1.202  -5.942
    7   HE21  GLN   9          HE21      GLN   9  -4.618   1.737  -9.306
    8   HE22  GLN   9          HE22      GLN   9  -5.410   3.272  -9.145

  No H/Q in entry =           8
  In of MODEL   13
    1    H    VAL  10           H        VAL  10   1.026   0.054  -6.751
    2    HA   VAL  10           HA       VAL  10   1.666   1.333  -4.177
    3    HB   VAL  10           HB       VAL  10   3.243  -0.957  -5.349
    4   HG11  VAL  10          HG11      VAL  10   4.405   0.427  -3.708
    5   HG12  VAL  10          HG12      VAL  10   3.112   0.139  -2.546
    6   HG13  VAL  10          HG13      VAL  10   4.116  -1.199  -3.090
    7   HG21  VAL  10          HG21      VAL  10   0.956  -1.736  -4.954
    8   HG22  VAL  10          HG22      VAL  10   2.134  -2.501  -3.886
    9   HG23  VAL  10          HG23      VAL  10   1.087  -1.216  -3.272

  No H/Q in entry =           9
  In of MODEL   13
    1    H    TYR  11           H        TYR  11   3.236   2.850  -4.262
    2    HA   TYR  11           HA       TYR  11   5.346   2.761  -6.180
    3    HB2  TYR  11           HB2      TYR  11   4.798   5.072  -7.133
    4    HB3  TYR  11           HB3      TYR  11   3.859   3.719  -7.745
    5    HD1  TYR  11           HD1      TYR  11   1.557   3.759  -7.681
    6    HD2  TYR  11           HD2      TYR  11   3.709   6.552  -5.312
    7    HE1  TYR  11           HE1      TYR  11  -0.541   4.941  -7.195
    8    HE2  TYR  11           HE2      TYR  11   1.614   7.746  -4.810
    9    HH   TYR  11           HH       TYR  11  -1.501   6.450  -5.680

  No H/Q in entry =           9
  In of MODEL   13
    1    H    SER  12           H        SER  12   6.820   4.584  -5.991
    2    HA   SER  12           HA       SER  12   7.272   5.278  -3.239
    3    HB2  SER  12           HB2      SER  12   9.227   6.582  -4.527
    4    HB3  SER  12           HB3      SER  12   9.275   4.816  -4.419
    5    HG   SER  12           HG       SER  12   8.270   6.372  -6.577

  No H/Q in entry =           5
  In of MODEL   13
    1    H    ARG  13           H        ARG  13   6.817   7.175  -2.252
    2    HA   ARG  13           HA       ARG  13   5.037   9.017  -3.478
    3    HB2  ARG  13           HB2      ARG  13   5.264   8.573  -0.979
    4    HB3  ARG  13           HB3      ARG  13   6.752   9.493  -1.014
    5    HG2  ARG  13           HG2      ARG  13   4.141  10.742  -1.830
    6    HG3  ARG  13           HG3      ARG  13   4.662  10.650  -0.155
    7    HD2  ARG  13           HD2      ARG  13   6.235  11.930  -2.385
    8    HD3  ARG  13           HD3      ARG  13   5.239  12.793  -1.217
    9    HE   ARG  13           HE       ARG  13   7.662  11.259  -0.525
   10   HH11  ARG  13          HH11      ARG  13   5.456  13.925   0.012
   11   HH12  ARG  13          HH12      ARG  13   6.371  14.573   1.341
   12   HH21  ARG  13          HH21      ARG  13   8.892  12.150   1.197
   13   HH22  ARG  13          HH22      ARG  13   8.315  13.585   2.003

  No H/Q in entry =          13
  In of MODEL   13
    1    H    HIS  14           H        HIS  14   8.499   9.172  -2.841
    2    HA   HIS  14           HA       HIS  14   8.695  11.233  -4.916
    3    HB2  HIS  14           HB2      HIS  14   9.903  11.225  -2.183
    4    HB3  HIS  14           HB3      HIS  14  10.867  11.896  -3.495
    5    HD2  HIS  14           HD2      HIS  14   7.651  13.061  -4.632
    6    HE1  HIS  14           HE1      HIS  14   8.606  15.760  -1.518
    7    HE2  HIS  14           HE2      HIS  14   7.021  15.273  -3.434

  No H/Q in entry =           7
  In of MODEL   13
    1    HA   PRO  15           HA       PRO  15  11.879   8.856  -6.967
    2    HB2  PRO  15           HB2      PRO  15  14.334  10.090  -6.362
    3    HB3  PRO  15           HB3      PRO  15  13.307  10.420  -7.770
    4    HG2  PRO  15           HG2      PRO  15  13.544  11.949  -5.191
    5    HG3  PRO  15           HG3      PRO  15  13.201  12.543  -6.850
    6    HD2  PRO  15           HD2      PRO  15  11.259  12.337  -4.980
    7    HD3  PRO  15           HD3      PRO  15  10.940  12.010  -6.709

  No H/Q in entry =           7
  In of MODEL   13
    1    H    ALA  16           H        ALA  16  12.856   6.988  -6.469
    2    HA   ALA  16           HA       ALA  16  13.428   6.470  -3.670
    3    HB1  ALA  16           HB1      ALA  16  11.907   4.964  -4.857
    4    HB2  ALA  16           HB2      ALA  16  13.195   4.565  -5.994
    5    HB3  ALA  16           HB3      ALA  16  13.348   4.121  -4.295

  No H/Q in entry =           5
  In of MODEL   13
    1    H    GLU  17           H        GLU  17  15.435   6.106  -2.920
    2    HA   GLU  17           HA       GLU  17  17.578   5.660  -4.861
    3    HB2  GLU  17           HB2      GLU  17  17.464   8.041  -4.078
    4    HB3  GLU  17           HB3      GLU  17  17.791   7.462  -2.447
    5    HG2  GLU  17           HG2      GLU  17  19.821   8.276  -3.487
    6    HG3  GLU  17           HG3      GLU  17  19.920   6.538  -3.208

  No H/Q in entry =           6
  In of MODEL   13
    1    H    ASN  18           H        ASN  18  18.891   4.056  -4.366
    2    HA   ASN  18           HA       ASN  18  18.399   2.437  -2.052
    3    HB2  ASN  18           HB2      ASN  18  18.886   1.099  -3.846
    4    HB3  ASN  18           HB3      ASN  18  20.058   2.227  -4.525
    5   HD21  ASN  18          HD21      ASN  18  21.633   0.743  -4.879
    6   HD22  ASN  18          HD22      ASN  18  22.475  -0.093  -3.619

  No H/Q in entry =           6
  In of MODEL   13
    1    H    GLY  19           H        GLY  19  19.368   2.472  -0.186
    2    HA2  GLY  19           HA2      GLY  19  22.046   3.571   0.163
    3    HA3  GLY  19           HA3      GLY  19  21.035   2.839   1.421

  No H/Q in entry =           3
  In of MODEL   13
    1    H    LYS  20           H        LYS  20  18.786   4.549   0.367
    2    HA   LYS  20           HA       LYS  20  19.467   7.031   1.772
    3    HB2  LYS  20           HB2      LYS  20  19.739   7.120  -0.800
    4    HB3  LYS  20           HB3      LYS  20  17.990   7.029  -0.850
    5    HG2  LYS  20           HG2      LYS  20  18.608   9.305  -1.046
    6    HG3  LYS  20           HG3      LYS  20  17.908   9.086   0.559
    7    HD2  LYS  20           HD2      LYS  20  20.159   8.967   1.520
    8    HD3  LYS  20           HD3      LYS  20  20.856   9.168  -0.085
    9    HE2  LYS  20           HE2      LYS  20  19.106  11.173   1.338
   10    HE3  LYS  20           HE3      LYS  20  20.860  11.266   1.187
   11    HZ1  LYS  20           HZ1      LYS  20  20.377  11.151  -1.327
   12    HZ2  LYS  20           HZ2      LYS  20  18.799  11.614  -0.896
   13    HZ3  LYS  20           HZ3      LYS  20  20.110  12.613  -0.508

  No H/Q in entry =          13
  In of MODEL   13
    1    H    SER  21           H        SER  21  17.698   8.029   2.706
    2    HA   SER  21           HA       SER  21  15.529   6.341   3.400
    3    HB2  SER  21           HB2      SER  21  16.014   9.284   3.847
    4    HB3  SER  21           HB3      SER  21  14.707   8.368   4.593
    5    HG   SER  21           HG       SER  21  16.862   6.984   5.069

  No H/Q in entry =           5
  In of MODEL   13
    1    H    ASN  22           H        ASN  22  13.452   6.340   2.719
    2    HA   ASN  22           HA       ASN  22  12.626   8.192   0.603
    3    HB2  ASN  22           HB2      ASN  22  13.687   5.897  -0.261
    4    HB3  ASN  22           HB3      ASN  22  12.144   5.240   0.272
    5   HD21  ASN  22          HD21      ASN  22  12.390   8.489  -1.055
    6   HD22  ASN  22          HD22      ASN  22  11.601   8.119  -2.547

  No H/Q in entry =           6
  In of MODEL   13
    1    H    PHE  23           H        PHE  23  10.202   7.643   0.065
    2    HA   PHE  23           HA       PHE  23   8.847   6.831   2.546
    3    HB2  PHE  23           HB2      PHE  23   8.280   9.245   0.822
    4    HB3  PHE  23           HB3      PHE  23   7.111   8.596   1.961
    5    HD1  PHE  23           HD1      PHE  23  10.727   9.572   1.992
    6    HD2  PHE  23           HD2      PHE  23   6.940   9.708   3.927
    7    HE1  PHE  23           HE1      PHE  23  11.688  10.977   3.767
    8    HE2  PHE  23           HE2      PHE  23   7.894  11.119   5.702
    9    HZ   PHE  23           HZ       PHE  23  10.269  11.746   5.629

  No H/Q in entry =           9
  In of MODEL   13
    1    H    LEU  24           H        LEU  24   7.448   5.238   2.208
    2    HA   LEU  24           HA       LEU  24   6.832   4.405  -0.521
    3    HB2  LEU  24           HB2      LEU  24   7.257   3.097   1.880
    4    HB3  LEU  24           HB3      LEU  24   5.534   2.935   1.641
    5    HG   LEU  24           HG       LEU  24   7.749   1.909  -0.150
    6   HD11  LEU  24          HD11      LEU  24   5.567   0.530   1.421
    7   HD12  LEU  24          HD12      LEU  24   6.716  -0.276   0.351
    8   HD13  LEU  24          HD13      LEU  24   7.288   0.539   1.808
    9   HD21  LEU  24          HD21      LEU  24   4.784   1.997  -0.677
   10   HD22  LEU  24          HD22      LEU  24   6.085   2.667  -1.670
   11   HD23  LEU  24          HD23      LEU  24   5.901   0.916  -1.513

  No H/Q in entry =          11
  In of MODEL   13
    1    H    ASN  25           H        ASN  25   4.723   4.103  -1.261
    2    HA   ASN  25           HA       ASN  25   2.550   5.161   0.399
    3    HB2  ASN  25           HB2      ASN  25   3.386   6.209  -2.275
    4    HB3  ASN  25           HB3      ASN  25   1.661   6.080  -1.971
    5   HD21  ASN  25          HD21      ASN  25   1.355   8.278  -2.030
    6   HD22  ASN  25          HD22      ASN  25   1.893   9.329  -0.770

  No H/Q in entry =           6
  In of MODEL   13
    1    H    CYS  26           H        CYS  26   0.893   3.782   0.460
    2    HA   CYS  26           HA       CYS  26   0.541   1.906  -1.776
    3    HB2  CYS  26           HB2      CYS  26   1.483   0.966   0.448
    4    HB3  CYS  26           HB3      CYS  26  -0.156   1.204   1.059

  No H/Q in entry =           4
  In of MODEL   13
    1    H    TYR  27           H        TYR  27  -1.378   2.074  -2.727
    2    HA   TYR  27           HA       TYR  27  -3.487   3.522  -1.245
    3    HB2  TYR  27           HB2      TYR  27  -2.413   3.922  -4.002
    4    HB3  TYR  27           HB3      TYR  27  -4.131   4.171  -3.743
    5    HD1  TYR  27           HD1      TYR  27  -4.912   6.043  -2.312
    6    HD2  TYR  27           HD2      TYR  27  -0.773   5.503  -3.175
    7    HE1  TYR  27           HE1      TYR  27  -4.487   8.374  -1.700
    8    HE2  TYR  27           HE2      TYR  27  -0.341   7.836  -2.539
    9    HH   TYR  27           HH       TYR  27  -2.728   9.793  -0.972

  No H/Q in entry =           9
  In of MODEL   13
    1    H    VAL  28           H        VAL  28  -5.006   2.033  -0.802
    2    HA   VAL  28           HA       VAL  28  -5.789   0.241  -3.008
    3    HB   VAL  28           HB       VAL  28  -6.588  -0.277  -0.162
    4   HG11  VAL  28          HG11      VAL  28  -6.150  -2.040  -2.564
    5   HG12  VAL  28          HG12      VAL  28  -6.664  -2.601  -0.973
    6   HG13  VAL  28          HG13      VAL  28  -7.708  -1.532  -1.911
    7   HG21  VAL  28          HG21      VAL  28  -3.964  -1.011  -1.441
    8   HG22  VAL  28          HG22      VAL  28  -4.225  -0.127   0.064
    9   HG23  VAL  28          HG23      VAL  28  -4.622  -1.844  -0.031

  No H/Q in entry =           9
  In of MODEL   13
    1    H    SER  29           H        SER  29  -7.741   0.535  -3.858
    2    HA   SER  29           HA       SER  29  -9.850   1.781  -2.308
    3    HB2  SER  29           HB2      SER  29 -10.226   3.453  -4.219
    4    HB3  SER  29           HB3      SER  29  -8.890   3.765  -3.109
    5    HG   SER  29           HG       SER  29  -7.468   2.933  -4.642

  No H/Q in entry =           5
  In of MODEL   13
    1    H    GLY  30           H        GLY  30 -11.923   1.897  -3.616
    2    HA2  GLY  30           HA2      GLY  30 -12.137  -0.123  -5.695
    3    HA3  GLY  30           HA3      GLY  30 -13.449   0.859  -5.047

  No H/Q in entry =           3
  In of MODEL   13
    1    H    PHE  31           H        PHE  31 -14.746  -0.094  -3.441
    2    HA   PHE  31           HA       PHE  31 -14.695  -2.509  -2.510
    3    HB2  PHE  31           HB2      PHE  31 -13.476  -2.681  -0.419
    4    HB3  PHE  31           HB3      PHE  31 -12.397  -2.436  -1.787
    5    HD1  PHE  31           HD1      PHE  31 -13.702  -1.004   1.319
    6    HD2  PHE  31           HD2      PHE  31 -11.073  -0.463  -1.979
    7    HE1  PHE  31           HE1      PHE  31 -12.451   0.688   2.588
    8    HE2  PHE  31           HE2      PHE  31  -9.845   1.254  -0.724
    9    HZ   PHE  31           HZ       PHE  31 -10.524   1.806   1.570

  No H/Q in entry =           9
  In of MODEL   13
    1    H    HIS  32           H        HIS  32 -15.447  -2.685  -0.032
    2    HA   HIS  32           HA       HIS  32 -16.920  -0.359   0.848
    3    HB2  HIS  32           HB2      HIS  32 -18.501  -2.883   0.171
    4    HB3  HIS  32           HB3      HIS  32 -19.122  -1.458   0.976
    5    HD2  HIS  32           HD2      HIS  32 -18.609  -2.847  -2.543
    6    HE1  HIS  32           HE1      HIS  32 -20.036   1.121  -2.869
    7    HE2  HIS  32           HE2      HIS  32 -19.862  -1.122  -4.028

  No H/Q in entry =           7
  In of MODEL   13
    1    HA   PRO  33           HA       PRO  33 -19.024  -0.456   2.564
    2    HB2  PRO  33           HB2      PRO  33 -18.083   0.354   5.245
    3    HB3  PRO  33           HB3      PRO  33 -19.714  -0.040   4.694
    4    HG2  PRO  33           HG2      PRO  33 -18.339  -1.706   6.269
    5    HG3  PRO  33           HG3      PRO  33 -19.412  -2.310   4.993
    6    HD2  PRO  33           HD2      PRO  33 -16.430  -2.101   5.025
    7    HD3  PRO  33           HD3      PRO  33 -17.465  -3.390   4.362

  No H/Q in entry =           7
  In of MODEL   13
    1    H    SER  34           H        SER  34 -16.383   0.704   4.672
    2    HA   SER  34           HA       SER  34 -15.295   2.326   2.531
    3    HB2  SER  34           HB2      SER  34 -16.214   3.471   5.188
    4    HB3  SER  34           HB3      SER  34 -15.261   4.343   3.986
    5    HG   SER  34           HG       SER  34 -17.296   3.398   2.671

  No H/Q in entry =           5
  In of MODEL   13
    1    H    ASP  35           H        ASP  35 -14.617  -0.054   3.974
    2    HA   ASP  35           HA       ASP  35 -12.207   0.777   5.445
    3    HB2  ASP  35           HB2      ASP  35 -14.118  -1.371   6.394
    4    HB3  ASP  35           HB3      ASP  35 -12.641  -0.858   7.200

  No H/Q in entry =           4
  In of MODEL   13
    1    H    ILE  36           H        ILE  36 -10.445  -0.351   4.948
    2    HA   ILE  36           HA       ILE  36 -10.638  -3.156   4.214
    3    HB   ILE  36           HB       ILE  36 -10.554  -1.747   2.046
    4   HG12  ILE  36          HG12      ILE  36  -8.681  -3.952   2.800
    5   HG13  ILE  36          HG13      ILE  36 -10.116  -4.037   1.794
    6   HG21  ILE  36          HG21      ILE  36  -7.724  -1.377   3.023
    7   HG22  ILE  36          HG22      ILE  36  -8.282  -1.017   1.388
    8   HG23  ILE  36          HG23      ILE  36  -8.912  -0.100   2.756
    9   HD11  ILE  36          HD11      ILE  36  -7.469  -2.822   1.024
   10   HD12  ILE  36          HD12      ILE  36  -8.098  -4.382   0.489
   11   HD13  ILE  36          HD13      ILE  36  -8.902  -2.891   0.000

  No H/Q in entry =          11
  In of MODEL   13
    1    H    GLU  37           H        GLU  37  -8.574  -4.276   4.583
    2    HA   GLU  37           HA       GLU  37  -6.705  -2.669   6.176
    3    HB2  GLU  37           HB2      GLU  37  -7.907  -4.593   7.342
    4    HB3  GLU  37           HB3      GLU  37  -7.009  -5.660   6.278
    5    HG2  GLU  37           HG2      GLU  37  -5.842  -5.581   8.354
    6    HG3  GLU  37           HG3      GLU  37  -4.896  -4.664   7.182

  No H/Q in entry =           6
  In of MODEL   13
    1    H    VAL  38           H        VAL  38  -4.788  -2.401   5.331
    2    HA   VAL  38           HA       VAL  38  -3.746  -4.407   3.491
    3    HB   VAL  38           HB       VAL  38  -3.982  -3.059   1.744
    4   HG11  VAL  38          HG11      VAL  38  -4.510  -0.801   3.651
    5   HG12  VAL  38          HG12      VAL  38  -4.709  -0.720   1.898
    6   HG13  VAL  38          HG13      VAL  38  -5.698  -1.830   2.848
    7   HG21  VAL  38          HG21      VAL  38  -1.951  -1.305   3.130
    8   HG22  VAL  38          HG22      VAL  38  -1.616  -2.647   2.036
    9   HG23  VAL  38          HG23      VAL  38  -2.396  -1.184   1.424

  No H/Q in entry =           9
  In of MODEL   13
    1    H    ASP  39           H        ASP  39  -1.695  -4.840   3.692
    2    HA   ASP  39           HA       ASP  39  -0.210  -3.420   5.802
    3    HB2  ASP  39           HB2      ASP  39  -0.067  -5.267   7.086
    4    HB3  ASP  39           HB3      ASP  39  -1.318  -5.946   6.054

  No H/Q in entry =           4
  In of MODEL   13
    1    H    LEU  40           H        LEU  40   2.048  -3.382   5.579
    2    HA   LEU  40           HA       LEU  40   2.864  -3.695   2.785
    3    HB2  LEU  40           HB2      LEU  40   4.288  -2.166   4.952
    4    HB3  LEU  40           HB3      LEU  40   4.597  -2.101   3.230
    5    HG   LEU  40           HG       LEU  40   2.179  -1.025   4.666
    6   HD11  LEU  40          HD11      LEU  40   4.457   0.327   3.227
    7   HD12  LEU  40          HD12      LEU  40   3.042   1.139   3.898
    8   HD13  LEU  40          HD13      LEU  40   4.174   0.314   4.969
    9   HD21  LEU  40          HD21      LEU  40   2.826  -1.071   1.725
   10   HD22  LEU  40          HD22      LEU  40   1.455  -1.841   2.529
   11   HD23  LEU  40          HD23      LEU  40   1.566  -0.078   2.463

  No H/Q in entry =          11
  In of MODEL   13
    1    H    LEU  41           H        LEU  41   4.649  -4.863   2.236
    2    HA   LEU  41           HA       LEU  41   5.702  -6.589   4.355
    3    HB2  LEU  41           HB2      LEU  41   5.738  -7.346   1.477
    4    HB3  LEU  41           HB3      LEU  41   5.855  -8.361   2.875
    5    HG   LEU  41           HG       LEU  41   3.331  -6.950   2.047
    6   HD11  LEU  41          HD11      LEU  41   4.179  -9.822   1.684
    7   HD12  LEU  41          HD12      LEU  41   2.583  -9.168   1.324
    8   HD13  LEU  41          HD13      LEU  41   3.983  -8.625   0.403
    9   HD21  LEU  41          HD21      LEU  41   3.886  -9.075   4.113
   10   HD22  LEU  41          HD22      LEU  41   3.456  -7.393   4.432
   11   HD23  LEU  41          HD23      LEU  41   2.290  -8.472   3.665

  No H/Q in entry =          11
  In of MODEL   13
    1    H    LYS  42           H        LYS  42   7.620  -7.756   3.459
    2    HA   LYS  42           HA       LYS  42   9.582  -6.155   2.117
    3    HB2  LYS  42           HB2      LYS  42  10.081  -7.020   4.964
    4    HB3  LYS  42           HB3      LYS  42  11.254  -6.270   3.895
    5    HG2  LYS  42           HG2      LYS  42   9.638  -4.284   3.725
    6    HG3  LYS  42           HG3      LYS  42   8.756  -5.054   5.013
    7    HD2  LYS  42           HD2      LYS  42  11.705  -4.420   5.344
    8    HD3  LYS  42           HD3      LYS  42  10.421  -3.261   5.743
    9    HE2  LYS  42           HE2      LYS  42   9.442  -4.961   7.258
   10    HE3  LYS  42           HE3      LYS  42  10.817  -6.009   6.908
   11    HZ1  LYS  42           HZ1      LYS  42  12.280  -4.245   7.776
   12    HZ2  LYS  42           HZ2      LYS  42  10.914  -3.339   8.204
   13    HZ3  LYS  42           HZ3      LYS  42  11.202  -4.834   8.948

  No H/Q in entry =          13
  In of MODEL   13
    1    H    ASN  43           H        ASN  43   9.912  -7.620   0.688
    2    HA   ASN  43           HA       ASN  43  10.533  -9.519  -0.385
    3    HB2  ASN  43           HB2      ASN  43  11.593 -10.402   2.321
    4    HB3  ASN  43           HB3      ASN  43  12.008 -11.139   0.776
    5   HD21  ASN  43          HD21      ASN  43  13.286  -9.930  -0.703
    6   HD22  ASN  43          HD22      ASN  43  14.301  -8.639  -0.139

  No H/Q in entry =           6
  In of MODEL   13
    1    H    GLY  44           H        GLY  44   8.535  -9.643   2.363
    2    HA2  GLY  44           HA2      GLY  44   7.636 -12.377   1.969
    3    HA3  GLY  44           HA3      GLY  44   6.476 -11.112   1.532

  No H/Q in entry =           3
  In of MODEL   13
    1    H    GLU  45           H        GLU  45   8.426  -9.972   3.972
    2    HA   GLU  45           HA       GLU  45   6.880 -11.115   6.174
    3    HB2  GLU  45           HB2      GLU  45   9.308  -9.332   6.210
    4    HB3  GLU  45           HB3      GLU  45   8.656 -10.224   7.577
    5    HG2  GLU  45           HG2      GLU  45   9.275 -12.308   6.538
    6    HG3  GLU  45           HG3      GLU  45   9.789 -11.454   5.087

  No H/Q in entry =           6
  In of MODEL   13
    1    H    ARG  46           H        ARG  46   5.615  -9.819   7.535
    2    HA   ARG  46           HA       ARG  46   4.595  -7.423   6.416
    3    HB2  ARG  46           HB2      ARG  46   3.256  -8.964   7.805
    4    HB3  ARG  46           HB3      ARG  46   4.250  -8.551   9.199
    5    HG2  ARG  46           HG2      ARG  46   3.451  -6.302   9.208
    6    HG3  ARG  46           HG3      ARG  46   2.637  -6.520   7.663
    7    HD2  ARG  46           HD2      ARG  46   0.967  -7.919   8.636
    8    HD3  ARG  46           HD3      ARG  46   1.899  -8.081  10.134
    9    HE   ARG  46           HE       ARG  46   1.500  -5.483  10.144
   10   HH11  ARG  46          HH11      ARG  46  -0.784  -8.011   9.306
   11   HH12  ARG  46          HH12      ARG  46  -2.168  -7.088   9.799
   12   HH21  ARG  46          HH21      ARG  46  -0.321  -4.278  10.792
   13   HH22  ARG  46          HH22      ARG  46  -1.908  -4.984  10.652

  No H/Q in entry =          13
  In of MODEL   13
    1    H    ILE  47           H        ILE  47   4.917  -5.326   6.910
    2    HA   ILE  47           HA       ILE  47   7.198  -4.608   8.577
    3    HB   ILE  47           HB       ILE  47   5.386  -2.845   6.913
    4   HG12  ILE  47          HG12      ILE  47   8.183  -3.771   6.283
    5   HG13  ILE  47          HG13      ILE  47   6.739  -4.454   5.540
    6   HG21  ILE  47          HG21      ILE  47   6.478  -1.674   8.764
    7   HG22  ILE  47          HG22      ILE  47   8.047  -2.255   8.211
    8   HG23  ILE  47          HG23      ILE  47   7.118  -1.143   7.208
    9   HD11  ILE  47          HD11      ILE  47   6.300  -1.889   4.991
   10   HD12  ILE  47          HD12      ILE  47   8.054  -1.840   5.092
   11   HD13  ILE  47          HD13      ILE  47   7.265  -2.921   3.939

  No H/Q in entry =          11
  In of MODEL   13
    1    H    GLU  48           H        GLU  48   6.986  -3.549  10.507
    2    HA   GLU  48           HA       GLU  48   4.269  -3.356  11.530
    3    HB2  GLU  48           HB2      GLU  48   5.558  -3.047  13.750
    4    HB3  GLU  48           HB3      GLU  48   5.492  -4.642  13.018
    5    HG2  GLU  48           HG2      GLU  48   7.794  -2.757  12.710
    6    HG3  GLU  48           HG3      GLU  48   7.692  -3.951  13.983

  No H/Q in entry =           6
  In of MODEL   13
    1    H    LYS  49           H        LYS  49   7.147  -1.324  11.069
    2    HA   LYS  49           HA       LYS  49   6.219   1.002  12.240
    3    HB2  LYS  49           HB2      LYS  49   8.007   0.722   9.827
    4    HB3  LYS  49           HB3      LYS  49   7.872   2.146  10.851
    5    HG2  LYS  49           HG2      LYS  49   8.476  -0.263  12.341
    6    HG3  LYS  49           HG3      LYS  49   9.691   0.124  11.121
    7    HD2  LYS  49           HD2      LYS  49   9.992   2.309  12.067
    8    HD3  LYS  49           HD3      LYS  49   8.622   2.079  13.150
    9    HE2  LYS  49           HE2      LYS  49   9.906   0.201  14.223
   10    HE3  LYS  49           HE3      LYS  49  11.301   0.678  13.252
   11    HZ1  LYS  49           HZ1      LYS  49  11.161   2.892  14.276
   12    HZ2  LYS  49           HZ2      LYS  49   9.905   2.342  15.275
   13    HZ3  LYS  49           HZ3      LYS  49  11.457   1.665  15.410

  No H/Q in entry =          13
  In of MODEL   13
    1    H    VAL  50           H        VAL  50   4.598  -0.494   9.857
    2    HA   VAL  50           HA       VAL  50   4.008   1.580   8.029
    3    HB   VAL  50           HB       VAL  50   2.267  -0.752   8.826
    4   HG11  VAL  50          HG11      VAL  50   1.089   1.078   7.642
    5   HG12  VAL  50          HG12      VAL  50   2.246   0.922   6.315
    6   HG13  VAL  50          HG13      VAL  50   1.164  -0.418   6.698
    7   HG21  VAL  50          HG21      VAL  50   4.532  -1.375   8.053
    8   HG22  VAL  50          HG22      VAL  50   3.255  -1.923   6.977
    9   HG23  VAL  50          HG23      VAL  50   4.220  -0.516   6.544

  No H/Q in entry =           9
  In of MODEL   13
    1    H    GLU  51           H        GLU  51   2.521   3.180   8.034
    2    HA   GLU  51           HA       GLU  51   0.589   3.285  10.233
    3    HB2  GLU  51           HB2      GLU  51   2.323   5.615   9.380
    4    HB3  GLU  51           HB3      GLU  51   1.029   5.671  10.574
    5    HG2  GLU  51           HG2      GLU  51   2.244   4.221  12.045
    6    HG3  GLU  51           HG3      GLU  51   3.503   3.981  10.833

  No H/Q in entry =           6
  In of MODEL   13
    1    H    HIS  52           H        HIS  52  -1.298   4.293   9.763
    2    HA   HIS  52           HA       HIS  52  -1.695   5.087   6.954
    3    HB2  HIS  52           HB2      HIS  52  -4.114   4.556   7.286
    4    HB3  HIS  52           HB3      HIS  52  -3.049   3.163   7.369
    5    HD2  HIS  52           HD2      HIS  52  -2.623   2.248  10.126
    6    HE1  HIS  52           HE1      HIS  52  -6.328   3.892  11.332
    7    HE2  HIS  52           HE2      HIS  52  -4.586   2.121  11.812

  No H/Q in entry =           7
  In of MODEL   13
    1    H    SER  53           H        SER  53  -2.378   7.082   6.508
    2    HA   SER  53           HA       SER  53  -2.515   9.012   8.635
    3    HB2  SER  53           HB2      SER  53  -2.904   9.253   5.635
    4    HB3  SER  53           HB3      SER  53  -2.938  10.640   6.722
    5    HG   SER  53           HG       SER  53  -0.791  10.044   7.353

  No H/Q in entry =           5
  In of MODEL   13
    1    H    ASP  54           H        ASP  54  -4.311  10.809   8.198
    2    HA   ASP  54           HA       ASP  54  -6.738   9.818   9.135
    3    HB2  ASP  54           HB2      ASP  54  -5.914  12.197   9.274
    4    HB3  ASP  54           HB3      ASP  54  -6.369  12.388   7.584

  No H/Q in entry =           4
  In of MODEL   13
    1    H    LEU  55           H        LEU  55  -8.304   8.754   8.191
    2    HA   LEU  55           HA       LEU  55  -8.193   7.606   5.736
    3    HB2  LEU  55           HB2      LEU  55  -9.732   6.928   7.535
    4    HB3  LEU  55           HB3      LEU  55 -10.744   8.318   7.185
    5    HG   LEU  55           HG       LEU  55 -11.125   7.396   4.891
    6   HD11  LEU  55          HD11      LEU  55  -9.145   5.964   4.770
    7   HD12  LEU  55          HD12      LEU  55  -9.835   4.917   6.014
    8   HD13  LEU  55          HD13      LEU  55 -10.633   5.074   4.449
    9   HD21  LEU  55          HD21      LEU  55 -12.759   7.115   6.694
   10   HD22  LEU  55          HD22      LEU  55 -12.755   5.743   5.589
   11   HD23  LEU  55          HD23      LEU  55 -11.976   5.607   7.165

  No H/Q in entry =          11
  In of MODEL   13
    1    H    SER  56           H        SER  56 -10.848   9.860   6.221
    2    HA   SER  56           HA       SER  56 -10.423  11.746   4.284
    3    HB2  SER  56           HB2      SER  56 -12.028  10.689   2.451
    4    HB3  SER  56           HB3      SER  56 -10.309  10.282   2.441
    5    HG   SER  56           HG       SER  56 -10.752   8.304   3.183

  No H/Q in entry =           5
  In of MODEL   13
    1    H    PHE  57           H        PHE  57 -12.851  12.316   3.251
    2    HA   PHE  57           HA       PHE  57 -14.725  11.978   5.490
    3    HB2  PHE  57           HB2      PHE  57 -15.712  14.114   5.001
    4    HB3  PHE  57           HB3      PHE  57 -13.977  14.360   5.108
    5    HD1  PHE  57           HD1      PHE  57 -12.658  14.676   2.991
    6    HD2  PHE  57           HD2      PHE  57 -16.912  14.635   3.058
    7    HE1  PHE  57           HE1      PHE  57 -12.704  15.787   0.793
    8    HE2  PHE  57           HE2      PHE  57 -16.974  15.716   0.848
    9    HZ   PHE  57           HZ       PHE  57 -14.860  16.311  -0.277

  No H/Q in entry =           9
  In of MODEL   13
    1    H    SER  58           H        SER  58 -17.112  12.412   4.411
    2    HA   SER  58           HA       SER  58 -17.470  10.272   2.552
    3    HB2  SER  58           HB2      SER  58 -19.866  11.089   2.548
    4    HB3  SER  58           HB3      SER  58 -19.219  10.691   4.139
    5    HG   SER  58           HG       SER  58 -20.416  12.791   3.770

  No H/Q in entry =           5
  In of MODEL   13
    1    H    LYS  59           H        LYS  59 -19.393  11.268   0.783
    2    HA   LYS  59           HA       LYS  59 -19.640  12.331  -1.250
    3    HB2  LYS  59           HB2      LYS  59 -20.010  14.173   0.411
    4    HB3  LYS  59           HB3      LYS  59 -18.338  14.651   0.153
    5    HG2  LYS  59           HG2      LYS  59 -18.852  14.978  -2.250
    6    HG3  LYS  59           HG3      LYS  59 -20.544  14.629  -1.892
    7    HD2  LYS  59           HD2      LYS  59 -20.342  16.987  -1.916
    8    HD3  LYS  59           HD3      LYS  59 -20.452  16.519  -0.218
    9    HE2  LYS  59           HE2      LYS  59 -18.734  18.182  -0.456
   10    HE3  LYS  59           HE3      LYS  59 -17.976  16.634  -0.083
   11    HZ1  LYS  59           HZ1      LYS  59 -18.210  17.822  -2.796
   12    HZ2  LYS  59           HZ2      LYS  59 -16.805  17.821  -1.847
   13    HZ3  LYS  59           HZ3      LYS  59 -17.446  16.358  -2.422

  No H/Q in entry =          13
  In of MODEL   13
    1    H    ASP  60           H        ASP  60 -17.922  10.926  -2.293
    2    HA   ASP  60           HA       ASP  60 -15.539  12.499  -2.904
    3    HB2  ASP  60           HB2      ASP  60 -14.687  11.262  -1.082
    4    HB3  ASP  60           HB3      ASP  60 -15.509   9.791  -1.592

  No H/Q in entry =           4
  In of MODEL   13
    1    H    TRP  61           H        TRP  61 -16.523   9.124  -3.360
    2    HA   TRP  61           HA       TRP  61 -17.324   8.954  -5.924
    3    HB2  TRP  61           HB2      TRP  61 -15.215  10.233  -6.520
    4    HB3  TRP  61           HB3      TRP  61 -14.295   8.839  -5.964
    5    HD1  TRP  61           HD1      TRP  61 -14.248   6.693  -7.535
    6    HE1  TRP  61           HE1      TRP  61 -14.932   6.316  -9.989
    7    HE3  TRP  61           HE3      TRP  61 -16.926  10.977  -8.292
    8    HZ2  TRP  61           HZ2      TRP  61 -16.407   7.659 -11.981
    9    HZ3  TRP  61           HZ3      TRP  61 -17.944  11.370 -10.490
   10    HH2  TRP  61           HH2      TRP  61 -17.685   9.722 -12.320

  No H/Q in entry =          10
  In of MODEL   13
    1    H    SER  62           H        SER  62 -14.620   7.700  -3.975
    2    HA   SER  62           HA       SER  62 -15.906   5.104  -3.855
    3    HB2  SER  62           HB2      SER  62 -13.304   5.558  -5.306
    4    HB3  SER  62           HB3      SER  62 -13.756   3.969  -4.676
    5    HG   SER  62           HG       SER  62 -15.697   5.280  -6.164

  No H/Q in entry =           5
  In of MODEL   13
    1    H    PHE  63           H        PHE  63 -13.975   7.471  -2.517
    2    HA   PHE  63           HA       PHE  63 -12.961   7.733  -0.512
    3    HB2  PHE  63           HB2      PHE  63 -13.812   4.916   0.203
    4    HB3  PHE  63           HB3      PHE  63 -13.345   6.192   1.314
    5    HD1  PHE  63           HD1      PHE  63 -16.021   4.701  -0.590
    6    HD2  PHE  63           HD2      PHE  63 -14.927   8.114   1.714
    7    HE1  PHE  63           HE1      PHE  63 -18.400   5.268  -0.311
    8    HE2  PHE  63           HE2      PHE  63 -17.325   8.689   1.997
    9    HZ   PHE  63           HZ       PHE  63 -19.045   7.263   0.975

  No H/Q in entry =           9
  In of MODEL   13
    1    H    TYR  64           H        TYR  64 -10.973   7.341   0.491
    2    HA   TYR  64           HA       TYR  64  -9.320   5.269  -0.780
    3    HB2  TYR  64           HB2      TYR  64  -8.392   8.119  -0.332
    4    HB3  TYR  64           HB3      TYR  64  -7.518   6.844  -1.167
    5    HD1  TYR  64           HD1      TYR  64  -7.889   6.423  -3.500
    6    HD2  TYR  64           HD2      TYR  64 -10.415   9.109  -1.377
    7    HE1  TYR  64           HE1      TYR  64  -8.868   7.193  -5.633
    8    HE2  TYR  64           HE2      TYR  64 -11.392   9.869  -3.490
    9    HH   TYR  64           HH       TYR  64 -10.975   9.952  -5.777

  No H/Q in entry =           9
  In of MODEL   13
    1    H    LEU  65           H        LEU  65  -7.742   4.397   0.518
    2    HA   LEU  65           HA       LEU  65  -7.238   5.643   3.120
    3    HB2  LEU  65           HB2      LEU  65  -8.750   3.994   3.763
    4    HB3  LEU  65           HB3      LEU  65  -8.153   2.840   2.590
    5    HG   LEU  65           HG       LEU  65  -6.199   3.542   4.668
    6   HD11  LEU  65          HD11      LEU  65  -8.360   3.655   5.910
    7   HD12  LEU  65          HD12      LEU  65  -8.667   1.989   5.422
    8   HD13  LEU  65          HD13      LEU  65  -7.285   2.370   6.448
    9   HD21  LEU  65          HD21      LEU  65  -7.345   0.967   3.605
   10   HD22  LEU  65          HD22      LEU  65  -5.871   1.758   3.046
   11   HD23  LEU  65          HD23      LEU  65  -5.957   1.109   4.684

  No H/Q in entry =          11
  In of MODEL   13
    1    H    LEU  66           H        LEU  66  -5.147   5.702   3.698
    2    HA   LEU  66           HA       LEU  66  -3.285   4.645   1.686
    3    HB2  LEU  66           HB2      LEU  66  -3.739   7.219   2.196
    4    HB3  LEU  66           HB3      LEU  66  -2.569   6.923   3.444
    5    HG   LEU  66           HG       LEU  66  -2.087   6.491   0.511
    6   HD11  LEU  66          HD11      LEU  66  -2.283   8.854   1.064
    7   HD12  LEU  66          HD12      LEU  66  -1.102   8.657   2.356
    8   HD13  LEU  66          HD13      LEU  66  -0.613   8.436   0.678
    9   HD21  LEU  66          HD21      LEU  66  -0.224   6.275   2.856
   10   HD22  LEU  66          HD22      LEU  66  -0.761   4.962   1.812
   11   HD23  LEU  66          HD23      LEU  66   0.272   6.239   1.168

  No H/Q in entry =          11
  In of MODEL   13
    1    H    TYR  67           H        TYR  67  -1.769   3.286   2.338
    2    HA   TYR  67           HA       TYR  67  -0.975   3.259   5.172
    3    HB2  TYR  67           HB2      TYR  67  -1.652   1.025   3.343
    4    HB3  TYR  67           HB3      TYR  67  -0.302   0.782   4.442
    5    HD1  TYR  67           HD1      TYR  67  -0.684   0.911   6.905
    6    HD2  TYR  67           HD2      TYR  67  -3.905   0.929   4.122
    7    HE1  TYR  67           HE1      TYR  67  -2.232   0.235   8.698
    8    HE2  TYR  67           HE2      TYR  67  -5.442   0.241   5.895
    9    HH   TYR  67           HH       TYR  67  -5.295  -0.960   8.139

  No H/Q in entry =           9
  In of MODEL   13
    1    H    TYR  68           H        TYR  68   1.040   3.921   5.451
    2    HA   TYR  68           HA       TYR  68   3.013   3.313   3.353
    3    HB2  TYR  68           HB2      TYR  68   3.913   5.596   3.440
    4    HB3  TYR  68           HB3      TYR  68   2.229   5.600   2.907
    5    HD1  TYR  68           HD1      TYR  68   4.574   6.595   5.520
    6    HD2  TYR  68           HD2      TYR  68   0.486   6.508   4.355
    7    HE1  TYR  68           HE1      TYR  68   4.058   8.276   7.236
    8    HE2  TYR  68           HE2      TYR  68  -0.044   8.189   6.062
    9    HH   TYR  68           HH       TYR  68   2.248  10.032   7.623

  No H/Q in entry =           9
  In of MODEL   13
    1    H    THR  69           H        THR  69   5.245   3.767   4.047
    2    HA   THR  69           HA       THR  69   5.746   3.997   6.896
    3    HB   THR  69           HB       THR  69   5.336   1.543   6.580
    4    HG1  THR  69           HG1      THR  69   6.839   2.403   8.173
    5   HG21  THR  69          HG21      THR  69   7.745   1.746   4.766
    6   HG22  THR  69          HG22      THR  69   7.145   0.231   5.440
    7   HG23  THR  69          HG23      THR  69   6.127   1.170   4.344

  No H/Q in entry =           7
  In of MODEL   13
    1    H    GLU  70           H        GLU  70   7.801   4.814   7.301
    2    HA   GLU  70           HA       GLU  70   9.315   5.703   5.037
    3    HB2  GLU  70           HB2      GLU  70  10.402   5.811   7.824
    4    HB3  GLU  70           HB3      GLU  70  10.467   7.034   6.565
    5    HG2  GLU  70           HG2      GLU  70   8.118   7.509   6.905
    6    HG3  GLU  70           HG3      GLU  70   8.063   6.291   8.173

  No H/Q in entry =           6
  In of MODEL   13
    1    H    PHE  71           H        PHE  71  11.231   4.890   4.333
    2    HA   PHE  71           HA       PHE  71  12.390   2.643   5.693
    3    HB2  PHE  71           HB2      PHE  71  12.209   1.088   3.794
    4    HB3  PHE  71           HB3      PHE  71  10.624   1.528   4.410
    5    HD1  PHE  71           HD1      PHE  71  11.353   0.320   1.707
    6    HD2  PHE  71           HD2      PHE  71  10.693   4.319   2.969
    7    HE1  PHE  71           HE1      PHE  71  10.645   0.904  -0.569
    8    HE2  PHE  71           HE2      PHE  71   9.991   4.922   0.702
    9    HZ   PHE  71           HZ       PHE  71   9.972   3.227  -1.097

  No H/Q in entry =           9
  In of MODEL   13
    1    H    THR  72           H        THR  72  14.416   1.920   4.625
    2    HA   THR  72           HA       THR  72  15.542   3.951   2.828
    3    HB   THR  72           HB       THR  72  17.012   2.337   4.919
    4    HG1  THR  72           HG1      THR  72  15.718   4.061   5.779
    5   HG21  THR  72          HG21      THR  72  18.399   2.819   2.948
    6   HG22  THR  72          HG22      THR  72  18.004   4.532   3.093
    7   HG23  THR  72          HG23      THR  72  18.940   3.732   4.357

  No H/Q in entry =           7
  In of MODEL   13
    1    HA   PRO  73           HA       PRO  73  15.162   0.032   0.386
    2    HB2  PRO  73           HB2      PRO  73  15.788   1.500  -1.946
    3    HB3  PRO  73           HB3      PRO  73  14.165   1.062  -1.385
    4    HG2  PRO  73           HG2      PRO  73  15.677   3.609  -1.056
    5    HG3  PRO  73           HG3      PRO  73  13.936   3.366  -1.306
    6    HD2  PRO  73           HD2      PRO  73  14.910   4.010   1.094
    7    HD3  PRO  73           HD3      PRO  73  13.570   2.847   0.936

  No H/Q in entry =           7
  In of MODEL   13
    1    H    THR  74           H        THR  74  16.662  -1.248  -0.591
    2    HA   THR  74           HA       THR  74  19.366  -0.233  -0.949
    3    HB   THR  74           HB       THR  74  20.389  -2.090   0.225
    4    HG1  THR  74           HG1      THR  74  17.704  -2.957   0.486
    5   HG21  THR  74          HG21      THR  74  19.831  -0.116   1.590
    6   HG22  THR  74          HG22      THR  74  18.274  -0.844   1.983
    7   HG23  THR  74          HG23      THR  74  19.766  -1.602   2.538

  No H/Q in entry =           7
  In of MODEL   13
    1    H    GLU  75           H        GLU  75  20.694  -2.027  -2.050
    2    HA   GLU  75           HA       GLU  75  19.414  -2.981  -4.349
    3    HB2  GLU  75           HB2      GLU  75  21.850  -2.576  -4.045
    4    HB3  GLU  75           HB3      GLU  75  21.943  -4.014  -3.060
    5    HG2  GLU  75           HG2      GLU  75  20.905  -4.171  -5.844
    6    HG3  GLU  75           HG3      GLU  75  22.630  -4.073  -5.535

  No H/Q in entry =           6
  In of MODEL   13
    1    H    LYS  76           H        LYS  76  20.147  -4.549  -1.276
    2    HA   LYS  76           HA       LYS  76  19.584  -7.149  -2.273
    3    HB2  LYS  76           HB2      LYS  76  20.335  -6.160   0.475
    4    HB3  LYS  76           HB3      LYS  76  20.249  -7.853   0.005
    5    HG2  LYS  76           HG2      LYS  76  22.176  -7.760  -1.198
    6    HG3  LYS  76           HG3      LYS  76  21.935  -6.072  -1.644
    7    HD2  LYS  76           HD2      LYS  76  23.782  -6.148  -0.165
    8    HD3  LYS  76           HD3      LYS  76  22.425  -5.454   0.723
    9    HE2  LYS  76           HE2      LYS  76  23.576  -7.033   2.143
   10    HE3  LYS  76           HE3      LYS  76  21.996  -7.692   1.715
   11    HZ1  LYS  76           HZ1      LYS  76  24.502  -8.388   0.291
   12    HZ2  LYS  76           HZ2      LYS  76  23.866  -9.296   1.577
   13    HZ3  LYS  76           HZ3      LYS  76  22.986  -9.131   0.136

  No H/Q in entry =          13
  In of MODEL   13
    1    H    ASP  77           H        ASP  77  17.776  -4.752  -0.438
    2    HA   ASP  77           HA       ASP  77  15.942  -6.890   0.376
    3    HB2  ASP  77           HB2      ASP  77  15.074  -5.428   2.061
    4    HB3  ASP  77           HB3      ASP  77  16.817  -5.334   2.133

  No H/Q in entry =           4
  In of MODEL   13
    1    H    GLU  78           H        GLU  78  13.547  -5.991   0.552
    2    HA   GLU  78           HA       GLU  78  12.665  -4.632  -1.833
    3    HB2  GLU  78           HB2      GLU  78  13.355  -6.848  -2.677
    4    HB3  GLU  78           HB3      GLU  78  12.244  -7.631  -1.568
    5    HG2  GLU  78           HG2      GLU  78  11.266  -7.606  -3.748
    6    HG3  GLU  78           HG3      GLU  78  10.376  -6.435  -2.785

  No H/Q in entry =           6
  In of MODEL   13
    1    H    TYR  79           H        TYR  79  10.401  -4.196  -1.759
    2    HA   TYR  79           HA       TYR  79   9.077  -5.089   0.693
    3    HB2  TYR  79           HB2      TYR  79   8.631  -2.270  -0.258
    4    HB3  TYR  79           HB3      TYR  79   8.389  -2.968   1.346
    5    HD1  TYR  79           HD1      TYR  79  11.218  -2.271  -1.025
    6    HD2  TYR  79           HD2      TYR  79   9.870  -2.413   3.009
    7    HE1  TYR  79           HE1      TYR  79  13.375  -1.375  -0.279
    8    HE2  TYR  79           HE2      TYR  79  12.029  -1.493   3.759
    9    HH   TYR  79           HH       TYR  79  14.624  -1.594   2.457

  No H/Q in entry =           9
  In of MODEL   13
    1    H    ALA  80           H        ALA  80   6.747  -4.891   0.707
    2    HA   ALA  80           HA       ALA  80   5.544  -4.918  -1.976
    3    HB1  ALA  80           HB1      ALA  80   6.356  -7.233  -1.357
    4    HB2  ALA  80           HB2      ALA  80   4.653  -7.091  -1.796
    5    HB3  ALA  80           HB3      ALA  80   5.121  -7.221  -0.102

  No H/Q in entry =           5
  In of MODEL   13
    1    H    CYS  81           H        CYS  81   3.137  -5.050  -1.914
    2    HA   CYS  81           HA       CYS  81   2.037  -4.026   0.631
    3    HB2  CYS  81           HB2      CYS  81   1.464  -3.381  -2.227
    4    HB3  CYS  81           HB3      CYS  81   0.134  -3.308  -1.083

  No H/Q in entry =           4
  In of MODEL   13
    1    H    ARG  82           H        ARG  82   0.445  -5.191   1.567
    2    HA   ARG  82           HA       ARG  82  -0.824  -7.377   0.018
    3    HB2  ARG  82           HB2      ARG  82   0.691  -7.923   2.078
    4    HB3  ARG  82           HB3      ARG  82  -0.640  -7.264   3.010
    5    HG2  ARG  82           HG2      ARG  82  -2.149  -8.933   2.030
    6    HG3  ARG  82           HG3      ARG  82  -0.773  -9.645   1.181
    7    HD2  ARG  82           HD2      ARG  82  -0.677  -9.262   4.150
    8    HD3  ARG  82           HD3      ARG  82  -1.511 -10.653   3.476
    9    HE   ARG  82           HE       ARG  82   0.787 -10.973   2.285
   10   HH11  ARG  82          HH11      ARG  82   0.382  -9.671   5.492
   11   HH12  ARG  82          HH12      ARG  82   1.732 -10.533   6.171
   12   HH21  ARG  82          HH21      ARG  82   2.612 -12.080   3.127
   13   HH22  ARG  82          HH22      ARG  82   3.021 -11.887   4.806

  No H/Q in entry =          13
  In of MODEL   13
    1    H    VAL  83           H        VAL  83  -3.060  -7.304  -0.091
    2    HA   VAL  83           HA       VAL  83  -4.404  -5.666   1.964
    3    HB   VAL  83           HB       VAL  83  -5.889  -4.634   0.545
    4   HG11  VAL  83          HG11      VAL  83  -3.330  -4.856  -0.980
    5   HG12  VAL  83          HG12      VAL  83  -4.588  -3.656  -1.283
    6   HG13  VAL  83          HG13      VAL  83  -3.743  -3.681   0.268
    7   HG21  VAL  83          HG21      VAL  83  -5.184  -6.617  -1.606
    8   HG22  VAL  83          HG22      VAL  83  -6.687  -6.549  -0.683
    9   HG23  VAL  83          HG23      VAL  83  -6.276  -5.246  -1.800

  No H/Q in entry =           9
  In of MODEL   13
    1    H    ASN  84           H        ASN  84  -6.200  -6.443   2.805
    2    HA   ASN  84           HA       ASN  84  -7.095  -9.086   1.895
    3    HB2  ASN  84           HB2      ASN  84  -7.338  -7.934   4.693
    4    HB3  ASN  84           HB3      ASN  84  -7.761  -9.564   4.195
    5   HD21  ASN  84          HD21      ASN  84  -5.076  -7.339   4.575
    6   HD22  ASN  84          HD22      ASN  84  -3.869  -8.549   4.866

  No H/Q in entry =           6
  In of MODEL   13
    1    H    HIS  85           H        HIS  85  -9.065  -9.052   0.960
    2    HA   HIS  85           HA       HIS  85 -11.184  -7.745   2.429
    3    HB2  HIS  85           HB2      HIS  85 -10.255  -6.275   0.430
    4    HB3  HIS  85           HB3      HIS  85 -11.199  -7.400  -0.544
    5    HD2  HIS  85           HD2      HIS  85 -11.847  -4.864   2.405
    6    HE1  HIS  85           HE1      HIS  85 -15.390  -5.432   0.154
    7    HE2  HIS  85           HE2      HIS  85 -14.355  -4.227   2.131

  No H/Q in entry =           7
  In of MODEL   13
    1    H    VAL  86           H        VAL  86 -13.276  -8.587   1.741
    2    HA   VAL  86           HA       VAL  86 -13.137 -11.403   1.689
    3    HB   VAL  86           HB       VAL  86 -15.570 -11.382   1.682
    4   HG11  VAL  86          HG11      VAL  86 -14.383  -9.237   3.434
    5   HG12  VAL  86          HG12      VAL  86 -15.945 -10.011   3.692
    6   HG13  VAL  86          HG13      VAL  86 -14.464 -10.962   3.791
    7   HG21  VAL  86          HG21      VAL  86 -15.867  -9.581   0.022
    8   HG22  VAL  86          HG22      VAL  86 -16.854  -9.344   1.465
    9   HG23  VAL  86          HG23      VAL  86 -15.379  -8.403   1.242

  No H/Q in entry =           9
  In of MODEL   13
    1    H    THR  87           H        THR  87 -13.285  -9.087  -0.844
    2    HA   THR  87           HA       THR  87 -14.658 -10.695  -2.747
    3    HB   THR  87           HB       THR  87 -14.045  -9.005  -4.360
    4    HG1  THR  87           HG1      THR  87 -11.925  -8.556  -3.985
    5   HG21  THR  87          HG21      THR  87 -15.657  -8.475  -2.427
    6   HG22  THR  87          HG22      THR  87 -14.357  -7.446  -1.820
    7   HG23  THR  87          HG23      THR  87 -15.060  -7.137  -3.410

  No H/Q in entry =           7
  In of MODEL   13
    1    H    LEU  88           H        LEU  88 -11.292 -10.001  -2.034
    2    HA   LEU  88           HA       LEU  88 -10.273 -11.349  -4.323
    3    HB2  LEU  88           HB2      LEU  88  -8.923 -10.540  -1.735
    4    HB3  LEU  88           HB3      LEU  88  -8.076 -11.165  -3.137
    5    HG   LEU  88           HG       LEU  88  -9.563  -8.548  -2.922
    6   HD11  LEU  88          HD11      LEU  88  -6.652  -9.205  -3.416
    7   HD12  LEU  88          HD12      LEU  88  -7.359  -7.584  -3.463
    8   HD13  LEU  88          HD13      LEU  88  -7.340  -8.499  -1.943
    9   HD21  LEU  88          HD21      LEU  88  -8.334  -9.858  -5.343
   10   HD22  LEU  88          HD22      LEU  88 -10.040  -9.474  -5.095
   11   HD23  LEU  88          HD23      LEU  88  -8.855  -8.175  -5.265

  No H/Q in entry =          11
  In of MODEL   13
    1    H    SER  89           H        SER  89 -10.067 -13.470  -4.599
    2    HA   SER  89           HA       SER  89 -11.003 -15.399  -2.822
    3    HB2  SER  89           HB2      SER  89  -9.681 -16.992  -4.344
    4    HB3  SER  89           HB3      SER  89 -10.897 -15.973  -5.118
    5    HG   SER  89           HG       SER  89  -8.353 -16.151  -5.742

  No H/Q in entry =           5
  In of MODEL   13
    1    H    GLN  90           H        GLN  90  -7.979 -13.855  -3.085
    2    HA   GLN  90           HA       GLN  90  -7.046 -15.004  -0.606
    3    HB2  GLN  90           HB2      GLN  90  -4.780 -15.520  -1.669
    4    HB3  GLN  90           HB3      GLN  90  -6.045 -16.606  -2.250
    5    HG2  GLN  90           HG2      GLN  90  -6.284 -15.200  -4.263
    6    HG3  GLN  90           HG3      GLN  90  -4.941 -14.200  -3.714
    7   HE21  GLN  90          HE21      GLN  90  -5.201 -15.768  -6.122
    8   HE22  GLN  90          HE22      GLN  90  -3.887 -16.901  -6.113

  No H/Q in entry =           8
  In of MODEL   13
    1    HA   PRO  91           HA       PRO  91  -5.961 -10.627  -0.097
    2    HB2  PRO  91           HB2      PRO  91  -3.641 -12.021   1.234
    3    HB3  PRO  91           HB3      PRO  91  -4.497 -10.543   1.727
    4    HG2  PRO  91           HG2      PRO  91  -5.115 -12.801   2.914
    5    HG3  PRO  91           HG3      PRO  91  -6.420 -11.717   2.363
    6    HD2  PRO  91           HD2      PRO  91  -5.443 -14.304   1.180
    7    HD3  PRO  91           HD3      PRO  91  -7.111 -13.655   1.235

  No H/Q in entry =           7
  In of MODEL   13
    1    H    LYS  92           H        LYS  92  -4.427  -9.194  -0.977
    2    HA   LYS  92           HA       LYS  92  -3.152 -10.492  -3.279
    3    HB2  LYS  92           HB2      LYS  92  -5.136  -9.044  -3.749
    4    HB3  LYS  92           HB3      LYS  92  -4.222  -7.678  -3.124
    5    HG2  LYS  92           HG2      LYS  92  -4.086  -7.708  -5.526
    6    HG3  LYS  92           HG3      LYS  92  -2.501  -8.087  -4.827
    7    HD2  LYS  92           HD2      LYS  92  -2.817  -9.639  -6.574
    8    HD3  LYS  92           HD3      LYS  92  -3.121 -10.511  -5.070
    9    HE2  LYS  92           HE2      LYS  92  -5.559 -10.120  -5.420
   10    HE3  LYS  92           HE3      LYS  92  -5.172  -9.447  -7.004
   11    HZ1  LYS  92           HZ1      LYS  92  -4.130 -11.583  -7.574
   12    HZ2  LYS  92           HZ2      LYS  92  -4.618 -12.212  -6.077
   13    HZ3  LYS  92           HZ3      LYS  92  -5.785 -11.747  -7.218

  No H/Q in entry =          13
  In of MODEL   13
    1    H    ILE  93           H        ILE  93  -1.047 -10.238  -3.540
    2    HA   ILE  93           HA       ILE  93   0.274  -8.062  -2.067
    3    HB   ILE  93           HB       ILE  93   1.429 -10.700  -2.956
    4   HG12  ILE  93          HG12      ILE  93   1.983 -10.750  -0.406
    5   HG13  ILE  93          HG13      ILE  93   0.712  -9.548  -0.276
    6   HG21  ILE  93          HG21      ILE  93   3.030  -8.876  -3.291
    7   HG22  ILE  93          HG22      ILE  93   2.842  -8.419  -1.597
    8   HG23  ILE  93          HG23      ILE  93   3.543  -9.982  -2.014
    9   HD11  ILE  93          HD11      ILE  93   0.400 -12.318  -1.404
   10   HD12  ILE  93          HD12      ILE  93  -0.098 -11.787   0.202
   11   HD13  ILE  93          HD13      ILE  93  -0.878 -11.117  -1.230

  No H/Q in entry =          11
  In of MODEL   13
    1    H    VAL  94           H        VAL  94   1.198  -6.553  -3.199
    2    HA   VAL  94           HA       VAL  94   2.149  -7.140  -5.914
    3    HB   VAL  94           HB       VAL  94   0.836  -4.576  -4.973
    4   HG11  VAL  94          HG11      VAL  94   2.770  -4.101  -6.410
    5   HG12  VAL  94          HG12      VAL  94   2.109  -5.175  -7.643
    6   HG13  VAL  94          HG13      VAL  94   1.249  -3.700  -7.205
    7   HG21  VAL  94          HG21      VAL  94  -0.715  -6.379  -5.562
    8   HG22  VAL  94          HG22      VAL  94  -0.799  -5.045  -6.712
    9   HG23  VAL  94          HG23      VAL  94   0.060  -6.524  -7.139

  No H/Q in entry =           9
  In of MODEL   13
    1    H    LYS  95           H        LYS  95   4.227  -6.617  -6.230
    2    HA   LYS  95           HA       LYS  95   5.673  -5.785  -3.862
    3    HB2  LYS  95           HB2      LYS  95   7.339  -7.066  -4.642
    4    HB3  LYS  95           HB3      LYS  95   6.199  -7.623  -5.851
    5    HG2  LYS  95           HG2      LYS  95   7.109  -6.278  -7.501
    6    HG3  LYS  95           HG3      LYS  95   7.875  -5.193  -6.329
    7    HD2  LYS  95           HD2      LYS  95   9.108  -7.378  -5.591
    8    HD3  LYS  95           HD3      LYS  95   8.704  -7.907  -7.220
    9    HE2  LYS  95           HE2      LYS  95  10.966  -6.675  -6.672
   10    HE3  LYS  95           HE3      LYS  95  10.124  -6.417  -8.204
   11    HZ1  LYS  95           HZ1      LYS  95   9.078  -4.436  -7.101
   12    HZ2  LYS  95           HZ2      LYS  95  10.155  -4.653  -5.809
   13    HZ3  LYS  95           HZ3      LYS  95  10.742  -4.308  -7.363

  No H/Q in entry =          13
  In of MODEL   13
    1    H    TRP  96           H        TRP  96   7.064  -4.029  -3.777
    2    HA   TRP  96           HA       TRP  96   5.957  -1.715  -4.994
    3    HB2  TRP  96           HB2      TRP  96   6.910  -1.597  -2.756
    4    HB3  TRP  96           HB3      TRP  96   8.496  -2.087  -3.354
    5    HD1  TRP  96           HD1      TRP  96   6.024   0.837  -4.088
    6    HE1  TRP  96           HE1      TRP  96   7.402   2.991  -4.276
    7    HE3  TRP  96           HE3      TRP  96  10.687  -1.128  -3.406
    8    HZ2  TRP  96           HZ2      TRP  96  10.107   3.770  -4.139
    9    HZ3  TRP  96           HZ3      TRP  96  12.626   0.382  -3.454
   10    HH2  TRP  96           HH2      TRP  96  12.335   2.800  -3.824

  No H/Q in entry =          10
  In of MODEL   13
    1    H    ASP  97           H        ASP  97   6.251  -1.122  -7.017
    2    HA   ASP  97           HA       ASP  97   8.877  -1.609  -8.241
    3    HB2  ASP  97           HB2      ASP  97   7.847  -1.360 -10.427
    4    HB3  ASP  97           HB3      ASP  97   6.981  -2.590  -9.503

  No H/Q in entry =           4
  In of MODEL   13
    1    H    ARG  98           H        ARG  98  10.154  -0.024  -8.607
    2    HA   ARG  98           HA       ARG  98   9.244   2.684  -8.088
    3    HB2  ARG  98           HB2      ARG  98  11.621   3.243  -8.042
    4    HB3  ARG  98           HB3      ARG  98  11.271   1.919  -6.967
    5    HG2  ARG  98           HG2      ARG  98  12.759   0.614  -7.923
    6    HG3  ARG  98           HG3      ARG  98  12.006   0.828  -9.502
    7    HD2  ARG  98           HD2      ARG  98  13.559   3.158  -8.906
    8    HD3  ARG  98           HD3      ARG  98  14.545   1.735  -8.579
    9    HE   ARG  98           HE       ARG  98  13.251   1.494 -11.079
   10   HH11  ARG  98          HH11      ARG  98  15.905   3.136  -9.482
   11   HH12  ARG  98          HH12      ARG  98  16.764   3.452 -10.960
   12   HH21  ARG  98          HH21      ARG  98  14.396   1.913 -13.039
   13   HH22  ARG  98          HH22      ARG  98  15.907   2.776 -12.972

  No H/Q in entry =          13
  In of MODEL   13
    1    H    ASP  99           H        ASP  99  10.712   0.762 -10.605
    2    HA   ASP  99           HA       ASP  99   9.637   2.552 -12.633
    3    HB2  ASP  99           HB2      ASP  99  11.832   3.503 -12.218
    4    HB3  ASP  99           HB3      ASP  99  12.574   1.914 -12.352

  No H/Q in entry =           4
  In of MODEL   13
    1    H    MET 100           H        MET 100  10.272  -0.490 -11.492
    2    HA   MET 100           HA       MET 100  10.405  -1.695 -14.178
    3    HB2  MET 100           HB2      MET 100  11.336  -3.083 -11.672
    4    HB3  MET 100           HB3      MET 100  11.784  -3.405 -13.345
    5    HG2  MET 100           HG2      MET 100  13.130  -1.446 -13.440
    6    HG3  MET 100           HG3      MET 100  12.521  -0.899 -11.870
    7    HE1  MET 100           HE1      MET 100  15.651  -1.130 -12.710
    8    HE2  MET 100           HE2      MET 100  15.106  -0.514 -11.150
    9    HE3  MET 100           HE3      MET 100  16.329  -1.784 -11.219

  No H/Q in entry =           9
  In of MODEL   14
    1    HA   ILE   2           HA       ILE   2 -21.961  -9.381  -4.929
    2    HB   ILE   2           HB       ILE   2 -22.465 -10.059  -2.457
    3   HG12  ILE   2          HG12      ILE   2 -21.769 -12.512  -2.125
    4   HG13  ILE   2          HG13      ILE   2 -20.522 -12.206  -3.324
    5   HG21  ILE   2          HG21      ILE   2 -22.814 -11.945  -4.775
    6   HG22  ILE   2          HG22      ILE   2 -23.727 -12.006  -3.267
    7   HG23  ILE   2          HG23      ILE   2 -23.875 -10.607  -4.331
    8   HD11  ILE   2          HD11      ILE   2 -19.599 -10.445  -1.886
    9   HD12  ILE   2          HD12      ILE   2 -20.835 -10.804  -0.679
   10   HD13  ILE   2          HD13      ILE   2 -19.626 -12.020  -1.093

  No H/Q in entry =          10
  In of MODEL   14
    1    H    GLN   3           H        GLN   3 -19.817  -7.946  -5.153
    2    HA   GLN   3           HA       GLN   3 -19.704  -5.942  -3.301
    3    HB2  GLN   3           HB2      GLN   3 -18.964  -7.694  -1.669
    4    HB3  GLN   3           HB3      GLN   3 -17.588  -8.043  -2.688
    5    HG2  GLN   3           HG2      GLN   3 -16.931  -6.693  -0.796
    6    HG3  GLN   3           HG3      GLN   3 -16.719  -5.788  -2.294
    7   HE21  GLN   3          HE21      GLN   3 -18.523  -6.074   0.655
    8   HE22  GLN   3          HE22      GLN   3 -19.311  -4.540   0.557

  No H/Q in entry =           8
  In of MODEL   14
    1    H    ARG   4           H        ARG   4 -17.216  -4.891  -3.458
    2    HA   ARG   4           HA       ARG   4 -16.582  -5.131  -6.323
    3    HB2  ARG   4           HB2      ARG   4 -17.778  -3.034  -5.927
    4    HB3  ARG   4           HB3      ARG   4 -16.679  -2.628  -4.613
    5    HG2  ARG   4           HG2      ARG   4 -14.911  -2.112  -6.047
    6    HG3  ARG   4           HG3      ARG   4 -15.602  -3.038  -7.392
    7    HD2  ARG   4           HD2      ARG   4 -15.747  -0.615  -7.761
    8    HD3  ARG   4           HD3      ARG   4 -17.350  -1.347  -7.672
    9    HE   ARG   4           HE       ARG   4 -16.955  -0.531  -5.142
   10   HH11  ARG   4          HH11      ARG   4 -16.604   1.091  -8.224
   11   HH12  ARG   4          HH12      ARG   4 -16.868   2.683  -7.562
   12   HH21  ARG   4          HH21      ARG   4 -17.320   1.567  -4.270
   13   HH22  ARG   4          HH22      ARG   4 -17.286   2.943  -5.326

  No H/Q in entry =          13
  In of MODEL   14
    1    H    THR   5           H        THR   5 -14.425  -5.187  -6.866
    2    HA   THR   5           HA       THR   5 -12.705  -6.079  -4.766
    3    HB   THR   5           HB       THR   5 -11.149  -6.717  -6.463
    4    HG1  THR   5           HG1      THR   5 -11.823  -4.513  -7.639
    5   HG21  THR   5          HG21      THR   5 -14.005  -7.058  -7.364
    6   HG22  THR   5          HG22      THR   5 -12.646  -7.830  -8.183
    7   HG23  THR   5          HG23      THR   5 -12.984  -8.204  -6.498

  No H/Q in entry =           7
  In of MODEL   14
    1    HA   PRO   6           HA       PRO   6 -10.649  -2.076  -4.253
    2    HB2  PRO   6           HB2      PRO   6  -8.948  -3.411  -2.319
    3    HB3  PRO   6           HB3      PRO   6 -10.152  -2.152  -2.040
    4    HG2  PRO   6           HG2      PRO   6 -10.418  -4.756  -1.194
    5    HG3  PRO   6           HG3      PRO   6 -11.783  -3.654  -1.489
    6    HD2  PRO   6           HD2      PRO   6 -10.708  -5.869  -3.196
    7    HD3  PRO   6           HD3      PRO   6 -12.381  -5.305  -2.972

  No H/Q in entry =           7
  In of MODEL   14
    1    H    LYS   7           H        LYS   7  -9.012  -1.457  -5.539
    2    HA   LYS   7           HA       LYS   7  -7.265  -3.567  -6.579
    3    HB2  LYS   7           HB2      LYS   7  -8.650  -2.155  -8.142
    4    HB3  LYS   7           HB3      LYS   7  -7.686  -0.769  -7.657
    5    HG2  LYS   7           HG2      LYS   7  -5.680  -1.855  -8.529
    6    HG3  LYS   7           HG3      LYS   7  -6.649  -3.248  -9.014
    7    HD2  LYS   7           HD2      LYS   7  -7.994  -1.745 -10.458
    8    HD3  LYS   7           HD3      LYS   7  -6.900  -0.424 -10.044
    9    HE2  LYS   7           HE2      LYS   7  -5.030  -1.683 -10.990
   10    HE3  LYS   7           HE3      LYS   7  -6.129  -2.998 -11.407
   11    HZ1  LYS   7           HZ1      LYS   7  -7.373  -1.355 -12.784
   12    HZ2  LYS   7           HZ2      LYS   7  -6.121  -0.243 -12.508
   13    HZ3  LYS   7           HZ3      LYS   7  -5.804  -1.687 -13.340

  No H/Q in entry =          13
  In of MODEL   14
    1    H    ILE   8           H        ILE   8  -4.996  -3.192  -6.821
    2    HA   ILE   8           HA       ILE   8  -3.991  -1.770  -4.488
    3    HB   ILE   8           HB       ILE   8  -2.216  -3.403  -6.243
    4   HG12  ILE   8          HG12      ILE   8  -4.189  -4.820  -6.014
    5   HG13  ILE   8          HG13      ILE   8  -2.871  -5.457  -5.040
    6   HG21  ILE   8          HG21      ILE   8  -1.281  -2.202  -4.343
    7   HG22  ILE   8          HG22      ILE   8  -2.412  -3.010  -3.257
    8   HG23  ILE   8          HG23      ILE   8  -1.170  -3.944  -4.089
    9   HD11  ILE   8          HD11      ILE   8  -3.882  -4.478  -3.050
   10   HD12  ILE   8          HD12      ILE   8  -5.214  -3.869  -4.033
   11   HD13  ILE   8          HD13      ILE   8  -4.968  -5.609  -3.859

  No H/Q in entry =          11
  In of MODEL   14
    1    H    GLN   9           H        GLN   9  -2.916   0.049  -4.608
    2    HA   GLN   9           HA       GLN   9  -1.311   0.621  -6.996
    3    HB2  GLN   9           HB2      GLN   9  -3.159   2.512  -5.535
    4    HB3  GLN   9           HB3      GLN   9  -1.897   3.062  -6.646
    5    HG2  GLN   9           HG2      GLN   9  -2.981   2.043  -8.492
    6    HG3  GLN   9           HG3      GLN   9  -4.101   1.175  -7.442
    7   HE21  GLN   9          HE21      GLN   9  -4.507   3.459  -5.696
    8   HE22  GLN   9          HE22      GLN   9  -5.529   4.555  -6.565

  No H/Q in entry =           8
  In of MODEL   14
    1    H    VAL  10           H        VAL  10   0.755   0.713  -6.332
    2    HA   VAL  10           HA       VAL  10   1.331   2.111  -3.828
    3    HB   VAL  10           HB       VAL  10   1.517  -0.090  -3.032
    4   HG11  VAL  10          HG11      VAL  10   1.335  -1.195  -5.234
    5   HG12  VAL  10          HG12      VAL  10   3.053  -0.895  -5.492
    6   HG13  VAL  10          HG13      VAL  10   2.527  -1.938  -4.167
    7   HG21  VAL  10          HG21      VAL  10   4.274   0.708  -3.949
    8   HG22  VAL  10          HG22      VAL  10   3.478   1.200  -2.455
    9   HG23  VAL  10          HG23      VAL  10   3.923  -0.490  -2.703

  No H/Q in entry =           9
  In of MODEL   14
    1    H    TYR  11           H        TYR  11   2.904   3.536  -3.983
    2    HA   TYR  11           HA       TYR  11   5.024   3.278  -5.912
    3    HB2  TYR  11           HB2      TYR  11   4.532   5.464  -7.023
    4    HB3  TYR  11           HB3      TYR  11   3.355   4.210  -7.393
    5    HD1  TYR  11           HD1      TYR  11   1.068   4.400  -6.658
    6    HD2  TYR  11           HD2      TYR  11   3.921   7.377  -5.615
    7    HE1  TYR  11           HE1      TYR  11  -0.756   5.897  -5.976
    8    HE2  TYR  11           HE2      TYR  11   2.104   8.885  -4.926
    9    HH   TYR  11           HH       TYR  11  -1.016   7.876  -4.388

  No H/Q in entry =           9
  In of MODEL   14
    1    H    SER  12           H        SER  12   6.569   5.096  -5.741
    2    HA   SER  12           HA       SER  12   7.046   5.706  -2.994
    3    HB2  SER  12           HB2      SER  12   8.934   7.080  -4.457
    4    HB3  SER  12           HB3      SER  12   9.070   5.353  -4.082
    5    HG   SER  12           HG       SER  12   9.031   6.396  -6.442

  No H/Q in entry =           5
  In of MODEL   14
    1    H    ARG  13           H        ARG  13   6.724   7.601  -1.902
    2    HA   ARG  13           HA       ARG  13   5.061   9.625  -3.004
    3    HB2  ARG  13           HB2      ARG  13   5.380   9.025  -0.529
    4    HB3  ARG  13           HB3      ARG  13   6.893   9.901  -0.602
    5    HG2  ARG  13           HG2      ARG  13   4.280  11.258  -1.229
    6    HG3  ARG  13           HG3      ARG  13   4.884  11.077   0.410
    7    HD2  ARG  13           HD2      ARG  13   6.352  12.434  -1.844
    8    HD3  ARG  13           HD3      ARG  13   5.462  13.248  -0.561
    9    HE   ARG  13           HE       ARG  13   7.911  11.658  -0.163
   10   HH11  ARG  13          HH11      ARG  13   5.699  14.184   0.860
   11   HH12  ARG  13          HH12      ARG  13   6.753  14.746   2.129
   12   HH21  ARG  13          HH21      ARG  13   9.286  12.410   1.494
   13   HH22  ARG  13          HH22      ARG  13   8.775  13.752   2.478

  No H/Q in entry =          13
  In of MODEL   14
    1    H    HIS  14           H        HIS  14   8.537   9.567  -2.332
    2    HA   HIS  14           HA       HIS  14   8.857  11.667  -4.355
    3    HB2  HIS  14           HB2      HIS  14  10.220  11.299  -1.714
    4    HB3  HIS  14           HB3      HIS  14  11.139  12.021  -3.034
    5    HD2  HIS  14           HD2      HIS  14   7.926  13.464  -3.813
    6    HE1  HIS  14           HE1      HIS  14   9.327  15.882  -0.639
    7    HE2  HIS  14           HE2      HIS  14   7.800  15.781  -2.658

  No H/Q in entry =           7
  In of MODEL   14
    1    HA   PRO  15           HA       PRO  15  11.577   9.123  -6.764
    2    HB2  PRO  15           HB2      PRO  15  14.179  10.083  -6.424
    3    HB3  PRO  15           HB3      PRO  15  13.011  10.649  -7.632
    4    HG2  PRO  15           HG2      PRO  15  13.738  11.868  -4.973
    5    HG3  PRO  15           HG3      PRO  15  13.303  12.670  -6.520
    6    HD2  PRO  15           HD2      PRO  15  11.549  12.483  -4.468
    7    HD3  PRO  15           HD3      PRO  15  11.016  12.370  -6.171

  No H/Q in entry =           7
  In of MODEL   14
    1    H    ALA  16           H        ALA  16  12.615   7.216  -6.590
    2    HA   ALA  16           HA       ALA  16  13.254   6.255  -3.959
    3    HB1  ALA  16           HB1      ALA  16  12.089   4.825  -5.557
    4    HB2  ALA  16           HB2      ALA  16  13.477   4.893  -6.639
    5    HB3  ALA  16           HB3      ALA  16  13.622   4.107  -5.069

  No H/Q in entry =           5
  In of MODEL   14
    1    H    GLU  17           H        GLU  17  15.172   6.806  -3.087
    2    HA   GLU  17           HA       GLU  17  17.535   6.504  -4.796
    3    HB2  GLU  17           HB2      GLU  17  16.890   8.731  -3.440
    4    HB3  GLU  17           HB3      GLU  17  17.725   7.879  -2.152
    5    HG2  GLU  17           HG2      GLU  17  18.947   8.388  -4.845
    6    HG3  GLU  17           HG3      GLU  17  19.095   9.509  -3.512

  No H/Q in entry =           6
  In of MODEL   14
    1    H    ASN  18           H        ASN  18  18.782   4.900  -4.395
    2    HA   ASN  18           HA       ASN  18  18.029   3.050  -2.280
    3    HB2  ASN  18           HB2      ASN  18  20.121   2.730  -4.460
    4    HB3  ASN  18           HB3      ASN  18  19.713   1.511  -3.270
    5   HD21  ASN  18          HD21      ASN  18  19.679   1.133  -6.038
    6   HD22  ASN  18          HD22      ASN  18  18.055   0.723  -6.517

  No H/Q in entry =           6
  In of MODEL   14
    1    H    GLY  19           H        GLY  19  18.936   3.039  -0.350
    2    HA2  GLY  19           HA2      GLY  19  21.642   4.091  -0.017
    3    HA3  GLY  19           HA3      GLY  19  20.645   3.325   1.232

  No H/Q in entry =           3
  In of MODEL   14
    1    H    LYS  20           H        LYS  20  18.341   5.023   0.326
    2    HA   LYS  20           HA       LYS  20  19.060   7.438   1.824
    3    HB2  LYS  20           HB2      LYS  20  18.701   7.433  -0.935
    4    HB3  LYS  20           HB3      LYS  20  17.136   7.931  -0.310
    5    HG2  LYS  20           HG2      LYS  20  18.411   9.885  -0.748
    6    HG3  LYS  20           HG3      LYS  20  18.292   9.702   1.004
    7    HD2  LYS  20           HD2      LYS  20  20.537   8.420   0.722
    8    HD3  LYS  20           HD3      LYS  20  20.647   9.289  -0.799
    9    HE2  LYS  20           HE2      LYS  20  21.851  10.527   0.891
   10    HE3  LYS  20           HE3      LYS  20  20.400  11.430   0.454
   11    HZ1  LYS  20           HZ1      LYS  20  20.703   9.698   2.853
   12    HZ2  LYS  20           HZ2      LYS  20  20.749  11.395   2.843
   13    HZ3  LYS  20           HZ3      LYS  20  19.320  10.583   2.436

  No H/Q in entry =          13
  In of MODEL   14
    1    H    SER  21           H        SER  21  17.310   8.443   2.819
    2    HA   SER  21           HA       SER  21  15.181   6.611   3.542
    3    HB2  SER  21           HB2      SER  21  15.835   9.403   4.461
    4    HB3  SER  21           HB3      SER  21  14.583   8.384   5.164
    5    HG   SER  21           HG       SER  21  16.993   7.121   5.007

  No H/Q in entry =           5
  In of MODEL   14
    1    H    ASN  22           H        ASN  22  13.100   6.774   2.979
    2    HA   ASN  22           HA       ASN  22  12.106   9.109   1.540
    3    HB2  ASN  22           HB2      ASN  22  13.202   7.360  -0.108
    4    HB3  ASN  22           HB3      ASN  22  11.778   6.395   0.248
    5   HD21  ASN  22          HD21      ASN  22  11.226   6.562  -1.973
    6   HD22  ASN  22          HD22      ASN  22  10.497   7.993  -2.610

  No H/Q in entry =           6
  In of MODEL   14
    1    H    PHE  23           H        PHE  23   9.704   8.537   0.852
    2    HA   PHE  23           HA       PHE  23   8.481   7.099   3.112
    3    HB2  PHE  23           HB2      PHE  23   7.523   9.577   1.669
    4    HB3  PHE  23           HB3      PHE  23   6.521   8.649   2.764
    5    HD1  PHE  23           HD1      PHE  23  10.081   9.742   3.068
    6    HD2  PHE  23           HD2      PHE  23   6.106  10.004   4.562
    7    HE1  PHE  23           HE1      PHE  23  10.876  11.136   4.928
    8    HE2  PHE  23           HE2      PHE  23   6.897  11.398   6.432
    9    HZ   PHE  23           HZ       PHE  23   9.288  11.960   6.617

  No H/Q in entry =           9
  In of MODEL   14
    1    H    LEU  24           H        LEU  24   7.311   5.396   2.536
    2    HA   LEU  24           HA       LEU  24   6.786   4.786  -0.239
    3    HB2  LEU  24           HB2      LEU  24   7.121   3.357   2.103
    4    HB3  LEU  24           HB3      LEU  24   5.418   3.150   1.750
    5    HG   LEU  24           HG       LEU  24   7.777   2.323   0.035
    6   HD11  LEU  24          HD11      LEU  24   7.251   0.855   1.901
    7   HD12  LEU  24          HD12      LEU  24   5.569   0.765   1.384
    8   HD13  LEU  24          HD13      LEU  24   6.842   0.084   0.369
    9   HD21  LEU  24          HD21      LEU  24   4.837   2.283  -0.645
   10   HD22  LEU  24          HD22      LEU  24   6.138   3.093  -1.521
   11   HD23  LEU  24          HD23      LEU  24   6.066   1.335  -1.484

  No H/Q in entry =          11
  In of MODEL   14
    1    H    ASN  25           H        ASN  25   4.616   4.252  -1.000
    2    HA   ASN  25           HA       ASN  25   2.421   5.332   0.590
    3    HB2  ASN  25           HB2      ASN  25   2.966   7.200  -0.807
    4    HB3  ASN  25           HB3      ASN  25   3.098   6.178  -2.235
    5   HD21  ASN  25          HD21      ASN  25   1.006   7.859  -0.090
    6   HD22  ASN  25          HD22      ASN  25  -0.450   7.639  -1.002

  No H/Q in entry =           6
  In of MODEL   14
    1    H    CYS  26           H        CYS  26   0.693   4.043   0.568
    2    HA   CYS  26           HA       CYS  26   0.288   2.216  -1.694
    3    HB2  CYS  26           HB2      CYS  26   1.342   1.203   0.475
    4    HB3  CYS  26           HB3      CYS  26  -0.314   1.299   1.090

  No H/Q in entry =           4
  In of MODEL   14
    1    H    TYR  27           H        TYR  27  -1.662   2.427  -2.530
    2    HA   TYR  27           HA       TYR  27  -3.750   3.809  -0.954
    3    HB2  TYR  27           HB2      TYR  27  -2.574   4.441  -3.579
    4    HB3  TYR  27           HB3      TYR  27  -4.326   4.388  -3.589
    5    HD1  TYR  27           HD1      TYR  27  -5.610   5.986  -2.130
    6    HD2  TYR  27           HD2      TYR  27  -1.396   6.273  -2.632
    7    HE1  TYR  27           HE1      TYR  27  -5.686   8.334  -1.405
    8    HE2  TYR  27           HE2      TYR  27  -1.465   8.613  -1.892
    9    HH   TYR  27           HH       TYR  27  -4.190  10.018  -0.431

  No H/Q in entry =           9
  In of MODEL   14
    1    H    VAL  28           H        VAL  28  -5.097   2.101  -0.503
    2    HA   VAL  28           HA       VAL  28  -5.921   0.441  -2.790
    3    HB   VAL  28           HB       VAL  28  -6.524  -0.238   0.077
    4   HG11  VAL  28          HG11      VAL  28  -6.254  -1.849  -2.451
    5   HG12  VAL  28          HG12      VAL  28  -6.572  -2.526  -0.854
    6   HG13  VAL  28          HG13      VAL  28  -7.751  -1.454  -1.604
    7   HG21  VAL  28          HG21      VAL  28  -4.016  -0.928  -1.452
    8   HG22  VAL  28          HG22      VAL  28  -4.125   0.021   0.034
    9   HG23  VAL  28          HG23      VAL  28  -4.520  -1.701   0.053

  No H/Q in entry =           9
  In of MODEL   14
    1    H    SER  29           H        SER  29  -7.839   0.950  -3.640
    2    HA   SER  29           HA       SER  29  -9.995   1.891  -1.940
    3    HB2  SER  29           HB2      SER  29  -8.493   3.868  -2.620
    4    HB3  SER  29           HB3      SER  29  -9.170   3.647  -4.229
    5    HG   SER  29           HG       SER  29 -10.560   4.262  -1.831

  No H/Q in entry =           5
  In of MODEL   14
    1    H    GLY  30           H        GLY  30 -11.841   2.725  -3.542
    2    HA2  GLY  30           HA2      GLY  30 -12.057   1.053  -5.915
    3    HA3  GLY  30           HA3      GLY  30 -13.185   2.304  -5.408

  No H/Q in entry =           3
  In of MODEL   14
    1    H    PHE  31           H        PHE  31 -13.091   1.102  -2.633
    2    HA   PHE  31           HA       PHE  31 -14.745  -1.273  -3.191
    3    HB2  PHE  31           HB2      PHE  31 -13.780  -2.352  -1.228
    4    HB3  PHE  31           HB3      PHE  31 -12.498  -1.864  -2.355
    5    HD1  PHE  31           HD1      PHE  31 -10.983  -0.053  -1.804
    6    HD2  PHE  31           HD2      PHE  31 -14.018  -1.270   0.917
    7    HE1  PHE  31           HE1      PHE  31  -9.866   1.190  -0.003
    8    HE2  PHE  31           HE2      PHE  31 -12.899  -0.032   2.721
    9    HZ   PHE  31           HZ       PHE  31 -10.825   1.203   2.263

  No H/Q in entry =           9
  In of MODEL   14
    1    H    HIS  32           H        HIS  32 -15.613  -2.008  -0.860
    2    HA   HIS  32           HA       HIS  32 -16.684   0.154   0.736
    3    HB2  HIS  32           HB2      HIS  32 -18.420  -1.127  -1.296
    4    HB3  HIS  32           HB3      HIS  32 -19.047  -1.287   0.342
    5    HD2  HIS  32           HD2      HIS  32 -17.593   1.813  -1.666
    6    HE1  HIS  32           HE1      HIS  32 -21.130   2.878   0.396
    7    HE2  HIS  32           HE2      HIS  32 -19.168   3.742  -0.950

  No H/Q in entry =           7
  In of MODEL   14
    1    HA   PRO  33           HA       PRO  33 -18.977  -0.327   2.324
    2    HB2  PRO  33           HB2      PRO  33 -18.049  -0.382   5.120
    3    HB3  PRO  33           HB3      PRO  33 -19.684  -0.544   4.470
    4    HG2  PRO  33           HG2      PRO  33 -18.380  -2.643   5.497
    5    HG3  PRO  33           HG3      PRO  33 -19.447  -2.815   4.090
    6    HD2  PRO  33           HD2      PRO  33 -16.455  -2.662   4.197
    7    HD3  PRO  33           HD3      PRO  33 -17.494  -3.725   3.220

  No H/Q in entry =           7
  In of MODEL   14
    1    H    SER  34           H        SER  34 -16.217   0.122   4.670
    2    HA   SER  34           HA       SER  34 -15.260   2.326   3.078
    3    HB2  SER  34           HB2      SER  34 -15.469   3.937   4.923
    4    HB3  SER  34           HB3      SER  34 -17.061   3.329   4.468
    5    HG   SER  34           HG       SER  34 -16.707   1.748   6.242

  No H/Q in entry =           5
  In of MODEL   14
    1    H    ASP  35           H        ASP  35 -14.447  -0.364   4.144
    2    HA   ASP  35           HA       ASP  35 -12.037   0.424   5.591
    3    HB2  ASP  35           HB2      ASP  35 -12.410  -1.201   7.388
    4    HB3  ASP  35           HB3      ASP  35 -13.763  -0.070   7.345

  No H/Q in entry =           4
  In of MODEL   14
    1    H    ILE  36           H        ILE  36 -10.318  -0.721   5.053
    2    HA   ILE  36           HA       ILE  36 -10.525  -3.523   4.282
    3    HB   ILE  36           HB       ILE  36 -10.468  -2.095   2.126
    4   HG12  ILE  36          HG12      ILE  36  -8.578  -4.311   2.838
    5   HG13  ILE  36          HG13      ILE  36  -9.991  -4.353   1.794
    6   HG21  ILE  36          HG21      ILE  36  -7.645  -1.683   3.102
    7   HG22  ILE  36          HG22      ILE  36  -8.200  -1.333   1.463
    8   HG23  ILE  36          HG23      ILE  36  -8.851  -0.426   2.825
    9   HD11  ILE  36          HD11      ILE  36  -7.374  -3.031   1.108
   10   HD12  ILE  36          HD12      ILE  36  -7.883  -4.626   0.561
   11   HD13  ILE  36          HD13      ILE  36  -8.774  -3.191   0.050

  No H/Q in entry =          11
  In of MODEL   14
    1    H    GLU  37           H        GLU  37  -8.460  -4.633   4.616
    2    HA   GLU  37           HA       GLU  37  -6.615  -3.058   6.264
    3    HB2  GLU  37           HB2      GLU  37  -7.821  -5.071   7.294
    4    HB3  GLU  37           HB3      GLU  37  -6.841  -6.053   6.218
    5    HG2  GLU  37           HG2      GLU  37  -5.960  -5.841   8.553
    6    HG3  GLU  37           HG3      GLU  37  -4.825  -5.375   7.289

  No H/Q in entry =           6
  In of MODEL   14
    1    H    VAL  38           H        VAL  38  -4.754  -2.645   5.381
    2    HA   VAL  38           HA       VAL  38  -3.655  -4.505   3.421
    3    HB   VAL  38           HB       VAL  38  -3.943  -3.067   1.755
    4   HG11  VAL  38          HG11      VAL  38  -5.722  -2.012   2.967
    5   HG12  VAL  38          HG12      VAL  38  -4.579  -0.938   3.774
    6   HG13  VAL  38          HG13      VAL  38  -4.827  -0.812   2.030
    7   HG21  VAL  38          HG21      VAL  38  -2.028  -1.276   3.252
    8   HG22  VAL  38          HG22      VAL  38  -1.601  -2.526   2.089
    9   HG23  VAL  38          HG23      VAL  38  -2.469  -1.084   1.552

  No H/Q in entry =           9
  In of MODEL   14
    1    H    ASP  39           H        ASP  39  -1.567  -4.875   3.553
    2    HA   ASP  39           HA       ASP  39  -0.111  -3.565   5.744
    3    HB2  ASP  39           HB2      ASP  39  -0.087  -5.482   6.917
    4    HB3  ASP  39           HB3      ASP  39  -1.115  -6.214   5.696

  No H/Q in entry =           4
  In of MODEL   14
    1    H    LEU  40           H        LEU  40   2.083  -3.351   5.460
    2    HA   LEU  40           HA       LEU  40   2.939  -3.620   2.677
    3    HB2  LEU  40           HB2      LEU  40   4.292  -2.054   4.859
    4    HB3  LEU  40           HB3      LEU  40   4.600  -1.952   3.139
    5    HG   LEU  40           HG       LEU  40   2.150  -0.971   4.603
    6   HD11  LEU  40          HD11      LEU  40   4.135   0.414   4.905
    7   HD12  LEU  40          HD12      LEU  40   4.360   0.493   3.154
    8   HD13  LEU  40          HD13      LEU  40   2.941   1.236   3.896
    9   HD21  LEU  40          HD21      LEU  40   2.778  -0.951   1.657
   10   HD22  LEU  40          HD22      LEU  40   1.434  -1.769   2.457
   11   HD23  LEU  40          HD23      LEU  40   1.498  -0.003   2.420

  No H/Q in entry =          11
  In of MODEL   14
    1    H    LEU  41           H        LEU  41   4.815  -4.681   2.135
    2    HA   LEU  41           HA       LEU  41   5.919  -6.423   4.244
    3    HB2  LEU  41           HB2      LEU  41   6.034  -7.138   1.376
    4    HB3  LEU  41           HB3      LEU  41   6.130  -8.169   2.764
    5    HG   LEU  41           HG       LEU  41   3.615  -6.785   1.958
    6   HD11  LEU  41          HD11      LEU  41   4.564  -8.322   0.206
    7   HD12  LEU  41          HD12      LEU  41   4.382  -9.634   1.369
    8   HD13  LEU  41          HD13      LEU  41   2.961  -8.757   0.791
    9   HD21  LEU  41          HD21      LEU  41   3.810  -7.545   4.314
   10   HD22  LEU  41          HD22      LEU  41   2.543  -8.385   3.413
   11   HD23  LEU  41          HD23      LEU  41   4.083  -9.184   3.719

  No H/Q in entry =          11
  In of MODEL   14
    1    H    LYS  42           H        LYS  42   8.051  -7.166   3.889
    2    HA   LYS  42           HA       LYS  42   9.625  -5.709   1.904
    3    HB2  LYS  42           HB2      LYS  42  10.543  -6.537   4.644
    4    HB3  LYS  42           HB3      LYS  42  11.493  -5.666   3.450
    5    HG2  LYS  42           HG2      LYS  42   9.749  -3.799   3.611
    6    HG3  LYS  42           HG3      LYS  42   9.081  -4.688   4.951
    7    HD2  LYS  42           HD2      LYS  42  11.999  -3.805   4.898
    8    HD3  LYS  42           HD3      LYS  42  10.686  -2.918   5.702
    9    HE2  LYS  42           HE2      LYS  42  10.328  -4.653   7.248
   10    HE3  LYS  42           HE3      LYS  42  11.249  -5.809   6.287
   11    HZ1  LYS  42           HZ1      LYS  42  13.258  -4.545   6.776
   12    HZ2  LYS  42           HZ2      LYS  42  12.364  -3.465   7.739
   13    HZ3  LYS  42           HZ3      LYS  42  12.511  -5.095   8.193

  No H/Q in entry =          13
  In of MODEL   14
    1    H    ASN  43           H        ASN  43  10.153  -7.116   0.506
    2    HA   ASN  43           HA       ASN  43  10.829  -9.001  -0.587
    3    HB2  ASN  43           HB2      ASN  43  12.503  -8.769   1.551
    4    HB3  ASN  43           HB3      ASN  43  11.858 -10.386   1.797
    5   HD21  ASN  43          HD21      ASN  43  14.544  -9.356   0.973
    6   HD22  ASN  43          HD22      ASN  43  14.914 -10.239  -0.470

  No H/Q in entry =           6
  In of MODEL   14
    1    H    GLY  44           H        GLY  44   8.919  -9.333   2.244
    2    HA2  GLY  44           HA2      GLY  44   8.204 -12.093   1.797
    3    HA3  GLY  44           HA3      GLY  44   6.959 -10.920   1.357

  No H/Q in entry =           3
  In of MODEL   14
    1    H    GLU  45           H        GLU  45   8.774  -9.626   3.827
    2    HA   GLU  45           HA       GLU  45   7.254 -10.982   5.932
    3    HB2  GLU  45           HB2      GLU  45   9.703  -9.262   6.155
    4    HB3  GLU  45           HB3      GLU  45   9.074 -10.376   7.363
    5    HG2  GLU  45           HG2      GLU  45  10.065 -11.190   4.659
    6    HG3  GLU  45           HG3      GLU  45  11.070 -11.145   6.084

  No H/Q in entry =           6
  In of MODEL   14
    1    H    ARG  46           H        ARG  46   6.042  -9.816   7.407
    2    HA   ARG  46           HA       ARG  46   5.002  -7.352   6.491
    3    HB2  ARG  46           HB2      ARG  46   3.791  -9.142   7.878
    4    HB3  ARG  46           HB3      ARG  46   4.643  -8.476   9.276
    5    HG2  ARG  46           HG2      ARG  46   3.515  -6.399   9.083
    6    HG3  ARG  46           HG3      ARG  46   2.902  -6.787   7.481
    7    HD2  ARG  46           HD2      ARG  46   1.467  -8.570   8.500
    8    HD3  ARG  46           HD3      ARG  46   2.044  -8.052  10.096
    9    HE   ARG  46           HE       ARG  46   0.769  -6.083   8.345
   10   HH11  ARG  46          HH11      ARG  46   0.625  -8.081  11.218
   11   HH12  ARG  46          HH12      ARG  46  -0.779  -7.278  11.852
   12   HH21  ARG  46          HH21      ARG  46  -1.106  -5.035   9.182
   13   HH22  ARG  46          HH22      ARG  46  -1.752  -5.560  10.714

  No H/Q in entry =          13
  In of MODEL   14
    1    H    ILE  47           H        ILE  47   5.505  -5.339   6.923
    2    HA   ILE  47           HA       ILE  47   7.960  -4.654   8.041
    3    HB   ILE  47           HB       ILE  47   5.599  -3.070   7.146
    4   HG12  ILE  47          HG12      ILE  47   8.366  -3.550   6.067
    5   HG13  ILE  47          HG13      ILE  47   6.883  -4.251   5.453
    6   HG21  ILE  47          HG21      ILE  47   8.183  -1.986   8.218
    7   HG22  ILE  47          HG22      ILE  47   7.069  -1.063   7.206
    8   HG23  ILE  47          HG23      ILE  47   6.544  -1.660   8.782
    9   HD11  ILE  47          HD11      ILE  47   6.211  -1.757   5.110
   10   HD12  ILE  47          HD12      ILE  47   7.953  -1.506   5.149
   11   HD13  ILE  47          HD13      ILE  47   7.240  -2.587   3.947

  No H/Q in entry =          11
  In of MODEL   14
    1    H    GLU  48           H        GLU  48   4.954  -4.721   9.733
    2    HA   GLU  48           HA       GLU  48   4.089  -3.989  11.688
    3    HB2  GLU  48           HB2      GLU  48   6.663  -4.174  13.079
    4    HB3  GLU  48           HB3      GLU  48   5.144  -4.974  13.399
    5    HG2  GLU  48           HG2      GLU  48   6.740  -5.761  11.036
    6    HG3  GLU  48           HG3      GLU  48   7.198  -6.323  12.635

  No H/Q in entry =           6
  In of MODEL   14
    1    H    LYS  49           H        LYS  49   6.010  -1.920  10.146
    2    HA   LYS  49           HA       LYS  49   5.884   0.042  12.338
    3    HB2  LYS  49           HB2      LYS  49   7.705   0.732  10.170
    4    HB3  LYS  49           HB3      LYS  49   7.987   0.718  11.911
    5    HG2  LYS  49           HG2      LYS  49   7.904  -1.911  11.456
    6    HG3  LYS  49           HG3      LYS  49   8.489  -1.387   9.896
    7    HD2  LYS  49           HD2      LYS  49  10.362  -1.897  11.254
    8    HD3  LYS  49           HD3      LYS  49  10.307  -0.144  11.077
    9    HE2  LYS  49           HE2      LYS  49   9.299   0.074  13.271
   10    HE3  LYS  49           HE3      LYS  49   9.229  -1.682  13.438
   11    HZ1  LYS  49           HZ1      LYS  49  11.664  -1.720  13.325
   12    HZ2  LYS  49           HZ2      LYS  49  11.691  -0.023  13.262
   13    HZ3  LYS  49           HZ3      LYS  49  11.102  -0.814  14.646

  No H/Q in entry =          13
  In of MODEL   14
    1    H    VAL  50           H        VAL  50   4.277  -0.834   9.765
    2    HA   VAL  50           HA       VAL  50   3.989   1.529   8.233
    3    HB   VAL  50           HB       VAL  50   2.210  -0.889   8.511
    4   HG11  VAL  50          HG11      VAL  50   1.049   1.083   7.577
    5   HG12  VAL  50          HG12      VAL  50   2.280   1.170   6.311
    6   HG13  VAL  50          HG13      VAL  50   1.218  -0.235   6.409
    7   HG21  VAL  50          HG21      VAL  50   4.429  -0.225   6.593
    8   HG22  VAL  50          HG22      VAL  50   4.403  -1.513   7.796
    9   HG23  VAL  50          HG23      VAL  50   3.322  -1.579   6.406

  No H/Q in entry =           9
  In of MODEL   14
    1    H    GLU  51           H        GLU  51   2.511   3.146   8.330
    2    HA   GLU  51           HA       GLU  51   0.442   3.012  10.420
    3    HB2  GLU  51           HB2      GLU  51   2.070   5.453   9.687
    4    HB3  GLU  51           HB3      GLU  51   0.746   5.409  10.844
    5    HG2  GLU  51           HG2      GLU  51   2.036   3.885  12.252
    6    HG3  GLU  51           HG3      GLU  51   3.372   3.965  11.100

  No H/Q in entry =           6
  In of MODEL   14
    1    H    HIS  52           H        HIS  52  -1.498   3.962   9.927
    2    HA   HIS  52           HA       HIS  52  -1.828   4.996   7.194
    3    HB2  HIS  52           HB2      HIS  52  -4.240   4.370   7.421
    4    HB3  HIS  52           HB3      HIS  52  -3.135   3.005   7.418
    5    HD2  HIS  52           HD2      HIS  52  -2.625   2.041  10.183
    6    HE1  HIS  52           HE1      HIS  52  -6.502   3.266  11.345
    7    HE2  HIS  52           HE2      HIS  52  -4.428   1.988  12.045

  No H/Q in entry =           7
  In of MODEL   14
    1    H    SER  53           H        SER  53  -2.602   6.960   6.892
    2    HA   SER  53           HA       SER  53  -3.034   8.684   9.175
    3    HB2  SER  53           HB2      SER  53  -2.915   9.162   6.188
    4    HB3  SER  53           HB3      SER  53  -3.237  10.460   7.333
    5    HG   SER  53           HG       SER  53  -1.034  10.390   6.907

  No H/Q in entry =           5
  In of MODEL   14
    1    H    ASP  54           H        ASP  54  -4.813  10.509   8.507
    2    HA   ASP  54           HA       ASP  54  -7.337   9.565   9.042
    3    HB2  ASP  54           HB2      ASP  54  -6.599  12.005   7.399
    4    HB3  ASP  54           HB3      ASP  54  -8.182  11.728   8.113

  No H/Q in entry =           4
  In of MODEL   14
    1    H    LEU  55           H        LEU  55  -8.659   8.263   7.980
    2    HA   LEU  55           HA       LEU  55  -8.432   6.970   5.684
    3    HB2  LEU  55           HB2      LEU  55 -10.291   6.734   7.288
    4    HB3  LEU  55           HB3      LEU  55 -11.029   8.178   6.628
    5    HG   LEU  55           HG       LEU  55 -11.182   6.982   4.409
    6   HD11  LEU  55          HD11      LEU  55  -9.493   5.255   4.870
    7   HD12  LEU  55          HD12      LEU  55 -10.567   4.549   6.079
    8   HD13  LEU  55          HD13      LEU  55 -11.044   4.569   4.382
    9   HD21  LEU  55          HD21      LEU  55 -13.095   7.265   5.923
   10   HD22  LEU  55          HD22      LEU  55 -13.177   5.751   5.022
   11   HD23  LEU  55          HD23      LEU  55 -12.683   5.741   6.715

  No H/Q in entry =          11
  In of MODEL   14
    1    H    SER  56           H        SER  56 -10.769   9.614   5.518
    2    HA   SER  56           HA       SER  56  -9.644  10.943   3.296
    3    HB2  SER  56           HB2      SER  56 -11.625   8.755   2.733
    4    HB3  SER  56           HB3      SER  56 -11.585  10.191   1.713
    5    HG   SER  56           HG       SER  56  -9.372   8.495   2.268

  No H/Q in entry =           5
  In of MODEL   14
    1    H    PHE  57           H        PHE  57 -11.612  12.056   2.058
    2    HA   PHE  57           HA       PHE  57 -13.721  12.800   3.938
    3    HB2  PHE  57           HB2      PHE  57 -13.546  15.155   3.202
    4    HB3  PHE  57           HB3      PHE  57 -12.074  14.621   4.002
    5    HD1  PHE  57           HD1      PHE  57 -13.541  15.861   0.937
    6    HD2  PHE  57           HD2      PHE  57 -10.041  14.151   2.656
    7    HE1  PHE  57           HE1      PHE  57 -12.230  16.598  -1.008
    8    HE2  PHE  57           HE2      PHE  57  -8.725  14.887   0.712
    9    HZ   PHE  57           HZ       PHE  57  -9.821  16.111  -1.124

  No H/Q in entry =           9
  In of MODEL   14
    1    H    SER  58           H        SER  58 -15.601  13.744   2.753
    2    HA   SER  58           HA       SER  58 -16.411  12.119   0.656
    3    HB2  SER  58           HB2      SER  58 -18.121  14.086   0.313
    4    HB3  SER  58           HB3      SER  58 -18.161  13.127   1.793
    5    HG   SER  58           HG       SER  58 -17.344  15.769   1.389

  No H/Q in entry =           5
  In of MODEL   14
    1    H    LYS  59           H        LYS  59 -16.172  12.165  -1.506
    2    HA   LYS  59           HA       LYS  59 -15.010  14.526  -2.746
    3    HB2  LYS  59           HB2      LYS  59 -13.060  13.252  -2.104
    4    HB3  LYS  59           HB3      LYS  59 -13.726  11.790  -2.813
    5    HG2  LYS  59           HG2      LYS  59 -13.467  12.638  -5.012
    6    HG3  LYS  59           HG3      LYS  59 -13.077  14.250  -4.412
    7    HD2  LYS  59           HD2      LYS  59 -10.978  13.551  -3.596
    8    HD3  LYS  59           HD3      LYS  59 -11.404  11.846  -3.737
    9    HE2  LYS  59           HE2      LYS  59  -9.823  12.894  -5.491
   10    HE3  LYS  59           HE3      LYS  59 -11.117  11.833  -6.043
   11    HZ1  LYS  59           HZ1      LYS  59 -11.393  14.788  -5.945
   12    HZ2  LYS  59           HZ2      LYS  59 -10.814  13.964  -7.310
   13    HZ3  LYS  59           HZ3      LYS  59 -12.387  13.668  -6.747

  No H/Q in entry =          13
  In of MODEL   14
    1    H    ASP  60           H        ASP  60 -15.110  11.247  -4.135
    2    HA   ASP  60           HA       ASP  60 -17.345  12.178  -5.803
    3    HB2  ASP  60           HB2      ASP  60 -15.043  10.408  -6.665
    4    HB3  ASP  60           HB3      ASP  60 -16.416  10.858  -7.669

  No H/Q in entry =           4
  In of MODEL   14
    1    H    TRP  61           H        TRP  61 -15.647   9.060  -5.321
    2    HA   TRP  61           HA       TRP  61 -17.460   7.963  -3.514
    3    HB2  TRP  61           HB2      TRP  61 -18.923   8.180  -5.674
    4    HB3  TRP  61           HB3      TRP  61 -18.023   6.761  -6.208
    5    HD1  TRP  61           HD1      TRP  61 -19.588   7.611  -2.764
    6    HE1  TRP  61           HE1      TRP  61 -21.083   5.648  -2.047
    7    HE3  TRP  61           HE3      TRP  61 -19.027   4.639  -6.885
    8    HZ2  TRP  61           HZ2      TRP  61 -21.914   3.158  -3.096
    9    HZ3  TRP  61           HZ3      TRP  61 -20.199   2.484  -6.962
   10    HH2  TRP  61           HH2      TRP  61 -21.631   1.751  -5.080

  No H/Q in entry =          10
  In of MODEL   14
    1    H    SER  62           H        SER  62 -15.658   7.059  -2.620
    2    HA   SER  62           HA       SER  62 -14.910   4.488  -3.485
    3    HB2  SER  62           HB2      SER  62 -12.334   5.217  -3.693
    4    HB3  SER  62           HB3      SER  62 -13.385   5.317  -5.120
    5    HG   SER  62           HG       SER  62 -13.334   7.452  -5.012

  No H/Q in entry =           5
  In of MODEL   14
    1    H    PHE  63           H        PHE  63 -13.821   7.348  -1.702
    2    HA   PHE  63           HA       PHE  63 -13.067   7.668   0.410
    3    HB2  PHE  63           HB2      PHE  63 -14.254   4.957   1.075
    4    HB3  PHE  63           HB3      PHE  63 -13.894   6.258   2.199
    5    HD1  PHE  63           HD1      PHE  63 -16.210   5.065  -0.388
    6    HD2  PHE  63           HD2      PHE  63 -15.434   8.133   2.474
    7    HE1  PHE  63           HE1      PHE  63 -18.539   5.835  -0.588
    8    HE2  PHE  63           HE2      PHE  63 -17.779   8.907   2.273
    9    HZ   PHE  63           HZ       PHE  63 -19.317   7.758   0.735

  No H/Q in entry =           9
  In of MODEL   14
    1    H    TYR  64           H        TYR  64 -10.970   7.688   0.116
    2    HA   TYR  64           HA       TYR  64  -9.477   5.330  -0.579
    3    HB2  TYR  64           HB2      TYR  64  -8.417   8.096   0.088
    4    HB3  TYR  64           HB3      TYR  64  -7.616   6.854  -0.869
    5    HD1  TYR  64           HD1      TYR  64 -10.354   9.325  -0.851
    6    HD2  TYR  64           HD2      TYR  64  -8.066   6.623  -3.212
    7    HE1  TYR  64           HE1      TYR  64 -11.280  10.334  -2.890
    8    HE2  TYR  64           HE2      TYR  64  -8.989   7.635  -5.260
    9    HH   TYR  64           HH       TYR  64 -11.034   8.900  -5.918

  No H/Q in entry =           9
  In of MODEL   14
    1    H    LEU  65           H        LEU  65  -7.872   4.332   0.682
    2    HA   LEU  65           HA       LEU  65  -7.401   5.468   3.341
    3    HB2  LEU  65           HB2      LEU  65  -8.855   3.710   3.860
    4    HB3  LEU  65           HB3      LEU  65  -8.162   2.644   2.655
    5    HG   LEU  65           HG       LEU  65  -6.234   3.328   4.716
    6   HD11  LEU  65          HD11      LEU  65  -8.284   3.541   6.067
    7   HD12  LEU  65          HD12      LEU  65  -8.748   1.912   5.581
    8   HD13  LEU  65          HD13      LEU  65  -7.295   2.165   6.549
    9   HD21  LEU  65          HD21      LEU  65  -7.473   0.752   3.767
   10   HD22  LEU  65          HD22      LEU  65  -6.009   1.496   3.125
   11   HD23  LEU  65          HD23      LEU  65  -6.040   0.892   4.781

  No H/Q in entry =          11
  In of MODEL   14
    1    H    LEU  66           H        LEU  66  -5.313   5.610   3.895
    2    HA   LEU  66           HA       LEU  66  -3.403   4.753   1.826
    3    HB2  LEU  66           HB2      LEU  66  -3.991   7.271   2.454
    4    HB3  LEU  66           HB3      LEU  66  -2.835   6.984   3.722
    5    HG   LEU  66           HG       LEU  66  -2.272   6.763   0.778
    6   HD11  LEU  66          HD11      LEU  66  -2.642   9.064   1.497
    7   HD12  LEU  66          HD12      LEU  66  -1.447   8.859   2.773
    8   HD13  LEU  66          HD13      LEU  66  -0.950   8.792   1.087
    9   HD21  LEU  66          HD21      LEU  66  -0.409   6.525   3.121
   10   HD22  LEU  66          HD22      LEU  66  -0.866   5.237   2.008
   11   HD23  LEU  66          HD23      LEU  66   0.087   6.607   1.429

  No H/Q in entry =          11
  In of MODEL   14
    1    H    TYR  67           H        TYR  67  -1.811   3.445   2.408
    2    HA   TYR  67           HA       TYR  67  -1.061   3.285   5.249
    3    HB2  TYR  67           HB2      TYR  67  -1.697   1.114   3.335
    4    HB3  TYR  67           HB3      TYR  67  -0.335   0.855   4.416
    5    HD1  TYR  67           HD1      TYR  67  -0.721   0.972   6.905
    6    HD2  TYR  67           HD2      TYR  67  -3.919   0.839   4.103
    7    HE1  TYR  67           HE1      TYR  67  -2.225   0.162   8.676
    8    HE2  TYR  67           HE2      TYR  67  -5.426   0.037   5.865
    9    HH   TYR  67           HH       TYR  67  -5.024  -1.319   8.150

  No H/Q in entry =           9
  In of MODEL   14
    1    H    TYR  68           H        TYR  68   0.914   4.011   5.555
    2    HA   TYR  68           HA       TYR  68   2.922   3.495   3.467
    3    HB2  TYR  68           HB2      TYR  68   3.779   5.784   3.646
    4    HB3  TYR  68           HB3      TYR  68   2.086   5.797   3.149
    5    HD1  TYR  68           HD1      TYR  68   4.440   6.544   5.865
    6    HD2  TYR  68           HD2      TYR  68   0.392   6.728   4.582
    7    HE1  TYR  68           HE1      TYR  68   3.943   8.110   7.691
    8    HE2  TYR  68           HE2      TYR  68  -0.125   8.294   6.398
    9    HH   TYR  68           HH       TYR  68   2.353   9.765   8.313

  No H/Q in entry =           9
  In of MODEL   14
    1    H    THR  69           H        THR  69   5.171   4.025   4.238
    2    HA   THR  69           HA       THR  69   5.606   4.120   7.087
    3    HB   THR  69           HB       THR  69   5.227   1.674   6.729
    4    HG1  THR  69           HG1      THR  69   6.814   2.577   8.276
    5   HG21  THR  69          HG21      THR  69   7.601   1.947   4.876
    6   HG22  THR  69          HG22      THR  69   7.013   0.407   5.509
    7   HG23  THR  69          HG23      THR  69   5.977   1.381   4.465

  No H/Q in entry =           7
  In of MODEL   14
    1    H    GLU  70           H        GLU  70   7.602   4.997   7.516
    2    HA   GLU  70           HA       GLU  70   9.147   5.999   5.336
    3    HB2  GLU  70           HB2      GLU  70  10.173   5.896   8.161
    4    HB3  GLU  70           HB3      GLU  70  10.383   7.164   6.964
    5    HG2  GLU  70           HG2      GLU  70   7.964   7.648   7.175
    6    HG3  GLU  70           HG3      GLU  70   7.923   6.519   8.523

  No H/Q in entry =           6
  In of MODEL   14
    1    H    PHE  71           H        PHE  71  11.053   5.237   4.544
    2    HA   PHE  71           HA       PHE  71  12.191   2.879   5.729
    3    HB2  PHE  71           HB2      PHE  71  11.946   1.430   3.788
    4    HB3  PHE  71           HB3      PHE  71  10.367   1.932   4.368
    5    HD1  PHE  71           HD1      PHE  71  10.743   4.786   2.979
    6    HD2  PHE  71           HD2      PHE  71  11.008   0.743   1.692
    7    HE1  PHE  71           HE1      PHE  71  10.124   5.470   0.714
    8    HE2  PHE  71           HE2      PHE  71  10.383   1.412  -0.584
    9    HZ   PHE  71           HZ       PHE  71   9.951   3.791  -1.096

  No H/Q in entry =           9
  In of MODEL   14
    1    H    THR  72           H        THR  72  14.184   2.164   4.614
    2    HA   THR  72           HA       THR  72  15.390   4.276   2.958
    3    HB   THR  72           HB       THR  72  16.872   2.445   4.857
    4    HG1  THR  72           HG1      THR  72  15.366   4.531   5.458
    5   HG21  THR  72          HG21      THR  72  17.745   4.929   3.361
    6   HG22  THR  72          HG22      THR  72  18.730   4.016   4.504
    7   HG23  THR  72          HG23      THR  72  18.225   3.273   2.986

  No H/Q in entry =           7
  In of MODEL   14
    1    HA   PRO  73           HA       PRO  73  14.879   0.487   0.307
    2    HB2  PRO  73           HB2      PRO  73  15.493   2.047  -1.959
    3    HB3  PRO  73           HB3      PRO  73  13.871   1.624  -1.388
    4    HG2  PRO  73           HG2      PRO  73  15.451   4.116  -0.962
    5    HG3  PRO  73           HG3      PRO  73  13.702   3.927  -1.202
    6    HD2  PRO  73           HD2      PRO  73  14.708   4.425   1.220
    7    HD3  PRO  73           HD3      PRO  73  13.348   3.291   1.018

  No H/Q in entry =           7
  In of MODEL   14
    1    H    THR  74           H        THR  74  16.287  -0.723  -0.812
    2    HA   THR  74           HA       THR  74  18.974   0.209  -1.335
    3    HB   THR  74           HB       THR  74  20.043  -1.697  -0.404
    4    HG1  THR  74           HG1      THR  74  17.418  -2.726   0.054
    5   HG21  THR  74          HG21      THR  74  17.922  -0.814   1.550
    6   HG22  THR  74          HG22      THR  74  19.403  -1.674   1.973
    7   HG23  THR  74          HG23      THR  74  19.491  -0.045   1.299

  No H/Q in entry =           7
  In of MODEL   14
    1    H    GLU  75           H        GLU  75  20.042  -1.651  -2.782
    2    HA   GLU  75           HA       GLU  75  18.168  -2.289  -4.855
    3    HB2  GLU  75           HB2      GLU  75  20.465  -1.606  -5.325
    4    HB3  GLU  75           HB3      GLU  75  21.084  -3.011  -4.489
    5    HG2  GLU  75           HG2      GLU  75  19.390  -3.168  -6.970
    6    HG3  GLU  75           HG3      GLU  75  21.148  -3.061  -6.978

  No H/Q in entry =           6
  In of MODEL   14
    1    H    LYS  76           H        LYS  76  19.766  -4.008  -2.301
    2    HA   LYS  76           HA       LYS  76  19.197  -6.552  -3.458
    3    HB2  LYS  76           HB2      LYS  76  20.486  -5.770  -0.855
    4    HB3  LYS  76           HB3      LYS  76  20.368  -7.422  -1.442
    5    HG2  LYS  76           HG2      LYS  76  22.238  -7.155  -2.613
    6    HG3  LYS  76           HG3      LYS  76  21.511  -5.816  -3.501
    7    HD2  LYS  76           HD2      LYS  76  22.120  -4.356  -1.523
    8    HD3  LYS  76           HD3      LYS  76  23.083  -5.715  -0.941
    9    HE2  LYS  76           HE2      LYS  76  24.313  -5.700  -3.103
   10    HE3  LYS  76           HE3      LYS  76  23.416  -4.249  -3.565
   11    HZ1  LYS  76           HZ1      LYS  76  25.157  -4.473  -1.161
   12    HZ2  LYS  76           HZ2      LYS  76  25.629  -3.764  -2.623
   13    HZ3  LYS  76           HZ3      LYS  76  24.376  -3.075  -1.710

  No H/Q in entry =          13
  In of MODEL   14
    1    H    ASP  77           H        ASP  77  17.701  -4.448  -1.175
    2    HA   ASP  77           HA       ASP  77  15.932  -6.650  -0.365
    3    HB2  ASP  77           HB2      ASP  77  15.596  -5.592   1.657
    4    HB3  ASP  77           HB3      ASP  77  17.148  -4.862   1.265

  No H/Q in entry =           4
  In of MODEL   14
    1    H    GLU  78           H        GLU  78  13.561  -5.755   0.049
    2    HA   GLU  78           HA       GLU  78  12.670  -3.912  -1.979
    3    HB2  GLU  78           HB2      GLU  78  13.117  -5.950  -3.298
    4    HB3  GLU  78           HB3      GLU  78  12.020  -6.860  -2.276
    5    HG2  GLU  78           HG2      GLU  78  10.955  -6.230  -4.382
    6    HG3  GLU  78           HG3      GLU  78  10.151  -5.410  -3.038

  No H/Q in entry =           6
  In of MODEL   14
    1    H    TYR  79           H        TYR  79  10.451  -3.370  -1.725
    2    HA   TYR  79           HA       TYR  79   9.203  -4.599   0.626
    3    HB2  TYR  79           HB2      TYR  79   8.781  -1.681  -0.082
    4    HB3  TYR  79           HB3      TYR  79   8.356  -2.511   1.411
    5    HD1  TYR  79           HD1      TYR  79   9.483  -1.536   3.171
    6    HD2  TYR  79           HD2      TYR  79  11.614  -2.214  -0.450
    7    HE1  TYR  79           HE1      TYR  79  11.535  -0.662   4.215
    8    HE2  TYR  79           HE2      TYR  79  13.677  -1.393   0.607
    9    HH   TYR  79           HH       TYR  79  14.435  -0.104   2.389

  No H/Q in entry =           9
  In of MODEL   14
    1    H    ALA  80           H        ALA  80   6.832  -4.573   0.646
    2    HA   ALA  80           HA       ALA  80   5.707  -4.427  -2.065
    3    HB1  ALA  80           HB1      ALA  80   6.503  -6.687  -1.873
    4    HB2  ALA  80           HB2      ALA  80   4.740  -6.677  -1.808
    5    HB3  ALA  80           HB3      ALA  80   5.673  -6.879  -0.322

  No H/Q in entry =           5
  In of MODEL   14
    1    H    CYS  81           H        CYS  81   3.326  -4.647  -2.084
    2    HA   CYS  81           HA       CYS  81   2.113  -3.760   0.452
    3    HB2  CYS  81           HB2      CYS  81   1.644  -3.019  -2.398
    4    HB3  CYS  81           HB3      CYS  81   0.251  -3.060  -1.327

  No H/Q in entry =           4
  In of MODEL   14
    1    H    ARG  82           H        ARG  82   0.574  -4.995   1.335
    2    HA   ARG  82           HA       ARG  82  -0.655  -7.171  -0.264
    3    HB2  ARG  82           HB2      ARG  82   0.913  -7.823   1.657
    4    HB3  ARG  82           HB3      ARG  82  -0.285  -7.110   2.724
    5    HG2  ARG  82           HG2      ARG  82  -1.974  -8.723   1.854
    6    HG3  ARG  82           HG3      ARG  82  -0.681  -9.513   0.951
    7    HD2  ARG  82           HD2      ARG  82   0.157 -10.526   2.801
    8    HD3  ARG  82           HD3      ARG  82  -0.086  -9.093   3.795
    9    HE   ARG  82           HE       ARG  82  -2.244 -10.988   3.151
   10   HH11  ARG  82          HH11      ARG  82  -0.487  -8.905   5.360
   11   HH12  ARG  82          HH12      ARG  82  -1.450  -9.366   6.745
   12   HH21  ARG  82          HH21      ARG  82  -3.497 -11.583   4.975
   13   HH22  ARG  82          HH22      ARG  82  -3.145 -10.885   6.526

  No H/Q in entry =          13
  In of MODEL   14
    1    H    VAL  83           H        VAL  83  -2.889  -7.204  -0.274
    2    HA   VAL  83           HA       VAL  83  -4.236  -5.707   1.878
    3    HB   VAL  83           HB       VAL  83  -5.717  -4.550   0.580
    4   HG11  VAL  83          HG11      VAL  83  -3.233  -4.694  -1.075
    5   HG12  VAL  83          HG12      VAL  83  -4.484  -3.461  -1.228
    6   HG13  VAL  83          HG13      VAL  83  -3.568  -3.606   0.270
    7   HG21  VAL  83          HG21      VAL  83  -5.119  -6.356  -1.749
    8   HG22  VAL  83          HG22      VAL  83  -6.566  -6.396  -0.740
    9   HG23  VAL  83          HG23      VAL  83  -6.240  -4.995  -1.761

  No H/Q in entry =           9
  In of MODEL   14
    1    H    ASN  84           H        ASN  84  -6.062  -6.526   2.635
    2    HA   ASN  84           HA       ASN  84  -6.916  -9.126   1.572
    3    HB2  ASN  84           HB2      ASN  84  -7.106  -8.174   4.445
    4    HB3  ASN  84           HB3      ASN  84  -7.497  -9.776   3.846
    5   HD21  ASN  84          HD21      ASN  84  -4.869  -7.506   4.340
    6   HD22  ASN  84          HD22      ASN  84  -3.618  -8.696   4.466

  No H/Q in entry =           6
  In of MODEL   14
    1    H    HIS  85           H        HIS  85  -8.932  -9.048   0.682
    2    HA   HIS  85           HA       HIS  85 -11.011  -7.820   2.307
    3    HB2  HIS  85           HB2      HIS  85 -10.212  -6.300   0.316
    4    HB3  HIS  85           HB3      HIS  85 -11.129  -7.438  -0.664
    5    HD2  HIS  85           HD2      HIS  85 -11.824  -4.908   2.289
    6    HE1  HIS  85           HE1      HIS  85 -15.388  -5.651   0.124
    7    HE2  HIS  85           HE2      HIS  85 -14.270  -4.159   1.839

  No H/Q in entry =           7
  In of MODEL   14
    1    H    VAL  86           H        VAL  86 -13.198  -8.612   1.530
    2    HA   VAL  86           HA       VAL  86 -13.118 -11.428   1.321
    3    HB   VAL  86           HB       VAL  86 -14.943 -10.166   2.441
    4   HG11  VAL  86          HG11      VAL  86 -15.811  -9.519  -0.372
    5   HG12  VAL  86          HG12      VAL  86 -16.758  -9.225   1.086
    6   HG13  VAL  86          HG13      VAL  86 -15.236  -8.372   0.837
    7   HG21  VAL  86          HG21      VAL  86 -15.267 -12.501   1.853
    8   HG22  VAL  86          HG22      VAL  86 -16.778 -11.606   1.683
    9   HG23  VAL  86          HG23      VAL  86 -15.841 -12.036   0.252

  No H/Q in entry =           9
  In of MODEL   14
    1    H    THR  87           H        THR  87 -13.181  -8.911  -1.069
    2    HA   THR  87           HA       THR  87 -14.431 -10.390  -3.143
    3    HB   THR  87           HB       THR  87 -13.637  -8.635  -4.622
    4    HG1  THR  87           HG1      THR  87 -11.594  -8.182  -3.900
    5   HG21  THR  87          HG21      THR  87 -15.581  -8.163  -3.244
    6   HG22  THR  87          HG22      THR  87 -14.545  -7.536  -1.965
    7   HG23  THR  87          HG23      THR  87 -14.644  -6.699  -3.514

  No H/Q in entry =           7
  In of MODEL   14
    1    H    LEU  88           H        LEU  88 -11.090  -9.705  -2.289
    2    HA   LEU  88           HA       LEU  88 -10.022 -10.991  -4.593
    3    HB2  LEU  88           HB2      LEU  88  -8.700 -10.204  -1.986
    4    HB3  LEU  88           HB3      LEU  88  -7.840 -10.770  -3.405
    5    HG   LEU  88           HG       LEU  88  -9.374  -8.188  -3.105
    6   HD11  LEU  88          HD11      LEU  88  -7.067  -8.295  -2.171
    7   HD12  LEU  88          HD12      LEU  88  -6.481  -8.691  -3.795
    8   HD13  LEU  88          HD13      LEU  88  -7.255  -7.130  -3.492
    9   HD21  LEU  88          HD21      LEU  88  -8.111  -9.364  -5.578
   10   HD22  LEU  88          HD22      LEU  88  -9.833  -9.098  -5.309
   11   HD23  LEU  88          HD23      LEU  88  -8.738  -7.721  -5.432

  No H/Q in entry =          11
  In of MODEL   14
    1    H    SER  89           H        SER  89  -9.887 -13.124  -4.881
    2    HA   SER  89           HA       SER  89 -10.794 -14.918  -2.878
    3    HB2  SER  89           HB2      SER  89 -10.199 -16.668  -4.596
    4    HB3  SER  89           HB3      SER  89 -11.263 -15.398  -5.178
    5    HG   SER  89           HG       SER  89  -8.813 -16.101  -6.071

  No H/Q in entry =           5
  In of MODEL   14
    1    H    GLN  90           H        GLN  90  -7.773 -13.551  -3.576
    2    HA   GLN  90           HA       GLN  90  -6.583 -14.975  -1.335
    3    HB2  GLN  90           HB2      GLN  90  -4.918 -14.331  -3.768
    4    HB3  GLN  90           HB3      GLN  90  -4.540 -15.424  -2.448
    5    HG2  GLN  90           HG2      GLN  90  -5.918 -17.120  -3.317
    6    HG3  GLN  90           HG3      GLN  90  -6.721 -15.998  -4.428
    7   HE21  GLN  90          HE21      GLN  90  -6.248 -17.248  -6.211
    8   HE22  GLN  90          HE22      GLN  90  -4.640 -17.386  -6.854

  No H/Q in entry =           8
  In of MODEL   14
    1    HA   PRO  91           HA       PRO  91  -5.736 -10.528  -0.391
    2    HB2  PRO  91           HB2      PRO  91  -3.378 -11.996   0.799
    3    HB3  PRO  91           HB3      PRO  91  -4.229 -10.566   1.421
    4    HG2  PRO  91           HG2      PRO  91  -4.840 -12.887   2.452
    5    HG3  PRO  91           HG3      PRO  91  -6.165 -11.804   1.934
    6    HD2  PRO  91           HD2      PRO  91  -5.062 -14.262   0.581
    7    HD3  PRO  91           HD3      PRO  91  -6.767 -13.727   0.710

  No H/Q in entry =           7
  In of MODEL   14
    1    H    LYS  92           H        LYS  92  -4.162  -9.023  -1.165
    2    HA   LYS  92           HA       LYS  92  -2.961 -10.170  -3.591
    3    HB2  LYS  92           HB2      LYS  92  -4.989  -8.672  -3.815
    4    HB3  LYS  92           HB3      LYS  92  -3.941  -7.354  -3.295
    5    HG2  LYS  92           HG2      LYS  92  -4.061  -7.504  -5.731
    6    HG3  LYS  92           HG3      LYS  92  -2.425  -7.835  -5.120
    7    HD2  LYS  92           HD2      LYS  92  -2.447  -9.881  -5.976
    8    HD3  LYS  92           HD3      LYS  92  -3.951 -10.244  -5.138
    9    HE2  LYS  92           HE2      LYS  92  -4.302 -10.563  -7.492
   10    HE3  LYS  92           HE3      LYS  92  -5.217  -9.157  -6.941
   11    HZ1  LYS  92           HZ1      LYS  92  -2.597  -9.064  -8.349
   12    HZ2  LYS  92           HZ2      LYS  92  -4.102  -8.755  -9.058
   13    HZ3  LYS  92           HZ3      LYS  92  -3.505  -7.723  -7.860

  No H/Q in entry =          13
  In of MODEL   14
    1    H    ILE  93           H        ILE  93  -0.862  -9.937  -3.831
    2    HA   ILE  93           HA       ILE  93   0.475  -7.820  -2.299
    3    HB   ILE  93           HB       ILE  93   1.627 -10.395  -3.353
    4   HG12  ILE  93          HG12      ILE  93   2.220 -10.584  -0.825
    5   HG13  ILE  93          HG13      ILE  93   0.976  -9.367  -0.608
    6   HG21  ILE  93          HG21      ILE  93   3.222  -8.572  -3.630
    7   HG22  ILE  93          HG22      ILE  93   3.033  -8.150  -1.927
    8   HG23  ILE  93          HG23      ILE  93   3.749  -9.697  -2.375
    9   HD11  ILE  93          HD11      ILE  93   0.571 -12.053  -1.891
   10   HD12  ILE  93          HD12      ILE  93   0.157 -11.640  -0.228
   11   HD13  ILE  93          HD13      ILE  93  -0.672 -10.849  -1.567

  No H/Q in entry =          11
  In of MODEL   14
    1    H    VAL  94           H        VAL  94   1.270  -6.216  -3.366
    2    HA   VAL  94           HA       VAL  94   2.213  -6.618  -6.121
    3    HB   VAL  94           HB       VAL  94   0.868  -4.137  -5.012
    4   HG11  VAL  94          HG11      VAL  94   2.698  -3.571  -6.527
    5   HG12  VAL  94          HG12      VAL  94   2.026  -4.647  -7.750
    6   HG13  VAL  94          HG13      VAL  94   1.135  -3.205  -7.258
    7   HG21  VAL  94          HG21      VAL  94  -0.003  -6.071  -7.159
    8   HG22  VAL  94          HG22      VAL  94  -0.721  -5.898  -5.556
    9   HG23  VAL  94          HG23      VAL  94  -0.837  -4.579  -6.723

  No H/Q in entry =           9
  In of MODEL   14
    1    H    LYS  95           H        LYS  95   4.270  -6.073  -6.397
    2    HA   LYS  95           HA       LYS  95   5.752  -5.241  -4.061
    3    HB2  LYS  95           HB2      LYS  95   6.585  -6.048  -6.826
    4    HB3  LYS  95           HB3      LYS  95   7.719  -5.444  -5.628
    5    HG2  LYS  95           HG2      LYS  95   7.126  -7.295  -4.140
    6    HG3  LYS  95           HG3      LYS  95   6.040  -7.925  -5.386
    7    HD2  LYS  95           HD2      LYS  95   7.783  -8.447  -6.821
    8    HD3  LYS  95           HD3      LYS  95   8.896  -7.336  -6.027
    9    HE2  LYS  95           HE2      LYS  95   9.489  -9.646  -5.552
   10    HE3  LYS  95           HE3      LYS  95   8.989  -8.809  -4.083
   11    HZ1  LYS  95           HZ1      LYS  95   7.132 -10.493  -5.674
   12    HZ2  LYS  95           HZ2      LYS  95   8.077 -11.118  -4.410
   13    HZ3  LYS  95           HZ3      LYS  95   6.923  -9.920  -4.095

  No H/Q in entry =          13
  In of MODEL   14
    1    H    TRP  96           H        TRP  96   6.961  -3.410  -3.871
    2    HA   TRP  96           HA       TRP  96   5.885  -1.086  -5.094
    3    HB2  TRP  96           HB2      TRP  96   6.751  -0.895  -2.845
    4    HB3  TRP  96           HB3      TRP  96   8.352  -1.456  -3.345
    5    HD1  TRP  96           HD1      TRP  96   5.996   1.463  -4.408
    6    HE1  TRP  96           HE1      TRP  96   7.464   3.549  -4.757
    7    HE3  TRP  96           HE3      TRP  96  10.556  -0.554  -3.279
    8    HZ2  TRP  96           HZ2      TRP  96  10.180   4.240  -4.575
    9    HZ3  TRP  96           HZ3      TRP  96  12.545   0.888  -3.377
   10    HH2  TRP  96           HH2      TRP  96  12.353   3.261  -4.008

  No H/Q in entry =          10
  In of MODEL   14
    1    H    ASP  97           H        ASP  97   6.175  -0.774  -7.172
    2    HA   ASP  97           HA       ASP  97   8.638  -1.649  -8.436
    3    HB2  ASP  97           HB2      ASP  97   7.473  -1.189 -10.552
    4    HB3  ASP  97           HB3      ASP  97   6.541  -2.273  -9.523

  No H/Q in entry =           4
  In of MODEL   14
    1    H    ARG  98           H        ARG  98  10.278  -0.323  -8.524
    2    HA   ARG  98           HA       ARG  98   9.835   2.542  -8.824
    3    HB2  ARG  98           HB2      ARG  98  12.333   2.671  -8.574
    4    HB3  ARG  98           HB3      ARG  98  11.531   1.924  -7.204
    5    HG2  ARG  98           HG2      ARG  98  12.361  -0.008  -9.227
    6    HG3  ARG  98           HG3      ARG  98  13.701   0.927  -8.578
    7    HD2  ARG  98           HD2      ARG  98  11.735  -0.369  -6.716
    8    HD3  ARG  98           HD3      ARG  98  13.034  -1.314  -7.438
    9    HE   ARG  98           HE       ARG  98  14.078   1.048  -6.283
   10   HH11  ARG  98          HH11      ARG  98  12.693  -2.058  -5.364
   11   HH12  ARG  98          HH12      ARG  98  13.705  -2.235  -3.972
   12   HH21  ARG  98          HH21      ARG  98  15.440   0.780  -4.450
   13   HH22  ARG  98          HH22      ARG  98  15.287  -0.648  -3.472

  No H/Q in entry =          13
  In of MODEL   14
    1    H    ASP  99           H        ASP  99  11.192  -0.226 -10.512
    2    HA   ASP  99           HA       ASP  99  11.095   1.259 -13.055
    3    HB2  ASP  99           HB2      ASP  99  13.272  -0.590 -12.063
    4    HB3  ASP  99           HB3      ASP  99  13.103  -0.126 -13.750

  No H/Q in entry =           4
  In of MODEL   14
    1    H    MET 100           H        MET 100  10.008  -1.192 -11.229
    2    HA   MET 100           HA       MET 100  10.216  -3.410 -13.020
    3    HB2  MET 100           HB2      MET 100   8.304  -3.288 -10.698
    4    HB3  MET 100           HB3      MET 100   9.148  -4.681 -11.362
    5    HG2  MET 100           HG2      MET 100  10.299  -2.463  -9.693
    6    HG3  MET 100           HG3      MET 100  10.121  -4.162  -9.261
    7    HE1  MET 100           HE1      MET 100  11.604  -6.106 -10.216
    8    HE2  MET 100           HE2      MET 100  11.096  -5.690 -11.852
    9    HE3  MET 100           HE3      MET 100  12.808  -5.897 -11.487

  No H/Q in entry =           9
  In of MODEL   15
    1    HA   ILE   2           HA       ILE   2 -21.919  -8.377  -4.210
    2    HB   ILE   2           HB       ILE   2 -22.554  -6.182  -5.288
    3   HG12  ILE   2          HG12      ILE   2 -24.919  -5.407  -4.476
    4   HG13  ILE   2          HG13      ILE   2 -24.435  -6.127  -2.946
    5   HG21  ILE   2          HG21      ILE   2 -24.750  -8.186  -4.801
    6   HG22  ILE   2          HG22      ILE   2 -24.708  -7.013  -6.115
    7   HG23  ILE   2          HG23      ILE   2 -23.489  -8.286  -6.033
    8   HD11  ILE   2          HD11      ILE   2 -22.984  -3.922  -4.393
    9   HD12  ILE   2          HD12      ILE   2 -24.024  -3.734  -2.981
   10   HD13  ILE   2          HD13      ILE   2 -22.512  -4.634  -2.850

  No H/Q in entry =          10
  In of MODEL   15
    1    H    GLN   3           H        GLN   3 -20.247  -6.761  -4.841
    2    HA   GLN   3           HA       GLN   3 -19.353  -4.808  -3.011
    3    HB2  GLN   3           HB2      GLN   3 -19.010  -7.016  -1.716
    4    HB3  GLN   3           HB3      GLN   3 -17.732  -7.362  -2.868
    5    HG2  GLN   3           HG2      GLN   3 -16.933  -6.398  -0.726
    6    HG3  GLN   3           HG3      GLN   3 -16.471  -5.467  -2.156
    7   HE21  GLN   3          HE21      GLN   3 -18.563  -5.580   0.630
    8   HE22  GLN   3          HE22      GLN   3 -18.995  -3.902   0.624

  No H/Q in entry =           8
  In of MODEL   15
    1    H    ARG   4           H        ARG   4 -16.937  -4.282  -3.470
    2    HA   ARG   4           HA       ARG   4 -16.387  -4.689  -6.336
    3    HB2  ARG   4           HB2      ARG   4 -16.693  -2.358  -5.964
    4    HB3  ARG   4           HB3      ARG   4 -15.761  -2.411  -4.460
    5    HG2  ARG   4           HG2      ARG   4 -13.908  -1.838  -5.597
    6    HG3  ARG   4           HG3      ARG   4 -14.037  -3.354  -6.460
    7    HD2  ARG   4           HD2      ARG   4 -15.417  -0.827  -7.380
    8    HD3  ARG   4           HD3      ARG   4 -13.869  -1.417  -7.994
    9    HE   ARG   4           HE       ARG   4 -15.307  -3.536  -8.488
   10   HH11  ARG   4          HH11      ARG   4 -16.213  -0.174  -8.902
   11   HH12  ARG   4          HH12      ARG   4 -17.422  -0.523 -10.101
   12   HH21  ARG   4          HH21      ARG   4 -16.865  -3.987 -10.094
   13   HH22  ARG   4          HH22      ARG   4 -17.777  -2.683 -10.790

  No H/Q in entry =          13
  In of MODEL   15
    1    H    THR   5           H        THR   5 -14.344  -5.420  -6.916
    2    HA   THR   5           HA       THR   5 -12.702  -6.473  -4.815
    3    HB   THR   5           HB       THR   5 -11.232  -7.320  -6.564
    4    HG1  THR   5           HG1      THR   5 -11.721  -5.285  -7.910
    5   HG21  THR   5          HG21      THR   5 -14.178  -7.644  -7.097
    6   HG22  THR   5          HG22      THR   5 -12.951  -8.539  -7.994
    7   HG23  THR   5          HG23      THR   5 -13.085  -8.735  -6.251

  No H/Q in entry =           7
  In of MODEL   15
    1    HA   PRO   6           HA       PRO   6 -10.799  -2.436  -4.400
    2    HB2  PRO   6           HB2      PRO   6  -9.133  -3.701  -2.347
    3    HB3  PRO   6           HB3      PRO   6 -10.301  -2.387  -2.181
    4    HG2  PRO   6           HG2      PRO   6 -10.718  -4.886  -1.189
    5    HG3  PRO   6           HG3      PRO   6 -12.042  -3.810  -1.706
    6    HD2  PRO   6           HD2      PRO   6 -10.826  -6.162  -3.116
    7    HD3  PRO   6           HD3      PRO   6 -12.514  -5.593  -3.091

  No H/Q in entry =           7
  In of MODEL   15
    1    H    LYS   7           H        LYS   7  -9.104  -1.731  -5.592
    2    HA   LYS   7           HA       LYS   7  -7.214  -3.764  -6.516
    3    HB2  LYS   7           HB2      LYS   7  -8.442  -2.520  -8.255
    4    HB3  LYS   7           HB3      LYS   7  -7.814  -1.003  -7.625
    5    HG2  LYS   7           HG2      LYS   7  -5.523  -1.787  -8.156
    6    HG3  LYS   7           HG3      LYS   7  -6.229  -3.222  -8.902
    7    HD2  LYS   7           HD2      LYS   7  -7.421  -1.809 -10.498
    8    HD3  LYS   7           HD3      LYS   7  -6.738  -0.370  -9.739
    9    HE2  LYS   7           HE2      LYS   7  -5.180  -2.568 -11.100
   10    HE3  LYS   7           HE3      LYS   7  -5.504  -0.966 -11.762
   11    HZ1  LYS   7           HZ1      LYS   7  -4.000  -1.443  -9.247
   12    HZ2  LYS   7           HZ2      LYS   7  -3.266  -1.220 -10.755
   13    HZ3  LYS   7           HZ3      LYS   7  -4.184   0.028 -10.068

  No H/Q in entry =          13
  In of MODEL   15
    1    H    ILE   8           H        ILE   8  -5.028  -3.353  -6.602
    2    HA   ILE   8           HA       ILE   8  -4.094  -1.705  -4.350
    3    HB   ILE   8           HB       ILE   8  -2.807  -4.043  -5.782
    4   HG12  ILE   8          HG12      ILE   8  -2.869  -5.182  -3.689
    5   HG13  ILE   8          HG13      ILE   8  -3.309  -3.717  -2.834
    6   HG21  ILE   8          HG21      ILE   8  -1.585  -2.191  -3.760
    7   HG22  ILE   8          HG22      ILE   8  -0.916  -3.761  -4.207
    8   HG23  ILE   8          HG23      ILE   8  -1.047  -2.483  -5.414
    9   HD11  ILE   8          HD11      ILE   8  -5.088  -5.049  -4.838
   10   HD12  ILE   8          HD12      ILE   8  -5.122  -5.396  -3.109
   11   HD13  ILE   8          HD13      ILE   8  -5.505  -3.775  -3.697

  No H/Q in entry =          11
  In of MODEL   15
    1    H    GLN   9           H        GLN   9  -3.049   0.118  -4.731
    2    HA   GLN   9           HA       GLN   9  -1.358   0.299  -7.139
    3    HB2  GLN   9           HB2      GLN   9  -2.905   2.539  -5.838
    4    HB3  GLN   9           HB3      GLN   9  -1.765   2.729  -7.172
    5    HG2  GLN   9           HG2      GLN   9  -3.222   1.496  -8.630
    6    HG3  GLN   9           HG3      GLN   9  -4.300   1.100  -7.291
    7   HE21  GLN   9          HE21      GLN   9  -3.972   3.793  -6.139
    8   HE22  GLN   9          HE22      GLN   9  -4.943   4.847  -7.118

  No H/Q in entry =           8
  In of MODEL   15
    1    H    VAL  10           H        VAL  10   0.706   0.386  -6.509
    2    HA   VAL  10           HA       VAL  10   1.275   1.906  -4.068
    3    HB   VAL  10           HB       VAL  10   1.757  -0.064  -3.043
    4   HG11  VAL  10          HG11      VAL  10   0.977  -1.348  -5.073
    5   HG12  VAL  10          HG12      VAL  10   2.674  -1.435  -5.544
    6   HG13  VAL  10          HG13      VAL  10   2.143  -2.142  -4.011
    7   HG21  VAL  10          HG21      VAL  10   4.254   0.326  -4.686
    8   HG22  VAL  10          HG22      VAL  10   3.897   1.021  -3.104
    9   HG23  VAL  10          HG23      VAL  10   4.132  -0.719  -3.269

  No H/Q in entry =           9
  In of MODEL   15
    1    H    TYR  11           H        TYR  11   2.796   3.279  -4.111
    2    HA   TYR  11           HA       TYR  11   4.740   3.364  -6.300
    3    HB2  TYR  11           HB2      TYR  11   3.243   5.893  -5.564
    4    HB3  TYR  11           HB3      TYR  11   4.216   5.578  -6.986
    5    HD1  TYR  11           HD1      TYR  11   0.894   5.604  -5.606
    6    HD2  TYR  11           HD2      TYR  11   3.252   4.062  -8.792
    7    HE1  TYR  11           HE1      TYR  11  -1.132   5.272  -6.917
    8    HE2  TYR  11           HE2      TYR  11   1.211   3.686 -10.114
    9    HH   TYR  11           HH       TYR  11  -1.180   3.421  -9.809

  No H/Q in entry =           9
  In of MODEL   15
    1    H    SER  12           H        SER  12   6.338   5.293  -5.745
    2    HA   SER  12           HA       SER  12   6.627   5.437  -2.840
    3    HB2  SER  12           HB2      SER  12   8.639   4.886  -4.192
    4    HB3  SER  12           HB3      SER  12   8.475   6.427  -5.029
    5    HG   SER  12           HG       SER  12   9.813   6.010  -2.851

  No H/Q in entry =           5
  In of MODEL   15
    1    H    ARG  13           H        ARG  13   6.493   7.370  -1.736
    2    HA   ARG  13           HA       ARG  13   4.594   9.186  -2.797
    3    HB2  ARG  13           HB2      ARG  13   5.023   8.609  -0.331
    4    HB3  ARG  13           HB3      ARG  13   6.404   9.680  -0.416
    5    HG2  ARG  13           HG2      ARG  13   3.616  10.659  -0.993
    6    HG3  ARG  13           HG3      ARG  13   4.292  10.589   0.628
    7    HD2  ARG  13           HD2      ARG  13   5.603  12.040  -1.656
    8    HD3  ARG  13           HD3      ARG  13   4.509  12.799  -0.510
    9    HE   ARG  13           HE       ARG  13   7.198  11.787   0.057
   10   HH11  ARG  13          HH11      ARG  13   4.271  13.318   1.245
   11   HH12  ARG  13          HH12      ARG  13   5.072  14.071   2.591
   12   HH21  ARG  13          HH21      ARG  13   8.236  12.757   1.834
   13   HH22  ARG  13          HH22      ARG  13   7.321  13.762   2.926

  No H/Q in entry =          13
  In of MODEL   15
    1    H    HIS  14           H        HIS  14   8.080   9.458  -2.313
    2    HA   HIS  14           HA       HIS  14   8.075  11.653  -4.269
    3    HB2  HIS  14           HB2      HIS  14   9.594  11.347  -1.708
    4    HB3  HIS  14           HB3      HIS  14  10.368  12.204  -3.037
    5    HD2  HIS  14           HD2      HIS  14   6.953  13.306  -3.557
    6    HE1  HIS  14           HE1      HIS  14   8.324  15.752  -0.390
    7    HE2  HIS  14           HE2      HIS  14   6.429  15.327  -2.021

  No H/Q in entry =           7
  In of MODEL   15
    1    HA   PRO  15           HA       PRO  15  11.242   9.509  -6.711
    2    HB2  PRO  15           HB2      PRO  15  13.692  10.719  -6.052
    3    HB3  PRO  15           HB3      PRO  15  12.626  11.167  -7.397
    4    HG2  PRO  15           HG2      PRO  15  12.909  12.445  -4.689
    5    HG3  PRO  15           HG3      PRO  15  12.519  13.190  -6.274
    6    HD2  PRO  15           HD2      PRO  15  10.629  12.776  -4.387
    7    HD3  PRO  15           HD3      PRO  15  10.269  12.620  -6.132

  No H/Q in entry =           7
  In of MODEL   15
    1    H    ALA  16           H        ALA  16  12.293   7.644  -6.425
    2    HA   ALA  16           HA       ALA  16  12.884   6.854  -3.687
    3    HB1  ALA  16           HB1      ALA  16  11.371   5.460  -5.020
    4    HB2  ALA  16           HB2      ALA  16  12.667   5.179  -6.182
    5    HB3  ALA  16           HB3      ALA  16  12.818   4.579  -4.529

  No H/Q in entry =           5
  In of MODEL   15
    1    H    GLU  17           H        GLU  17  14.910   6.723  -2.973
    2    HA   GLU  17           HA       GLU  17  17.069   6.330  -4.926
    3    HB2  GLU  17           HB2      GLU  17  16.990   8.655  -4.027
    4    HB3  GLU  17           HB3      GLU  17  17.204   8.002  -2.406
    5    HG2  GLU  17           HG2      GLU  17  19.311   8.804  -3.182
    6    HG3  GLU  17           HG3      GLU  17  19.372   7.043  -3.147

  No H/Q in entry =           6
  In of MODEL   15
    1    H    ASN  18           H        ASN  18  18.318   4.641  -4.540
    2    HA   ASN  18           HA       ASN  18  17.852   2.988  -2.226
    3    HB2  ASN  18           HB2      ASN  18  18.159   1.606  -4.018
    4    HB3  ASN  18           HB3      ASN  18  19.281   2.702  -4.825
    5   HD21  ASN  18          HD21      ASN  18  20.788   1.165  -5.304
    6   HD22  ASN  18          HD22      ASN  18  21.746   0.362  -4.107

  No H/Q in entry =           6
  In of MODEL   15
    1    H    GLY  19           H        GLY  19  19.021   2.849  -0.461
    2    HA2  GLY  19           HA2      GLY  19  21.710   3.915  -0.281
    3    HA3  GLY  19           HA3      GLY  19  20.776   3.157   1.021

  No H/Q in entry =           3
  In of MODEL   15
    1    H    LYS  20           H        LYS  20  18.458   4.812   0.399
    2    HA   LYS  20           HA       LYS  20  19.216   7.231   1.818
    3    HB2  LYS  20           HB2      LYS  20  19.511   7.599  -0.661
    4    HB3  LYS  20           HB3      LYS  20  17.789   7.311  -0.838
    5    HG2  LYS  20           HG2      LYS  20  18.045   9.644  -0.824
    6    HG3  LYS  20           HG3      LYS  20  17.393   9.214   0.763
    7    HD2  LYS  20           HD2      LYS  20  19.793   9.251   1.608
    8    HD3  LYS  20           HD3      LYS  20  20.230   9.973   0.066
    9    HE2  LYS  20           HE2      LYS  20  18.693  11.866   0.535
   10    HE3  LYS  20           HE3      LYS  20  18.315  11.148   2.103
   11    HZ1  LYS  20           HZ1      LYS  20  21.005  12.044   1.220
   12    HZ2  LYS  20           HZ2      LYS  20  19.982  12.884   2.282
   13    HZ3  LYS  20           HZ3      LYS  20  20.628  11.384   2.737

  No H/Q in entry =          13
  In of MODEL   15
    1    H    SER  21           H        SER  21  17.519   8.106   2.943
    2    HA   SER  21           HA       SER  21  15.314   6.495   3.537
    3    HB2  SER  21           HB2      SER  21  14.545   8.453   4.821
    4    HB3  SER  21           HB3      SER  21  16.263   8.140   5.066
    5    HG   SER  21           HG       SER  21  15.514   9.901   3.037

  No H/Q in entry =           5
  In of MODEL   15
    1    H    ASN  22           H        ASN  22  13.328   6.390   2.792
    2    HA   ASN  22           HA       ASN  22  12.363   8.305   0.778
    3    HB2  ASN  22           HB2      ASN  22  13.551   6.197  -0.261
    4    HB3  ASN  22           HB3      ASN  22  12.185   5.301   0.375
    5   HD21  ASN  22          HD21      ASN  22  11.721   8.558  -0.857
    6   HD22  ASN  22          HD22      ASN  22  10.884   8.063  -2.291

  No H/Q in entry =           6
  In of MODEL   15
    1    H    PHE  23           H        PHE  23   9.943   7.839   0.362
    2    HA   PHE  23           HA       PHE  23   8.727   6.719   2.800
    3    HB2  PHE  23           HB2      PHE  23   7.956   9.236   1.319
    4    HB3  PHE  23           HB3      PHE  23   6.900   8.450   2.475
    5    HD1  PHE  23           HD1      PHE  23  10.570   9.000   2.777
    6    HD2  PHE  23           HD2      PHE  23   6.674  10.078   4.100
    7    HE1  PHE  23           HE1      PHE  23  11.562  10.371   4.561
    8    HE2  PHE  23           HE2      PHE  23   7.656  11.458   5.888
    9    HZ   PHE  23           HZ       PHE  23  10.104  11.599   6.124

  No H/Q in entry =           9
  In of MODEL   15
    1    H    LEU  24           H        LEU  24   7.244   5.160   2.406
    2    HA   LEU  24           HA       LEU  24   6.749   4.434  -0.362
    3    HB2  LEU  24           HB2      LEU  24   7.066   3.039   2.020
    4    HB3  LEU  24           HB3      LEU  24   5.364   2.857   1.657
    5    HG   LEU  24           HG       LEU  24   7.705   1.976  -0.065
    6   HD11  LEU  24          HD11      LEU  24   7.206   0.532   1.842
    7   HD12  LEU  24          HD12      LEU  24   5.519   0.437   1.339
    8   HD13  LEU  24          HD13      LEU  24   6.780  -0.260   0.323
    9   HD21  LEU  24          HD21      LEU  24   4.745   1.870  -0.684
   10   HD22  LEU  24          HD22      LEU  24   5.980   2.771  -1.567
   11   HD23  LEU  24          HD23      LEU  24   5.995   1.010  -1.577

  No H/Q in entry =          11
  In of MODEL   15
    1    H    ASN  25           H        ASN  25   4.624   3.941  -1.132
    2    HA   ASN  25           HA       ASN  25   2.387   4.961   0.424
    3    HB2  ASN  25           HB2      ASN  25   2.936   6.856  -0.958
    4    HB3  ASN  25           HB3      ASN  25   3.055   5.845  -2.398
    5   HD21  ASN  25          HD21      ASN  25   0.977   7.459  -0.169
    6   HD22  ASN  25          HD22      ASN  25  -0.489   7.257  -1.070

  No H/Q in entry =           6
  In of MODEL   15
    1    H    CYS  26           H        CYS  26   0.952   3.374   0.526
    2    HA   CYS  26           HA       CYS  26   0.584   1.640  -1.812
    3    HB2  CYS  26           HB2      CYS  26   0.358   0.752   1.055
    4    HB3  CYS  26           HB3      CYS  26   0.226  -0.270  -0.363

  No H/Q in entry =           4
  In of MODEL   15
    1    H    TYR  27           H        TYR  27  -1.405   1.750  -2.561
    2    HA   TYR  27           HA       TYR  27  -3.365   3.232  -0.937
    3    HB2  TYR  27           HB2      TYR  27  -2.019   4.062  -3.306
    4    HB3  TYR  27           HB3      TYR  27  -3.693   3.758  -3.736
    5    HD1  TYR  27           HD1      TYR  27  -5.467   4.907  -2.046
    6    HD2  TYR  27           HD2      TYR  27  -1.437   6.167  -2.615
    7    HE1  TYR  27           HE1      TYR  27  -6.067   7.172  -1.301
    8    HE2  TYR  27           HE2      TYR  27  -2.029   8.420  -1.845
    9    HH   TYR  27           HH       TYR  27  -4.944   9.130  -0.293

  No H/Q in entry =           9
  In of MODEL   15
    1    H    VAL  28           H        VAL  28  -4.976   1.869  -0.580
    2    HA   VAL  28           HA       VAL  28  -5.831   0.145  -2.783
    3    HB   VAL  28           HB       VAL  28  -6.987  -0.036  -0.027
    4   HG11  VAL  28          HG11      VAL  28  -6.436  -2.017  -2.225
    5   HG12  VAL  28          HG12      VAL  28  -7.148  -2.427  -0.661
    6   HG13  VAL  28          HG13      VAL  28  -8.009  -1.363  -1.779
    7   HG21  VAL  28          HG21      VAL  28  -4.351  -1.184  -0.922
    8   HG22  VAL  28          HG22      VAL  28  -4.613  -0.022   0.385
    9   HG23  VAL  28          HG23      VAL  28  -5.215  -1.673   0.541

  No H/Q in entry =           9
  In of MODEL   15
    1    H    SER  29           H        SER  29  -7.968   0.340  -3.575
    2    HA   SER  29           HA       SER  29  -8.708   3.156  -3.333
    3    HB2  SER  29           HB2      SER  29  -9.719   2.560  -5.715
    4    HB3  SER  29           HB3      SER  29  -8.015   2.958  -5.486
    5    HG   SER  29           HG       SER  29  -7.577   0.709  -5.410

  No H/Q in entry =           5
  In of MODEL   15
    1    H    GLY  30           H        GLY  30 -11.048   3.339  -4.644
    2    HA2  GLY  30           HA2      GLY  30 -13.240   3.552  -4.045
    3    HA3  GLY  30           HA3      GLY  30 -12.636   3.341  -2.410

  No H/Q in entry =           3
  In of MODEL   15
    1    H    PHE  31           H        PHE  31 -13.368   1.780  -1.308
    2    HA   PHE  31           HA       PHE  31 -14.695  -0.511  -2.607
    3    HB2  PHE  31           HB2      PHE  31 -13.740  -1.954  -0.827
    4    HB3  PHE  31           HB3      PHE  31 -12.462  -1.177  -1.785
    5    HD1  PHE  31           HD1      PHE  31 -14.278  -1.056   1.431
    6    HD2  PHE  31           HD2      PHE  31 -10.925   0.309  -0.792
    7    HE1  PHE  31           HE1      PHE  31 -13.312  -0.098   3.471
    8    HE2  PHE  31           HE2      PHE  31  -9.969   1.257   1.259
    9    HZ   PHE  31           HZ       PHE  31 -11.157   1.077   3.376

  No H/Q in entry =           9
  In of MODEL   15
    1    H    HIS  32           H        HIS  32 -15.778  -1.805  -0.613
    2    HA   HIS  32           HA       HIS  32 -16.882   0.046   1.385
    3    HB2  HIS  32           HB2      HIS  32 -18.709  -1.973   0.004
    4    HB3  HIS  32           HB3      HIS  32 -19.141  -0.766   1.199
    5    HD2  HIS  32           HD2      HIS  32 -17.832  -0.710  -2.526
    6    HE1  HIS  32           HE1      HIS  32 -20.406   2.568  -1.801
    7    HE2  HIS  32           HE2      HIS  32 -19.218   1.209  -3.587

  No H/Q in entry =           7
  In of MODEL   15
    1    HA   PRO  33           HA       PRO  33 -19.044  -0.895   2.969
    2    HB2  PRO  33           HB2      PRO  33 -18.029  -1.068   5.738
    3    HB3  PRO  33           HB3      PRO  33 -19.650  -1.376   5.109
    4    HG2  PRO  33           HG2      PRO  33 -18.085  -3.382   5.899
    5    HG3  PRO  33           HG3      PRO  33 -19.138  -3.544   4.482
    6    HD2  PRO  33           HD2      PRO  33 -16.191  -3.010   4.600
    7    HD3  PRO  33           HD3      PRO  33 -17.093  -4.110   3.533

  No H/Q in entry =           7
  In of MODEL   15
    1    H    SER  34           H        SER  34 -16.269  -0.258   5.273
    2    HA   SER  34           HA       SER  34 -15.706   2.193   3.854
    3    HB2  SER  34           HB2      SER  34 -15.833   3.484   6.002
    4    HB3  SER  34           HB3      SER  34 -17.413   2.919   5.450
    5    HG   SER  34           HG       SER  34 -15.789   1.682   7.441

  No H/Q in entry =           5
  In of MODEL   15
    1    H    ASP  35           H        ASP  35 -14.671  -0.580   4.886
    2    HA   ASP  35           HA       ASP  35 -12.128   0.365   5.969
    3    HB2  ASP  35           HB2      ASP  35 -13.897  -1.629   7.392
    4    HB3  ASP  35           HB3      ASP  35 -12.209  -1.335   7.798

  No H/Q in entry =           4
  In of MODEL   15
    1    H    ILE  36           H        ILE  36 -10.435  -0.757   5.265
    2    HA   ILE  36           HA       ILE  36 -10.715  -3.578   4.496
    3    HB   ILE  36           HB       ILE  36 -10.625  -2.034   2.406
    4   HG12  ILE  36          HG12      ILE  36  -8.806  -4.353   2.985
    5   HG13  ILE  36          HG13      ILE  36 -10.242  -4.297   1.972
    6   HG21  ILE  36          HG21      ILE  36  -7.766  -1.804   3.348
    7   HG22  ILE  36          HG22      ILE  36  -8.360  -1.301   1.764
    8   HG23  ILE  36          HG23      ILE  36  -8.923  -0.479   3.217
    9   HD11  ILE  36          HD11      ILE  36  -7.580  -3.056   1.299
   10   HD12  ILE  36          HD12      ILE  36  -8.196  -4.579   0.661
   11   HD13  ILE  36          HD13      ILE  36  -9.010  -3.064   0.267

  No H/Q in entry =          11
  In of MODEL   15
    1    H    GLU  37           H        GLU  37  -8.602  -4.745   4.782
    2    HA   GLU  37           HA       GLU  37  -6.818  -3.212   6.520
    3    HB2  GLU  37           HB2      GLU  37  -8.139  -5.283   7.380
    4    HB3  GLU  37           HB3      GLU  37  -6.990  -6.203   6.414
    5    HG2  GLU  37           HG2      GLU  37  -6.361  -6.015   8.803
    6    HG3  GLU  37           HG3      GLU  37  -5.145  -5.361   7.701

  No H/Q in entry =           6
  In of MODEL   15
    1    H    VAL  38           H        VAL  38  -4.888  -2.836   5.709
    2    HA   VAL  38           HA       VAL  38  -3.813  -4.625   3.674
    3    HB   VAL  38           HB       VAL  38  -4.226  -3.193   2.032
    4   HG11  VAL  38          HG11      VAL  38  -5.962  -2.153   3.355
    5   HG12  VAL  38          HG12      VAL  38  -4.787  -1.033   4.045
    6   HG13  VAL  38          HG13      VAL  38  -5.156  -0.973   2.318
    7   HG21  VAL  38          HG21      VAL  38  -2.271  -1.392   3.449
    8   HG22  VAL  38          HG22      VAL  38  -1.903  -2.607   2.229
    9   HG23  VAL  38          HG23      VAL  38  -2.825  -1.164   1.787

  No H/Q in entry =           9
  In of MODEL   15
    1    H    ASP  39           H        ASP  39  -1.665  -4.900   3.721
    2    HA   ASP  39           HA       ASP  39  -0.189  -3.485   5.851
    3    HB2  ASP  39           HB2      ASP  39   0.200  -5.360   7.041
    4    HB3  ASP  39           HB3      ASP  39  -1.090  -6.080   6.100

  No H/Q in entry =           4
  In of MODEL   15
    1    H    LEU  40           H        LEU  40   2.143  -3.545   5.635
    2    HA   LEU  40           HA       LEU  40   2.920  -3.802   2.817
    3    HB2  LEU  40           HB2      LEU  40   4.346  -2.155   4.884
    4    HB3  LEU  40           HB3      LEU  40   4.541  -2.097   3.140
    5    HG   LEU  40           HG       LEU  40   2.226  -1.112   4.778
    6   HD11  LEU  40          HD11      LEU  40   4.079   0.223   2.826
    7   HD12  LEU  40          HD12      LEU  40   2.708   0.993   3.621
    8   HD13  LEU  40          HD13      LEU  40   4.075   0.416   4.583
    9   HD21  LEU  40          HD21      LEU  40   1.319  -2.314   2.868
   10   HD22  LEU  40          HD22      LEU  40   1.087  -0.581   2.711
   11   HD23  LEU  40          HD23      LEU  40   2.346  -1.376   1.782

  No H/Q in entry =          11
  In of MODEL   15
    1    H    LEU  41           H        LEU  41   4.738  -4.827   2.216
    2    HA   LEU  41           HA       LEU  41   5.890  -6.609   4.245
    3    HB2  LEU  41           HB2      LEU  41   5.642  -7.285   1.346
    4    HB3  LEU  41           HB3      LEU  41   5.930  -8.354   2.686
    5    HG   LEU  41           HG       LEU  41   3.334  -6.885   2.317
    6   HD11  LEU  41          HD11      LEU  41   4.081  -9.682   1.476
    7   HD12  LEU  41          HD12      LEU  41   2.452  -9.005   1.453
    8   HD13  LEU  41          HD13      LEU  41   3.698  -8.334   0.403
    9   HD21  LEU  41          HD21      LEU  41   4.148  -9.241   4.011
   10   HD22  LEU  41          HD22      LEU  41   3.800  -7.613   4.586
   11   HD23  LEU  41          HD23      LEU  41   2.515  -8.592   3.879

  No H/Q in entry =          11
  In of MODEL   15
    1    H    LYS  42           H        LYS  42   7.723  -7.818   3.190
    2    HA   LYS  42           HA       LYS  42   9.634  -6.251   1.706
    3    HB2  LYS  42           HB2      LYS  42  10.111  -7.002   4.582
    4    HB3  LYS  42           HB3      LYS  42  11.433  -6.710   3.467
    5    HG2  LYS  42           HG2      LYS  42  10.870  -4.460   3.215
    6    HG3  LYS  42           HG3      LYS  42   9.270  -4.686   3.929
    7    HD2  LYS  42           HD2      LYS  42  11.929  -4.924   5.348
    8    HD3  LYS  42           HD3      LYS  42  10.783  -3.589   5.504
    9    HE2  LYS  42           HE2      LYS  42   9.110  -5.150   6.411
   10    HE3  LYS  42           HE3      LYS  42  10.278  -6.463   6.282
   11    HZ1  LYS  42           HZ1      LYS  42  10.667  -4.030   7.938
   12    HZ2  LYS  42           HZ2      LYS  42  10.108  -5.513   8.534
   13    HZ3  LYS  42           HZ3      LYS  42  11.671  -5.393   7.887

  No H/Q in entry =          13
  In of MODEL   15
    1    H    ASN  43           H        ASN  43   9.814  -7.793   0.168
    2    HA   ASN  43           HA       ASN  43  10.253  -9.754  -0.874
    3    HB2  ASN  43           HB2      ASN  43  11.887 -10.047   1.609
    4    HB3  ASN  43           HB3      ASN  43  11.714 -11.433   0.535
    5   HD21  ASN  43          HD21      ASN  43  13.029  -8.224   0.901
    6   HD22  ASN  43          HD22      ASN  43  14.035  -8.278  -0.508

  No H/Q in entry =           6
  In of MODEL   15
    1    H    GLY  44           H        GLY  44   8.527  -9.801   2.044
    2    HA2  GLY  44           HA2      GLY  44   7.699 -12.574   1.823
    3    HA3  GLY  44           HA3      GLY  44   6.486 -11.378   1.363

  No H/Q in entry =           3
  In of MODEL   15
    1    H    GLU  45           H        GLU  45   8.346  -9.958   3.677
    2    HA   GLU  45           HA       GLU  45   6.864 -11.111   5.932
    3    HB2  GLU  45           HB2      GLU  45   9.417  -9.530   5.892
    4    HB3  GLU  45           HB3      GLU  45   8.768 -10.445   7.252
    5    HG2  GLU  45           HG2      GLU  45   9.608 -11.628   4.633
    6    HG3  GLU  45           HG3      GLU  45  10.641 -11.516   6.036

  No H/Q in entry =           6
  In of MODEL   15
    1    H    ARG  46           H        ARG  46   5.816  -9.737   7.391
    2    HA   ARG  46           HA       ARG  46   4.869  -7.301   6.360
    3    HB2  ARG  46           HB2      ARG  46   3.601  -8.724   7.943
    4    HB3  ARG  46           HB3      ARG  46   4.751  -8.284   9.210
    5    HG2  ARG  46           HG2      ARG  46   4.104  -5.927   8.979
    6    HG3  ARG  46           HG3      ARG  46   2.976  -6.354   7.704
    7    HD2  ARG  46           HD2      ARG  46   1.492  -7.386   9.199
    8    HD3  ARG  46           HD3      ARG  46   2.725  -7.524  10.464
    9    HE   ARG  46           HE       ARG  46   2.354  -4.815   9.874
   10   HH11  ARG  46          HH11      ARG  46   0.541  -7.465  11.293
   11   HH12  ARG  46          HH12      ARG  46  -0.363  -6.425  12.348
   12   HH21  ARG  46          HH21      ARG  46   1.163  -3.466  11.265
   13   HH22  ARG  46          HH22      ARG  46  -0.017  -4.165  12.341

  No H/Q in entry =          13
  In of MODEL   15
    1    H    ILE  47           H        ILE  47   5.257  -5.225   6.853
    2    HA   ILE  47           HA       ILE  47   7.689  -4.526   8.317
    3    HB   ILE  47           HB       ILE  47   5.778  -2.802   6.726
    4   HG12  ILE  47          HG12      ILE  47   8.513  -3.750   5.925
    5   HG13  ILE  47          HG13      ILE  47   7.033  -4.556   5.411
    6   HG21  ILE  47          HG21      ILE  47   7.003  -1.549   8.418
    7   HG22  ILE  47          HG22      ILE  47   8.528  -2.208   7.820
    8   HG23  ILE  47          HG23      ILE  47   7.572  -1.131   6.801
    9   HD11  ILE  47          HD11      ILE  47   7.762  -1.696   4.831
   10   HD12  ILE  47          HD12      ILE  47   7.874  -3.049   3.703
   11   HD13  ILE  47          HD13      ILE  47   6.301  -2.525   4.301

  No H/Q in entry =          11
  In of MODEL   15
    1    H    GLU  48           H        GLU  48   7.600  -3.315  10.228
    2    HA   GLU  48           HA       GLU  48   5.026  -3.344  11.522
    3    HB2  GLU  48           HB2      GLU  48   6.668  -2.556  13.464
    4    HB3  GLU  48           HB3      GLU  48   6.496  -4.240  13.004
    5    HG2  GLU  48           HG2      GLU  48   8.630  -2.481  11.864
    6    HG3  GLU  48           HG3      GLU  48   8.847  -3.361  13.360

  No H/Q in entry =           6
  In of MODEL   15
    1    H    LYS  49           H        LYS  49   7.568  -0.908  10.804
    2    HA   LYS  49           HA       LYS  49   6.421   1.270  12.015
    3    HB2  LYS  49           HB2      LYS  49   8.048   1.194   9.489
    4    HB3  LYS  49           HB3      LYS  49   7.778   2.618  10.492
    5    HG2  LYS  49           HG2      LYS  49   8.862   1.509  12.352
    6    HG3  LYS  49           HG3      LYS  49   9.123   0.100  11.363
    7    HD2  LYS  49           HD2      LYS  49  10.231   2.821  10.742
    8    HD3  LYS  49           HD3      LYS  49  11.125   1.525  11.541
    9    HE2  LYS  49           HE2      LYS  49  10.868   0.097   9.613
   10    HE3  LYS  49           HE3      LYS  49   9.867   1.312   8.815
   11    HZ1  LYS  49           HZ1      LYS  49  11.769   2.809   8.788
   12    HZ2  LYS  49           HZ2      LYS  49  12.732   1.634   9.542
   13    HZ3  LYS  49           HZ3      LYS  49  12.127   1.363   7.982

  No H/Q in entry =          13
  In of MODEL   15
    1    H    VAL  50           H        VAL  50   5.021  -0.392   9.473
    2    HA   VAL  50           HA       VAL  50   3.965   1.609   7.861
    3    HB   VAL  50           HB       VAL  50   2.566  -0.928   8.681
    4   HG11  VAL  50          HG11      VAL  50   1.172   0.827   7.582
    5   HG12  VAL  50          HG12      VAL  50   2.247   0.734   6.186
    6   HG13  VAL  50          HG13      VAL  50   1.296  -0.676   6.658
    7   HG21  VAL  50          HG21      VAL  50   4.813  -1.358   7.808
    8   HG22  VAL  50          HG22      VAL  50   3.566  -1.915   6.695
    9   HG23  VAL  50          HG23      VAL  50   4.430  -0.416   6.366

  No H/Q in entry =           9
  In of MODEL   15
    1    H    GLU  51           H        GLU  51   2.531   3.143   8.142
    2    HA   GLU  51           HA       GLU  51   0.616   2.917  10.357
    3    HB2  GLU  51           HB2      GLU  51   2.058   5.432   9.499
    4    HB3  GLU  51           HB3      GLU  51   0.789   5.343  10.711
    5    HG2  GLU  51           HG2      GLU  51   2.247   3.895  12.078
    6    HG3  GLU  51           HG3      GLU  51   3.529   4.119  10.883

  No H/Q in entry =           6
  In of MODEL   15
    1    H    HIS  52           H        HIS  52  -1.378   3.659   9.953
    2    HA   HIS  52           HA       HIS  52  -1.913   4.732   7.271
    3    HB2  HIS  52           HB2      HIS  52  -4.264   4.020   7.580
    4    HB3  HIS  52           HB3      HIS  52  -3.127   2.678   7.605
    5    HD2  HIS  52           HD2      HIS  52  -2.517   1.904  10.435
    6    HE1  HIS  52           HE1      HIS  52  -6.459   2.947  11.549
    7    HE2  HIS  52           HE2      HIS  52  -4.289   1.907  12.329

  No H/Q in entry =           7
  In of MODEL   15
    1    H    SER  53           H        SER  53  -2.602   6.752   7.107
    2    HA   SER  53           HA       SER  53  -2.927   8.289   9.546
    3    HB2  SER  53           HB2      SER  53  -1.495   9.022   7.565
    4    HB3  SER  53           HB3      SER  53  -3.004   9.343   6.714
    5    HG   SER  53           HG       SER  53  -2.224  11.222   7.740

  No H/Q in entry =           5
  In of MODEL   15
    1    H    ASP  54           H        ASP  54  -4.583  10.333   8.542
    2    HA   ASP  54           HA       ASP  54  -7.083   9.628   9.389
    3    HB2  ASP  54           HB2      ASP  54  -6.553  11.935   9.114
    4    HB3  ASP  54           HB3      ASP  54  -6.232  11.727   7.397

  No H/Q in entry =           4
  In of MODEL   15
    1    H    LEU  55           H        LEU  55  -8.705   8.501   8.682
    2    HA   LEU  55           HA       LEU  55  -8.596   6.593   6.768
    3    HB2  LEU  55           HB2      LEU  55 -10.349   7.031   8.617
    4    HB3  LEU  55           HB3      LEU  55 -11.209   7.943   7.400
    5    HG   LEU  55           HG       LEU  55 -12.034   5.611   7.764
    6   HD11  LEU  55          HD11      LEU  55 -12.477   6.833   5.682
    7   HD12  LEU  55          HD12      LEU  55 -11.017   6.134   4.983
    8   HD13  LEU  55          HD13      LEU  55 -12.365   5.088   5.441
    9   HD21  LEU  55          HD21      LEU  55  -9.414   4.866   6.488
   10   HD22  LEU  55          HD22      LEU  55  -9.917   4.507   8.141
   11   HD23  LEU  55          HD23      LEU  55 -10.763   3.768   6.779

  No H/Q in entry =          11
  In of MODEL   15
    1    H    SER  56           H        SER  56 -10.847   9.272   6.240
    2    HA   SER  56           HA       SER  56  -9.943  10.205   3.791
    3    HB2  SER  56           HB2      SER  56 -10.379   7.836   3.036
    4    HB3  SER  56           HB3      SER  56 -12.075   8.063   3.447
    5    HG   SER  56           HG       SER  56 -12.355   9.218   1.698

  No H/Q in entry =           5
  In of MODEL   15
    1    H    PHE  57           H        PHE  57 -12.076  11.006   2.489
    2    HA   PHE  57           HA       PHE  57 -14.135  11.775   4.423
    3    HB2  PHE  57           HB2      PHE  57 -14.198  14.045   3.561
    4    HB3  PHE  57           HB3      PHE  57 -12.568  13.689   4.116
    5    HD1  PHE  57           HD1      PHE  57 -10.817  13.087   2.369
    6    HD2  PHE  57           HD2      PHE  57 -14.597  14.788   1.394
    7    HE1  PHE  57           HE1      PHE  57  -9.931  13.800   0.187
    8    HE2  PHE  57           HE2      PHE  57 -13.717  15.499  -0.790
    9    HZ   PHE  57           HZ       PHE  57 -11.383  15.004  -1.396

  No H/Q in entry =           9
  In of MODEL   15
    1    H    SER  58           H        SER  58 -16.200  11.885   3.555
    2    HA   SER  58           HA       SER  58 -16.658  10.363   1.202
    3    HB2  SER  58           HB2      SER  58 -19.073  11.273   1.632
    4    HB3  SER  58           HB3      SER  58 -18.355  10.149   2.787
    5    HG   SER  58           HG       SER  58 -19.058  11.746   4.060

  No H/Q in entry =           5
  In of MODEL   15
    1    H    LYS  59           H        LYS  59 -17.418  11.065  -0.833
    2    HA   LYS  59           HA       LYS  59 -17.438  13.914  -1.325
    3    HB2  LYS  59           HB2      LYS  59 -15.021  13.097  -1.487
    4    HB3  LYS  59           HB3      LYS  59 -15.529  12.217  -2.924
    5    HG2  LYS  59           HG2      LYS  59 -16.281  14.341  -3.920
    6    HG3  LYS  59           HG3      LYS  59 -15.664  15.189  -2.502
    7    HD2  LYS  59           HD2      LYS  59 -13.409  14.333  -2.996
    8    HD3  LYS  59           HD3      LYS  59 -14.043  13.528  -4.433
    9    HE2  LYS  59           HE2      LYS  59 -13.932  16.499  -3.900
   10    HE3  LYS  59           HE3      LYS  59 -13.014  15.595  -5.100
   11    HZ1  LYS  59           HZ1      LYS  59 -15.959  15.550  -5.187
   12    HZ2  LYS  59           HZ2      LYS  59 -15.121  16.885  -5.809
   13    HZ3  LYS  59           HZ3      LYS  59 -14.847  15.340  -6.444

  No H/Q in entry =          13
  In of MODEL   15
    1    H    ASP  60           H        ASP  60 -16.829  11.299  -3.678
    2    HA   ASP  60           HA       ASP  60 -19.556  11.648  -4.664
    3    HB2  ASP  60           HB2      ASP  60 -17.044  11.973  -6.317
    4    HB3  ASP  60           HB3      ASP  60 -18.655  11.792  -7.001

  No H/Q in entry =           4
  In of MODEL   15
    1    H    TRP  61           H        TRP  61 -16.504  10.011  -5.494
    2    HA   TRP  61           HA       TRP  61 -17.831   7.727  -6.538
    3    HB2  TRP  61           HB2      TRP  61 -14.930   8.141  -5.787
    4    HB3  TRP  61           HB3      TRP  61 -15.546   6.754  -6.676
    5    HD1  TRP  61           HD1      TRP  61 -16.098   7.083  -9.236
    6    HE1  TRP  61           HE1      TRP  61 -15.533   8.941 -10.929
    7    HE3  TRP  61           HE3      TRP  61 -14.639  10.726  -5.961
    8    HZ2  TRP  61           HZ2      TRP  61 -14.594  11.604 -10.870
    9    HZ3  TRP  61           HZ3      TRP  61 -13.918  12.901  -6.842
   10    HH2  TRP  61           HH2      TRP  61 -13.896  13.335  -9.279

  No H/Q in entry =          10
  In of MODEL   15
    1    H    SER  62           H        SER  62 -15.409   7.739  -3.953
    2    HA   SER  62           HA       SER  62 -17.063   6.439  -2.041
    3    HB2  SER  62           HB2      SER  62 -16.654   4.526  -3.642
    4    HB3  SER  62           HB3      SER  62 -14.917   4.732  -3.374
    5    HG   SER  62           HG       SER  62 -16.634   3.317  -1.933

  No H/Q in entry =           5
  In of MODEL   15
    1    H    PHE  63           H        PHE  63 -14.994   5.120  -0.650
    2    HA   PHE  63           HA       PHE  63 -13.375   7.450   0.150
    3    HB2  PHE  63           HB2      PHE  63 -13.896   5.026   1.865
    4    HB3  PHE  63           HB3      PHE  63 -13.425   6.642   2.372
    5    HD1  PHE  63           HD1      PHE  63 -15.055   8.246   2.967
    6    HD2  PHE  63           HD2      PHE  63 -16.237   4.652   1.006
    7    HE1  PHE  63           HE1      PHE  63 -17.420   8.753   3.460
    8    HE2  PHE  63           HE2      PHE  63 -18.597   5.156   1.494
    9    HZ   PHE  63           HZ       PHE  63 -19.186   7.208   2.720

  No H/Q in entry =           9
  In of MODEL   15
    1    H    TYR  64           H        TYR  64 -11.173   7.144   0.606
    2    HA   TYR  64           HA       TYR  64 -10.044   4.631  -0.432
    3    HB2  TYR  64           HB2      TYR  64  -8.460   7.150  -0.641
    4    HB3  TYR  64           HB3      TYR  64  -8.504   5.757  -1.726
    5    HD1  TYR  64           HD1      TYR  64 -10.267   5.585  -3.448
    6    HD2  TYR  64           HD2      TYR  64  -9.971   8.991  -0.916
    7    HE1  TYR  64           HE1      TYR  64 -11.752   6.838  -4.964
    8    HE2  TYR  64           HE2      TYR  64 -11.449  10.249  -2.416
    9    HH   TYR  64           HH       TYR  64 -12.175  10.228  -4.718

  No H/Q in entry =           9
  In of MODEL   15
    1    H    LEU  65           H        LEU  65  -8.156   3.849   0.701
    2    HA   LEU  65           HA       LEU  65  -7.524   5.333   3.164
    3    HB2  LEU  65           HB2      LEU  65  -8.925   3.702   4.002
    4    HB3  LEU  65           HB3      LEU  65  -8.369   2.480   2.874
    5    HG   LEU  65           HG       LEU  65  -6.431   3.422   4.929
    6   HD11  LEU  65          HD11      LEU  65  -8.635   3.187   6.081
    7   HD12  LEU  65          HD12      LEU  65  -8.645   1.497   5.579
    8   HD13  LEU  65          HD13      LEU  65  -7.379   2.097   6.652
    9   HD21  LEU  65          HD21      LEU  65  -5.881   1.720   3.219
   10   HD22  LEU  65          HD22      LEU  65  -5.775   1.102   4.867
   11   HD23  LEU  65          HD23      LEU  65  -7.168   0.699   3.864

  No H/Q in entry =          11
  In of MODEL   15
    1    H    LEU  66           H        LEU  66  -5.432   5.458   3.772
    2    HA   LEU  66           HA       LEU  66  -3.499   4.476   1.790
    3    HB2  LEU  66           HB2      LEU  66  -4.033   7.027   2.532
    4    HB3  LEU  66           HB3      LEU  66  -2.808   6.623   3.695
    5    HG   LEU  66           HG       LEU  66  -2.435   6.514   0.711
    6   HD11  LEU  66          HD11      LEU  66  -1.535   8.526   2.775
    7   HD12  LEU  66          HD12      LEU  66  -0.978   8.495   1.106
    8   HD13  LEU  66          HD13      LEU  66  -2.678   8.802   1.463
    9   HD21  LEU  66          HD21      LEU  66  -0.440   6.167   2.940
   10   HD22  LEU  66          HD22      LEU  66  -0.994   4.916   1.830
   11   HD23  LEU  66          HD23      LEU  66  -0.049   6.280   1.221

  No H/Q in entry =          11
  In of MODEL   15
    1    H    TYR  67           H        TYR  67  -1.830   3.262   2.431
    2    HA   TYR  67           HA       TYR  67  -1.131   3.125   5.287
    3    HB2  TYR  67           HB2      TYR  67  -1.858   0.925   3.467
    4    HB3  TYR  67           HB3      TYR  67  -0.424   0.669   4.445
    5    HD1  TYR  67           HD1      TYR  67  -0.578   0.573   6.898
    6    HD2  TYR  67           HD2      TYR  67  -4.055   0.867   4.450
    7    HE1  TYR  67           HE1      TYR  67  -1.962  -0.237   8.773
    8    HE2  TYR  67           HE2      TYR  67  -5.425   0.050   6.320
    9    HH   TYR  67           HH       TYR  67  -4.922  -1.453   8.462

  No H/Q in entry =           9
  In of MODEL   15
    1    H    TYR  68           H        TYR  68   0.882   3.792   5.569
    2    HA   TYR  68           HA       TYR  68   2.833   3.287   3.423
    3    HB2  TYR  68           HB2      TYR  68   3.654   5.608   3.514
    4    HB3  TYR  68           HB3      TYR  68   1.964   5.542   3.002
    5    HD1  TYR  68           HD1      TYR  68   4.299   6.719   5.523
    6    HD2  TYR  68           HD2      TYR  68   0.181   6.271   4.562
    7    HE1  TYR  68           HE1      TYR  68   3.718   8.342   7.276
    8    HE2  TYR  68           HE2      TYR  68  -0.411   7.901   6.305
    9    HH   TYR  68           HH       TYR  68   1.804   9.933   7.759

  No H/Q in entry =           9
  In of MODEL   15
    1    H    THR  69           H        THR  69   5.079   3.778   4.056
    2    HA   THR  69           HA       THR  69   5.647   3.855   6.908
    3    HB   THR  69           HB       THR  69   5.298   1.447   6.494
    4    HG1  THR  69           HG1      THR  69   7.998   1.296   6.755
    5   HG21  THR  69          HG21      THR  69   7.498   1.776   4.452
    6   HG22  THR  69          HG22      THR  69   6.909   0.222   5.046
    7   HG23  THR  69          HG23      THR  69   5.828   1.290   4.146

  No H/Q in entry =           7
  In of MODEL   15
    1    H    GLU  70           H        GLU  70   7.679   4.700   7.316
    2    HA   GLU  70           HA       GLU  70   9.196   5.697   5.094
    3    HB2  GLU  70           HB2      GLU  70   9.892   5.722   8.037
    4    HB3  GLU  70           HB3      GLU  70  10.568   6.750   6.784
    5    HG2  GLU  70           HG2      GLU  70   8.304   7.639   6.400
    6    HG3  GLU  70           HG3      GLU  70   7.773   6.743   7.815

  No H/Q in entry =           6
  In of MODEL   15
    1    H    PHE  71           H        PHE  71  11.062   4.916   4.319
    2    HA   PHE  71           HA       PHE  71  12.264   2.650   5.624
    3    HB2  PHE  71           HB2      PHE  71  12.087   1.136   3.697
    4    HB3  PHE  71           HB3      PHE  71  10.500   1.566   4.315
    5    HD1  PHE  71           HD1      PHE  71  11.258   0.406   1.592
    6    HD2  PHE  71           HD2      PHE  71  10.549   4.372   2.920
    7    HE1  PHE  71           HE1      PHE  71  10.545   1.029  -0.684
    8    HE2  PHE  71           HE2      PHE  71   9.845   5.013   0.645
    9    HZ   PHE  71           HZ       PHE  71   9.853   3.346  -1.170

  No H/Q in entry =           9
  In of MODEL   15
    1    H    THR  72           H        THR  72  14.308   1.978   4.623
    2    HA   THR  72           HA       THR  72  15.459   4.006   2.837
    3    HB   THR  72           HB       THR  72  16.976   2.224   4.754
    4    HG1  THR  72           HG1      THR  72  15.531   4.424   5.260
    5   HG21  THR  72          HG21      THR  72  18.291   3.003   2.835
    6   HG22  THR  72          HG22      THR  72  17.828   4.670   3.188
    7   HG23  THR  72          HG23      THR  72  18.832   3.772   4.326

  No H/Q in entry =           7
  In of MODEL   15
    1    HA   PRO  73           HA       PRO  73  15.027   0.142   0.267
    2    HB2  PRO  73           HB2      PRO  73  15.593   1.664  -2.032
    3    HB3  PRO  73           HB3      PRO  73  13.973   1.238  -1.444
    4    HG2  PRO  73           HG2      PRO  73  15.538   3.753  -1.083
    5    HG3  PRO  73           HG3      PRO  73  13.790   3.545  -1.314
    6    HD2  PRO  73           HD2      PRO  73  14.809   4.108   1.097
    7    HD3  PRO  73           HD3      PRO  73  13.440   2.982   0.918

  No H/Q in entry =           7
  In of MODEL   15
    1    H    THR  74           H        THR  74  16.517  -1.101  -0.711
    2    HA   THR  74           HA       THR  74  19.185  -0.002  -1.177
    3    HB   THR  74           HB       THR  74  20.303  -1.887  -0.128
    4    HG1  THR  74           HG1      THR  74  17.776  -2.815   0.775
    5   HG21  THR  74          HG21      THR  74  19.747  -0.017   1.361
    6   HG22  THR  74          HG22      THR  74  18.212  -0.791   1.756
    7   HG23  THR  74          HG23      THR  74  19.732  -1.555   2.227

  No H/Q in entry =           7
  In of MODEL   15
    1    H    GLU  75           H        GLU  75  20.504  -1.637  -2.473
    2    HA   GLU  75           HA       GLU  75  19.130  -2.430  -4.765
    3    HB2  GLU  75           HB2      GLU  75  21.705  -2.169  -4.170
    4    HB3  GLU  75           HB3      GLU  75  21.596  -3.900  -3.968
    5    HG2  GLU  75           HG2      GLU  75  22.258  -3.701  -6.135
    6    HG3  GLU  75           HG3      GLU  75  20.515  -3.818  -6.289

  No H/Q in entry =           6
  In of MODEL   15
    1    H    LYS  76           H        LYS  76  19.825  -4.156  -1.822
    2    HA   LYS  76           HA       LYS  76  19.275  -6.734  -2.916
    3    HB2  LYS  76           HB2      LYS  76  20.066  -5.797  -0.161
    4    HB3  LYS  76           HB3      LYS  76  19.840  -7.484  -0.590
    5    HG2  LYS  76           HG2      LYS  76  21.835  -7.612  -1.603
    6    HG3  LYS  76           HG3      LYS  76  21.668  -6.026  -2.354
    7    HD2  LYS  76           HD2      LYS  76  22.262  -4.941  -0.283
    8    HD3  LYS  76           HD3      LYS  76  22.349  -6.503   0.539
    9    HE2  LYS  76           HE2      LYS  76  24.100  -5.615  -1.760
   10    HE3  LYS  76           HE3      LYS  76  24.580  -5.658  -0.063
   11    HZ1  LYS  76           HZ1      LYS  76  24.111  -8.086  -0.118
   12    HZ2  LYS  76           HZ2      LYS  76  23.889  -7.967  -1.792
   13    HZ3  LYS  76           HZ3      LYS  76  25.398  -7.610  -1.112

  No H/Q in entry =          13
  In of MODEL   15
    1    H    ASP  77           H        ASP  77  17.510  -4.342  -1.029
    2    HA   ASP  77           HA       ASP  77  15.753  -6.463  -0.026
    3    HB2  ASP  77           HB2      ASP  77  14.805  -4.781   1.473
    4    HB3  ASP  77           HB3      ASP  77  16.553  -4.799   1.608

  No H/Q in entry =           4
  In of MODEL   15
    1    H    GLU  78           H        GLU  78  13.351  -5.774   0.099
    2    HA   GLU  78           HA       GLU  78  12.361  -4.250  -2.111
    3    HB2  GLU  78           HB2      GLU  78  12.822  -6.278  -3.351
    4    HB3  GLU  78           HB3      GLU  78  12.130  -7.274  -2.089
    5    HG2  GLU  78           HG2      GLU  78  10.218  -5.381  -3.330
    6    HG3  GLU  78           HG3      GLU  78  10.873  -6.612  -4.401

  No H/Q in entry =           6
  In of MODEL   15
    1    H    TYR  79           H        TYR  79  10.206  -3.717  -1.772
    2    HA   TYR  79           HA       TYR  79   9.005  -4.707   0.692
    3    HB2  TYR  79           HB2      TYR  79   8.766  -1.879  -0.358
    4    HB3  TYR  79           HB3      TYR  79   8.155  -2.496   1.174
    5    HD1  TYR  79           HD1      TYR  79   9.425  -2.201   3.099
    6    HD2  TYR  79           HD2      TYR  79  11.365  -2.019  -0.682
    7    HE1  TYR  79           HE1      TYR  79  11.521  -1.542   4.207
    8    HE2  TYR  79           HE2      TYR  79  13.460  -1.361   0.417
    9    HH   TYR  79           HH       TYR  79  14.370  -0.609   2.364

  No H/Q in entry =           9
  In of MODEL   15
    1    H    ALA  80           H        ALA  80   6.709  -4.820   0.701
    2    HA   ALA  80           HA       ALA  80   5.467  -4.601  -1.960
    3    HB1  ALA  80           HB1      ALA  80   6.224  -6.964  -1.421
    4    HB2  ALA  80           HB2      ALA  80   4.530  -6.756  -1.876
    5    HB3  ALA  80           HB3      ALA  80   4.969  -6.968  -0.182

  No H/Q in entry =           5
  In of MODEL   15
    1    H    CYS  81           H        CYS  81   3.076  -4.648  -1.875
    2    HA   CYS  81           HA       CYS  81   2.037  -3.741   0.729
    3    HB2  CYS  81           HB2      CYS  81   1.085  -2.766  -1.974
    4    HB3  CYS  81           HB3      CYS  81   0.657  -2.097  -0.407

  No H/Q in entry =           4
  In of MODEL   15
    1    H    ARG  82           H        ARG  82   0.280  -4.838   1.482
    2    HA   ARG  82           HA       ARG  82  -0.930  -6.941  -0.240
    3    HB2  ARG  82           HB2      ARG  82   0.529  -7.573   1.829
    4    HB3  ARG  82           HB3      ARG  82  -0.815  -6.955   2.768
    5    HG2  ARG  82           HG2      ARG  82  -2.222  -8.640   1.355
    6    HG3  ARG  82           HG3      ARG  82  -0.651  -9.411   1.097
    7    HD2  ARG  82           HD2      ARG  82  -2.072  -8.895   3.695
    8    HD3  ARG  82           HD3      ARG  82  -1.578 -10.448   3.024
    9    HE   ARG  82           HE       ARG  82   0.422  -8.464   3.864
   10   HH11  ARG  82          HH11      ARG  82  -1.019 -11.663   4.143
   11   HH12  ARG  82          HH12      ARG  82   0.154 -12.221   5.291
   12   HH21  ARG  82          HH21      ARG  82   1.919  -9.195   5.405
   13   HH22  ARG  82          HH22      ARG  82   1.825 -10.825   6.003

  No H/Q in entry =          13
  In of MODEL   15
    1    H    VAL  83           H        VAL  83  -3.209  -7.113  -0.211
    2    HA   VAL  83           HA       VAL  83  -4.555  -5.667   1.955
    3    HB   VAL  83           HB       VAL  83  -6.160  -4.636   0.676
    4   HG11  VAL  83          HG11      VAL  83  -3.678  -4.571  -0.979
    5   HG12  VAL  83          HG12      VAL  83  -5.018  -3.432  -1.103
    6   HG13  VAL  83          HG13      VAL  83  -4.083  -3.538   0.391
    7   HG21  VAL  83          HG21      VAL  83  -5.425  -6.416  -1.639
    8   HG22  VAL  83          HG22      VAL  83  -6.894  -6.502  -0.664
    9   HG23  VAL  83          HG23      VAL  83  -6.601  -5.104  -1.699

  No H/Q in entry =           9
  In of MODEL   15
    1    H    ASN  84           H        ASN  84  -6.268  -6.598   2.811
    2    HA   ASN  84           HA       ASN  84  -7.083  -9.212   1.755
    3    HB2  ASN  84           HB2      ASN  84  -7.168  -8.305   4.654
    4    HB3  ASN  84           HB3      ASN  84  -7.533  -9.913   4.052
    5   HD21  ASN  84          HD21      ASN  84  -4.976  -7.603   4.652
    6   HD22  ASN  84          HD22      ASN  84  -3.683  -8.751   4.617

  No H/Q in entry =           6
  In of MODEL   15
    1    H    HIS  85           H        HIS  85  -9.105  -9.165   0.938
    2    HA   HIS  85           HA       HIS  85 -11.176  -7.848   2.522
    3    HB2  HIS  85           HB2      HIS  85 -10.358  -6.418   0.507
    4    HB3  HIS  85           HB3      HIS  85 -11.171  -7.626  -0.481
    5    HD2  HIS  85           HD2      HIS  85 -12.125  -4.916   2.221
    6    HE1  HIS  85           HE1      HIS  85 -15.529  -5.976  -0.059
    7    HE2  HIS  85           HE2      HIS  85 -14.571  -4.311   1.589

  No H/Q in entry =           7
  In of MODEL   15
    1    H    VAL  86           H        VAL  86 -13.382  -8.678   1.776
    2    HA   VAL  86           HA       VAL  86 -13.280 -11.515   1.733
    3    HB   VAL  86           HB       VAL  86 -15.093 -10.146   2.793
    4   HG11  VAL  86          HG11      VAL  86 -15.984  -9.787  -0.062
    5   HG12  VAL  86          HG12      VAL  86 -16.965  -9.418   1.355
    6   HG13  VAL  86          HG13      VAL  86 -15.474  -8.522   1.057
    7   HG21  VAL  86          HG21      VAL  86 -15.363 -12.542   2.431
    8   HG22  VAL  86          HG22      VAL  86 -16.899 -11.695   2.241
    9   HG23  VAL  86          HG23      VAL  86 -16.007 -12.234   0.818

  No H/Q in entry =           9
  In of MODEL   15
    1    H    THR  87           H        THR  87 -13.385  -9.119  -0.747
    2    HA   THR  87           HA       THR  87 -14.631 -10.643  -2.771
    3    HB   THR  87           HB       THR  87 -13.589  -8.921  -4.274
    4    HG1  THR  87           HG1      THR  87 -12.886  -7.365  -2.092
    5   HG21  THR  87          HG21      THR  87 -15.167  -8.042  -1.869
    6   HG22  THR  87          HG22      THR  87 -14.841  -6.989  -3.247
    7   HG23  THR  87          HG23      THR  87 -15.780  -8.473  -3.467

  No H/Q in entry =           7
  In of MODEL   15
    1    H    LEU  88           H        LEU  88 -11.248  -9.927  -2.016
    2    HA   LEU  88           HA       LEU  88 -10.243 -11.423  -4.232
    3    HB2  LEU  88           HB2      LEU  88  -8.855 -10.371  -1.751
    4    HB3  LEU  88           HB3      LEU  88  -8.029 -11.089  -3.118
    5    HG   LEU  88           HG       LEU  88  -9.599  -8.510  -3.122
    6   HD11  LEU  88          HD11      LEU  88  -7.372  -8.391  -2.054
    7   HD12  LEU  88          HD12      LEU  88  -6.645  -9.010  -3.548
    8   HD13  LEU  88          HD13      LEU  88  -7.469  -7.441  -3.547
    9   HD21  LEU  88          HD21      LEU  88  -9.901  -9.696  -5.224
   10   HD22  LEU  88          HD22      LEU  88  -8.872  -8.281  -5.447
   11   HD23  LEU  88          HD23      LEU  88  -8.155  -9.892  -5.380

  No H/Q in entry =          11
  In of MODEL   15
    1    H    SER  89           H        SER  89 -10.445 -13.587  -4.248
    2    HA   SER  89           HA       SER  89 -11.050 -15.151  -1.997
    3    HB2  SER  89           HB2      SER  89 -10.691 -17.071  -3.523
    4    HB3  SER  89           HB3      SER  89 -11.673 -15.810  -4.259
    5    HG   SER  89           HG       SER  89 -10.056 -16.582  -5.684

  No H/Q in entry =           5
  In of MODEL   15
    1    H    GLN  90           H        GLN  90  -8.106 -13.914  -3.152
    2    HA   GLN  90           HA       GLN  90  -6.650 -15.220  -1.019
    3    HB2  GLN  90           HB2      GLN  90  -5.398 -14.893  -3.745
    4    HB3  GLN  90           HB3      GLN  90  -4.815 -15.847  -2.395
    5    HG2  GLN  90           HG2      GLN  90  -6.239 -17.602  -2.832
    6    HG3  GLN  90           HG3      GLN  90  -7.395 -16.577  -3.697
    7   HE21  GLN  90          HE21      GLN  90  -7.438 -18.001  -5.429
    8   HE22  GLN  90          HE22      GLN  90  -6.126 -18.129  -6.549

  No H/Q in entry =           8
  In of MODEL   15
    1    HA   PRO  91           HA       PRO  91  -6.022 -10.713  -0.450
    2    HB2  PRO  91           HB2      PRO  91  -3.563 -11.950   0.765
    3    HB3  PRO  91           HB3      PRO  91  -4.510 -10.543   1.311
    4    HG2  PRO  91           HG2      PRO  91  -4.913 -12.847   2.487
    5    HG3  PRO  91           HG3      PRO  91  -6.317 -11.871   1.972
    6    HD2  PRO  91           HD2      PRO  91  -5.121 -14.340   0.717
    7    HD3  PRO  91           HD3      PRO  91  -6.848 -13.875   0.839

  No H/Q in entry =           7
  In of MODEL   15
    1    H    LYS  92           H        LYS  92  -4.930  -9.201  -1.519
    2    HA   LYS  92           HA       LYS  92  -3.242 -10.147  -3.666
    3    HB2  LYS  92           HB2      LYS  92  -5.180  -8.633  -4.101
    4    HB3  LYS  92           HB3      LYS  92  -4.326  -7.368  -3.230
    5    HG2  LYS  92           HG2      LYS  92  -3.959  -7.072  -5.574
    6    HG3  LYS  92           HG3      LYS  92  -2.452  -7.604  -4.819
    7    HD2  LYS  92           HD2      LYS  92  -2.619  -8.903  -6.754
    8    HD3  LYS  92           HD3      LYS  92  -3.187  -9.954  -5.450
    9    HE2  LYS  92           HE2      LYS  92  -4.627 -10.098  -7.438
   10    HE3  LYS  92           HE3      LYS  92  -5.494  -9.476  -6.034
   11    HZ1  LYS  92           HZ1      LYS  92  -4.289  -7.692  -8.073
   12    HZ2  LYS  92           HZ2      LYS  92  -5.870  -8.287  -8.211
   13    HZ3  LYS  92           HZ3      LYS  92  -5.449  -7.308  -6.896

  No H/Q in entry =          13
  In of MODEL   15
    1    H    ILE  93           H        ILE  93  -1.152  -9.969  -3.675
    2    HA   ILE  93           HA       ILE  93   0.131  -7.848  -2.074
    3    HB   ILE  93           HB       ILE  93   1.298 -10.478  -3.005
    4   HG12  ILE  93          HG12      ILE  93   1.749 -10.732  -0.498
    5   HG13  ILE  93          HG13      ILE  93   0.620  -9.409  -0.271
    6   HG21  ILE  93          HG21      ILE  93   2.945  -8.710  -3.230
    7   HG22  ILE  93          HG22      ILE  93   2.667  -8.223  -1.556
    8   HG23  ILE  93          HG23      ILE  93   3.372  -9.801  -1.909
    9   HD11  ILE  93          HD11      ILE  93  -0.005 -12.043  -1.576
   10   HD12  ILE  93          HD12      ILE  93  -0.416 -11.584   0.074
   11   HD13  ILE  93          HD13      ILE  93  -1.146 -10.730  -1.285

  No H/Q in entry =          11
  In of MODEL   15
    1    H    VAL  94           H        VAL  94   1.159  -6.330  -3.165
    2    HA   VAL  94           HA       VAL  94   2.140  -6.929  -5.860
    3    HB   VAL  94           HB       VAL  94   0.893  -4.314  -4.976
    4   HG11  VAL  94          HG11      VAL  94   2.154  -5.081  -7.607
    5   HG12  VAL  94          HG12      VAL  94   1.275  -3.585  -7.294
    6   HG13  VAL  94          HG13      VAL  94   2.783  -3.915  -6.444
    7   HG21  VAL  94          HG21      VAL  94  -0.013  -6.347  -7.015
    8   HG22  VAL  94          HG22      VAL  94  -0.773  -6.020  -5.457
    9   HG23  VAL  94          HG23      VAL  94  -0.776  -4.785  -6.715

  No H/Q in entry =           9
  In of MODEL   15
    1    H    LYS  95           H        LYS  95   4.185  -6.477  -6.127
    2    HA   LYS  95           HA       LYS  95   5.691  -5.627  -3.800
    3    HB2  LYS  95           HB2      LYS  95   7.503  -6.658  -4.752
    4    HB3  LYS  95           HB3      LYS  95   6.227  -7.516  -5.605
    5    HG2  LYS  95           HG2      LYS  95   6.510  -6.134  -7.539
    6    HG3  LYS  95           HG3      LYS  95   7.647  -5.093  -6.677
    7    HD2  LYS  95           HD2      LYS  95   8.858  -7.460  -6.324
    8    HD3  LYS  95           HD3      LYS  95   8.042  -7.775  -7.859
    9    HE2  LYS  95           HE2      LYS  95   9.917  -5.487  -7.253
   10    HE3  LYS  95           HE3      LYS  95  10.281  -6.904  -8.240
   11    HZ1  LYS  95           HZ1      LYS  95   8.453  -6.210  -9.757
   12    HZ2  LYS  95           HZ2      LYS  95   8.292  -4.776  -8.866
   13    HZ3  LYS  95           HZ3      LYS  95   9.734  -5.098  -9.700

  No H/Q in entry =          13
  In of MODEL   15
    1    H    TRP  96           H        TRP  96   7.098  -3.812  -3.750
    2    HA   TRP  96           HA       TRP  96   6.348  -1.682  -5.586
    3    HB2  TRP  96           HB2      TRP  96   6.435  -1.130  -3.184
    4    HB3  TRP  96           HB3      TRP  96   8.116  -1.659  -3.101
    5    HD1  TRP  96           HD1      TRP  96   5.974   1.127  -4.715
    6    HE1  TRP  96           HE1      TRP  96   7.493   3.137  -5.171
    7    HE3  TRP  96           HE3      TRP  96  10.450  -0.919  -3.343
    8    HZ2  TRP  96           HZ2      TRP  96  10.242   3.784  -4.977
    9    HZ3  TRP  96           HZ3      TRP  96  12.481   0.454  -3.502
   10    HH2  TRP  96           HH2      TRP  96  12.376   2.778  -4.291

  No H/Q in entry =          10
  In of MODEL   15
    1    H    ASP  97           H        ASP  97   7.727  -0.798  -7.053
    2    HA   ASP  97           HA       ASP  97  10.554  -1.417  -6.994
    3    HB2  ASP  97           HB2      ASP  97  10.553  -2.315  -9.329
    4    HB3  ASP  97           HB3      ASP  97   9.687  -3.350  -8.211

  No H/Q in entry =           4
  In of MODEL   15
    1    H    ARG  98           H        ARG  98  11.698  -0.262  -8.743
    2    HA   ARG  98           HA       ARG  98  10.374   2.310  -9.313
    3    HB2  ARG  98           HB2      ARG  98  12.681   3.283  -9.362
    4    HB3  ARG  98           HB3      ARG  98  12.198   2.694  -7.788
    5    HG2  ARG  98           HG2      ARG  98  13.970   1.347  -7.678
    6    HG3  ARG  98           HG3      ARG  98  13.553   0.603  -9.218
    7    HD2  ARG  98           HD2      ARG  98  14.651   2.706 -10.261
    8    HD3  ARG  98           HD3      ARG  98  15.413   2.932  -8.677
    9    HE   ARG  98           HE       ARG  98  15.703   0.411 -10.189
   10   HH11  ARG  98          HH11      ARG  98  17.097   3.169  -8.520
   11   HH12  ARG  98          HH12      ARG  98  18.725   2.596  -8.667
   12   HH21  ARG  98          HH21      ARG  98  17.858  -0.328 -10.411
   13   HH22  ARG  98          HH22      ARG  98  19.159   0.612  -9.743

  No H/Q in entry =          13
  In of MODEL   15
    1    H    ASP  99           H        ASP  99  12.086  -0.383 -10.508
    2    HA   ASP  99           HA       ASP  99  11.696   0.243 -13.270
    3    HB2  ASP  99           HB2      ASP  99  13.925   0.599 -13.925
    4    HB3  ASP  99           HB3      ASP  99  13.922   1.360 -12.334

  No H/Q in entry =           4
  In of MODEL   15
    1    H    MET 100           H        MET 100  12.663  -1.609 -10.650
    2    HA   MET 100           HA       MET 100  13.638  -3.983 -11.730
    3    HB2  MET 100           HB2      MET 100  12.011  -3.673  -9.196
    4    HB3  MET 100           HB3      MET 100  13.115  -4.987  -9.577
    5    HG2  MET 100           HG2      MET 100  13.918  -2.107  -9.254
    6    HG3  MET 100           HG3      MET 100  14.043  -3.341  -7.996
    7    HE1  MET 100           HE1      MET 100  16.591  -2.847  -7.649
    8    HE2  MET 100           HE2      MET 100  17.783  -2.824  -8.949
    9    HE3  MET 100           HE3      MET 100  16.533  -1.581  -8.876

  No H/Q in entry =           9
  In of MODEL   16
    1    HA   ILE   2           HA       ILE   2 -21.607  -8.794  -5.404
    2    HB   ILE   2           HB       ILE   2 -21.182  -9.840  -3.117
    3   HG12  ILE   2          HG12      ILE   2 -20.515 -12.367  -3.461
    4   HG13  ILE   2          HG13      ILE   2 -19.656 -11.745  -4.863
    5   HG21  ILE   2          HG21      ILE   2 -23.211 -10.218  -4.403
    6   HG22  ILE   2          HG22      ILE   2 -22.430 -11.541  -5.270
    7   HG23  ILE   2          HG23      ILE   2 -22.736 -11.680  -3.538
    8   HD11  ILE   2          HD11      ILE   2 -18.369 -10.261  -3.410
    9   HD12  ILE   2          HD12      ILE   2 -19.232 -10.893  -2.007
   10   HD13  ILE   2          HD13      ILE   2 -18.183 -11.954  -2.949

  No H/Q in entry =          10
  In of MODEL   16
    1    H    GLN   3           H        GLN   3 -21.022  -7.159  -3.935
    2    HA   GLN   3           HA       GLN   3 -19.711  -5.439  -3.232
    3    HB2  GLN   3           HB2      GLN   3 -18.898  -7.444  -1.817
    4    HB3  GLN   3           HB3      GLN   3 -17.511  -7.481  -2.884
    5    HG2  GLN   3           HG2      GLN   3 -16.819  -6.285  -0.985
    6    HG3  GLN   3           HG3      GLN   3 -17.103  -5.072  -2.241
    7   HE21  GLN   3          HE21      GLN   3 -18.950  -3.745  -2.095
    8   HE22  GLN   3          HE22      GLN   3 -19.778  -3.521  -0.596

  No H/Q in entry =           8
  In of MODEL   16
    1    H    ARG   4           H        ARG   4 -17.211  -4.573  -3.563
    2    HA   ARG   4           HA       ARG   4 -16.656  -4.857  -6.435
    3    HB2  ARG   4           HB2      ARG   4 -17.569  -2.656  -6.056
    4    HB3  ARG   4           HB3      ARG   4 -16.464  -2.401  -4.700
    5    HG2  ARG   4           HG2      ARG   4 -14.747  -1.789  -6.034
    6    HG3  ARG   4           HG3      ARG   4 -15.101  -3.067  -7.189
    7    HD2  ARG   4           HD2      ARG   4 -16.427  -0.323  -7.146
    8    HD3  ARG   4           HD3      ARG   4 -15.385  -1.008  -8.386
    9    HE   ARG   4           HE       ARG   4 -17.368  -2.764  -8.405
   10   HH11  ARG   4          HH11      ARG   4 -17.423   0.736  -8.384
   11   HH12  ARG   4          HH12      ARG   4 -19.003   0.848  -9.101
   12   HH21  ARG   4          HH21      ARG   4 -19.452  -2.631  -9.352
   13   HH22  ARG   4          HH22      ARG   4 -20.158  -1.068  -9.652

  No H/Q in entry =          13
  In of MODEL   16
    1    H    THR   5           H        THR   5 -14.538  -5.104  -7.062
    2    HA   THR   5           HA       THR   5 -12.807  -6.099  -5.021
    3    HB   THR   5           HB       THR   5 -11.275  -6.720  -6.813
    4    HG1  THR   5           HG1      THR   5 -11.904  -4.711  -8.071
    5   HG21  THR   5          HG21      THR   5 -14.187  -7.322  -7.240
    6   HG22  THR   5          HG22      THR   5 -12.945  -8.003  -8.287
    7   HG23  THR   5          HG23      THR   5 -12.922  -8.352  -6.565

  No H/Q in entry =           7
  In of MODEL   16
    1    HA   PRO   6           HA       PRO   6 -10.521  -2.241  -4.605
    2    HB2  PRO   6           HB2      PRO   6  -8.925  -3.603  -2.611
    3    HB3  PRO   6           HB3      PRO   6 -10.082  -2.292  -2.382
    4    HG2  PRO   6           HG2      PRO   6 -10.462  -4.874  -1.484
    5    HG3  PRO   6           HG3      PRO   6 -11.780  -3.719  -1.812
    6    HD2  PRO   6           HD2      PRO   6 -10.773  -5.998  -3.481
    7    HD3  PRO   6           HD3      PRO   6 -12.427  -5.371  -3.274

  No H/Q in entry =           7
  In of MODEL   16
    1    H    LYS   7           H        LYS   7  -8.891  -1.775  -5.947
    2    HA   LYS   7           HA       LYS   7  -7.118  -3.946  -6.795
    3    HB2  LYS   7           HB2      LYS   7  -8.203  -2.714  -8.600
    4    HB3  LYS   7           HB3      LYS   7  -7.626  -1.184  -7.953
    5    HG2  LYS   7           HG2      LYS   7  -5.299  -1.944  -8.374
    6    HG3  LYS   7           HG3      LYS   7  -5.958  -3.381  -9.157
    7    HD2  LYS   7           HD2      LYS   7  -7.020  -2.027 -10.847
    8    HD3  LYS   7           HD3      LYS   7  -6.528  -0.547 -10.019
    9    HE2  LYS   7           HE2      LYS   7  -4.643  -2.600 -11.179
   10    HE3  LYS   7           HE3      LYS   7  -5.087  -1.078 -11.952
   11    HZ1  LYS   7           HZ1      LYS   7  -3.708  -1.328  -9.329
   12    HZ2  LYS   7           HZ2      LYS   7  -2.961  -0.919 -10.793
   13    HZ3  LYS   7           HZ3      LYS   7  -4.110   0.122 -10.113

  No H/Q in entry =          13
  In of MODEL   16
    1    H    ILE   8           H        ILE   8  -4.840  -3.603  -6.950
    2    HA   ILE   8           HA       ILE   8  -3.872  -2.071  -4.658
    3    HB   ILE   8           HB       ILE   8  -2.155  -3.902  -6.300
    4   HG12  ILE   8          HG12      ILE   8  -4.125  -5.238  -5.876
    5   HG13  ILE   8          HG13      ILE   8  -2.840  -5.772  -4.802
    6   HG21  ILE   8          HG21      ILE   8  -1.124  -2.527  -4.558
    7   HG22  ILE   8          HG22      ILE   8  -2.213  -3.227  -3.358
    8   HG23  ILE   8          HG23      ILE   8  -1.022  -4.245  -4.167
    9   HD11  ILE   8          HD11      ILE   8  -3.835  -4.504  -2.980
   10   HD12  ILE   8          HD12      ILE   8  -5.127  -3.976  -4.058
   11   HD13  ILE   8          HD13      ILE   8  -4.962  -5.686  -3.652

  No H/Q in entry =          11
  In of MODEL   16
    1    H    GLN   9           H        GLN   9  -2.670  -0.312  -4.868
    2    HA   GLN   9           HA       GLN   9  -1.045   0.022  -7.274
    3    HB2  GLN   9           HB2      GLN   9  -2.138   2.609  -6.331
    4    HB3  GLN   9           HB3      GLN   9  -2.018   2.065  -8.000
    5    HG2  GLN   9           HG2      GLN   9  -4.040   0.915  -7.916
    6    HG3  GLN   9           HG3      GLN   9  -4.142   1.004  -6.162
    7   HE21  GLN   9          HE21      GLN   9  -3.124   3.743  -8.052
    8   HE22  GLN   9          HE22      GLN   9  -4.564   4.683  -7.833

  No H/Q in entry =           8
  In of MODEL   16
    1    H    VAL  10           H        VAL  10   0.950   0.246  -6.566
    2    HA   VAL  10           HA       VAL  10   1.495   1.690  -4.076
    3    HB   VAL  10           HB       VAL  10   1.596  -0.491  -3.236
    4   HG11  VAL  10          HG11      VAL  10   1.421  -1.625  -5.428
    5   HG12  VAL  10          HG12      VAL  10   3.162  -1.417  -5.631
    6   HG13  VAL  10          HG13      VAL  10   2.535  -2.399  -4.302
    7   HG21  VAL  10          HG21      VAL  10   4.405   0.175  -4.106
    8   HG22  VAL  10          HG22      VAL  10   3.594   0.739  -2.644
    9   HG23  VAL  10          HG23      VAL  10   3.975  -0.973  -2.838

  No H/Q in entry =           9
  In of MODEL   16
    1    H    TYR  11           H        TYR  11   3.152   3.016  -4.157
    2    HA   TYR  11           HA       TYR  11   5.236   2.808  -6.134
    3    HB2  TYR  11           HB2      TYR  11   4.760   4.919  -7.255
    4    HB3  TYR  11           HB3      TYR  11   3.369   3.854  -7.414
    5    HD1  TYR  11           HD1      TYR  11   1.251   4.412  -6.364
    6    HD2  TYR  11           HD2      TYR  11   4.652   6.914  -5.837
    7    HE1  TYR  11           HE1      TYR  11  -0.194   6.176  -5.451
    8    HE2  TYR  11           HE2      TYR  11   3.214   8.686  -4.926
    9    HH   TYR  11           HH       TYR  11   0.793   9.352  -5.081

  No H/Q in entry =           9
  In of MODEL   16
    1    H    SER  12           H        SER  12   6.782   4.670  -5.903
    2    HA   SER  12           HA       SER  12   7.136   5.371  -3.115
    3    HB2  SER  12           HB2      SER  12   9.121   6.657  -4.534
    4    HB3  SER  12           HB3      SER  12   9.258   4.981  -3.987
    5    HG   SER  12           HG       SER  12   9.470   5.717  -6.398

  No H/Q in entry =           5
  In of MODEL   16
    1    H    ARG  13           H        ARG  13   6.671   7.332  -2.226
    2    HA   ARG  13           HA       ARG  13   4.931   9.039  -3.705
    3    HB2  ARG  13           HB2      ARG  13   4.790   8.729  -1.203
    4    HB3  ARG  13           HB3      ARG  13   6.280   9.633  -1.034
    5    HG2  ARG  13           HG2      ARG  13   4.042  11.011  -2.439
    6    HG3  ARG  13           HG3      ARG  13   3.882  10.732  -0.712
    7    HD2  ARG  13           HD2      ARG  13   6.315  12.017  -1.929
    8    HD3  ARG  13           HD3      ARG  13   4.901  12.932  -1.409
    9    HE   ARG  13           HE       ARG  13   5.578  11.368   0.749
   10   HH11  ARG  13          HH11      ARG  13   7.204  13.799  -1.182
   11   HH12  ARG  13          HH12      ARG  13   8.143  14.416   0.145
   12   HH21  ARG  13          HH21      ARG  13   6.813  12.178   2.492
   13   HH22  ARG  13          HH22      ARG  13   7.933  13.481   2.234

  No H/Q in entry =          13
  In of MODEL   16
    1    H    HIS  14           H        HIS  14   8.295   9.369  -2.667
    2    HA   HIS  14           HA       HIS  14   8.589  11.359  -4.798
    3    HB2  HIS  14           HB2      HIS  14   9.524  11.445  -1.989
    4    HB3  HIS  14           HB3      HIS  14  10.729  11.911  -3.185
    5    HD2  HIS  14           HD2      HIS  14   7.090  12.943  -3.936
    6    HE1  HIS  14           HE1      HIS  14   9.191  16.342  -2.552
    7    HE2  HIS  14           HE2      HIS  14   6.952  15.471  -3.375

  No H/Q in entry =           7
  In of MODEL   16
    1    HA   PRO  15           HA       PRO  15  11.772   8.889  -6.685
    2    HB2  PRO  15           HB2      PRO  15  14.206  10.195  -6.256
    3    HB3  PRO  15           HB3      PRO  15  13.104  10.470  -7.620
    4    HG2  PRO  15           HG2      PRO  15  13.431  12.066  -5.083
    5    HG3  PRO  15           HG3      PRO  15  13.056  12.624  -6.750
    6    HD2  PRO  15           HD2      PRO  15  11.148  12.459  -4.834
    7    HD3  PRO  15           HD3      PRO  15  10.793  12.090  -6.547

  No H/Q in entry =           7
  In of MODEL   16
    1    H    ALA  16           H        ALA  16  12.751   7.069  -6.070
    2    HA   ALA  16           HA       ALA  16  13.397   6.743  -3.266
    3    HB1  ALA  16           HB1      ALA  16  11.951   5.110  -4.390
    4    HB2  ALA  16           HB2      ALA  16  13.280   4.701  -5.476
    5    HB3  ALA  16           HB3      ALA  16  13.418   4.371  -3.751

  No H/Q in entry =           5
  In of MODEL   16
    1    H    GLU  17           H        GLU  17  15.408   6.390  -2.494
    2    HA   GLU  17           HA       GLU  17  17.569   5.983  -4.414
    3    HB2  GLU  17           HB2      GLU  17  17.348   8.404  -3.692
    4    HB3  GLU  17           HB3      GLU  17  17.795   7.871  -2.071
    5    HG2  GLU  17           HG2      GLU  17  19.708   8.747  -3.347
    6    HG3  GLU  17           HG3      GLU  17  19.908   7.055  -2.883

  No H/Q in entry =           6
  In of MODEL   16
    1    H    ASN  18           H        ASN  18  19.023   4.522  -3.841
    2    HA   ASN  18           HA       ASN  18  18.564   2.933  -1.490
    3    HB2  ASN  18           HB2      ASN  18  19.144   1.591  -3.277
    4    HB3  ASN  18           HB3      ASN  18  20.357   2.720  -3.884
    5   HD21  ASN  18          HD21      ASN  18  21.922   1.148  -4.075
    6   HD22  ASN  18          HD22      ASN  18  22.696   0.416  -2.710

  No H/Q in entry =           6
  In of MODEL   16
    1    H    GLY  19           H        GLY  19  19.571   2.982   0.372
    2    HA2  GLY  19           HA2      GLY  19  22.131   4.301   0.721
    3    HA3  GLY  19           HA3      GLY  19  21.156   3.532   1.986

  No H/Q in entry =           3
  In of MODEL   16
    1    H    LYS  20           H        LYS  20  18.803   5.032   0.846
    2    HA   LYS  20           HA       LYS  20  19.231   7.536   2.285
    3    HB2  LYS  20           HB2      LYS  20  19.769   7.745  -0.186
    4    HB3  LYS  20           HB3      LYS  20  18.072   7.429  -0.489
    5    HG2  LYS  20           HG2      LYS  20  18.615   9.798  -0.519
    6    HG3  LYS  20           HG3      LYS  20  17.423   9.402   0.701
    7    HD2  LYS  20           HD2      LYS  20  19.074   9.525   2.389
    8    HD3  LYS  20           HD3      LYS  20  20.364   9.725   1.225
    9    HE2  LYS  20           HE2      LYS  20  18.091  11.679   1.603
   10    HE3  LYS  20           HE3      LYS  20  19.670  11.838   2.375
   11    HZ1  LYS  20           HZ1      LYS  20  19.184  11.776  -0.555
   12    HZ2  LYS  20           HZ2      LYS  20  19.526  13.159   0.365
   13    HZ3  LYS  20           HZ3      LYS  20  20.697  11.943   0.197

  No H/Q in entry =          13
  In of MODEL   16
    1    H    SER  21           H        SER  21  17.303   8.504   2.959
    2    HA   SER  21           HA       SER  21  15.240   6.606   3.526
    3    HB2  SER  21           HB2      SER  21  15.511   9.543   4.151
    4    HB3  SER  21           HB3      SER  21  14.227   8.508   4.772
    5    HG   SER  21           HG       SER  21  16.458   7.248   5.293

  No H/Q in entry =           5
  In of MODEL   16
    1    H    ASN  22           H        ASN  22  13.202   6.527   2.762
    2    HA   ASN  22           HA       ASN  22  12.358   8.444   0.692
    3    HB2  ASN  22           HB2      ASN  22  13.421   6.215  -0.247
    4    HB3  ASN  22           HB3      ASN  22  11.963   5.460   0.376
    5   HD21  ASN  22          HD21      ASN  22  11.921   8.711  -1.014
    6   HD22  ASN  22          HD22      ASN  22  11.047   8.251  -2.436

  No H/Q in entry =           6
  In of MODEL   16
    1    H    PHE  23           H        PHE  23   9.942   7.889   0.139
    2    HA   PHE  23           HA       PHE  23   8.557   7.027   2.584
    3    HB2  PHE  23           HB2      PHE  23   7.927   9.405   0.827
    4    HB3  PHE  23           HB3      PHE  23   6.766   8.708   1.948
    5    HD1  PHE  23           HD1      PHE  23  10.267  10.006   1.939
    6    HD2  PHE  23           HD2      PHE  23   6.569   9.645   4.014
    7    HE1  PHE  23           HE1      PHE  23  11.141  11.433   3.741
    8    HE2  PHE  23           HE2      PHE  23   7.436  11.077   5.814
    9    HZ   PHE  23           HZ       PHE  23   9.728  11.961   5.686

  No H/Q in entry =           9
  In of MODEL   16
    1    H    LEU  24           H        LEU  24   7.266   5.361   2.204
    2    HA   LEU  24           HA       LEU  24   6.676   4.567  -0.537
    3    HB2  LEU  24           HB2      LEU  24   7.114   3.232   1.846
    4    HB3  LEU  24           HB3      LEU  24   5.397   3.036   1.588
    5    HG   LEU  24           HG       LEU  24   7.651   2.102  -0.207
    6   HD11  LEU  24          HD11      LEU  24   7.193   0.688   1.736
    7   HD12  LEU  24          HD12      LEU  24   5.489   0.622   1.293
    8   HD13  LEU  24          HD13      LEU  24   6.699  -0.115   0.245
    9   HD21  LEU  24          HD21      LEU  24   4.684   2.078  -0.739
   10   HD22  LEU  24          HD22      LEU  24   5.948   2.849  -1.703
   11   HD23  LEU  24          HD23      LEU  24   5.862   1.091  -1.606

  No H/Q in entry =          11
  In of MODEL   16
    1    H    ASN  25           H        ASN  25   4.562   4.246  -1.289
    2    HA   ASN  25           HA       ASN  25   2.383   5.274   0.385
    3    HB2  ASN  25           HB2      ASN  25   3.164   6.295  -2.328
    4    HB3  ASN  25           HB3      ASN  25   1.451   6.174  -1.959
    5   HD21  ASN  25          HD21      ASN  25   1.140   8.359  -2.069
    6   HD22  ASN  25          HD22      ASN  25   1.716   9.442  -0.852

  No H/Q in entry =           6
  In of MODEL   16
    1    H    CYS  26           H        CYS  26   0.770   3.843   0.457
    2    HA   CYS  26           HA       CYS  26   0.445   1.979  -1.792
    3    HB2  CYS  26           HB2      CYS  26   1.463   1.034   0.390
    4    HB3  CYS  26           HB3      CYS  26  -0.165   1.221   1.051

  No H/Q in entry =           4
  In of MODEL   16
    1    H    TYR  27           H        TYR  27  -1.495   2.092  -2.670
    2    HA   TYR  27           HA       TYR  27  -3.604   3.536  -1.204
    3    HB2  TYR  27           HB2      TYR  27  -2.452   3.968  -3.897
    4    HB3  TYR  27           HB3      TYR  27  -4.204   4.037  -3.802
    5    HD1  TYR  27           HD1      TYR  27  -5.301   5.789  -2.434
    6    HD2  TYR  27           HD2      TYR  27  -1.082   5.740  -2.990
    7    HE1  TYR  27           HE1      TYR  27  -5.197   8.141  -1.765
    8    HE2  TYR  27           HE2      TYR  27  -0.968   8.098  -2.312
    9    HH   TYR  27           HH       TYR  27  -3.571   9.695  -0.804

  No H/Q in entry =           9
  In of MODEL   16
    1    H    VAL  28           H        VAL  28  -5.158   2.128  -0.760
    2    HA   VAL  28           HA       VAL  28  -6.040   0.343  -2.939
    3    HB   VAL  28           HB       VAL  28  -6.589  -0.314  -0.061
    4   HG11  VAL  28          HG11      VAL  28  -7.777  -1.516  -1.826
    5   HG12  VAL  28          HG12      VAL  28  -6.235  -2.003  -2.527
    6   HG13  VAL  28          HG13      VAL  28  -6.702  -2.586  -0.929
    7   HG21  VAL  28          HG21      VAL  28  -4.066  -0.997  -1.557
    8   HG22  VAL  28          HG22      VAL  28  -4.198  -0.075  -0.058
    9   HG23  VAL  28          HG23      VAL  28  -4.591  -1.798  -0.072

  No H/Q in entry =           9
  In of MODEL   16
    1    H    SER  29           H        SER  29  -7.810   1.313  -3.748
    2    HA   SER  29           HA       SER  29  -9.938   2.108  -1.903
    3    HB2  SER  29           HB2      SER  29  -8.857   3.960  -4.040
    4    HB3  SER  29           HB3      SER  29 -10.199   4.300  -2.945
    5    HG   SER  29           HG       SER  29  -8.002   3.525  -1.573

  No H/Q in entry =           5
  In of MODEL   16
    1    H    GLY  30           H        GLY  30 -11.945   2.825  -3.190
    2    HA2  GLY  30           HA2      GLY  30 -12.203   1.411  -5.741
    3    HA3  GLY  30           HA3      GLY  30 -13.354   2.560  -5.074

  No H/Q in entry =           3
  In of MODEL   16
    1    H    PHE  31           H        PHE  31 -13.144   1.200  -2.428
    2    HA   PHE  31           HA       PHE  31 -14.662  -1.246  -3.040
    3    HB2  PHE  31           HB2      PHE  31 -13.570  -2.317  -1.140
    4    HB3  PHE  31           HB3      PHE  31 -12.360  -1.730  -2.300
    5    HD1  PHE  31           HD1      PHE  31 -13.870  -1.149   1.008
    6    HD2  PHE  31           HD2      PHE  31 -10.880   0.070  -1.761
    7    HE1  PHE  31           HE1      PHE  31 -12.779   0.169   2.767
    8    HE2  PHE  31           HE2      PHE  31  -9.793   1.396   0.000
    9    HZ   PHE  31           HZ       PHE  31 -10.749   1.447   2.263

  No H/Q in entry =           9
  In of MODEL   16
    1    H    HIS  32           H        HIS  32 -15.564  -2.083  -0.773
    2    HA   HIS  32           HA       HIS  32 -16.658   0.122   0.817
    3    HB2  HIS  32           HB2      HIS  32 -18.531  -2.107  -0.048
    4    HB3  HIS  32           HB3      HIS  32 -18.922  -0.569   0.696
    5    HD2  HIS  32           HD2      HIS  32 -18.144  -2.048  -2.805
    6    HE1  HIS  32           HE1      HIS  32 -19.386   1.968  -3.245
    7    HE2  HIS  32           HE2      HIS  32 -19.029  -0.240  -4.441

  No H/Q in entry =           7
  In of MODEL   16
    1    HA   PRO  33           HA       PRO  33 -18.811  -0.418   2.551
    2    HB2  PRO  33           HB2      PRO  33 -17.753  -0.040   5.280
    3    HB3  PRO  33           HB3      PRO  33 -19.387  -0.453   4.755
    4    HG2  PRO  33           HG2      PRO  33 -17.804  -2.254   5.942
    5    HG3  PRO  33           HG3      PRO  33 -18.923  -2.714   4.645
    6    HD2  PRO  33           HD2      PRO  33 -15.963  -2.270   4.531
    7    HD3  PRO  33           HD3      PRO  33 -16.947  -3.526   3.741

  No H/Q in entry =           7
  In of MODEL   16
    1    H    SER  34           H        SER  34 -16.129   0.541   4.738
    2    HA   SER  34           HA       SER  34 -15.177   2.490   2.841
    3    HB2  SER  34           HB2      SER  34 -16.252   3.242   5.579
    4    HB3  SER  34           HB3      SER  34 -15.309   4.314   4.548
    5    HG   SER  34           HG       SER  34 -17.307   3.317   3.105

  No H/Q in entry =           5
  In of MODEL   16
    1    H    ASP  35           H        ASP  35 -14.365  -0.020   4.157
    2    HA   ASP  35           HA       ASP  35 -11.909   0.863   5.430
    3    HB2  ASP  35           HB2      ASP  35 -12.952   0.710   7.452
    4    HB3  ASP  35           HB3      ASP  35 -14.119  -0.487   6.894

  No H/Q in entry =           4
  In of MODEL   16
    1    H    ILE  36           H        ILE  36 -10.272  -0.352   4.896
    2    HA   ILE  36           HA       ILE  36 -10.588  -3.208   4.316
    3    HB   ILE  36           HB       ILE  36 -10.522  -1.861   2.098
    4   HG12  ILE  36          HG12      ILE  36  -8.728  -4.141   2.859
    5   HG13  ILE  36          HG13      ILE  36 -10.151  -4.148   1.826
    6   HG21  ILE  36          HG21      ILE  36  -7.659  -1.549   3.002
    7   HG22  ILE  36          HG22      ILE  36  -8.230  -1.248   1.359
    8   HG23  ILE  36          HG23      ILE  36  -8.807  -0.246   2.687
    9   HD11  ILE  36          HD11      ILE  36  -7.519  -2.905   1.054
   10   HD12  ILE  36          HD12      ILE  36  -7.999  -4.547   0.636
   11   HD13  ILE  36          HD13      ILE  36  -8.918  -3.175   0.011

  No H/Q in entry =          11
  In of MODEL   16
    1    H    GLU  37           H        GLU  37  -8.548  -4.380   4.692
    2    HA   GLU  37           HA       GLU  37  -6.633  -2.783   6.206
    3    HB2  GLU  37           HB2      GLU  37  -7.868  -4.757   7.262
    4    HB3  GLU  37           HB3      GLU  37  -6.998  -5.781   6.138
    5    HG2  GLU  37           HG2      GLU  37  -5.276  -4.039   7.740
    6    HG3  GLU  37           HG3      GLU  37  -6.205  -5.220   8.654

  No H/Q in entry =           6
  In of MODEL   16
    1    H    VAL  38           H        VAL  38  -4.642  -2.576   5.420
    2    HA   VAL  38           HA       VAL  38  -3.641  -4.455   3.452
    3    HB   VAL  38           HB       VAL  38  -3.950  -3.104   1.714
    4   HG11  VAL  38          HG11      VAL  38  -4.547  -0.882   3.649
    5   HG12  VAL  38          HG12      VAL  38  -4.785  -0.796   1.903
    6   HG13  VAL  38          HG13      VAL  38  -5.705  -1.955   2.864
    7   HG21  VAL  38          HG21      VAL  38  -1.991  -1.255   3.087
    8   HG22  VAL  38          HG22      VAL  38  -1.592  -2.578   1.996
    9   HG23  VAL  38          HG23      VAL  38  -2.453  -1.161   1.385

  No H/Q in entry =           9
  In of MODEL   16
    1    H    ASP  39           H        ASP  39  -1.507  -4.763   3.528
    2    HA   ASP  39           HA       ASP  39  -0.022  -3.265   5.581
    3    HB2  ASP  39           HB2      ASP  39   0.190  -5.089   6.872
    4    HB3  ASP  39           HB3      ASP  39  -0.901  -5.938   5.785

  No H/Q in entry =           4
  In of MODEL   16
    1    H    LEU  40           H        LEU  40   2.257  -3.315   5.354
    2    HA   LEU  40           HA       LEU  40   3.077  -3.555   2.543
    3    HB2  LEU  40           HB2      LEU  40   4.500  -2.015   4.698
    4    HB3  LEU  40           HB3      LEU  40   4.726  -1.891   2.965
    5    HG   LEU  40           HG       LEU  40   2.316  -0.977   4.523
    6   HD11  LEU  40          HD11      LEU  40   4.480   0.542   3.079
    7   HD12  LEU  40          HD12      LEU  40   3.053   1.259   3.826
    8   HD13  LEU  40          HD13      LEU  40   4.258   0.446   4.828
    9   HD21  LEU  40          HD21      LEU  40   2.870  -0.911   1.567
   10   HD22  LEU  40          HD22      LEU  40   1.534  -1.718   2.392
   11   HD23  LEU  40          HD23      LEU  40   1.621   0.049   2.362

  No H/Q in entry =          11
  In of MODEL   16
    1    H    LEU  41           H        LEU  41   4.843  -4.730   1.967
    2    HA   LEU  41           HA       LEU  41   5.930  -6.489   4.058
    3    HB2  LEU  41           HB2      LEU  41   5.855  -7.175   1.164
    4    HB3  LEU  41           HB3      LEU  41   6.080  -8.233   2.520
    5    HG   LEU  41           HG       LEU  41   3.494  -6.828   1.898
    6   HD11  LEU  41          HD11      LEU  41   4.121  -8.456   0.170
    7   HD12  LEU  41          HD12      LEU  41   4.312  -9.689   1.417
    8   HD13  LEU  41          HD13      LEU  41   2.724  -8.991   1.106
    9   HD21  LEU  41          HD21      LEU  41   3.883  -7.367   4.266
   10   HD22  LEU  41          HD22      LEU  41   2.578  -8.324   3.560
   11   HD23  LEU  41          HD23      LEU  41   4.166  -9.049   3.814

  No H/Q in entry =          11
  In of MODEL   16
    1    H    LYS  42           H        LYS  42   7.846  -7.656   3.176
    2    HA   LYS  42           HA       LYS  42   9.778  -6.055   1.742
    3    HB2  LYS  42           HB2      LYS  42  10.438  -7.045   4.506
    4    HB3  LYS  42           HB3      LYS  42  11.458  -6.074   3.460
    5    HG2  LYS  42           HG2      LYS  42   9.718  -4.239   3.585
    6    HG3  LYS  42           HG3      LYS  42   8.870  -5.242   4.739
    7    HD2  LYS  42           HD2      LYS  42  11.742  -4.291   5.166
    8    HD3  LYS  42           HD3      LYS  42  10.297  -3.545   5.881
    9    HE2  LYS  42           HE2      LYS  42  11.175  -6.403   6.285
   10    HE3  LYS  42           HE3      LYS  42  11.478  -5.084   7.411
   11    HZ1  LYS  42           HZ1      LYS  42   8.744  -5.878   6.580
   12    HZ2  LYS  42           HZ2      LYS  42   9.529  -6.547   7.927
   13    HZ3  LYS  42           HZ3      LYS  42   9.197  -4.886   7.880

  No H/Q in entry =          13
  In of MODEL   16
    1    H    ASN  43           H        ASN  43  10.082  -7.553   0.267
    2    HA   ASN  43           HA       ASN  43  10.649  -9.478  -0.795
    3    HB2  ASN  43           HB2      ASN  43  12.006  -9.995   1.839
    4    HB3  ASN  43           HB3      ASN  43  12.090 -11.149   0.515
    5   HD21  ASN  43          HD21      ASN  43  14.182  -9.610   1.841
    6   HD22  ASN  43          HD22      ASN  43  14.968  -8.711   0.587

  No H/Q in entry =           6
  In of MODEL   16
    1    H    GLY  44           H        GLY  44   8.777  -9.575   2.010
    2    HA2  GLY  44           HA2      GLY  44   7.973 -12.344   1.744
    3    HA3  GLY  44           HA3      GLY  44   6.772 -11.150   1.256

  No H/Q in entry =           3
  In of MODEL   16
    1    H    GLU  45           H        GLU  45   8.608  -9.777   3.619
    2    HA   GLU  45           HA       GLU  45   7.138 -11.002   5.828
    3    HB2  GLU  45           HB2      GLU  45   9.604  -9.287   5.805
    4    HB3  GLU  45           HB3      GLU  45   8.926 -10.097   7.213
    5    HG2  GLU  45           HG2      GLU  45   9.917 -11.471   4.739
    6    HG3  GLU  45           HG3      GLU  45  10.828 -11.249   6.210

  No H/Q in entry =           6
  In of MODEL   16
    1    H    ARG  46           H        ARG  46   5.964  -9.853   7.247
    2    HA   ARG  46           HA       ARG  46   4.756  -7.531   6.231
    3    HB2  ARG  46           HB2      ARG  46   4.311  -9.496   8.287
    4    HB3  ARG  46           HB3      ARG  46   4.048  -7.902   8.951
    5    HG2  ARG  46           HG2      ARG  46   2.572  -7.563   6.810
    6    HG3  ARG  46           HG3      ARG  46   2.556  -9.320   6.811
    7    HD2  ARG  46           HD2      ARG  46   1.525  -9.356   8.998
    8    HD3  ARG  46           HD3      ARG  46   1.669  -7.595   9.138
    9    HE   ARG  46           HE       ARG  46   0.258  -8.208   6.792
   10   HH11  ARG  46          HH11      ARG  46  -0.157  -8.399  10.265
   11   HH12  ARG  46          HH12      ARG  46  -1.868  -8.072  10.202
   12   HH21  ARG  46          HH21      ARG  46  -1.960  -7.735   6.707
   13   HH22  ARG  46          HH22      ARG  46  -2.891  -7.642   8.170

  No H/Q in entry =          13
  In of MODEL   16
    1    H    ILE  47           H        ILE  47   5.085  -5.400   6.644
    2    HA   ILE  47           HA       ILE  47   7.191  -4.642   8.505
    3    HB   ILE  47           HB       ILE  47   5.450  -2.886   6.751
    4   HG12  ILE  47          HG12      ILE  47   8.309  -3.737   6.293
    5   HG13  ILE  47          HG13      ILE  47   6.932  -4.455   5.457
    6   HG21  ILE  47          HG21      ILE  47   6.383  -1.716   8.678
    7   HG22  ILE  47          HG22      ILE  47   7.998  -2.281   8.253
    8   HG23  ILE  47          HG23      ILE  47   7.145  -1.166   7.185
    9   HD11  ILE  47          HD11      ILE  47   7.477  -1.503   5.375
   10   HD12  ILE  47          HD12      ILE  47   8.216  -2.622   4.232
   11   HD13  ILE  47          HD13      ILE  47   6.465  -2.468   4.302

  No H/Q in entry =          11
  In of MODEL   16
    1    H    GLU  48           H        GLU  48   6.830  -3.579  10.393
    2    HA   GLU  48           HA       GLU  48   4.029  -3.500  11.247
    3    HB2  GLU  48           HB2      GLU  48   5.232  -3.357  13.585
    4    HB3  GLU  48           HB3      GLU  48   4.982  -4.885  12.782
    5    HG2  GLU  48           HG2      GLU  48   7.122  -5.059  13.447
    6    HG3  GLU  48           HG3      GLU  48   7.339  -4.379  11.849

  No H/Q in entry =           6
  In of MODEL   16
    1    H    LYS  49           H        LYS  49   6.954  -1.479  11.194
    2    HA   LYS  49           HA       LYS  49   5.784   0.759  12.375
    3    HB2  LYS  49           HB2      LYS  49   8.059   0.628  10.406
    4    HB3  LYS  49           HB3      LYS  49   7.719   1.945  11.525
    5    HG2  LYS  49           HG2      LYS  49   7.971  -0.721  12.727
    6    HG3  LYS  49           HG3      LYS  49   9.438  -0.048  12.029
    7    HD2  LYS  49           HD2      LYS  49   9.334   1.854  13.455
    8    HD3  LYS  49           HD3      LYS  49   7.677   1.492  13.927
    9    HE2  LYS  49           HE2      LYS  49   8.498  -0.557  15.063
   10    HE3  LYS  49           HE3      LYS  49  10.150  -0.078  14.676
   11    HZ1  LYS  49           HZ1      LYS  49   9.798   1.965  15.942
   12    HZ2  LYS  49           HZ2      LYS  49   8.237   1.448  16.357
   13    HZ3  LYS  49           HZ3      LYS  49   9.591   0.586  16.906

  No H/Q in entry =          13
  In of MODEL   16
    1    H    VAL  50           H        VAL  50   4.536  -0.552   9.763
    2    HA   VAL  50           HA       VAL  50   4.117   1.666   8.048
    3    HB   VAL  50           HB       VAL  50   2.390  -0.762   8.543
    4   HG11  VAL  50          HG11      VAL  50   1.138   1.081   7.501
    5   HG12  VAL  50          HG12      VAL  50   2.358   1.172   6.226
    6   HG13  VAL  50          HG13      VAL  50   1.364  -0.275   6.387
    7   HG21  VAL  50          HG21      VAL  50   4.514  -0.209   6.483
    8   HG22  VAL  50          HG22      VAL  50   4.591  -1.380   7.801
    9   HG23  VAL  50          HG23      VAL  50   3.447  -1.609   6.484

  No H/Q in entry =           9
  In of MODEL   16
    1    H    GLU  51           H        GLU  51   2.575   3.245   8.079
    2    HA   GLU  51           HA       GLU  51   0.586   3.144  10.231
    3    HB2  GLU  51           HB2      GLU  51   2.154   5.608   9.432
    4    HB3  GLU  51           HB3      GLU  51   0.841   5.556  10.602
    5    HG2  GLU  51           HG2      GLU  51   2.239   3.952  11.939
    6    HG3  GLU  51           HG3      GLU  51   3.570   4.321  10.841

  No H/Q in entry =           6
  In of MODEL   16
    1    H    HIS  52           H        HIS  52  -1.357   3.966   9.775
    2    HA   HIS  52           HA       HIS  52  -1.795   5.016   7.059
    3    HB2  HIS  52           HB2      HIS  52  -4.177   4.359   7.306
    4    HB3  HIS  52           HB3      HIS  52  -3.080   2.988   7.333
    5    HD2  HIS  52           HD2      HIS  52  -2.623   2.042  10.109
    6    HE1  HIS  52           HE1      HIS  52  -6.489   3.355  11.220
    7    HE2  HIS  52           HE2      HIS  52  -4.413   2.118  11.981

  No H/Q in entry =           7
  In of MODEL   16
    1    H    SER  53           H        SER  53  -2.359   7.075   6.905
    2    HA   SER  53           HA       SER  53  -2.666   8.578   9.369
    3    HB2  SER  53           HB2      SER  53  -1.169   9.323   7.465
    4    HB3  SER  53           HB3      SER  53  -2.633   9.669   6.548
    5    HG   SER  53           HG       SER  53  -1.850  10.837   9.025

  No H/Q in entry =           5
  In of MODEL   16
    1    H    ASP  54           H        ASP  54  -4.224  10.716   8.329
    2    HA   ASP  54           HA       ASP  54  -6.749  10.075   9.199
    3    HB2  ASP  54           HB2      ASP  54  -5.948  12.376   8.850
    4    HB3  ASP  54           HB3      ASP  54  -6.047  12.147   7.108

  No H/Q in entry =           4
  In of MODEL   16
    1    H    LEU  55           H        LEU  55  -8.387   8.970   8.475
    2    HA   LEU  55           HA       LEU  55  -8.231   7.088   6.534
    3    HB2  LEU  55           HB2      LEU  55  -9.966   7.195   8.289
    4    HB3  LEU  55           HB3      LEU  55 -10.790   8.447   7.377
    5    HG   LEU  55           HG       LEU  55 -11.083   6.824   5.499
    6   HD11  LEU  55          HD11      LEU  55  -9.254   5.305   6.058
    7   HD12  LEU  55          HD12      LEU  55 -10.112   4.805   7.517
    8   HD13  LEU  55          HD13      LEU  55 -10.793   4.453   5.927
    9   HD21  LEU  55          HD21      LEU  55 -12.860   7.288   7.136
   10   HD22  LEU  55          HD22      LEU  55 -12.926   5.638   6.521
   11   HD23  LEU  55          HD23      LEU  55 -12.277   5.953   8.130

  No H/Q in entry =          11
  In of MODEL   16
    1    H    SER  56           H        SER  56 -10.548   9.723   5.985
    2    HA   SER  56           HA       SER  56  -9.615  10.262   3.340
    3    HB2  SER  56           HB2      SER  56 -10.644   7.996   3.030
    4    HB3  SER  56           HB3      SER  56 -12.180   8.661   3.579
    5    HG   SER  56           HG       SER  56 -12.394   9.755   1.742

  No H/Q in entry =           5
  In of MODEL   16
    1    H    PHE  57           H        PHE  57 -11.270  11.618   2.145
    2    HA   PHE  57           HA       PHE  57 -12.915  13.140   4.047
    3    HB2  PHE  57           HB2      PHE  57 -12.526  15.129   2.661
    4    HB3  PHE  57           HB3      PHE  57 -11.001  14.464   3.229
    5    HD1  PHE  57           HD1      PHE  57  -9.538  13.226   1.658
    6    HD2  PHE  57           HD2      PHE  57 -13.031  15.273   0.352
    7    HE1  PHE  57           HE1      PHE  57  -8.709  13.163  -0.656
    8    HE2  PHE  57           HE2      PHE  57 -12.208  15.217  -1.963
    9    HZ   PHE  57           HZ       PHE  57 -10.042  14.157  -2.469

  No H/Q in entry =           9
  In of MODEL   16
    1    H    SER  58           H        SER  58 -15.011  13.549   3.462
    2    HA   SER  58           HA       SER  58 -16.206  11.927   1.468
    3    HB2  SER  58           HB2      SER  58 -17.424  14.363   2.787
    4    HB3  SER  58           HB3      SER  58 -18.274  12.978   2.103
    5    HG   SER  58           HG       SER  58 -17.910  11.864   3.871

  No H/Q in entry =           5
  In of MODEL   16
    1    H    LYS  59           H        LYS  59 -16.834  12.422  -0.630
    2    HA   LYS  59           HA       LYS  59 -16.755  15.129  -1.557
    3    HB2  LYS  59           HB2      LYS  59 -14.340  14.458  -1.618
    4    HB3  LYS  59           HB3      LYS  59 -14.770  13.223  -2.798
    5    HG2  LYS  59           HG2      LYS  59 -13.872  15.271  -3.833
    6    HG3  LYS  59           HG3      LYS  59 -15.522  14.903  -4.351
    7    HD2  LYS  59           HD2      LYS  59 -16.341  16.496  -2.599
    8    HD3  LYS  59           HD3      LYS  59 -14.664  16.945  -2.296
    9    HE2  LYS  59           HE2      LYS  59 -16.162  17.287  -4.897
   10    HE3  LYS  59           HE3      LYS  59 -15.769  18.559  -3.746
   11    HZ1  LYS  59           HZ1      LYS  59 -13.397  18.050  -4.136
   12    HZ2  LYS  59           HZ2      LYS  59 -13.852  16.973  -5.366
   13    HZ3  LYS  59           HZ3      LYS  59 -14.204  18.624  -5.513

  No H/Q in entry =          13
  In of MODEL   16
    1    H    ASP  60           H        ASP  60 -16.293  11.960  -3.245
    2    HA   ASP  60           HA       ASP  60 -18.512  12.763  -4.969
    3    HB2  ASP  60           HB2      ASP  60 -16.271  12.169  -5.955
    4    HB3  ASP  60           HB3      ASP  60 -16.505  10.531  -5.356

  No H/Q in entry =           4
  In of MODEL   16
    1    H    TRP  61           H        TRP  61 -17.208   9.740  -3.629
    2    HA   TRP  61           HA       TRP  61 -19.512   9.018  -2.194
    3    HB2  TRP  61           HB2      TRP  61 -20.522   8.701  -4.410
    4    HB3  TRP  61           HB3      TRP  61 -19.198   7.639  -4.873
    5    HD1  TRP  61           HD1      TRP  61 -21.499   7.593  -1.732
    6    HE1  TRP  61           HE1      TRP  61 -22.483   5.221  -1.505
    7    HE3  TRP  61           HE3      TRP  61 -19.432   5.481  -5.896
    8    HZ2  TRP  61           HZ2      TRP  61 -22.390   2.780  -2.922
    9    HZ3  TRP  61           HZ3      TRP  61 -19.918   3.133  -6.407
   10    HH2  TRP  61           HH2      TRP  61 -21.386   1.792  -4.930

  No H/Q in entry =          10
  In of MODEL   16
    1    H    SER  62           H        SER  62 -16.901   7.633  -4.177
    2    HA   SER  62           HA       SER  62 -16.392   5.526  -2.300
    3    HB2  SER  62           HB2      SER  62 -14.777   6.548  -4.658
    4    HB3  SER  62           HB3      SER  62 -14.420   5.057  -3.771
    5    HG   SER  62           HG       SER  62 -17.025   5.291  -4.640

  No H/Q in entry =           5
  In of MODEL   16
    1    H    PHE  63           H        PHE  63 -14.771   5.363  -0.800
    2    HA   PHE  63           HA       PHE  63 -13.395   7.862  -0.098
    3    HB2  PHE  63           HB2      PHE  63 -13.886   5.387   1.592
    4    HB3  PHE  63           HB3      PHE  63 -13.144   6.875   2.151
    5    HD1  PHE  63           HD1      PHE  63 -16.332   5.490   0.808
    6    HD2  PHE  63           HD2      PHE  63 -14.455   8.576   3.073
    7    HE1  PHE  63           HE1      PHE  63 -18.549   6.305   1.538
    8    HE2  PHE  63           HE2      PHE  63 -16.668   9.389   3.807
    9    HZ   PHE  63           HZ       PHE  63 -18.707   8.255   3.029

  No H/Q in entry =           9
  In of MODEL   16
    1    H    TYR  64           H        TYR  64 -11.215   7.627   0.813
    2    HA   TYR  64           HA       TYR  64  -9.679   5.593  -0.677
    3    HB2  TYR  64           HB2      TYR  64  -8.641   8.337   0.027
    4    HB3  TYR  64           HB3      TYR  64  -8.057   7.239  -1.217
    5    HD1  TYR  64           HD1      TYR  64 -10.260   9.964  -0.455
    6    HD2  TYR  64           HD2      TYR  64  -9.497   6.879  -3.281
    7    HE1  TYR  64           HE1      TYR  64 -11.647  11.144  -2.104
    8    HE2  TYR  64           HE2      TYR  64 -10.878   8.053  -4.944
    9    HH   TYR  64           HH       TYR  64 -12.723   9.698  -4.967

  No H/Q in entry =           9
  In of MODEL   16
    1    H    LEU  65           H        LEU  65  -7.834   4.724   0.408
    2    HA   LEU  65           HA       LEU  65  -7.284   5.709   3.094
    3    HB2  LEU  65           HB2      LEU  65  -8.805   4.035   3.635
    4    HB3  LEU  65           HB3      LEU  65  -8.209   2.947   2.398
    5    HG   LEU  65           HG       LEU  65  -6.299   3.572   4.575
    6   HD11  LEU  65          HD11      LEU  65  -8.549   3.432   5.686
    7   HD12  LEU  65          HD12      LEU  65  -8.665   1.781   5.080
    8   HD13  LEU  65          HD13      LEU  65  -7.381   2.223   6.205
    9   HD21  LEU  65          HD21      LEU  65  -7.243   1.032   3.247
   10   HD22  LEU  65          HD22      LEU  65  -5.814   1.961   2.797
   11   HD23  LEU  65          HD23      LEU  65  -5.892   1.172   4.371

  No H/Q in entry =          11
  In of MODEL   16
    1    H    LEU  66           H        LEU  66  -5.212   5.736   3.611
    2    HA   LEU  66           HA       LEU  66  -3.339   4.719   1.581
    3    HB2  LEU  66           HB2      LEU  66  -3.794   7.290   2.125
    4    HB3  LEU  66           HB3      LEU  66  -2.640   6.968   3.384
    5    HG   LEU  66           HG       LEU  66  -2.103   6.570   0.454
    6   HD11  LEU  66          HD11      LEU  66  -1.236   8.757   2.332
    7   HD12  LEU  66          HD12      LEU  66  -0.660   8.548   0.680
    8   HD13  LEU  66          HD13      LEU  66  -2.357   8.924   0.984
    9   HD21  LEU  66          HD21      LEU  66  -0.793   5.082   1.869
   10   HD22  LEU  66          HD22      LEU  66   0.223   6.314   1.124
   11   HD23  LEU  66          HD23      LEU  66  -0.248   6.463   2.816

  No H/Q in entry =          11
  In of MODEL   16
    1    H    TYR  67           H        TYR  67  -1.789   3.369   2.237
    2    HA   TYR  67           HA       TYR  67  -1.050   3.298   5.090
    3    HB2  TYR  67           HB2      TYR  67  -1.651   1.091   3.204
    4    HB3  TYR  67           HB3      TYR  67  -0.297   0.852   4.298
    5    HD1  TYR  67           HD1      TYR  67  -0.669   0.789   6.733
    6    HD2  TYR  67           HD2      TYR  67  -3.927   1.009   3.999
    7    HE1  TYR  67           HE1      TYR  67  -2.194   0.011   8.496
    8    HE2  TYR  67           HE2      TYR  67  -5.442   0.216   5.748
    9    HH   TYR  67           HH       TYR  67  -4.676   0.192   8.987

  No H/Q in entry =           9
  In of MODEL   16
    1    H    TYR  68           H        TYR  68   0.948   3.988   5.427
    2    HA   TYR  68           HA       TYR  68   2.953   3.514   3.332
    3    HB2  TYR  68           HB2      TYR  68   3.730   5.842   3.443
    4    HB3  TYR  68           HB3      TYR  68   2.042   5.770   2.926
    5    HD1  TYR  68           HD1      TYR  68   0.264   6.585   4.392
    6    HD2  TYR  68           HD2      TYR  68   4.350   6.826   5.554
    7    HE1  TYR  68           HE1      TYR  68  -0.336   8.216   6.133
    8    HE2  TYR  68           HE2      TYR  68   3.763   8.441   7.310
    9    HH   TYR  68           HH       TYR  68   0.674   8.958   8.390

  No H/Q in entry =           9
  In of MODEL   16
    1    H    THR  69           H        THR  69   5.168   4.074   4.037
    2    HA   THR  69           HA       THR  69   5.639   4.261   6.886
    3    HB   THR  69           HB       THR  69   5.301   1.796   6.551
    4    HG1  THR  69           HG1      THR  69   6.598   2.285   8.252
    5   HG21  THR  69          HG21      THR  69   7.714   2.097   4.759
    6   HG22  THR  69          HG22      THR  69   7.193   0.558   5.443
    7   HG23  THR  69          HG23      THR  69   6.131   1.432   4.334

  No H/Q in entry =           7
  In of MODEL   16
    1    H    GLU  70           H        GLU  70   7.742   4.875   7.370
    2    HA   GLU  70           HA       GLU  70   9.265   5.994   5.150
    3    HB2  GLU  70           HB2      GLU  70   8.821   7.337   7.216
    4    HB3  GLU  70           HB3      GLU  70   9.756   6.172   8.141
    5    HG2  GLU  70           HG2      GLU  70  11.754   6.752   6.874
    6    HG3  GLU  70           HG3      GLU  70  10.818   7.898   5.916

  No H/Q in entry =           6
  In of MODEL   16
    1    H    PHE  71           H        PHE  71  11.199   5.174   4.446
    2    HA   PHE  71           HA       PHE  71  12.357   2.906   5.824
    3    HB2  PHE  71           HB2      PHE  71  12.088   1.338   3.980
    4    HB3  PHE  71           HB3      PHE  71  10.517   1.869   4.562
    5    HD1  PHE  71           HD1      PHE  71  11.480   0.616   1.872
    6    HD2  PHE  71           HD2      PHE  71  10.476   4.559   3.085
    7    HE1  PHE  71           HE1      PHE  71  10.819   1.140  -0.434
    8    HE2  PHE  71           HE2      PHE  71   9.828   5.105   0.788
    9    HZ   PHE  71           HZ       PHE  71  10.005   3.409  -0.999

  No H/Q in entry =           9
  In of MODEL   16
    1    H    THR  72           H        THR  72  14.344   2.132   4.740
    2    HA   THR  72           HA       THR  72  15.536   4.189   3.009
    3    HB   THR  72           HB       THR  72  16.953   2.590   5.148
    4    HG1  THR  72           HG1      THR  72  15.396   4.599   5.510
    5   HG21  THR  72          HG21      THR  72  18.405   3.184   3.263
    6   HG22  THR  72          HG22      THR  72  17.914   4.872   3.413
    7   HG23  THR  72          HG23      THR  72  18.834   4.099   4.708

  No H/Q in entry =           7
  In of MODEL   16
    1    HA   PRO  73           HA       PRO  73  15.392   0.287   0.505
    2    HB2  PRO  73           HB2      PRO  73  16.170   1.814  -1.748
    3    HB3  PRO  73           HB3      PRO  73  14.526   1.309  -1.327
    4    HG2  PRO  73           HG2      PRO  73  15.909   3.902  -0.847
    5    HG3  PRO  73           HG3      PRO  73  14.202   3.598  -1.220
    6    HD2  PRO  73           HD2      PRO  73  14.976   4.236   1.253
    7    HD3  PRO  73           HD3      PRO  73  13.700   3.023   0.981

  No H/Q in entry =           7
  In of MODEL   16
    1    H    THR  74           H        THR  74  16.944  -0.997  -0.246
    2    HA   THR  74           HA       THR  74  19.708  -0.011  -0.363
    3    HB   THR  74           HB       THR  74  20.509  -2.065   0.621
    4    HG1  THR  74           HG1      THR  74  17.822  -2.869   0.304
    5   HG21  THR  74          HG21      THR  74  19.754  -0.338   2.216
    6   HG22  THR  74          HG22      THR  74  18.162  -1.095   2.245
    7   HG23  THR  74          HG23      THR  74  19.564  -1.969   2.862

  No H/Q in entry =           7
  In of MODEL   16
    1    H    GLU  75           H        GLU  75  20.962  -2.225  -1.415
    2    HA   GLU  75           HA       GLU  75  19.905  -2.170  -4.129
    3    HB2  GLU  75           HB2      GLU  75  22.424  -2.141  -3.201
    4    HB3  GLU  75           HB3      GLU  75  22.231  -3.865  -3.393
    5    HG2  GLU  75           HG2      GLU  75  23.119  -3.279  -5.386
    6    HG3  GLU  75           HG3      GLU  75  21.405  -3.202  -5.742

  No H/Q in entry =           6
  In of MODEL   16
    1    H    LYS  76           H        LYS  76  20.163  -4.293  -1.400
    2    HA   LYS  76           HA       LYS  76  19.547  -6.687  -2.828
    3    HB2  LYS  76           HB2      LYS  76  20.230  -6.149   0.052
    4    HB3  LYS  76           HB3      LYS  76  19.850  -7.743  -0.578
    5    HG2  LYS  76           HG2      LYS  76  22.183  -6.008  -1.360
    6    HG3  LYS  76           HG3      LYS  76  22.223  -7.564  -0.510
    7    HD2  LYS  76           HD2      LYS  76  21.279  -8.667  -2.445
    8    HD3  LYS  76           HD3      LYS  76  21.158  -7.116  -3.276
    9    HE2  LYS  76           HE2      LYS  76  23.108  -8.292  -4.095
   10    HE3  LYS  76           HE3      LYS  76  23.642  -6.915  -3.127
   11    HZ1  LYS  76           HZ1      LYS  76  23.927  -8.464  -1.238
   12    HZ2  LYS  76           HZ2      LYS  76  23.541  -9.759  -2.261
   13    HZ3  LYS  76           HZ3      LYS  76  24.932  -8.841  -2.552

  No H/Q in entry =          13
  In of MODEL   16
    1    H    ASP  77           H        ASP  77  17.773  -4.351  -0.905
    2    HA   ASP  77           HA       ASP  77  15.976  -6.498  -0.026
    3    HB2  ASP  77           HB2      ASP  77  15.118  -5.000   1.659
    4    HB3  ASP  77           HB3      ASP  77  16.869  -4.912   1.705

  No H/Q in entry =           4
  In of MODEL   16
    1    H    GLU  78           H        GLU  78  13.589  -5.656   0.149
    2    HA   GLU  78           HA       GLU  78  12.659  -4.115  -2.078
    3    HB2  GLU  78           HB2      GLU  78  13.354  -6.232  -3.186
    4    HB3  GLU  78           HB3      GLU  78  12.239  -7.120  -2.165
    5    HG2  GLU  78           HG2      GLU  78  11.243  -6.812  -4.317
    6    HG3  GLU  78           HG3      GLU  78  10.370  -5.776  -3.187

  No H/Q in entry =           6
  In of MODEL   16
    1    H    TYR  79           H        TYR  79  10.409  -3.746  -1.944
    2    HA   TYR  79           HA       TYR  79   9.171  -4.861   0.459
    3    HB2  TYR  79           HB2      TYR  79   8.606  -2.005  -0.320
    4    HB3  TYR  79           HB3      TYR  79   8.393  -2.806   1.238
    5    HD1  TYR  79           HD1      TYR  79   9.825  -2.262   2.930
    6    HD2  TYR  79           HD2      TYR  79  11.202  -1.882  -1.081
    7    HE1  TYR  79           HE1      TYR  79  11.942  -1.301   3.748
    8    HE2  TYR  79           HE2      TYR  79  13.327  -0.957  -0.265
    9    HH   TYR  79           HH       TYR  79  14.594  -1.263   2.317

  No H/Q in entry =           9
  In of MODEL   16
    1    H    ALA  80           H        ALA  80   6.809  -4.709   0.491
    2    HA   ALA  80           HA       ALA  80   5.610  -4.659  -2.190
    3    HB1  ALA  80           HB1      ALA  80   6.449  -6.946  -1.863
    4    HB2  ALA  80           HB2      ALA  80   4.696  -6.870  -2.038
    5    HB3  ALA  80           HB3      ALA  80   5.410  -7.096  -0.441

  No H/Q in entry =           5
  In of MODEL   16
    1    H    CYS  81           H        CYS  81   3.214  -4.923  -2.129
    2    HA   CYS  81           HA       CYS  81   2.095  -3.877   0.400
    3    HB2  CYS  81           HB2      CYS  81   1.609  -3.212  -2.465
    4    HB3  CYS  81           HB3      CYS  81   0.218  -3.199  -1.389

  No H/Q in entry =           4
  In of MODEL   16
    1    H    ARG  82           H        ARG  82   0.500  -5.042   1.335
    2    HA   ARG  82           HA       ARG  82  -0.747  -7.270  -0.179
    3    HB2  ARG  82           HB2      ARG  82   0.815  -7.814   1.819
    4    HB3  ARG  82           HB3      ARG  82  -0.468  -7.134   2.815
    5    HG2  ARG  82           HG2      ARG  82  -1.995  -8.830   1.631
    6    HG3  ARG  82           HG3      ARG  82  -0.492  -9.632   1.171
    7    HD2  ARG  82           HD2      ARG  82  -1.487  -9.056   3.956
    8    HD3  ARG  82           HD3      ARG  82  -1.297 -10.631   3.202
    9    HE   ARG  82           HE       ARG  82   0.905  -8.862   4.037
   10   HH11  ARG  82          HH11      ARG  82  -0.339 -12.034   3.202
   11   HH12  ARG  82          HH12      ARG  82   1.032 -12.890   3.853
   12   HH21  ARG  82          HH21      ARG  82   2.709  -9.980   4.888
   13   HH22  ARG  82          HH22      ARG  82   2.786 -11.715   4.801

  No H/Q in entry =          13
  In of MODEL   16
    1    H    VAL  83           H        VAL  83  -3.025  -7.344  -0.131
    2    HA   VAL  83           HA       VAL  83  -4.331  -5.677   1.918
    3    HB   VAL  83           HB       VAL  83  -5.835  -4.609   0.541
    4   HG11  VAL  83          HG11      VAL  83  -3.295  -4.795  -1.025
    5   HG12  VAL  83          HG12      VAL  83  -4.560  -3.598  -1.297
    6   HG13  VAL  83          HG13      VAL  83  -3.697  -3.637   0.244
    7   HG21  VAL  83          HG21      VAL  83  -5.164  -6.557  -1.655
    8   HG22  VAL  83          HG22      VAL  83  -6.660  -6.491  -0.721
    9   HG23  VAL  83          HG23      VAL  83  -6.247  -5.176  -1.821

  No H/Q in entry =           9
  In of MODEL   16
    1    H    ASN  84           H        ASN  84  -6.206  -6.375   2.701
    2    HA   ASN  84           HA       ASN  84  -7.082  -9.065   1.888
    3    HB2  ASN  84           HB2      ASN  84  -7.287  -7.712   4.605
    4    HB3  ASN  84           HB3      ASN  84  -7.949  -9.279   4.240
    5   HD21  ASN  84          HD21      ASN  84  -5.026  -7.469   4.796
    6   HD22  ASN  84          HD22      ASN  84  -4.000  -8.858   5.026

  No H/Q in entry =           6
  In of MODEL   16
    1    H    HIS  85           H        HIS  85  -9.003  -8.946   0.692
    2    HA   HIS  85           HA       HIS  85 -11.214  -7.717   2.118
    3    HB2  HIS  85           HB2      HIS  85 -10.238  -6.259   0.141
    4    HB3  HIS  85           HB3      HIS  85 -11.088  -7.428  -0.866
    5    HD2  HIS  85           HD2      HIS  85 -12.026  -4.960   2.081
    6    HE1  HIS  85           HE1      HIS  85 -15.291  -5.409  -0.583
    7    HE2  HIS  85           HE2      HIS  85 -14.372  -4.081   1.369

  No H/Q in entry =           7
  In of MODEL   16
    1    H    VAL  86           H        VAL  86 -13.263  -8.676   1.447
    2    HA   VAL  86           HA       VAL  86 -12.998 -11.491   1.265
    3    HB   VAL  86           HB       VAL  86 -14.853 -10.312   2.454
    4   HG11  VAL  86          HG11      VAL  86 -15.866  -9.812  -0.340
    5   HG12  VAL  86          HG12      VAL  86 -16.799  -9.565   1.137
    6   HG13  VAL  86          HG13      VAL  86 -15.358  -8.594   0.831
    7   HG21  VAL  86          HG21      VAL  86 -15.697 -12.320   0.366
    8   HG22  VAL  86          HG22      VAL  86 -15.047 -12.681   1.966
    9   HG23  VAL  86          HG23      VAL  86 -16.620 -11.898   1.809

  No H/Q in entry =           9
  In of MODEL   16
    1    H    THR  87           H        THR  87 -13.323  -9.010  -1.095
    2    HA   THR  87           HA       THR  87 -14.578 -10.410  -3.173
    3    HB   THR  87           HB       THR  87 -13.431  -8.655  -4.599
    4    HG1  THR  87           HG1      THR  87 -12.803  -7.177  -2.352
    5   HG21  THR  87          HG21      THR  87 -15.097  -7.865  -2.230
    6   HG22  THR  87          HG22      THR  87 -14.694  -6.751  -3.540
    7   HG23  THR  87          HG23      THR  87 -15.641  -8.210  -3.873

  No H/Q in entry =           7
  In of MODEL   16
    1    H    LEU  88           H        LEU  88 -11.200  -9.768  -2.460
    2    HA   LEU  88           HA       LEU  88 -10.164 -10.933  -4.804
    3    HB2  LEU  88           HB2      LEU  88  -8.861 -10.480  -2.112
    4    HB3  LEU  88           HB3      LEU  88  -7.990 -10.990  -3.546
    5    HG   LEU  88           HG       LEU  88  -9.433  -8.367  -3.152
    6   HD11  LEU  88          HD11      LEU  88  -6.507  -9.046  -3.476
    7   HD12  LEU  88          HD12      LEU  88  -7.178  -7.408  -3.440
    8   HD13  LEU  88          HD13      LEU  88  -7.297  -8.447  -2.008
    9   HD21  LEU  88          HD21      LEU  88  -8.024  -9.460  -5.584
   10   HD22  LEU  88          HD22      LEU  88  -9.744  -9.090  -5.435
   11   HD23  LEU  88          HD23      LEU  88  -8.552  -7.788  -5.387

  No H/Q in entry =          11
  In of MODEL   16
    1    H    SER  89           H        SER  89 -11.355 -12.261  -1.906
    2    HA   SER  89           HA       SER  89 -11.592 -14.311  -1.020
    3    HB2  SER  89           HB2      SER  89 -10.576 -15.686  -3.455
    4    HB3  SER  89           HB3      SER  89 -11.862 -16.157  -2.362
    5    HG   SER  89           HG       SER  89 -11.953 -14.654  -4.622

  No H/Q in entry =           5
  In of MODEL   16
    1    H    GLN  90           H        GLN  90  -8.611 -13.386  -2.384
    2    HA   GLN  90           HA       GLN  90  -7.113 -14.875  -0.394
    3    HB2  GLN  90           HB2      GLN  90  -5.746 -14.771  -2.991
    4    HB3  GLN  90           HB3      GLN  90  -5.835 -16.091  -1.840
    5    HG2  GLN  90           HG2      GLN  90  -8.074 -15.432  -3.733
    6    HG3  GLN  90           HG3      GLN  90  -6.753 -16.511  -4.161
    7   HE21  GLN  90          HE21      GLN  90  -9.651 -16.983  -3.897
    8   HE22  GLN  90          HE22      GLN  90  -9.798 -18.279  -2.748

  No H/Q in entry =           8
  In of MODEL   16
    1    HA   PRO  91           HA       PRO  91  -5.905 -10.528  -0.072
    2    HB2  PRO  91           HB2      PRO  91  -3.569 -11.974   1.139
    3    HB3  PRO  91           HB3      PRO  91  -4.369 -10.482   1.679
    4    HG2  PRO  91           HG2      PRO  91  -4.949 -12.723   2.904
    5    HG3  PRO  91           HG3      PRO  91  -6.275 -11.635   2.411
    6    HD2  PRO  91           HD2      PRO  91  -5.342 -14.208   1.148
    7    HD3  PRO  91           HD3      PRO  91  -7.017 -13.596   1.351

  No H/Q in entry =           7
  In of MODEL   16
    1    H    LYS  92           H        LYS  92  -4.317  -9.156  -0.995
    2    HA   LYS  92           HA       LYS  92  -3.116 -10.485  -3.324
    3    HB2  LYS  92           HB2      LYS  92  -5.074  -9.018  -3.814
    4    HB3  LYS  92           HB3      LYS  92  -4.157  -7.659  -3.176
    5    HG2  LYS  92           HG2      LYS  92  -3.982  -7.670  -5.573
    6    HG3  LYS  92           HG3      LYS  92  -2.413  -8.093  -4.861
    7    HD2  LYS  92           HD2      LYS  92  -2.747  -9.633  -6.622
    8    HD3  LYS  92           HD3      LYS  92  -3.093 -10.502  -5.125
    9    HE2  LYS  92           HE2      LYS  92  -5.520 -10.007  -5.504
   10    HE3  LYS  92           HE3      LYS  92  -5.081  -9.382  -7.092
   11    HZ1  LYS  92           HZ1      LYS  92  -4.153 -11.567  -7.631
   12    HZ2  LYS  92           HZ2      LYS  92  -4.627 -12.149  -6.108
   13    HZ3  LYS  92           HZ3      LYS  92  -5.798 -11.674  -7.237

  No H/Q in entry =          13
  In of MODEL   16
    1    H    ILE  93           H        ILE  93  -0.994 -10.268  -3.565
    2    HA   ILE  93           HA       ILE  93   0.334  -8.057  -2.141
    3    HB   ILE  93           HB       ILE  93   1.516 -10.682  -3.050
    4   HG12  ILE  93          HG12      ILE  93   2.053 -10.775  -0.503
    5   HG13  ILE  93          HG13      ILE  93   0.773  -9.583  -0.355
    6   HG21  ILE  93          HG21      ILE  93   3.097  -8.847  -3.351
    7   HG22  ILE  93          HG22      ILE  93   2.884  -8.391  -1.659
    8   HG23  ILE  93          HG23      ILE  93   3.608  -9.946  -2.067
    9   HD11  ILE  93          HD11      ILE  93   0.486 -12.335  -1.530
   10   HD12  ILE  93          HD12      ILE  93  -0.034 -11.829   0.076
   11   HD13  ILE  93          HD13      ILE  93  -0.799 -11.143  -1.355

  No H/Q in entry =          11
  In of MODEL   16
    1    H    VAL  94           H        VAL  94   1.228  -6.546  -3.303
    2    HA   VAL  94           HA       VAL  94   2.193  -7.172  -6.004
    3    HB   VAL  94           HB       VAL  94   0.831  -4.597  -5.163
    4   HG11  VAL  94          HG11      VAL  94   2.701  -4.180  -6.694
    5   HG12  VAL  94          HG12      VAL  94   2.039  -5.354  -7.827
    6   HG13  VAL  94          HG13      VAL  94   1.151  -3.870  -7.475
    7   HG21  VAL  94          HG21      VAL  94  -0.004  -6.720  -7.139
    8   HG22  VAL  94          HG22      VAL  94  -0.750  -6.399  -5.573
    9   HG23  VAL  94          HG23      VAL  94  -0.841  -5.194  -6.855

  No H/Q in entry =           9
  In of MODEL   16
    1    H    LYS  95           H        LYS  95   4.219  -6.610  -6.316
    2    HA   LYS  95           HA       LYS  95   5.762  -5.726  -4.053
    3    HB2  LYS  95           HB2      LYS  95   6.506  -6.477  -6.852
    4    HB3  LYS  95           HB3      LYS  95   7.675  -5.832  -5.713
    5    HG2  LYS  95           HG2      LYS  95   7.119  -7.722  -4.186
    6    HG3  LYS  95           HG3      LYS  95   6.156  -8.415  -5.497
    7    HD2  LYS  95           HD2      LYS  95   8.022  -8.694  -6.878
    8    HD3  LYS  95           HD3      LYS  95   9.013  -7.606  -5.915
    9    HE2  LYS  95           HE2      LYS  95   9.764  -9.815  -5.483
   10    HE3  LYS  95           HE3      LYS  95   8.886  -9.276  -4.054
   11    HZ1  LYS  95           HZ1      LYS  95   7.773 -11.008  -6.204
   12    HZ2  LYS  95           HZ2      LYS  95   8.304 -11.554  -4.689
   13    HZ3  LYS  95           HZ3      LYS  95   6.957 -10.530  -4.798

  No H/Q in entry =          13
  In of MODEL   16
    1    H    TRP  96           H        TRP  96   7.107  -3.895  -3.945
    2    HA   TRP  96           HA       TRP  96   6.093  -1.600  -5.399
    3    HB2  TRP  96           HB2      TRP  96   6.504  -1.241  -3.033
    4    HB3  TRP  96           HB3      TRP  96   8.153  -1.862  -3.164
    5    HD1  TRP  96           HD1      TRP  96   6.045   1.082  -4.517
    6    HE1  TRP  96           HE1      TRP  96   7.577   3.093  -4.848
    7    HE3  TRP  96           HE3      TRP  96  10.474  -1.094  -3.211
    8    HZ2  TRP  96           HZ2      TRP  96  10.342   3.709  -4.534
    9    HZ3  TRP  96           HZ3      TRP  96  12.521   0.262  -3.248
   10    HH2  TRP  96           HH2      TRP  96  12.455   2.635  -3.895

  No H/Q in entry =          10
  In of MODEL   16
    1    H    ASP  97           H        ASP  97   7.089  -0.713  -7.099
    2    HA   ASP  97           HA       ASP  97   9.940  -1.262  -7.465
    3    HB2  ASP  97           HB2      ASP  97   9.694  -1.645  -9.819
    4    HB3  ASP  97           HB3      ASP  97   8.578  -2.726  -8.991

  No H/Q in entry =           4
  In of MODEL   16
    1    H    ARG  98           H        ARG  98  11.070   0.307  -8.491
    2    HA   ARG  98           HA       ARG  98   9.924   2.990  -8.337
    3    HB2  ARG  98           HB2      ARG  98  12.366   3.577  -9.046
    4    HB3  ARG  98           HB3      ARG  98  12.074   3.033  -7.411
    5    HG2  ARG  98           HG2      ARG  98  12.929   1.105  -9.576
    6    HG3  ARG  98           HG3      ARG  98  14.114   2.100  -8.740
    7    HD2  ARG  98           HD2      ARG  98  14.233   0.534  -7.121
    8    HD3  ARG  98           HD3      ARG  98  12.534   0.862  -6.740
    9    HE   ARG  98           HE       ARG  98  12.957  -0.994  -8.922
   10   HH11  ARG  98          HH11      ARG  98  12.453  -0.613  -5.457
   11   HH12  ARG  98          HH12      ARG  98  11.969  -2.270  -5.217
   12   HH21  ARG  98          HH21      ARG  98  12.339  -3.158  -8.589
   13   HH22  ARG  98          HH22      ARG  98  11.941  -3.715  -6.976

  No H/Q in entry =          13
  In of MODEL   16
    1    H    ASP  99           H        ASP  99  10.991   0.624 -10.590
    2    HA   ASP  99           HA       ASP  99   9.448   1.449 -12.725
    3    HB2  ASP  99           HB2      ASP  99  11.047   3.447 -12.672
    4    HB3  ASP  99           HB3      ASP  99  12.303   2.317 -13.177

  No H/Q in entry =           4
  In of MODEL   16
    1    H    MET 100           H        MET 100  11.599  -0.419 -11.212
    2    HA   MET 100           HA       MET 100  11.925  -2.330 -13.334
    3    HB2  MET 100           HB2      MET 100  14.539  -2.285 -12.799
    4    HB3  MET 100           HB3      MET 100  13.865  -1.071 -13.898
    5    HG2  MET 100           HG2      MET 100  13.577   0.345 -11.745
    6    HG3  MET 100           HG3      MET 100  14.752  -0.780 -11.064
    7    HE1  MET 100           HE1      MET 100  14.083   1.827 -13.927
    8    HE2  MET 100           HE2      MET 100  15.635   1.837 -14.763
    9    HE3  MET 100           HE3      MET 100  14.615   0.397 -14.812

  No H/Q in entry =           9
  In of MODEL   17
    1    HA   ILE   2           HA       ILE   2 -21.488  -8.943  -5.575
    2    HB   ILE   2           HB       ILE   2 -23.135  -8.629  -3.495
    3   HG12  ILE   2          HG12      ILE   2 -23.906 -10.990  -2.850
    4   HG13  ILE   2          HG13      ILE   2 -22.336 -11.552  -3.402
    5   HG21  ILE   2          HG21      ILE   2 -23.461 -10.654  -5.700
    6   HG22  ILE   2          HG22      ILE   2 -24.774  -9.957  -4.752
    7   HG23  ILE   2          HG23      ILE   2 -23.796  -8.926  -5.799
    8   HD11  ILE   2          HD11      ILE   2 -21.258 -10.128  -1.728
    9   HD12  ILE   2          HD12      ILE   2 -22.846  -9.597  -1.173
   10   HD13  ILE   2          HD13      ILE   2 -22.372 -11.288  -1.003

  No H/Q in entry =          10
  In of MODEL   17
    1    H    GLN   3           H        GLN   3 -19.849  -7.581  -5.464
    2    HA   GLN   3           HA       GLN   3 -19.519  -5.591  -3.655
    3    HB2  GLN   3           HB2      GLN   3 -18.911  -7.434  -2.007
    4    HB3  GLN   3           HB3      GLN   3 -17.522  -7.800  -3.012
    5    HG2  GLN   3           HG2      GLN   3 -16.982  -6.431  -1.012
    6    HG3  GLN   3           HG3      GLN   3 -16.533  -5.670  -2.541
    7   HE21  GLN   3          HE21      GLN   3 -18.754  -5.602   0.147
    8   HE22  GLN   3          HE22      GLN   3 -19.349  -4.007  -0.140

  No H/Q in entry =           8
  In of MODEL   17
    1    H    ARG   4           H        ARG   4 -16.961  -4.789  -3.863
    2    HA   ARG   4           HA       ARG   4 -16.298  -5.267  -6.685
    3    HB2  ARG   4           HB2      ARG   4 -17.342  -3.091  -6.543
    4    HB3  ARG   4           HB3      ARG   4 -16.350  -2.658  -5.159
    5    HG2  ARG   4           HG2      ARG   4 -14.439  -2.305  -6.443
    6    HG3  ARG   4           HG3      ARG   4 -15.048  -3.281  -7.793
    7    HD2  ARG   4           HD2      ARG   4 -15.042  -0.840  -8.253
    8    HD3  ARG   4           HD3      ARG   4 -16.651  -1.557  -8.369
    9    HE   ARG   4           HE       ARG   4 -16.299  -0.583  -5.766
   10   HH11  ARG   4          HH11      ARG   4 -16.650   0.604  -9.035
   11   HH12  ARG   4          HH12      ARG   4 -17.287   2.147  -8.545
   12   HH21  ARG   4          HH21      ARG   4 -17.149   1.448  -5.111
   13   HH22  ARG   4          HH22      ARG   4 -17.572   2.627  -6.316

  No H/Q in entry =          13
  In of MODEL   17
    1    H    THR   5           H        THR   5 -14.131  -5.521  -7.140
    2    HA   THR   5           HA       THR   5 -12.589  -6.353  -4.874
    3    HB   THR   5           HB       THR   5 -10.990  -7.263  -6.448
    4    HG1  THR   5           HG1      THR   5 -12.454  -5.723  -8.382
    5   HG21  THR   5          HG21      THR   5 -13.859  -7.618  -7.303
    6   HG22  THR   5          HG22      THR   5 -12.530  -8.565  -7.972
    7   HG23  THR   5          HG23      THR   5 -12.900  -8.653  -6.254

  No H/Q in entry =           7
  In of MODEL   17
    1    HA   PRO   6           HA       PRO   6 -10.368  -2.451  -4.562
    2    HB2  PRO   6           HB2      PRO   6  -8.754  -3.794  -2.542
    3    HB3  PRO   6           HB3      PRO   6  -9.849  -2.424  -2.352
    4    HG2  PRO   6           HG2      PRO   6 -10.359  -4.910  -1.337
    5    HG3  PRO   6           HG3      PRO   6 -11.637  -3.755  -1.796
    6    HD2  PRO   6           HD2      PRO   6 -10.614  -6.162  -3.269
    7    HD3  PRO   6           HD3      PRO   6 -12.264  -5.501  -3.159

  No H/Q in entry =           7
  In of MODEL   17
    1    H    LYS   7           H        LYS   7  -8.694  -1.917  -5.816
    2    HA   LYS   7           HA       LYS   7  -6.948  -4.077  -6.732
    3    HB2  LYS   7           HB2      LYS   7  -8.149  -2.624  -8.400
    4    HB3  LYS   7           HB3      LYS   7  -7.242  -1.246  -7.797
    5    HG2  LYS   7           HG2      LYS   7  -5.154  -2.615  -8.407
    6    HG3  LYS   7           HG3      LYS   7  -6.262  -3.599  -9.363
    7    HD2  LYS   7           HD2      LYS   7  -5.321  -1.930 -10.802
    8    HD3  LYS   7           HD3      LYS   7  -7.011  -1.510 -10.512
    9    HE2  LYS   7           HE2      LYS   7  -6.324   0.105  -8.813
   10    HE3  LYS   7           HE3      LYS   7  -4.636  -0.328  -9.071
   11    HZ1  LYS   7           HZ1      LYS   7  -4.928   0.420 -11.416
   12    HZ2  LYS   7           HZ2      LYS   7  -6.460   1.017 -10.988
   13    HZ3  LYS   7           HZ3      LYS   7  -5.070   1.658 -10.265

  No H/Q in entry =          13
  In of MODEL   17
    1    H    ILE   8           H        ILE   8  -4.665  -3.768  -6.825
    2    HA   ILE   8           HA       ILE   8  -3.754  -2.254  -4.496
    3    HB   ILE   8           HB       ILE   8  -2.045  -4.147  -6.075
    4   HG12  ILE   8          HG12      ILE   8  -4.019  -5.434  -5.603
    5   HG13  ILE   8          HG13      ILE   8  -2.770  -5.923  -4.467
    6   HG21  ILE   8          HG21      ILE   8  -2.090  -3.294  -3.185
    7   HG22  ILE   8          HG22      ILE   8  -0.959  -4.451  -3.890
    8   HG23  ILE   8          HG23      ILE   8  -0.944  -2.766  -4.418
    9   HD11  ILE   8          HD11      ILE   8  -5.033  -4.036  -3.889
   10   HD12  ILE   8          HD12      ILE   8  -4.925  -5.725  -3.387
   11   HD13  ILE   8          HD13      ILE   8  -3.783  -4.539  -2.749

  No H/Q in entry =          11
  In of MODEL   17
    1    H    GLN   9           H        GLN   9  -2.741  -0.421  -4.735
    2    HA   GLN   9           HA       GLN   9  -1.046  -0.061  -7.094
    3    HB2  GLN   9           HB2      GLN   9  -2.134   2.513  -6.239
    4    HB3  GLN   9           HB3      GLN   9  -2.236   1.823  -7.866
    5    HG2  GLN   9           HG2      GLN   9  -4.187   0.605  -7.327
    6    HG3  GLN   9           HG3      GLN   9  -4.088   1.043  -5.628
    7   HE21  GLN   9          HE21      GLN   9  -4.575   3.173  -5.014
    8   HE22  GLN   9          HE22      GLN   9  -5.482   4.239  -6.044

  No H/Q in entry =           8
  In of MODEL   17
    1    H    VAL  10           H        VAL  10   0.935   0.250  -6.408
    2    HA   VAL  10           HA       VAL  10   1.464   1.662  -3.910
    3    HB   VAL  10           HB       VAL  10   1.557  -0.516  -3.036
    4   HG11  VAL  10          HG11      VAL  10   1.331  -1.687  -5.191
    5   HG12  VAL  10          HG12      VAL  10   3.059  -1.463  -5.467
    6   HG13  VAL  10          HG13      VAL  10   2.501  -2.443  -4.108
    7   HG21  VAL  10          HG21      VAL  10   4.355   0.164  -3.938
    8   HG22  VAL  10          HG22      VAL  10   3.581   0.629  -2.422
    9   HG23  VAL  10          HG23      VAL  10   3.972  -1.066  -2.734

  No H/Q in entry =           9
  In of MODEL   17
    1    H    TYR  11           H        TYR  11   3.129   2.973  -4.012
    2    HA   TYR  11           HA       TYR  11   5.295   2.652  -5.846
    3    HB2  TYR  11           HB2      TYR  11   4.900   4.758  -7.091
    4    HB3  TYR  11           HB3      TYR  11   3.662   3.555  -7.417
    5    HD1  TYR  11           HD1      TYR  11   1.379   3.923  -6.760
    6    HD2  TYR  11           HD2      TYR  11   4.372   6.786  -5.804
    7    HE1  TYR  11           HE1      TYR  11  -0.373   5.566  -6.238
    8    HE2  TYR  11           HE2      TYR  11   2.629   8.439  -5.277
    9    HH   TYR  11           HH       TYR  11  -0.675   7.599  -4.972

  No H/Q in entry =           9
  In of MODEL   17
    1    H    SER  12           H        SER  12   6.787   4.561  -5.675
    2    HA   SER  12           HA       SER  12   6.983   5.263  -2.871
    3    HB2  SER  12           HB2      SER  12   8.976   4.487  -4.115
    4    HB3  SER  12           HB3      SER  12   8.824   5.868  -5.195
    5    HG   SER  12           HG       SER  12   9.960   6.926  -3.809

  No H/Q in entry =           5
  In of MODEL   17
    1    H    ARG  13           H        ARG  13   6.794   7.325  -2.021
    2    HA   ARG  13           HA       ARG  13   5.016   9.129  -3.164
    3    HB2  ARG  13           HB2      ARG  13   5.787   9.147  -0.757
    4    HB3  ARG  13           HB3      ARG  13   7.309   9.837  -1.284
    5    HG2  ARG  13           HG2      ARG  13   4.721  11.283  -1.795
    6    HG3  ARG  13           HG3      ARG  13   5.551  11.383  -0.248
    7    HD2  ARG  13           HD2      ARG  13   6.764  12.082  -2.919
    8    HD3  ARG  13           HD3      ARG  13   6.136  13.239  -1.751
    9    HE   ARG  13           HE       ARG  13   8.534  11.574  -1.408
   10   HH11  ARG  13          HH11      ARG  13   6.567  14.304  -0.463
   11   HH12  ARG  13          HH12      ARG  13   7.731  14.919   0.663
   12   HH21  ARG  13          HH21      ARG  13  10.095  12.403   0.058
   13   HH22  ARG  13          HH22      ARG  13   9.730  13.852   0.957

  No H/Q in entry =          13
  In of MODEL   17
    1    H    HIS  14           H        HIS  14   8.502   9.050  -3.482
    2    HA   HIS  14           HA       HIS  14   8.338  10.731  -5.839
    3    HB2  HIS  14           HB2      HIS  14   9.747  11.492  -3.327
    4    HB3  HIS  14           HB3      HIS  14  10.620  11.787  -4.827
    5    HD2  HIS  14           HD2      HIS  14   7.220  12.463  -5.940
    6    HE1  HIS  14           HE1      HIS  14   8.399  16.044  -4.029
    7    HE2  HIS  14           HE2      HIS  14   6.882  15.028  -5.787

  No H/Q in entry =           7
  In of MODEL   17
    1    HA   PRO  15           HA       PRO  15  11.501   8.115  -7.656
    2    HB2  PRO  15           HB2      PRO  15  13.925   9.580  -7.357
    3    HB3  PRO  15           HB3      PRO  15  12.907   9.455  -8.802
    4    HG2  PRO  15           HG2      PRO  15  13.041  11.642  -6.763
    5    HG3  PRO  15           HG3      PRO  15  12.572  11.710  -8.494
    6    HD2  PRO  15           HD2      PRO  15  10.747  11.893  -6.495
    7    HD3  PRO  15           HD3      PRO  15  10.375  11.095  -8.054

  No H/Q in entry =           7
  In of MODEL   17
    1    H    ALA  16           H        ALA  16  12.611   6.420  -6.903
    2    HA   ALA  16           HA       ALA  16  13.165   6.371  -4.056
    3    HB1  ALA  16           HB1      ALA  16  11.797   4.609  -5.071
    4    HB2  ALA  16           HB2      ALA  16  13.168   4.141  -6.075
    5    HB3  ALA  16           HB3      ALA  16  13.259   3.962  -4.325

  No H/Q in entry =           5
  In of MODEL   17
    1    H    GLU  17           H        GLU  17  15.163   6.522  -3.256
    2    HA   GLU  17           HA       GLU  17  17.417   5.920  -5.032
    3    HB2  GLU  17           HB2      GLU  17  17.127   8.302  -4.191
    4    HB3  GLU  17           HB3      GLU  17  17.498   7.683  -2.583
    5    HG2  GLU  17           HG2      GLU  17  19.487   8.609  -3.551
    6    HG3  GLU  17           HG3      GLU  17  19.655   6.856  -3.448

  No H/Q in entry =           6
  In of MODEL   17
    1    H    ASN  18           H        ASN  18  18.668   4.276  -4.495
    2    HA   ASN  18           HA       ASN  18  18.137   2.747  -2.113
    3    HB2  ASN  18           HB2      ASN  18  18.587   1.289  -3.814
    4    HB3  ASN  18           HB3      ASN  18  19.705   2.389  -4.619
    5   HD21  ASN  18          HD21      ASN  18  21.321   0.956  -4.955
    6   HD22  ASN  18          HD22      ASN  18  22.246   0.227  -3.681

  No H/Q in entry =           6
  In of MODEL   17
    1    H    GLY  19           H        GLY  19  19.176   2.803  -0.267
    2    HA2  GLY  19           HA2      GLY  19  21.855   3.910  -0.018
    3    HA3  GLY  19           HA3      GLY  19  20.863   3.229   1.282

  No H/Q in entry =           3
  In of MODEL   17
    1    H    LYS  20           H        LYS  20  18.580   4.880   0.327
    2    HA   LYS  20           HA       LYS  20  19.329   7.414   1.585
    3    HB2  LYS  20           HB2      LYS  20  19.501   7.426  -0.989
    4    HB3  LYS  20           HB3      LYS  20  17.752   7.306  -0.976
    5    HG2  LYS  20           HG2      LYS  20  18.302   9.579  -1.267
    6    HG3  LYS  20           HG3      LYS  20  17.687   9.400   0.379
    7    HD2  LYS  20           HD2      LYS  20  19.999   9.349   1.222
    8    HD3  LYS  20           HD3      LYS  20  20.593   9.556  -0.425
    9    HE2  LYS  20           HE2      LYS  20  18.880  11.513   1.109
   10    HE3  LYS  20           HE3      LYS  20  20.606  11.675   0.780
   11    HZ1  LYS  20           HZ1      LYS  20  20.084  11.703  -1.599
   12    HZ2  LYS  20           HZ2      LYS  20  18.426  11.636  -1.241
   13    HZ3  LYS  20           HZ3      LYS  20  19.344  12.983  -0.773

  No H/Q in entry =          13
  In of MODEL   17
    1    H    SER  21           H        SER  21  17.609   8.443   2.584
    2    HA   SER  21           HA       SER  21  15.446   6.784   3.382
    3    HB2  SER  21           HB2      SER  21  15.950   9.724   3.789
    4    HB3  SER  21           HB3      SER  21  14.728   8.783   4.636
    5    HG   SER  21           HG       SER  21  16.895   7.444   5.016

  No H/Q in entry =           5
  In of MODEL   17
    1    H    ASN  22           H        ASN  22  13.417   6.714   2.670
    2    HA   ASN  22           HA       ASN  22  12.425   8.722   0.796
    3    HB2  ASN  22           HB2      ASN  22  13.319   6.082  -0.027
    4    HB3  ASN  22           HB3      ASN  22  11.585   6.232  -0.298
    5   HD21  ASN  22          HD21      ASN  22  10.838   7.774  -1.769
    6   HD22  ASN  22          HD22      ASN  22  11.885   8.506  -2.935

  No H/Q in entry =           6
  In of MODEL   17
    1    H    PHE  23           H        PHE  23  10.019   8.124   0.273
    2    HA   PHE  23           HA       PHE  23   8.810   7.027   2.726
    3    HB2  PHE  23           HB2      PHE  23   7.908   9.399   1.073
    4    HB3  PHE  23           HB3      PHE  23   6.932   8.658   2.331
    5    HD1  PHE  23           HD1      PHE  23   6.834   9.898   4.220
    6    HD2  PHE  23           HD2      PHE  23  10.488   9.817   2.059
    7    HE1  PHE  23           HE1      PHE  23   7.855  11.368   5.908
    8    HE2  PHE  23           HE2      PHE  23  11.524  11.272   3.748
    9    HZ   PHE  23           HZ       PHE  23  10.206  12.037   5.681

  No H/Q in entry =           9
  In of MODEL   17
    1    H    LEU  24           H        LEU  24   7.337   5.446   2.442
    2    HA   LEU  24           HA       LEU  24   6.742   4.596  -0.303
    3    HB2  LEU  24           HB2      LEU  24   7.365   3.254   2.037
    4    HB3  LEU  24           HB3      LEU  24   5.647   2.982   1.867
    5    HG   LEU  24           HG       LEU  24   7.823   2.196  -0.096
    6   HD11  LEU  24          HD11      LEU  24   7.635   0.788   1.911
    7   HD12  LEU  24          HD12      LEU  24   5.922   0.544   1.575
    8   HD13  LEU  24          HD13      LEU  24   7.136  -0.079   0.457
    9   HD21  LEU  24          HD21      LEU  24   4.824   1.934  -0.344
   10   HD22  LEU  24          HD22      LEU  24   5.923   2.800  -1.421
   11   HD23  LEU  24          HD23      LEU  24   5.988   1.040  -1.327

  No H/Q in entry =          11
  In of MODEL   17
    1    H    ASN  25           H        ASN  25   4.619   4.161  -0.948
    2    HA   ASN  25           HA       ASN  25   2.453   5.077   0.791
    3    HB2  ASN  25           HB2      ASN  25   3.271   6.398  -1.737
    4    HB3  ASN  25           HB3      ASN  25   1.551   6.077  -1.592
    5   HD21  ASN  25          HD21      ASN  25   3.599   6.812   1.163
    6   HD22  ASN  25          HD22      ASN  25   2.922   8.378   1.473

  No H/Q in entry =           6
  In of MODEL   17
    1    H    CYS  26           H        CYS  26   0.795   3.684   0.751
    2    HA   CYS  26           HA       CYS  26   0.477   1.944  -1.596
    3    HB2  CYS  26           HB2      CYS  26   1.415   0.891   0.586
    4    HB3  CYS  26           HB3      CYS  26  -0.238   1.062   1.184

  No H/Q in entry =           4
  In of MODEL   17
    1    H    TYR  27           H        TYR  27  -1.437   2.214  -2.527
    2    HA   TYR  27           HA       TYR  27  -3.524   3.684  -1.032
    3    HB2  TYR  27           HB2      TYR  27  -2.369   4.067  -3.749
    4    HB3  TYR  27           HB3      TYR  27  -4.104   4.256  -3.611
    5    HD1  TYR  27           HD1      TYR  27  -0.869   5.796  -3.050
    6    HD2  TYR  27           HD2      TYR  27  -5.021   6.083  -2.124
    7    HE1  TYR  27           HE1      TYR  27  -0.583   8.178  -2.505
    8    HE2  TYR  27           HE2      TYR  27  -4.738   8.458  -1.577
    9    HH   TYR  27           HH       TYR  27  -3.227  10.080  -1.138

  No H/Q in entry =           9
  In of MODEL   17
    1    H    VAL  28           H        VAL  28  -4.913   1.993  -0.525
    2    HA   VAL  28           HA       VAL  28  -5.787   0.345  -2.806
    3    HB   VAL  28           HB       VAL  28  -6.476  -0.334   0.039
    4   HG11  VAL  28          HG11      VAL  28  -6.130  -1.945  -2.483
    5   HG12  VAL  28          HG12      VAL  28  -6.537  -2.619  -0.904
    6   HG13  VAL  28          HG13      VAL  28  -7.657  -1.514  -1.708
    7   HG21  VAL  28          HG21      VAL  28  -3.913  -1.050  -1.382
    8   HG22  VAL  28          HG22      VAL  28  -4.077  -0.140   0.123
    9   HG23  VAL  28          HG23      VAL  28  -4.505  -1.855   0.076

  No H/Q in entry =           9
  In of MODEL   17
    1    H    SER  29           H        SER  29  -7.611   1.045  -3.707
    2    HA   SER  29           HA       SER  29  -9.834   1.881  -2.038
    3    HB2  SER  29           HB2      SER  29  -8.441   3.943  -2.443
    4    HB3  SER  29           HB3      SER  29  -8.780   3.761  -4.163
    5    HG   SER  29           HG       SER  29 -10.521   4.435  -2.052

  No H/Q in entry =           5
  In of MODEL   17
    1    H    GLY  30           H        GLY  30 -11.651   2.732  -3.692
    2    HA2  GLY  30           HA2      GLY  30 -11.704   1.131  -6.127
    3    HA3  GLY  30           HA3      GLY  30 -12.895   2.330  -5.639

  No H/Q in entry =           3
  In of MODEL   17
    1    H    PHE  31           H        PHE  31 -12.970   1.079  -2.918
    2    HA   PHE  31           HA       PHE  31 -14.600  -1.276  -3.599
    3    HB2  PHE  31           HB2      PHE  31 -13.738  -2.360  -1.552
    4    HB3  PHE  31           HB3      PHE  31 -12.421  -1.958  -2.676
    5    HD1  PHE  31           HD1      PHE  31 -10.866  -0.169  -2.181
    6    HD2  PHE  31           HD2      PHE  31 -13.966  -1.179   0.547
    7    HE1  PHE  31           HE1      PHE  31  -9.748   1.144  -0.431
    8    HE2  PHE  31           HE2      PHE  31 -12.834   0.109   2.307
    9    HZ   PHE  31           HZ       PHE  31 -10.740   1.295   1.813

  No H/Q in entry =           9
  In of MODEL   17
    1    H    HIS  32           H        HIS  32 -15.703  -2.007  -1.391
    2    HA   HIS  32           HA       HIS  32 -16.671   0.261   0.184
    3    HB2  HIS  32           HB2      HIS  32 -18.645  -1.772  -0.975
    4    HB3  HIS  32           HB3      HIS  32 -19.010  -0.466   0.134
    5    HD2  HIS  32           HD2      HIS  32 -18.280  -1.017  -3.643
    6    HE1  HIS  32           HE1      HIS  32 -19.677   2.926  -3.028
    7    HE2  HIS  32           HE2      HIS  32 -19.368   1.074  -4.731

  No H/Q in entry =           7
  In of MODEL   17
    1    HA   PRO  33           HA       PRO  33 -18.876  -0.127   1.902
    2    HB2  PRO  33           HB2      PRO  33 -18.315   0.450   4.532
    3    HB3  PRO  33           HB3      PRO  33 -19.471  -0.772   3.997
    4    HG2  PRO  33           HG2      PRO  33 -16.651  -1.099   4.918
    5    HG3  PRO  33           HG3      PRO  33 -18.064  -2.121   5.239
    6    HD2  PRO  33           HD2      PRO  33 -16.187  -2.791   3.429
    7    HD3  PRO  33           HD3      PRO  33 -17.900  -3.205   3.203

  No H/Q in entry =           7
  In of MODEL   17
    1    H    SER  34           H        SER  34 -16.066   0.598   4.075
    2    HA   SER  34           HA       SER  34 -15.042   2.533   2.203
    3    HB2  SER  34           HB2      SER  34 -16.031   3.287   4.974
    4    HB3  SER  34           HB3      SER  34 -15.092   4.337   3.914
    5    HG   SER  34           HG       SER  34 -17.220   3.361   2.589

  No H/Q in entry =           5
  In of MODEL   17
    1    H    ASP  35           H        ASP  35 -14.503  -0.055   3.790
    2    HA   ASP  35           HA       ASP  35 -12.057   0.780   5.183
    3    HB2  ASP  35           HB2      ASP  35 -14.189  -1.096   6.207
    4    HB3  ASP  35           HB3      ASP  35 -12.581  -0.977   6.911

  No H/Q in entry =           4
  In of MODEL   17
    1    H    ILE  36           H        ILE  36 -10.323  -0.382   4.660
    2    HA   ILE  36           HA       ILE  36 -10.583  -3.236   4.091
    3    HB   ILE  36           HB       ILE  36 -10.433  -1.950   1.863
    4   HG12  ILE  36          HG12      ILE  36  -8.615  -4.159   2.745
    5   HG13  ILE  36          HG13      ILE  36 -10.010  -4.231   1.679
    6   HG21  ILE  36          HG21      ILE  36  -7.610  -1.565   2.847
    7   HG22  ILE  36          HG22      ILE  36  -8.166  -1.247   1.201
    8   HG23  ILE  36          HG23      ILE  36  -8.784  -0.284   2.542
    9   HD11  ILE  36          HD11      ILE  36  -7.355  -3.005   0.966
   10   HD12  ILE  36          HD12      ILE  36  -7.876  -4.630   0.522
   11   HD13  ILE  36          HD13      ILE  36  -8.735  -3.225  -0.111

  No H/Q in entry =          11
  In of MODEL   17
    1    H    GLU  37           H        GLU  37  -8.531  -4.383   4.517
    2    HA   GLU  37           HA       GLU  37  -6.754  -2.809   6.233
    3    HB2  GLU  37           HB2      GLU  37  -8.228  -4.911   6.998
    4    HB3  GLU  37           HB3      GLU  37  -6.884  -5.798   6.301
    5    HG2  GLU  37           HG2      GLU  37  -6.708  -3.778   8.516
    6    HG3  GLU  37           HG3      GLU  37  -6.643  -5.530   8.694

  No H/Q in entry =           6
  In of MODEL   17
    1    H    VAL  38           H        VAL  38  -4.629  -2.767   5.680
    2    HA   VAL  38           HA       VAL  38  -3.628  -4.605   3.683
    3    HB   VAL  38           HB       VAL  38  -3.868  -3.271   1.926
    4   HG11  VAL  38          HG11      VAL  38  -4.562  -1.056   3.827
    5   HG12  VAL  38          HG12      VAL  38  -4.694  -0.951   2.071
    6   HG13  VAL  38          HG13      VAL  38  -5.671  -2.119   2.961
    7   HG21  VAL  38          HG21      VAL  38  -1.949  -1.425   3.350
    8   HG22  VAL  38          HG22      VAL  38  -1.536  -2.721   2.230
    9   HG23  VAL  38          HG23      VAL  38  -2.389  -1.288   1.642

  No H/Q in entry =           9
  In of MODEL   17
    1    H    ASP  39           H        ASP  39  -1.463  -4.887   3.722
    2    HA   ASP  39           HA       ASP  39   0.019  -3.463   5.825
    3    HB2  ASP  39           HB2      ASP  39   0.127  -5.285   7.133
    4    HB3  ASP  39           HB3      ASP  39  -0.981  -6.090   6.036

  No H/Q in entry =           4
  In of MODEL   17
    1    H    LEU  40           H        LEU  40   2.251  -3.331   5.515
    2    HA   LEU  40           HA       LEU  40   3.039  -3.762   2.727
    3    HB2  LEU  40           HB2      LEU  40   4.583  -2.173   4.762
    4    HB3  LEU  40           HB3      LEU  40   4.705  -2.109   3.015
    5    HG   LEU  40           HG       LEU  40   2.386  -1.101   4.660
    6   HD11  LEU  40          HD11      LEU  40   4.415   0.270   4.840
    7   HD12  LEU  40          HD12      LEU  40   4.467   0.403   3.081
    8   HD13  LEU  40          HD13      LEU  40   3.122   1.104   3.981
    9   HD21  LEU  40          HD21      LEU  40   2.855  -1.076   1.690
   10   HD22  LEU  40          HD22      LEU  40   1.544  -1.875   2.562
   11   HD23  LEU  40          HD23      LEU  40   1.632  -0.109   2.515

  No H/Q in entry =          11
  In of MODEL   17
    1    H    LEU  41           H        LEU  41   4.787  -4.950   2.166
    2    HA   LEU  41           HA       LEU  41   5.781  -6.726   4.288
    3    HB2  LEU  41           HB2      LEU  41   5.795  -7.397   1.379
    4    HB3  LEU  41           HB3      LEU  41   5.935  -8.468   2.739
    5    HG   LEU  41           HG       LEU  41   3.405  -7.020   1.984
    6   HD11  LEU  41          HD11      LEU  41   4.335  -8.739   0.356
    7   HD12  LEU  41          HD12      LEU  41   4.042  -9.935   1.613
    8   HD13  LEU  41          HD13      LEU  41   2.699  -9.009   0.937
    9   HD21  LEU  41          HD21      LEU  41   3.956  -9.257   3.938
   10   HD22  LEU  41          HD22      LEU  41   3.553  -7.591   4.359
   11   HD23  LEU  41          HD23      LEU  41   2.366  -8.606   3.538

  No H/Q in entry =          11
  In of MODEL   17
    1    H    LYS  42           H        LYS  42   7.658  -7.973   3.413
    2    HA   LYS  42           HA       LYS  42   9.666  -6.489   1.989
    3    HB2  LYS  42           HB2      LYS  42   9.816  -6.900   4.927
    4    HB3  LYS  42           HB3      LYS  42  11.300  -7.046   3.990
    5    HG2  LYS  42           HG2      LYS  42  10.958  -4.816   3.081
    6    HG3  LYS  42           HG3      LYS  42   9.466  -4.652   4.012
    7    HD2  LYS  42           HD2      LYS  42  12.269  -5.024   5.112
    8    HD3  LYS  42           HD3      LYS  42  11.334  -3.528   5.134
    9    HE2  LYS  42           HE2      LYS  42   9.793  -4.399   6.696
   10    HE3  LYS  42           HE3      LYS  42  10.369  -6.049   6.460
   11    HZ1  LYS  42           HZ1      LYS  42  12.172  -3.961   7.512
   12    HZ2  LYS  42           HZ2      LYS  42  11.105  -4.772   8.544
   13    HZ3  LYS  42           HZ3      LYS  42  12.277  -5.646   7.680

  No H/Q in entry =          13
  In of MODEL   17
    1    H    ASN  43           H        ASN  43   9.936  -8.032   0.547
    2    HA   ASN  43           HA       ASN  43  10.444  -9.980  -0.457
    3    HB2  ASN  43           HB2      ASN  43  11.849 -10.446   2.159
    4    HB3  ASN  43           HB3      ASN  43  11.869 -11.655   0.879
    5   HD21  ASN  43          HD21      ASN  43  13.169  -8.722   2.047
    6   HD22  ASN  43          HD22      ASN  43  14.257  -8.424   0.729

  No H/Q in entry =           6
  In of MODEL   17
    1    H    GLY  44           H        GLY  44   8.540  -9.989   2.335
    2    HA2  GLY  44           HA2      GLY  44   7.669 -12.735   2.070
    3    HA3  GLY  44           HA3      GLY  44   6.531 -11.530   1.471

  No H/Q in entry =           3
  In of MODEL   17
    1    H    GLU  45           H        GLU  45   8.167 -10.085   3.935
    2    HA   GLU  45           HA       GLU  45   6.495 -11.264   6.046
    3    HB2  GLU  45           HB2      GLU  45   9.127  -9.828   6.225
    4    HB3  GLU  45           HB3      GLU  45   8.320 -10.688   7.534
    5    HG2  GLU  45           HG2      GLU  45   9.197 -12.003   4.990
    6    HG3  GLU  45           HG3      GLU  45  10.241 -11.831   6.378

  No H/Q in entry =           6
  In of MODEL   17
    1    H    ARG  46           H        ARG  46   5.426  -9.930   7.469
    2    HA   ARG  46           HA       ARG  46   4.565  -7.438   6.514
    3    HB2  ARG  46           HB2      ARG  46   3.170  -8.857   7.906
    4    HB3  ARG  46           HB3      ARG  46   4.317  -8.708   9.235
    5    HG2  ARG  46           HG2      ARG  46   3.842  -6.343   9.438
    6    HG3  ARG  46           HG3      ARG  46   2.782  -6.404   8.035
    7    HD2  ARG  46           HD2      ARG  46   1.104  -7.542   9.192
    8    HD3  ARG  46           HD3      ARG  46   2.222  -8.107  10.442
    9    HE   ARG  46           HE       ARG  46   2.203  -5.939  11.403
   10   HH11  ARG  46          HH11      ARG  46  -0.075  -6.331   8.773
   11   HH12  ARG  46          HH12      ARG  46  -0.985  -4.906   9.173
   12   HH21  ARG  46          HH21      ARG  46   1.003  -4.065  11.938
   13   HH22  ARG  46          HH22      ARG  46  -0.362  -3.615  10.964

  No H/Q in entry =          13
  In of MODEL   17
    1    H    ILE  47           H        ILE  47   5.127  -5.405   6.956
    2    HA   ILE  47           HA       ILE  47   7.433  -4.858   8.659
    3    HB   ILE  47           HB       ILE  47   5.805  -2.999   6.913
    4   HG12  ILE  47          HG12      ILE  47   8.500  -4.221   6.374
    5   HG13  ILE  47          HG13      ILE  47   6.996  -4.821   5.688
    6   HG21  ILE  47          HG21      ILE  47   6.977  -1.848   8.727
    7   HG22  ILE  47          HG22      ILE  47   8.491  -2.608   8.236
    8   HG23  ILE  47          HG23      ILE  47   7.693  -1.457   7.163
    9   HD11  ILE  47          HD11      ILE  47   8.117  -2.063   5.261
   10   HD12  ILE  47          HD12      ILE  47   8.238  -3.409   4.128
   11   HD13  ILE  47          HD13      ILE  47   6.659  -2.731   4.525

  No H/Q in entry =          11
  In of MODEL   17
    1    H    GLU  48           H        GLU  48   7.280  -3.660  10.558
    2    HA   GLU  48           HA       GLU  48   4.604  -3.655  11.672
    3    HB2  GLU  48           HB2      GLU  48   5.964  -3.164  13.823
    4    HB3  GLU  48           HB3      GLU  48   6.007  -4.775  13.125
    5    HG2  GLU  48           HG2      GLU  48   8.113  -2.692  12.673
    6    HG3  GLU  48           HG3      GLU  48   8.188  -3.887  13.952

  No H/Q in entry =           6
  In of MODEL   17
    1    H    LYS  49           H        LYS  49   7.304  -1.349  11.224
    2    HA   LYS  49           HA       LYS  49   6.218   0.863  12.435
    3    HB2  LYS  49           HB2      LYS  49   7.921   0.682   9.961
    4    HB3  LYS  49           HB3      LYS  49   7.627   2.163  10.864
    5    HG2  LYS  49           HG2      LYS  49   8.567  -0.074  12.478
    6    HG3  LYS  49           HG3      LYS  49   9.709   0.496  11.269
    7    HD2  LYS  49           HD2      LYS  49   9.363   2.792  12.140
    8    HD3  LYS  49           HD3      LYS  49   8.362   2.104  13.418
    9    HE2  LYS  49           HE2      LYS  49  10.595   2.479  14.260
   10    HE3  LYS  49           HE3      LYS  49  10.290   0.745  14.148
   11    HZ1  LYS  49           HZ1      LYS  49  11.749   2.324  12.095
   12    HZ2  LYS  49           HZ2      LYS  49  12.502   1.426  13.321
   13    HZ3  LYS  49           HZ3      LYS  49  11.570   0.637  12.141

  No H/Q in entry =          13
  In of MODEL   17
    1    H    VAL  50           H        VAL  50   4.980  -0.695   9.688
    2    HA   VAL  50           HA       VAL  50   3.932   1.452   8.231
    3    HB   VAL  50           HB       VAL  50   2.698  -1.276   8.579
    4   HG11  VAL  50          HG11      VAL  50   1.198   0.519   7.699
    5   HG12  VAL  50          HG12      VAL  50   2.334   0.739   6.360
    6   HG13  VAL  50          HG13      VAL  50   1.489  -0.801   6.553
    7   HG21  VAL  50          HG21      VAL  50   4.660  -0.240   6.536
    8   HG22  VAL  50          HG22      VAL  50   4.980  -1.445   7.783
    9   HG23  VAL  50          HG23      VAL  50   3.860  -1.808   6.472

  No H/Q in entry =           9
  In of MODEL   17
    1    H    GLU  51           H        GLU  51   2.514   2.909   8.775
    2    HA   GLU  51           HA       GLU  51   0.259   2.074  10.459
    3    HB2  GLU  51           HB2      GLU  51   1.498   4.835  10.398
    4    HB3  GLU  51           HB3      GLU  51   0.122   4.324  11.374
    5    HG2  GLU  51           HG2      GLU  51   2.628   2.818  11.697
    6    HG3  GLU  51           HG3      GLU  51   2.575   4.460  12.336

  No H/Q in entry =           6
  In of MODEL   17
    1    H    HIS  52           H        HIS  52  -1.617   3.375  10.105
    2    HA   HIS  52           HA       HIS  52  -1.869   4.279   7.312
    3    HB2  HIS  52           HB2      HIS  52  -4.297   3.712   7.456
    4    HB3  HIS  52           HB3      HIS  52  -3.200   2.336   7.500
    5    HD2  HIS  52           HD2      HIS  52  -2.884   1.280  10.242
    6    HE1  HIS  52           HE1      HIS  52  -6.711   2.723  11.323
    7    HE2  HIS  52           HE2      HIS  52  -4.902   1.029  11.852

  No H/Q in entry =           7
  In of MODEL   17
    1    H    SER  53           H        SER  53  -2.562   6.271   6.932
    2    HA   SER  53           HA       SER  53  -3.247   7.862   9.309
    3    HB2  SER  53           HB2      SER  53  -1.102   8.368   8.023
    4    HB3  SER  53           HB3      SER  53  -2.139   8.965   6.730
    5    HG   SER  53           HG       SER  53  -2.549   9.897   9.349

  No H/Q in entry =           5
  In of MODEL   17
    1    H    ASP  54           H        ASP  54  -4.003  10.148   7.849
    2    HA   ASP  54           HA       ASP  54  -6.639  10.263   7.994
    3    HB2  ASP  54           HB2      ASP  54  -5.278  12.174   7.410
    4    HB3  ASP  54           HB3      ASP  54  -4.973  11.511   5.807

  No H/Q in entry =           4
  In of MODEL   17
    1    H    LEU  55           H        LEU  55  -8.286   9.242   7.295
    2    HA   LEU  55           HA       LEU  55  -8.235   7.378   5.147
    3    HB2  LEU  55           HB2      LEU  55  -9.682   7.450   7.328
    4    HB3  LEU  55           HB3      LEU  55 -10.771   8.419   6.366
    5    HG   LEU  55           HG       LEU  55 -11.369   5.992   6.546
    6   HD11  LEU  55          HD11      LEU  55 -12.266   7.358   4.745
    7   HD12  LEU  55          HD12      LEU  55 -10.849   6.996   3.758
    8   HD13  LEU  55          HD13      LEU  55 -11.965   5.705   4.206
    9   HD21  LEU  55          HD21      LEU  55  -8.936   5.640   4.812
   10   HD22  LEU  55          HD22      LEU  55  -9.153   5.035   6.456
   11   HD23  LEU  55          HD23      LEU  55 -10.148   4.400   5.144

  No H/Q in entry =          11
  In of MODEL   17
    1    H    SER  56           H        SER  56 -11.028   9.441   5.242
    2    HA   SER  56           HA       SER  56 -10.549  11.098   3.039
    3    HB2  SER  56           HB2      SER  56 -11.654   8.368   2.378
    4    HB3  SER  56           HB3      SER  56 -12.035   9.773   1.387
    5    HG   SER  56           HG       SER  56  -9.367   9.108   2.018

  No H/Q in entry =           5
  In of MODEL   17
    1    H    PHE  57           H        PHE  57 -12.857  11.399   1.847
    2    HA   PHE  57           HA       PHE  57 -14.957  11.349   3.908
    3    HB2  PHE  57           HB2      PHE  57 -13.950  13.671   3.620
    4    HB3  PHE  57           HB3      PHE  57 -14.564  13.655   1.968
    5    HD1  PHE  57           HD1      PHE  57 -16.930  13.852   1.522
    6    HD2  PHE  57           HD2      PHE  57 -15.445  13.873   5.506
    7    HE1  PHE  57           HE1      PHE  57 -19.097  14.700   2.312
    8    HE2  PHE  57           HE2      PHE  57 -17.610  14.726   6.311
    9    HZ   PHE  57           HZ       PHE  57 -19.439  15.140   4.714

  No H/Q in entry =           9
  In of MODEL   17
    1    H    SER  58           H        SER  58 -16.934  10.759   3.182
    2    HA   SER  58           HA       SER  58 -17.199   9.501   0.637
    3    HB2  SER  58           HB2      SER  58 -18.366   8.771   2.748
    4    HB3  SER  58           HB3      SER  58 -19.378  10.209   2.630
    5    HG   SER  58           HG       SER  58 -20.068   8.031   1.655

  No H/Q in entry =           5
  In of MODEL   17
    1    H    LYS  59           H        LYS  59 -19.859  10.259  -0.087
    2    HA   LYS  59           HA       LYS  59 -21.248  11.937  -0.744
    3    HB2  LYS  59           HB2      LYS  59 -20.716  13.506   0.881
    4    HB3  LYS  59           HB3      LYS  59 -19.055  13.663   0.338
    5    HG2  LYS  59           HG2      LYS  59 -20.246  15.673  -0.165
    6    HG3  LYS  59           HG3      LYS  59 -19.857  14.844  -1.672
    7    HD2  LYS  59           HD2      LYS  59 -22.172  13.894  -1.653
    8    HD3  LYS  59           HD3      LYS  59 -22.524  14.927  -0.265
    9    HE2  LYS  59           HE2      LYS  59 -23.271  15.892  -2.421
   10    HE3  LYS  59           HE3      LYS  59 -22.111  16.911  -1.576
   11    HZ1  LYS  59           HZ1      LYS  59 -20.360  15.989  -3.027
   12    HZ2  LYS  59           HZ2      LYS  59 -21.540  15.114  -3.877
   13    HZ3  LYS  59           HZ3      LYS  59 -21.561  16.805  -3.899

  No H/Q in entry =          13
  In of MODEL   17
    1    H    ASP  60           H        ASP  60 -18.019  11.545  -2.018
    2    HA   ASP  60           HA       ASP  60 -18.991  12.546  -4.545
    3    HB2  ASP  60           HB2      ASP  60 -16.885  13.967  -3.014
    4    HB3  ASP  60           HB3      ASP  60 -16.697  13.847  -4.763

  No H/Q in entry =           4
  In of MODEL   17
    1    H    TRP  61           H        TRP  61 -15.831  11.635  -3.132
    2    HA   TRP  61           HA       TRP  61 -15.363  10.211  -5.651
    3    HB2  TRP  61           HB2      TRP  61 -13.315  11.290  -3.707
    4    HB3  TRP  61           HB3      TRP  61 -12.975  10.547  -5.265
    5    HD1  TRP  61           HD1      TRP  61 -13.509  13.845  -3.708
    6    HE1  TRP  61           HE1      TRP  61 -13.802  15.668  -5.501
    7    HE3  TRP  61           HE3      TRP  61 -14.193  10.853  -7.799
    8    HZ2  TRP  61           HZ2      TRP  61 -14.265  15.816  -8.280
    9    HZ3  TRP  61           HZ3      TRP  61 -14.557  11.900  -9.989
   10    HH2  TRP  61           HH2      TRP  61 -14.593  14.365 -10.227

  No H/Q in entry =          10
  In of MODEL   17
    1    H    SER  62           H        SER  62 -13.373   8.583  -5.217
    2    HA   SER  62           HA       SER  62 -14.498   6.462  -3.691
    3    HB2  SER  62           HB2      SER  62 -11.762   6.752  -4.982
    4    HB3  SER  62           HB3      SER  62 -12.403   5.238  -4.330
    5    HG   SER  62           HG       SER  62 -14.002   6.595  -6.173

  No H/Q in entry =           5
  In of MODEL   17
    1    H    PHE  63           H        PHE  63 -14.026   5.799  -1.672
    2    HA   PHE  63           HA       PHE  63 -12.659   7.549   0.109
    3    HB2  PHE  63           HB2      PHE  63 -13.184   4.723   0.899
    4    HB3  PHE  63           HB3      PHE  63 -13.486   6.209   1.792
    5    HD1  PHE  63           HD1      PHE  63 -15.530   7.558   1.278
    6    HD2  PHE  63           HD2      PHE  63 -14.853   3.715  -0.434
    7    HE1  PHE  63           HE1      PHE  63 -17.924   7.391   0.700
    8    HE2  PHE  63           HE2      PHE  63 -17.238   3.550  -1.017
    9    HZ   PHE  63           HZ       PHE  63 -18.772   5.389  -0.450

  No H/Q in entry =           9
  In of MODEL   17
    1    H    TYR  64           H        TYR  64 -10.508   7.737   0.163
    2    HA   TYR  64           HA       TYR  64  -8.847   5.503  -0.692
    3    HB2  TYR  64           HB2      TYR  64  -8.003   8.249   0.278
    4    HB3  TYR  64           HB3      TYR  64  -6.982   7.079  -0.539
    5    HD1  TYR  64           HD1      TYR  64  -7.293   6.658  -2.976
    6    HD2  TYR  64           HD2      TYR  64  -9.428   9.711  -0.920
    7    HE1  TYR  64           HE1      TYR  64  -7.806   7.741  -5.126
    8    HE2  TYR  64           HE2      TYR  64  -9.955  10.795  -3.061
    9    HH   TYR  64           HH       TYR  64  -9.018  10.890  -5.347

  No H/Q in entry =           9
  In of MODEL   17
    1    H    LEU  65           H        LEU  65  -7.480   4.380   0.637
    2    HA   LEU  65           HA       LEU  65  -7.186   5.324   3.400
    3    HB2  LEU  65           HB2      LEU  65  -8.718   3.565   3.666
    4    HB3  LEU  65           HB3      LEU  65  -7.932   2.570   2.457
    5    HG   LEU  65           HG       LEU  65  -6.350   3.152   4.902
    6   HD11  LEU  65          HD11      LEU  65  -8.675   2.794   5.719
    7   HD12  LEU  65          HD12      LEU  65  -8.660   1.222   4.922
    8   HD13  LEU  65          HD13      LEU  65  -7.533   1.557   6.237
    9   HD21  LEU  65          HD21      LEU  65  -5.529   1.724   3.086
   10   HD22  LEU  65          HD22      LEU  65  -5.729   0.822   4.589
   11   HD23  LEU  65          HD23      LEU  65  -6.923   0.664   3.301

  No H/Q in entry =          11
  In of MODEL   17
    1    H    LEU  66           H        LEU  66  -5.123   5.325   4.129
    2    HA   LEU  66           HA       LEU  66  -3.189   4.515   2.095
    3    HB2  LEU  66           HB2      LEU  66  -3.516   6.900   2.090
    4    HB3  LEU  66           HB3      LEU  66  -3.240   6.992   3.799
    5    HG   LEU  66           HG       LEU  66  -0.915   6.741   3.542
    6   HD11  LEU  66          HD11      LEU  66  -1.380   5.681   0.804
    7   HD12  LEU  66          HD12      LEU  66   0.196   6.113   1.468
    8   HD13  LEU  66          HD13      LEU  66  -0.748   4.826   2.212
    9   HD21  LEU  66          HD21      LEU  66  -1.852   8.276   1.148
   10   HD22  LEU  66          HD22      LEU  66  -1.666   8.909   2.783
   11   HD23  LEU  66          HD23      LEU  66  -0.249   8.385   1.874

  No H/Q in entry =          11
  In of MODEL   17
    1    H    TYR  67           H        TYR  67  -1.730   3.153   2.714
    2    HA   TYR  67           HA       TYR  67  -0.934   2.984   5.541
    3    HB2  TYR  67           HB2      TYR  67  -1.534   0.878   3.540
    4    HB3  TYR  67           HB3      TYR  67  -0.176   0.590   4.618
    5    HD1  TYR  67           HD1      TYR  67  -0.557   0.396   7.060
    6    HD2  TYR  67           HD2      TYR  67  -3.799   0.701   4.309
    7    HE1  TYR  67           HE1      TYR  67  -2.077  -0.550   8.748
    8    HE2  TYR  67           HE2      TYR  67  -5.310  -0.244   5.985
    9    HH   TYR  67           HH       TYR  67  -4.805  -1.927   8.151

  No H/Q in entry =           9
  In of MODEL   17
    1    H    TYR  68           H        TYR  68   1.024   3.727   5.860
    2    HA   TYR  68           HA       TYR  68   3.027   3.307   3.756
    3    HB2  TYR  68           HB2      TYR  68   3.796   5.626   3.808
    4    HB3  TYR  68           HB3      TYR  68   2.126   5.511   3.250
    5    HD1  TYR  68           HD1      TYR  68   0.999   5.259   6.221
    6    HD2  TYR  68           HD2      TYR  68   3.682   7.926   4.258
    7    HE1  TYR  68           HE1      TYR  68   0.294   7.093   7.705
    8    HE2  TYR  68           HE2      TYR  68   3.011   9.723   5.784
    9    HH   TYR  68           HH       TYR  68   1.122  10.341   7.177

  No H/Q in entry =           9
  In of MODEL   17
    1    H    THR  69           H        THR  69   5.225   3.874   4.390
    2    HA   THR  69           HA       THR  69   5.814   4.089   7.203
    3    HB   THR  69           HB       THR  69   5.475   1.628   6.931
    4    HG1  THR  69           HG1      THR  69   8.252   2.090   7.260
    5   HG21  THR  69          HG21      THR  69   7.728   1.900   4.938
    6   HG22  THR  69          HG22      THR  69   7.211   0.367   5.642
    7   HG23  THR  69          HG23      THR  69   6.098   1.293   4.631

  No H/Q in entry =           7
  In of MODEL   17
    1    H    GLU  70           H        GLU  70   7.770   5.042   7.472
    2    HA   GLU  70           HA       GLU  70   9.226   5.985   5.219
    3    HB2  GLU  70           HB2      GLU  70  10.281   5.993   8.040
    4    HB3  GLU  70           HB3      GLU  70  10.425   7.240   6.808
    5    HG2  GLU  70           HG2      GLU  70   8.104   7.774   7.021
    6    HG3  GLU  70           HG3      GLU  70   7.886   6.480   8.187

  No H/Q in entry =           6
  In of MODEL   17
    1    H    PHE  71           H        PHE  71  11.115   5.201   4.381
    2    HA   PHE  71           HA       PHE  71  12.336   2.927   5.661
    3    HB2  PHE  71           HB2      PHE  71  12.094   1.381   3.803
    4    HB3  PHE  71           HB3      PHE  71  10.507   1.903   4.344
    5    HD1  PHE  71           HD1      PHE  71  10.876   4.678   2.836
    6    HD2  PHE  71           HD2      PHE  71  11.172   0.592   1.713
    7    HE1  PHE  71           HE1      PHE  71  10.283   5.273   0.516
    8    HE2  PHE  71           HE2      PHE  71  10.573   1.171  -0.600
    9    HZ   PHE  71           HZ       PHE  71  10.147   3.525  -1.215

  No H/Q in entry =           9
  In of MODEL   17
    1    H    THR  72           H        THR  72  14.373   2.281   4.657
    2    HA   THR  72           HA       THR  72  15.483   4.295   2.827
    3    HB   THR  72           HB       THR  72  17.000   2.721   4.922
    4    HG1  THR  72           HG1      THR  72  15.479   4.443   5.656
    5   HG21  THR  72          HG21      THR  72  18.369   3.365   2.981
    6   HG22  THR  72          HG22      THR  72  17.857   5.042   3.175
    7   HG23  THR  72          HG23      THR  72  18.838   4.270   4.420

  No H/Q in entry =           7
  In of MODEL   17
    1    HA   PRO  73           HA       PRO  73  15.075   0.289   0.495
    2    HB2  PRO  73           HB2      PRO  73  15.702   1.682  -1.887
    3    HB3  PRO  73           HB3      PRO  73  14.076   1.271  -1.306
    4    HG2  PRO  73           HG2      PRO  73  15.604   3.818  -1.062
    5    HG3  PRO  73           HG3      PRO  73  13.860   3.577  -1.294
    6    HD2  PRO  73           HD2      PRO  73  14.847   4.289   1.084
    7    HD3  PRO  73           HD3      PRO  73  13.507   3.118   0.968

  No H/Q in entry =           7
  In of MODEL   17
    1    H    THR  74           H        THR  74  16.544  -1.028  -0.489
    2    HA   THR  74           HA       THR  74  19.254  -0.017  -0.935
    3    HB   THR  74           HB       THR  74  20.291  -1.877   0.214
    4    HG1  THR  74           HG1      THR  74  17.623  -2.784   0.399
    5   HG21  THR  74          HG21      THR  74  19.719   0.043   1.629
    6   HG22  THR  74          HG22      THR  74  18.155  -0.692   1.986
    7   HG23  THR  74          HG23      THR  74  19.639  -1.469   2.537

  No H/Q in entry =           7
  In of MODEL   17
    1    H    GLU  75           H        GLU  75  20.552  -1.728  -2.124
    2    HA   GLU  75           HA       GLU  75  19.275  -2.676  -4.424
    3    HB2  GLU  75           HB2      GLU  75  21.775  -2.218  -3.802
    4    HB3  GLU  75           HB3      GLU  75  21.773  -3.904  -3.332
    5    HG2  GLU  75           HG2      GLU  75  20.971  -2.979  -6.068
    6    HG3  GLU  75           HG3      GLU  75  22.627  -3.346  -5.613

  No H/Q in entry =           6
  In of MODEL   17
    1    H    LYS  76           H        LYS  76  20.045  -4.264  -1.389
    2    HA   LYS  76           HA       LYS  76  19.485  -6.869  -2.385
    3    HB2  LYS  76           HB2      LYS  76  20.275  -5.855   0.335
    4    HB3  LYS  76           HB3      LYS  76  20.034  -7.557  -0.038
    5    HG2  LYS  76           HG2      LYS  76  22.116  -5.706  -1.188
    6    HG3  LYS  76           HG3      LYS  76  22.367  -7.164  -0.208
    7    HD2  LYS  76           HD2      LYS  76  21.430  -8.530  -1.989
    8    HD3  LYS  76           HD3      LYS  76  21.111  -7.076  -2.937
    9    HE2  LYS  76           HE2      LYS  76  23.608  -6.633  -2.826
   10    HE3  LYS  76           HE3      LYS  76  23.774  -8.275  -2.199
   11    HZ1  LYS  76           HZ1      LYS  76  22.686  -9.092  -4.216
   12    HZ2  LYS  76           HZ2      LYS  76  22.592  -7.505  -4.811
   13    HZ3  LYS  76           HZ3      LYS  76  24.104  -8.231  -4.579

  No H/Q in entry =          13
  In of MODEL   17
    1    H    ASP  77           H        ASP  77  17.658  -4.470  -0.571
    2    HA   ASP  77           HA       ASP  77  15.907  -6.610   0.385
    3    HB2  ASP  77           HB2      ASP  77  15.009  -5.053   1.979
    4    HB3  ASP  77           HB3      ASP  77  16.757  -4.940   2.031

  No H/Q in entry =           4
  In of MODEL   17
    1    H    GLU  78           H        GLU  78  13.512  -5.998   0.488
    2    HA   GLU  78           HA       GLU  78  12.546  -4.715  -1.928
    3    HB2  GLU  78           HB2      GLU  78  13.301  -6.960  -2.634
    4    HB3  GLU  78           HB3      GLU  78  12.229  -7.697  -1.460
    5    HG2  GLU  78           HG2      GLU  78  11.219  -7.863  -3.613
    6    HG3  GLU  78           HG3      GLU  78  10.309  -6.643  -2.740

  No H/Q in entry =           6
  In of MODEL   17
    1    H    TYR  79           H        TYR  79  10.400  -4.148  -1.731
    2    HA   TYR  79           HA       TYR  79   9.074  -4.919   0.763
    3    HB2  TYR  79           HB2      TYR  79   8.719  -2.224  -0.560
    4    HB3  TYR  79           HB3      TYR  79   8.204  -2.718   1.043
    5    HD1  TYR  79           HD1      TYR  79  11.154  -1.839  -0.996
    6    HD2  TYR  79           HD2      TYR  79   9.655  -2.574   2.917
    7    HE1  TYR  79           HE1      TYR  79  13.221  -0.929  -0.037
    8    HE2  TYR  79           HE2      TYR  79  11.723  -1.656   3.883
    9    HH   TYR  79           HH       TYR  79  14.439  -1.406   2.527

  No H/Q in entry =           9
  In of MODEL   17
    1    H    ALA  80           H        ALA  80   6.746  -4.942   0.724
    2    HA   ALA  80           HA       ALA  80   5.566  -4.993  -1.970
    3    HB1  ALA  80           HB1      ALA  80   4.737  -7.154  -1.848
    4    HB2  ALA  80           HB2      ALA  80   6.373  -7.311  -1.202
    5    HB3  ALA  80           HB3      ALA  80   4.990  -7.252  -0.111

  No H/Q in entry =           5
  In of MODEL   17
    1    H    CYS  81           H        CYS  81   3.174  -5.091  -1.941
    2    HA   CYS  81           HA       CYS  81   2.059  -4.017   0.571
    3    HB2  CYS  81           HB2      CYS  81   1.606  -3.347  -2.289
    4    HB3  CYS  81           HB3      CYS  81   0.196  -3.328  -1.237

  No H/Q in entry =           4
  In of MODEL   17
    1    H    ARG  82           H        ARG  82   0.478  -5.165   1.528
    2    HA   ARG  82           HA       ARG  82  -0.778  -7.418   0.059
    3    HB2  ARG  82           HB2      ARG  82   0.828  -7.954   1.990
    4    HB3  ARG  82           HB3      ARG  82  -0.366  -7.203   3.033
    5    HG2  ARG  82           HG2      ARG  82  -2.042  -8.879   2.237
    6    HG3  ARG  82           HG3      ARG  82  -0.727  -9.702   1.394
    7    HD2  ARG  82           HD2      ARG  82   0.091 -10.604   3.304
    8    HD3  ARG  82           HD3      ARG  82  -0.142  -9.111   4.209
    9    HE   ARG  82           HE       ARG  82  -2.208 -11.155   3.738
   10   HH11  ARG  82          HH11      ARG  82  -0.801  -8.529   5.572
   11   HH12  ARG  82          HH12      ARG  82  -1.872  -8.732   6.940
   12   HH21  ARG  82          HH21      ARG  82  -3.587 -11.471   5.537
   13   HH22  ARG  82          HH22      ARG  82  -3.448 -10.427   6.928

  No H/Q in entry =          13
  In of MODEL   17
    1    H    VAL  83           H        VAL  83  -3.030  -7.459   0.116
    2    HA   VAL  83           HA       VAL  83  -4.323  -5.744   2.121
    3    HB   VAL  83           HB       VAL  83  -5.801  -4.674   0.696
    4   HG11  VAL  83          HG11      VAL  83  -3.213  -4.897  -0.781
    5   HG12  VAL  83          HG12      VAL  83  -4.456  -3.684  -1.091
    6   HG13  VAL  83          HG13      VAL  83  -3.645  -3.734   0.473
    7   HG21  VAL  83          HG21      VAL  83  -5.064  -6.632  -1.470
    8   HG22  VAL  83          HG22      VAL  83  -6.579  -6.583  -0.567
    9   HG23  VAL  83          HG23      VAL  83  -6.158  -5.260  -1.656

  No H/Q in entry =           9
  In of MODEL   17
    1    H    ASN  84           H        ASN  84  -6.198  -6.408   2.912
    2    HA   ASN  84           HA       ASN  84  -7.138  -9.074   2.076
    3    HB2  ASN  84           HB2      ASN  84  -7.443  -7.804   4.818
    4    HB3  ASN  84           HB3      ASN  84  -7.836  -9.451   4.380
    5   HD21  ASN  84          HD21      ASN  84  -5.258  -7.213   5.067
    6   HD22  ASN  84          HD22      ASN  84  -4.024  -8.408   5.286

  No H/Q in entry =           6
  In of MODEL   17
    1    H    HIS  85           H        HIS  85  -9.147  -9.069   1.159
    2    HA   HIS  85           HA       HIS  85 -11.211  -7.507   2.493
    3    HB2  HIS  85           HB2      HIS  85 -10.205  -6.308   0.389
    4    HB3  HIS  85           HB3      HIS  85 -11.115  -7.516  -0.509
    5    HD2  HIS  85           HD2      HIS  85 -11.907  -4.686   2.139
    6    HE1  HIS  85           HE1      HIS  85 -15.232  -5.317  -0.420
    7    HE2  HIS  85           HE2      HIS  85 -14.345  -3.989   1.546

  No H/Q in entry =           7
  In of MODEL   17
    1    H    VAL  86           H        VAL  86 -13.426  -8.311   1.755
    2    HA   VAL  86           HA       VAL  86 -13.446 -11.142   1.855
    3    HB   VAL  86           HB       VAL  86 -15.264  -9.675   2.739
    4   HG11  VAL  86          HG11      VAL  86 -15.994  -9.386  -0.171
    5   HG12  VAL  86          HG12      VAL  86 -17.002  -8.889   1.188
    6   HG13  VAL  86          HG13      VAL  86 -15.449  -8.101   0.909
    7   HG21  VAL  86          HG21      VAL  86 -16.124 -11.800   0.782
    8   HG22  VAL  86          HG22      VAL  86 -15.635 -12.057   2.457
    9   HG23  VAL  86          HG23      VAL  86 -17.110 -11.158   2.097

  No H/Q in entry =           9
  In of MODEL   17
    1    H    THR  87           H        THR  87 -13.336  -8.883  -0.746
    2    HA   THR  87           HA       THR  87 -14.564 -10.408  -2.765
    3    HB   THR  87           HB       THR  87 -13.208  -8.875  -4.266
    4    HG1  THR  87           HG1      THR  87 -12.689  -7.263  -2.050
    5   HG21  THR  87          HG21      THR  87 -15.008  -7.751  -2.138
    6   HG22  THR  87          HG22      THR  87 -14.485  -6.838  -3.553
    7   HG23  THR  87          HG23      THR  87 -15.460  -8.298  -3.751

  No H/Q in entry =           7
  In of MODEL   17
    1    H    LEU  88           H        LEU  88 -11.180  -9.856  -1.945
    2    HA   LEU  88           HA       LEU  88 -10.181 -11.452  -4.065
    3    HB2  LEU  88           HB2      LEU  88  -8.846 -10.441  -1.537
    4    HB3  LEU  88           HB3      LEU  88  -7.997 -11.198  -2.873
    5    HG   LEU  88           HG       LEU  88  -9.489  -8.573  -2.958
    6   HD11  LEU  88          HD11      LEU  88  -7.312  -8.480  -1.802
    7   HD12  LEU  88          HD12      LEU  88  -6.539  -9.168  -3.240
    8   HD13  LEU  88          HD13      LEU  88  -7.306  -7.575  -3.331
    9   HD21  LEU  88          HD21      LEU  88  -8.025 -10.058  -5.135
   10   HD22  LEU  88          HD22      LEU  88  -9.758  -9.737  -5.058
   11   HD23  LEU  88          HD23      LEU  88  -8.623  -8.402  -5.257

  No H/Q in entry =          11
  In of MODEL   17
    1    H    SER  89           H        SER  89 -10.170 -13.608  -4.124
    2    HA   SER  89           HA       SER  89 -11.160 -15.313  -2.183
    3    HB2  SER  89           HB2      SER  89  -9.971 -17.118  -3.509
    4    HB3  SER  89           HB3      SER  89 -11.007 -16.053  -4.460
    5    HG   SER  89           HG       SER  89  -8.337 -16.483  -4.661

  No H/Q in entry =           5
  In of MODEL   17
    1    H    GLN  90           H        GLN  90  -8.020 -13.993  -2.578
    2    HA   GLN  90           HA       GLN  90  -7.242 -14.846   0.052
    3    HB2  GLN  90           HB2      GLN  90  -4.937 -15.639  -0.938
    4    HB3  GLN  90           HB3      GLN  90  -6.265 -16.790  -1.083
    5    HG2  GLN  90           HG2      GLN  90  -5.349 -16.894  -3.159
    6    HG3  GLN  90           HG3      GLN  90  -6.627 -15.713  -3.406
    7   HE21  GLN  90          HE21      GLN  90  -5.654 -14.823  -5.193
    8   HE22  GLN  90          HE22      GLN  90  -4.221 -13.858  -5.091

  No H/Q in entry =           8
  In of MODEL   17
    1    HA   PRO  91           HA       PRO  91  -5.897 -10.610   0.211
    2    HB2  PRO  91           HB2      PRO  91  -3.472 -11.944   1.402
    3    HB3  PRO  91           HB3      PRO  91  -4.299 -10.462   1.918
    4    HG2  PRO  91           HG2      PRO  91  -4.779 -12.712   3.203
    5    HG3  PRO  91           HG3      PRO  91  -6.131 -11.635   2.771
    6    HD2  PRO  91           HD2      PRO  91  -5.314 -14.257   1.558
    7    HD3  PRO  91           HD3      PRO  91  -6.953 -13.555   1.744

  No H/Q in entry =           7
  In of MODEL   17
    1    H    LYS  92           H        LYS  92  -4.362  -9.212  -0.744
    2    HA   LYS  92           HA       LYS  92  -3.213 -10.532  -3.103
    3    HB2  LYS  92           HB2      LYS  92  -5.164  -9.066  -3.550
    4    HB3  LYS  92           HB3      LYS  92  -4.254  -7.711  -2.892
    5    HG2  LYS  92           HG2      LYS  92  -4.091  -7.635  -5.267
    6    HG3  LYS  92           HG3      LYS  92  -2.519  -8.123  -4.609
    7    HD2  LYS  92           HD2      LYS  92  -3.051  -9.495  -6.518
    8    HD3  LYS  92           HD3      LYS  92  -3.092 -10.464  -5.042
    9    HE2  LYS  92           HE2      LYS  92  -5.493 -10.404  -5.004
   10    HE3  LYS  92           HE3      LYS  92  -5.527  -9.281  -6.365
   11    HZ1  LYS  92           HZ1      LYS  92  -4.301 -11.963  -6.589
   12    HZ2  LYS  92           HZ2      LYS  92  -5.956 -11.714  -6.864
   13    HZ3  LYS  92           HZ3      LYS  92  -4.805 -10.925  -7.831

  No H/Q in entry =          13
  In of MODEL   17
    1    H    ILE  93           H        ILE  93  -1.097 -10.361  -3.351
    2    HA   ILE  93           HA       ILE  93   0.290  -8.159  -1.996
    3    HB   ILE  93           HB       ILE  93   1.412 -10.801  -2.919
    4   HG12  ILE  93          HG12      ILE  93   1.963 -10.860  -0.352
    5   HG13  ILE  93          HG13      ILE  93   0.644  -9.709  -0.242
    6   HG21  ILE  93          HG21      ILE  93   3.021  -8.996  -3.218
    7   HG22  ILE  93          HG22      ILE  93   2.807  -8.524  -1.530
    8   HG23  ILE  93          HG23      ILE  93   3.517 -10.089  -1.925
    9   HD11  ILE  93          HD11      ILE  93   0.461 -12.479  -1.393
   10   HD12  ILE  93          HD12      ILE  93  -0.089 -11.982   0.207
   11   HD13  ILE  93          HD13      ILE  93  -0.865 -11.330  -1.234

  No H/Q in entry =          11
  In of MODEL   17
    1    H    VAL  94           H        VAL  94   1.149  -6.656  -3.198
    2    HA   VAL  94           HA       VAL  94   2.115  -7.353  -5.882
    3    HB   VAL  94           HB       VAL  94   0.837  -4.727  -5.071
    4   HG11  VAL  94          HG11      VAL  94   2.130  -5.525  -7.679
    5   HG12  VAL  94          HG12      VAL  94   1.233  -4.033  -7.395
    6   HG13  VAL  94          HG13      VAL  94   2.743  -4.332  -6.534
    7   HG21  VAL  94          HG21      VAL  94  -0.759  -6.522  -5.542
    8   HG22  VAL  94          HG22      VAL  94  -0.820  -5.261  -6.776
    9   HG23  VAL  94          HG23      VAL  94   0.004  -6.786  -7.111

  No H/Q in entry =           9
  In of MODEL   17
    1    H    LYS  95           H        LYS  95   4.191  -6.898  -6.194
    2    HA   LYS  95           HA       LYS  95   5.635  -5.949  -3.866
    3    HB2  LYS  95           HB2      LYS  95   7.257  -7.332  -4.548
    4    HB3  LYS  95           HB3      LYS  95   6.114  -7.914  -5.742
    5    HG2  LYS  95           HG2      LYS  95   7.084  -6.656  -7.443
    6    HG3  LYS  95           HG3      LYS  95   7.923  -5.598  -6.297
    7    HD2  LYS  95           HD2      LYS  95   9.012  -7.823  -5.492
    8    HD3  LYS  95           HD3      LYS  95   8.546  -8.401  -7.089
    9    HE2  LYS  95           HE2      LYS  95  10.891  -7.310  -6.626
   10    HE3  LYS  95           HE3      LYS  95  10.049  -7.058  -8.160
   11    HZ1  LYS  95           HZ1      LYS  95   9.211  -4.945  -7.222
   12    HZ2  LYS  95           HZ2      LYS  95  10.145  -5.202  -5.830
   13    HZ3  LYS  95           HZ3      LYS  95  10.896  -4.990  -7.332

  No H/Q in entry =          13
  In of MODEL   17
    1    H    TRP  96           H        TRP  96   7.005  -4.177  -3.838
    2    HA   TRP  96           HA       TRP  96   6.048  -1.996  -5.430
    3    HB2  TRP  96           HB2      TRP  96   6.577  -1.638  -3.072
    4    HB3  TRP  96           HB3      TRP  96   8.245  -2.159  -3.325
    5    HD1  TRP  96           HD1      TRP  96   5.887   0.662  -4.559
    6    HE1  TRP  96           HE1      TRP  96   7.300   2.765  -4.912
    7    HE3  TRP  96           HE3      TRP  96  10.481  -1.276  -3.461
    8    HZ2  TRP  96           HZ2      TRP  96  10.014   3.523  -4.717
    9    HZ3  TRP  96           HZ3      TRP  96  12.440   0.197  -3.561
   10    HH2  TRP  96           HH2      TRP  96  12.206   2.564  -4.186

  No H/Q in entry =          10
  In of MODEL   17
    1    H    ASP  97           H        ASP  97   6.906  -1.233  -7.252
    2    HA   ASP  97           HA       ASP  97   9.658  -2.034  -7.923
    3    HB2  ASP  97           HB2      ASP  97   9.048  -2.114 -10.267
    4    HB3  ASP  97           HB3      ASP  97   7.963  -3.161  -9.359

  No H/Q in entry =           4
  In of MODEL   17
    1    H    ARG  98           H        ARG  98  11.007  -0.540  -8.699
    2    HA   ARG  98           HA       ARG  98   9.992   2.191  -8.983
    3    HB2  ARG  98           HB2      ARG  98  12.203   2.945  -8.471
    4    HB3  ARG  98           HB3      ARG  98  11.792   1.721  -7.297
    5    HG2  ARG  98           HG2      ARG  98  13.823   0.913  -7.730
    6    HG3  ARG  98           HG3      ARG  98  13.065   0.229  -9.168
    7    HD2  ARG  98           HD2      ARG  98  15.147   1.394  -9.727
    8    HD3  ARG  98           HD3      ARG  98  13.748   2.178 -10.469
    9    HE   ARG  98           HE       ARG  98  14.831   3.217  -7.943
   10   HH11  ARG  98          HH11      ARG  98  14.158   3.624 -11.358
   11   HH12  ARG  98          HH12      ARG  98  14.490   5.335 -11.343
   12   HH21  ARG  98          HH21      ARG  98  15.286   5.466  -7.924
   13   HH22  ARG  98          HH22      ARG  98  15.131   6.377  -9.402

  No H/Q in entry =          13
  In of MODEL   17
    1    H    ASP  99           H        ASP  99  11.697  -0.411 -10.513
    2    HA   ASP  99           HA       ASP  99  11.294   0.829 -13.130
    3    HB2  ASP  99           HB2      ASP  99  13.865   0.380 -11.843
    4    HB3  ASP  99           HB3      ASP  99  13.750  -0.408 -13.411

  No H/Q in entry =           4
  In of MODEL   17
    1    H    MET 100           H        MET 100  11.213  -1.768 -11.095
    2    HA   MET 100           HA       MET 100  11.865  -3.901 -12.866
    3    HB2  MET 100           HB2      MET 100  10.355  -3.968 -10.244
    4    HB3  MET 100           HB3      MET 100  11.084  -5.347 -11.058
    5    HG2  MET 100           HG2      MET 100  13.288  -4.448 -10.708
    6    HG3  MET 100           HG3      MET 100  12.611  -2.970 -10.024
    7    HE1  MET 100           HE1      MET 100  14.193  -3.238  -7.900
    8    HE2  MET 100           HE2      MET 100  14.269  -4.700  -6.915
    9    HE3  MET 100           HE3      MET 100  14.869  -4.721  -8.574

  No H/Q in entry =           9
  In of MODEL   18
    1    HA   ILE   2           HA       ILE   2 -22.859  -6.978  -4.685
    2    HB   ILE   2           HB       ILE   2 -23.357  -7.182  -2.157
    3   HG12  ILE   2          HG12      ILE   2 -23.471  -9.695  -1.529
    4   HG13  ILE   2          HG13      ILE   2 -22.232  -9.913  -2.758
    5   HG21  ILE   2          HG21      ILE   2 -25.008  -7.490  -3.908
    6   HG22  ILE   2          HG22      ILE   2 -24.507  -9.169  -4.103
    7   HG23  ILE   2          HG23      ILE   2 -25.259  -8.645  -2.597
    8   HD11  ILE   2          HD11      ILE   2 -22.008  -8.168  -0.317
    9   HD12  ILE   2          HD12      ILE   2 -21.266  -9.753  -0.541
   10   HD13  ILE   2          HD13      ILE   2 -20.763  -8.393  -1.545

  No H/Q in entry =          10
  In of MODEL   18
    1    H    GLN   3           H        GLN   3 -20.146  -6.723  -5.100
    2    HA   GLN   3           HA       GLN   3 -19.357  -4.764  -3.211
    3    HB2  GLN   3           HB2      GLN   3 -18.974  -7.061  -2.008
    4    HB3  GLN   3           HB3      GLN   3 -17.585  -7.200  -3.075
    5    HG2  GLN   3           HG2      GLN   3 -16.694  -6.310  -1.117
    6    HG3  GLN   3           HG3      GLN   3 -16.890  -4.909  -2.168
    7   HE21  GLN   3          HE21      GLN   3 -19.853  -4.940  -1.697
    8   HE22  GLN   3          HE22      GLN   3 -20.046  -4.256  -0.122

  No H/Q in entry =           8
  In of MODEL   18
    1    H    ARG   4           H        ARG   4 -16.906  -4.233  -3.565
    2    HA   ARG   4           HA       ARG   4 -16.260  -4.624  -6.413
    3    HB2  ARG   4           HB2      ARG   4 -16.886  -2.383  -6.344
    4    HB3  ARG   4           HB3      ARG   4 -16.201  -2.133  -4.750
    5    HG2  ARG   4           HG2      ARG   4 -14.036  -1.857  -5.553
    6    HG3  ARG   4           HG3      ARG   4 -14.378  -2.733  -7.056
    7    HD2  ARG   4           HD2      ARG   4 -14.103  -0.267  -7.342
    8    HD3  ARG   4           HD3      ARG   4 -15.649  -0.888  -7.919
    9    HE   ARG   4           HE       ARG   4 -16.469  -0.094  -5.610
   10   HH11  ARG   4          HH11      ARG   4 -13.968   1.480  -7.500
   11   HH12  ARG   4          HH12      ARG   4 -14.314   3.064  -6.870
   12   HH21  ARG   4          HH21      ARG   4 -16.941   2.007  -4.805
   13   HH22  ARG   4          HH22      ARG   4 -16.005   3.369  -5.346

  No H/Q in entry =          13
  In of MODEL   18
    1    H    THR   5           H        THR   5 -14.268  -5.259  -6.914
    2    HA   THR   5           HA       THR   5 -12.577  -6.255  -4.858
    3    HB   THR   5           HB       THR   5 -11.069  -6.943  -6.662
    4    HG1  THR   5           HG1      THR   5 -11.782  -4.885  -7.915
    5   HG21  THR   5          HG21      THR   5 -14.000  -7.452  -6.971
    6   HG22  THR   5          HG22      THR   5 -12.859  -8.127  -8.131
    7   HG23  THR   5          HG23      THR   5 -12.718  -8.539  -6.427

  No H/Q in entry =           7
  In of MODEL   18
    1    HA   PRO   6           HA       PRO   6 -10.283  -2.410  -4.451
    2    HB2  PRO   6           HB2      PRO   6  -8.697  -3.739  -2.422
    3    HB3  PRO   6           HB3      PRO   6  -9.844  -2.409  -2.235
    4    HG2  PRO   6           HG2      PRO   6 -10.255  -4.962  -1.295
    5    HG3  PRO   6           HG3      PRO   6 -11.557  -3.802  -1.654
    6    HD2  PRO   6           HD2      PRO   6 -10.597  -6.144  -3.248
    7    HD3  PRO   6           HD3      PRO   6 -12.233  -5.450  -3.095

  No H/Q in entry =           7
  In of MODEL   18
    1    H    LYS   7           H        LYS   7  -8.638  -1.900  -5.702
    2    HA   LYS   7           HA       LYS   7  -6.945  -4.091  -6.668
    3    HB2  LYS   7           HB2      LYS   7  -8.455  -2.589  -8.170
    4    HB3  LYS   7           HB3      LYS   7  -7.211  -1.370  -7.943
    5    HG2  LYS   7           HG2      LYS   7  -5.569  -2.774  -8.986
    6    HG3  LYS   7           HG3      LYS   7  -6.722  -4.110  -9.085
    7    HD2  LYS   7           HD2      LYS   7  -8.169  -2.677 -10.510
    8    HD3  LYS   7           HD3      LYS   7  -6.900  -1.451 -10.495
    9    HE2  LYS   7           HE2      LYS   7  -5.366  -2.990 -11.569
   10    HE3  LYS   7           HE3      LYS   7  -6.580  -4.271 -11.516
   11    HZ1  LYS   7           HZ1      LYS   7  -7.998  -2.887 -12.945
   12    HZ2  LYS   7           HZ2      LYS   7  -6.761  -1.730 -13.048
   13    HZ3  LYS   7           HZ3      LYS   7  -6.525  -3.278 -13.692

  No H/Q in entry =          13
  In of MODEL   18
    1    H    ILE   8           H        ILE   8  -4.654  -3.668  -7.015
    2    HA   ILE   8           HA       ILE   8  -3.687  -2.237  -4.664
    3    HB   ILE   8           HB       ILE   8  -2.027  -4.039  -6.411
    4   HG12  ILE   8          HG12      ILE   8  -3.968  -5.358  -5.840
    5   HG13  ILE   8          HG13      ILE   8  -2.631  -5.879  -4.827
    6   HG21  ILE   8          HG21      ILE   8  -1.882  -3.267  -3.499
    7   HG22  ILE   8          HG22      ILE   8  -0.795  -4.395  -4.308
    8   HG23  ILE   8          HG23      ILE   8  -0.825  -2.698  -4.791
    9   HD11  ILE   8          HD11      ILE   8  -3.523  -4.551  -2.984
   10   HD12  ILE   8          HD12      ILE   8  -4.872  -4.058  -4.007
   11   HD13  ILE   8          HD13      ILE   8  -4.677  -5.755  -3.560

  No H/Q in entry =          11
  In of MODEL   18
    1    H    GLN   9           H        GLN   9  -2.604  -0.409  -4.774
    2    HA   GLN   9           HA       GLN   9  -0.954   0.126  -7.138
    3    HB2  GLN   9           HB2      GLN   9  -2.854   2.026  -5.762
    4    HB3  GLN   9           HB3      GLN   9  -1.553   2.579  -6.827
    5    HG2  GLN   9           HG2      GLN   9  -2.542   1.530  -8.702
    6    HG3  GLN   9           HG3      GLN   9  -3.680   0.637  -7.692
    7   HE21  GLN   9          HE21      GLN   9  -2.870   3.732  -9.060
    8   HE22  GLN   9          HE22      GLN   9  -4.412   4.484  -8.768

  No H/Q in entry =           8
  In of MODEL   18
    1    H    VAL  10           H        VAL  10   1.089   0.267  -6.482
    2    HA   VAL  10           HA       VAL  10   1.681   1.629  -3.969
    3    HB   VAL  10           HB       VAL  10   1.785  -0.542  -3.108
    4   HG11  VAL  10          HG11      VAL  10   1.496  -1.675  -5.300
    5   HG12  VAL  10          HG12      VAL  10   3.239  -1.538  -5.547
    6   HG13  VAL  10          HG13      VAL  10   2.605  -2.487  -4.197
    7   HG21  VAL  10          HG21      VAL  10   4.573   0.049  -4.101
    8   HG22  VAL  10          HG22      VAL  10   3.844   0.628  -2.602
    9   HG23  VAL  10          HG23      VAL  10   4.170  -1.093  -2.819

  No H/Q in entry =           9
  In of MODEL   18
    1    H    TYR  11           H        TYR  11   3.304   2.976  -4.107
    2    HA   TYR  11           HA       TYR  11   5.431   2.729  -6.011
    3    HB2  TYR  11           HB2      TYR  11   4.867   4.869  -7.200
    4    HB3  TYR  11           HB3      TYR  11   3.767   3.543  -7.553
    5    HD1  TYR  11           HD1      TYR  11   1.455   3.669  -6.979
    6    HD2  TYR  11           HD2      TYR  11   4.124   6.748  -5.757
    7    HE1  TYR  11           HE1      TYR  11  -0.462   5.089  -6.389
    8    HE2  TYR  11           HE2      TYR  11   2.212   8.175  -5.164
    9    HH   TYR  11           HH       TYR  11  -0.194   8.387  -5.820

  No H/Q in entry =           9
  In of MODEL   18
    1    H    SER  12           H        SER  12   6.859   4.703  -5.929
    2    HA   SER  12           HA       SER  12   7.268   5.403  -3.167
    3    HB2  SER  12           HB2      SER  12   9.162   6.778  -4.612
    4    HB3  SER  12           HB3      SER  12   9.357   5.095  -4.113
    5    HG   SER  12           HG       SER  12   8.082   5.815  -6.548

  No H/Q in entry =           5
  In of MODEL   18
    1    H    ARG  13           H        ARG  13   6.829   7.293  -2.173
    2    HA   ARG  13           HA       ARG  13   5.007   9.105  -3.378
    3    HB2  ARG  13           HB2      ARG  13   5.293   8.566  -0.882
    4    HB3  ARG  13           HB3      ARG  13   6.697   9.613  -0.905
    5    HG2  ARG  13           HG2      ARG  13   3.938  10.604  -1.613
    6    HG3  ARG  13           HG3      ARG  13   4.581  10.591   0.022
    7    HD2  ARG  13           HD2      ARG  13   5.784  12.023  -2.335
    8    HD3  ARG  13           HD3      ARG  13   4.877  12.765  -1.021
    9    HE   ARG  13           HE       ARG  13   7.541  11.545  -0.785
   10   HH11  ARG  13          HH11      ARG  13   4.990  13.572   0.492
   11   HH12  ARG  13          HH12      ARG  13   6.001  14.286   1.719
   12   HH21  ARG  13          HH21      ARG  13   8.872  12.477   0.823
   13   HH22  ARG  13          HH22      ARG  13   8.217  13.663   1.907

  No H/Q in entry =          13
  In of MODEL   18
    1    H    HIS  14           H        HIS  14   8.423   9.393  -2.600
    2    HA   HIS  14           HA       HIS  14   8.615  11.488  -4.639
    3    HB2  HIS  14           HB2      HIS  14   9.913  11.290  -1.949
    4    HB3  HIS  14           HB3      HIS  14  10.828  12.044  -3.251
    5    HD2  HIS  14           HD2      HIS  14   7.532  13.228  -4.167
    6    HE1  HIS  14           HE1      HIS  14   8.662  15.810  -1.014
    7    HE2  HIS  14           HE2      HIS  14   6.966  15.390  -2.848

  No H/Q in entry =           7
  In of MODEL   18
    1    HA   PRO  15           HA       PRO  15  11.604   9.203  -6.977
    2    HB2  PRO  15           HB2      PRO  15  14.144  10.259  -6.398
    3    HB3  PRO  15           HB3      PRO  15  13.061  10.776  -7.705
    4    HG2  PRO  15           HG2      PRO  15  13.505  12.020  -5.000
    5    HG3  PRO  15           HG3      PRO  15  13.123  12.798  -6.572
    6    HD2  PRO  15           HD2      PRO  15  11.257  12.498  -4.642
    7    HD3  PRO  15           HD3      PRO  15  10.845  12.358  -6.377

  No H/Q in entry =           7
  In of MODEL   18
    1    H    ALA  16           H        ALA  16  12.364   7.232  -6.674
    2    HA   ALA  16           HA       ALA  16  13.081   6.275  -4.086
    3    HB1  ALA  16           HB1      ALA  16  11.898   4.900  -5.771
    4    HB2  ALA  16           HB2      ALA  16  13.362   4.903  -6.749
    5    HB3  ALA  16           HB3      ALA  16  13.369   4.137  -5.159

  No H/Q in entry =           5
  In of MODEL   18
    1    H    GLU  17           H        GLU  17  15.022   6.782  -3.221
    2    HA   GLU  17           HA       GLU  17  17.362   6.461  -4.958
    3    HB2  GLU  17           HB2      GLU  17  16.935   8.819  -4.221
    4    HB3  GLU  17           HB3      GLU  17  17.176   8.288  -2.557
    5    HG2  GLU  17           HG2      GLU  17  19.183   9.326  -3.549
    6    HG3  GLU  17           HG3      GLU  17  19.440   7.659  -3.032

  No H/Q in entry =           6
  In of MODEL   18
    1    H    ASN  18           H        ASN  18  18.726   4.957  -4.378
    2    HA   ASN  18           HA       ASN  18  18.120   3.360  -2.050
    3    HB2  ASN  18           HB2      ASN  18  20.289   2.927  -4.133
    4    HB3  ASN  18           HB3      ASN  18  19.901   1.831  -2.831
    5   HD21  ASN  18          HD21      ASN  18  20.003   1.000  -5.417
    6   HD22  ASN  18          HD22      ASN  18  18.423   0.526  -5.969

  No H/Q in entry =           6
  In of MODEL   18
    1    H    GLY  19           H        GLY  19  19.181   3.276  -0.206
    2    HA2  GLY  19           HA2      GLY  19  21.838   4.423   0.095
    3    HA3  GLY  19           HA3      GLY  19  20.871   3.652   1.364

  No H/Q in entry =           3
  In of MODEL   18
    1    H    LYS  20           H        LYS  20  18.556   5.308   0.477
    2    HA   LYS  20           HA       LYS  20  19.224   7.790   1.876
    3    HB2  LYS  20           HB2      LYS  20  19.491   8.022  -0.621
    4    HB3  LYS  20           HB3      LYS  20  17.778   7.687  -0.768
    5    HG2  LYS  20           HG2      LYS  20  18.207  10.056  -0.878
    6    HG3  LYS  20           HG3      LYS  20  17.245   9.668   0.531
    7    HD2  LYS  20           HD2      LYS  20  19.033  10.035   1.947
    8    HD3  LYS  20           HD3      LYS  20  20.225   9.955   0.668
    9    HE2  LYS  20           HE2      LYS  20  18.164  12.138   1.042
   10    HE3  LYS  20           HE3      LYS  20  19.879  12.265   1.438
   11    HZ1  LYS  20           HZ1      LYS  20  20.286  11.733  -0.991
   12    HZ2  LYS  20           HZ2      LYS  20  18.634  12.028  -1.241
   13    HZ3  LYS  20           HZ3      LYS  20  19.630  13.262  -0.650

  No H/Q in entry =          13
  In of MODEL   18
    1    H    SER  21           H        SER  21  17.450   8.789   2.811
    2    HA   SER  21           HA       SER  21  15.330   7.011   3.531
    3    HB2  SER  21           HB2      SER  21  15.877   9.893   4.213
    4    HB3  SER  21           HB3      SER  21  14.568   8.944   4.917
    5    HG   SER  21           HG       SER  21  17.370   8.458   5.117

  No H/Q in entry =           5
  In of MODEL   18
    1    H    ASN  22           H        ASN  22  13.233   7.065   2.959
    2    HA   ASN  22           HA       ASN  22  12.188   9.167   1.233
    3    HB2  ASN  22           HB2      ASN  22  13.368   7.421  -0.258
    4    HB3  ASN  22           HB3      ASN  22  12.177   6.263   0.323
    5   HD21  ASN  22          HD21      ASN  22  10.953   5.865  -1.383
    6   HD22  ASN  22          HD22      ASN  22  10.154   7.052  -2.345

  No H/Q in entry =           6
  In of MODEL   18
    1    H    PHE  23           H        PHE  23   9.813   8.376   0.567
    2    HA   PHE  23           HA       PHE  23   8.618   7.062   2.921
    3    HB2  PHE  23           HB2      PHE  23   7.618   9.446   1.350
    4    HB3  PHE  23           HB3      PHE  23   6.591   8.515   2.426
    5    HD1  PHE  23           HD1      PHE  23   9.996  10.067   2.622
    6    HD2  PHE  23           HD2      PHE  23   6.174   9.530   4.416
    7    HE1  PHE  23           HE1      PHE  23  10.679  11.505   4.498
    8    HE2  PHE  23           HE2      PHE  23   6.851  10.969   6.295
    9    HZ   PHE  23           HZ       PHE  23   9.107  11.949   6.341

  No H/Q in entry =           9
  In of MODEL   18
    1    H    LEU  24           H        LEU  24   7.477   5.305   2.432
    2    HA   LEU  24           HA       LEU  24   6.945   4.635  -0.360
    3    HB2  LEU  24           HB2      LEU  24   7.558   3.167   1.866
    4    HB3  LEU  24           HB3      LEU  24   5.834   2.896   1.735
    5    HG   LEU  24           HG       LEU  24   7.985   2.168  -0.274
    6   HD11  LEU  24          HD11      LEU  24   6.016   0.531   1.326
    7   HD12  LEU  24          HD12      LEU  24   7.145  -0.110   0.131
    8   HD13  LEU  24          HD13      LEU  24   7.754   0.644   1.605
    9   HD21  LEU  24          HD21      LEU  24   4.990   2.112  -0.601
   10   HD22  LEU  24          HD22      LEU  24   6.196   2.852  -1.660
   11   HD23  LEU  24          HD23      LEU  24   6.081   1.097  -1.543

  No H/Q in entry =          11
  In of MODEL   18
    1    H    ASN  25           H        ASN  25   4.852   4.235  -1.141
    2    HA   ASN  25           HA       ASN  25   2.634   5.142   0.550
    3    HB2  ASN  25           HB2      ASN  25   3.430   6.262  -2.114
    4    HB3  ASN  25           HB3      ASN  25   1.718   6.143  -1.745
    5   HD21  ASN  25          HD21      ASN  25   1.421   8.333  -1.748
    6   HD22  ASN  25          HD22      ASN  25   2.020   9.361  -0.496

  No H/Q in entry =           6
  In of MODEL   18
    1    H    CYS  26           H        CYS  26   1.015   3.706   0.546
    2    HA   CYS  26           HA       CYS  26   0.728   1.942  -1.789
    3    HB2  CYS  26           HB2      CYS  26   1.692   0.878   0.355
    4    HB3  CYS  26           HB3      CYS  26   0.066   1.075   1.018

  No H/Q in entry =           4
  In of MODEL   18
    1    H    TYR  27           H        TYR  27  -1.196   2.092  -2.704
    2    HA   TYR  27           HA       TYR  27  -3.328   3.499  -1.233
    3    HB2  TYR  27           HB2      TYR  27  -2.170   3.964  -3.934
    4    HB3  TYR  27           HB3      TYR  27  -3.910   4.120  -3.781
    5    HD1  TYR  27           HD1      TYR  27  -0.665   5.599  -2.915
    6    HD2  TYR  27           HD2      TYR  27  -4.886   5.936  -2.475
    7    HE1  TYR  27           HE1      TYR  27  -0.408   7.950  -2.255
    8    HE2  TYR  27           HE2      TYR  27  -4.636   8.282  -1.809
    9    HH   TYR  27           HH       TYR  27  -3.041   9.801  -0.960

  No H/Q in entry =           9
  In of MODEL   18
    1    H    VAL  28           H        VAL  28  -4.856   2.024  -0.851
    2    HA   VAL  28           HA       VAL  28  -5.549   0.202  -3.057
    3    HB   VAL  28           HB       VAL  28  -6.224  -0.297  -0.161
    4   HG11  VAL  28          HG11      VAL  28  -6.064  -2.082  -2.582
    5   HG12  VAL  28          HG12      VAL  28  -6.428  -2.624  -0.942
    6   HG13  VAL  28          HG13      VAL  28  -7.534  -1.534  -1.776
    7   HG21  VAL  28          HG21      VAL  28  -3.778  -1.205  -1.674
    8   HG22  VAL  28          HG22      VAL  28  -3.818  -0.171  -0.244
    9   HG23  VAL  28          HG23      VAL  28  -4.300  -1.864  -0.122

  No H/Q in entry =           9
  In of MODEL   18
    1    H    SER  29           H        SER  29  -7.466   0.555  -3.963
    2    HA   SER  29           HA       SER  29  -9.562   1.885  -2.429
    3    HB2  SER  29           HB2      SER  29  -9.922   3.481  -4.347
    4    HB3  SER  29           HB3      SER  29  -8.446   3.757  -3.420
    5    HG   SER  29           HG       SER  29  -7.478   2.311  -5.134

  No H/Q in entry =           5
  In of MODEL   18
    1    H    GLY  30           H        GLY  30 -11.597   2.083  -3.862
    2    HA2  GLY  30           HA2      GLY  30 -11.921   0.041  -5.859
    3    HA3  GLY  30           HA3      GLY  30 -13.188   1.059  -5.182

  No H/Q in entry =           3
  In of MODEL   18
    1    H    PHE  31           H        PHE  31 -14.544   0.076  -3.638
    2    HA   PHE  31           HA       PHE  31 -14.532  -2.298  -2.701
    3    HB2  PHE  31           HB2      PHE  31 -13.272  -2.592  -0.668
    4    HB3  PHE  31           HB3      PHE  31 -12.191  -2.230  -2.012
    5    HD1  PHE  31           HD1      PHE  31 -10.825  -0.307  -2.006
    6    HD2  PHE  31           HD2      PHE  31 -13.626  -0.958   1.126
    7    HE1  PHE  31           HE1      PHE  31  -9.652   1.346  -0.617
    8    HE2  PHE  31           HE2      PHE  31 -12.452   0.686   2.518
    9    HZ   PHE  31           HZ       PHE  31 -10.468   1.826   1.649

  No H/Q in entry =           9
  In of MODEL   18
    1    H    HIS  32           H        HIS  32 -15.360  -2.563  -0.319
    2    HA   HIS  32           HA       HIS  32 -16.641  -0.174   0.717
    3    HB2  HIS  32           HB2      HIS  32 -18.424  -2.580   0.144
    4    HB3  HIS  32           HB3      HIS  32 -18.902  -0.999   0.730
    5    HD2  HIS  32           HD2      HIS  32 -17.854  -2.715  -2.622
    6    HE1  HIS  32           HE1      HIS  32 -19.731   0.987  -3.444
    7    HE2  HIS  32           HE2      HIS  32 -18.957  -1.216  -4.436

  No H/Q in entry =           7
  In of MODEL   18
    1    HA   PRO  33           HA       PRO  33 -18.752  -0.314   2.460
    2    HB2  PRO  33           HB2      PRO  33 -17.851   0.255   5.218
    3    HB3  PRO  33           HB3      PRO  33 -19.477  -0.064   4.604
    4    HG2  PRO  33           HG2      PRO  33 -18.174  -1.883   6.055
    5    HG3  PRO  33           HG3      PRO  33 -19.199  -2.363   4.690
    6    HD2  PRO  33           HD2      PRO  33 -16.215  -2.140   4.835
    7    HD3  PRO  33           HD3      PRO  33 -17.218  -3.398   4.067

  No H/Q in entry =           7
  In of MODEL   18
    1    H    SER  34           H        SER  34 -16.081   0.646   4.680
    2    HA   SER  34           HA       SER  34 -15.126   2.602   2.760
    3    HB2  SER  34           HB2      SER  34 -16.170   3.261   5.526
    4    HB3  SER  34           HB3      SER  34 -15.181   4.361   4.569
    5    HG   SER  34           HG       SER  34 -17.193   3.460   3.055

  No H/Q in entry =           5
  In of MODEL   18
    1    H    ASP  35           H        ASP  35 -14.339   0.073   4.134
    2    HA   ASP  35           HA       ASP  35 -11.886   0.977   5.474
    3    HB2  ASP  35           HB2      ASP  35 -13.719  -1.116   6.662
    4    HB3  ASP  35           HB3      ASP  35 -12.197  -0.553   7.340

  No H/Q in entry =           4
  In of MODEL   18
    1    H    ILE  36           H        ILE  36 -10.147  -0.191   4.980
    2    HA   ILE  36           HA       ILE  36 -10.384  -3.022   4.341
    3    HB   ILE  36           HB       ILE  36 -10.400  -1.646   2.135
    4   HG12  ILE  36          HG12      ILE  36  -8.579  -3.899   2.854
    5   HG13  ILE  36          HG13      ILE  36 -10.029  -3.930   1.867
    6   HG21  ILE  36          HG21      ILE  36  -7.520  -1.322   2.967
    7   HG22  ILE  36          HG22      ILE  36  -8.143  -0.992   1.349
    8   HG23  ILE  36          HG23      ILE  36  -8.690  -0.025   2.717
    9   HD11  ILE  36          HD11      ILE  36  -7.360  -2.797   1.047
   10   HD12  ILE  36          HD12      ILE  36  -8.016  -4.358   0.554
   11   HD13  ILE  36          HD13      ILE  36  -8.806  -2.867   0.042

  No H/Q in entry =          11
  In of MODEL   18
    1    H    GLU  37           H        GLU  37  -8.335  -4.138   4.703
    2    HA   GLU  37           HA       GLU  37  -6.345  -2.438   6.037
    3    HB2  GLU  37           HB2      GLU  37  -6.320  -5.422   6.297
    4    HB3  GLU  37           HB3      GLU  37  -5.620  -4.196   7.350
    5    HG2  GLU  37           HG2      GLU  37  -7.346  -4.999   8.587
    6    HG3  GLU  37           HG3      GLU  37  -8.040  -3.555   7.851

  No H/Q in entry =           6
  In of MODEL   18
    1    H    VAL  38           H        VAL  38  -4.347  -2.396   5.317
    2    HA   VAL  38           HA       VAL  38  -3.470  -4.429   3.450
    3    HB   VAL  38           HB       VAL  38  -3.664  -3.164   1.642
    4   HG11  VAL  38          HG11      VAL  38  -4.193  -0.820   3.439
    5   HG12  VAL  38          HG12      VAL  38  -4.375  -0.813   1.684
    6   HG13  VAL  38          HG13      VAL  38  -5.381  -1.873   2.671
    7   HG21  VAL  38          HG21      VAL  38  -1.610  -1.404   2.967
    8   HG22  VAL  38          HG22      VAL  38  -1.320  -2.738   1.852
    9   HG23  VAL  38          HG23      VAL  38  -2.097  -1.260   1.276

  No H/Q in entry =           9
  In of MODEL   18
    1    H    ASP  39           H        ASP  39  -1.385  -4.914   3.599
    2    HA   ASP  39           HA       ASP  39   0.127  -3.508   5.692
    3    HB2  ASP  39           HB2      ASP  39   0.050  -5.330   6.993
    4    HB3  ASP  39           HB3      ASP  39  -0.962  -6.129   5.808

  No H/Q in entry =           4
  In of MODEL   18
    1    H    LEU  40           H        LEU  40   2.340  -3.363   5.410
    2    HA   LEU  40           HA       LEU  40   3.154  -3.777   2.631
    3    HB2  LEU  40           HB2      LEU  40   4.672  -2.225   4.715
    4    HB3  LEU  40           HB3      LEU  40   4.865  -2.172   2.974
    5    HG   LEU  40           HG       LEU  40   2.527  -1.089   4.538
    6   HD11  LEU  40          HD11      LEU  40   4.561   0.238   4.758
    7   HD12  LEU  40          HD12      LEU  40   4.730   0.285   3.001
    8   HD13  LEU  40          HD13      LEU  40   3.361   1.083   3.778
    9   HD21  LEU  40          HD21      LEU  40   3.063  -1.083   1.577
   10   HD22  LEU  40          HD22      LEU  40   1.745  -1.906   2.413
   11   HD23  LEU  40          HD23      LEU  40   1.806  -0.139   2.384

  No H/Q in entry =          11
  In of MODEL   18
    1    H    LEU  41           H        LEU  41   4.927  -4.930   2.091
    2    HA   LEU  41           HA       LEU  41   5.929  -6.703   4.209
    3    HB2  LEU  41           HB2      LEU  41   5.956  -7.371   1.304
    4    HB3  LEU  41           HB3      LEU  41   6.101  -8.438   2.663
    5    HG   LEU  41           HG       LEU  41   3.568  -7.017   1.878
    6   HD11  LEU  41          HD11      LEU  41   4.435  -8.731   0.269
    7   HD12  LEU  41          HD12      LEU  41   4.285  -9.925   1.558
    8   HD13  LEU  41          HD13      LEU  41   2.857  -9.087   0.951
    9   HD21  LEU  41          HD21      LEU  41   4.109  -9.183   3.912
   10   HD22  LEU  41          HD22      LEU  41   3.674  -7.510   4.263
   11   HD23  LEU  41          HD23      LEU  41   2.517  -8.572   3.460

  No H/Q in entry =          11
  In of MODEL   18
    1    H    LYS  42           H        LYS  42   7.830  -7.900   3.312
    2    HA   LYS  42           HA       LYS  42   9.811  -6.349   1.928
    3    HB2  LYS  42           HB2      LYS  42  10.003  -6.842   4.869
    4    HB3  LYS  42           HB3      LYS  42  11.473  -6.847   3.896
    5    HG2  LYS  42           HG2      LYS  42  11.096  -4.594   3.190
    6    HG3  LYS  42           HG3      LYS  42   9.492  -4.568   3.932
    7    HD2  LYS  42           HD2      LYS  42  10.491  -4.738   6.149
    8    HD3  LYS  42           HD3      LYS  42  12.098  -4.940   5.441
    9    HE2  LYS  42           HE2      LYS  42  11.698  -2.651   4.367
   10    HE3  LYS  42           HE3      LYS  42  10.356  -2.495   5.501
   11    HZ1  LYS  42           HZ1      LYS  42  11.959  -2.880   7.318
   12    HZ2  LYS  42           HZ2      LYS  42  13.219  -2.884   6.181
   13    HZ3  LYS  42           HZ3      LYS  42  12.301  -1.481   6.427

  No H/Q in entry =          13
  In of MODEL   18
    1    H    ASN  43           H        ASN  43  10.133  -7.879   0.462
    2    HA   ASN  43           HA       ASN  43  10.668  -9.827  -0.544
    3    HB2  ASN  43           HB2      ASN  43  11.955 -10.320   2.126
    4    HB3  ASN  43           HB3      ASN  43  11.992 -11.541   0.861
    5   HD21  ASN  43          HD21      ASN  43  13.129  -8.434   1.888
    6   HD22  ASN  43          HD22      ASN  43  14.351  -8.258   0.681

  No H/Q in entry =           6
  In of MODEL   18
    1    H    GLY  44           H        GLY  44   8.731  -9.860   2.250
    2    HA2  GLY  44           HA2      GLY  44   7.823 -12.593   1.899
    3    HA3  GLY  44           HA3      GLY  44   6.684 -11.341   1.408

  No H/Q in entry =           3
  In of MODEL   18
    1    H    GLU  45           H        GLU  45   8.417 -10.029   3.860
    2    HA   GLU  45           HA       GLU  45   6.801 -11.263   5.964
    3    HB2  GLU  45           HB2      GLU  45   9.363  -9.707   6.118
    4    HB3  GLU  45           HB3      GLU  45   8.595 -10.582   7.443
    5    HG2  GLU  45           HG2      GLU  45   9.602 -11.816   4.901
    6    HG3  GLU  45           HG3      GLU  45  10.484 -11.759   6.402

  No H/Q in entry =           6
  In of MODEL   18
    1    H    ARG  46           H        ARG  46   5.720 -10.030   7.439
    2    HA   ARG  46           HA       ARG  46   4.636  -7.604   6.495
    3    HB2  ARG  46           HB2      ARG  46   3.363  -9.230   7.799
    4    HB3  ARG  46           HB3      ARG  46   4.416  -8.973   9.175
    5    HG2  ARG  46           HG2      ARG  46   3.513  -6.892   9.612
    6    HG3  ARG  46           HG3      ARG  46   2.803  -6.761   7.987
    7    HD2  ARG  46           HD2      ARG  46   1.878  -8.504  10.270
    8    HD3  ARG  46           HD3      ARG  46   0.941  -7.380   9.287
    9    HE   ARG  46           HE       ARG  46   1.516  -9.050   7.410
   10   HH11  ARG  46          HH11      ARG  46   0.708  -9.834  10.728
   11   HH12  ARG  46          HH12      ARG  46   0.094 -11.411  10.337
   12   HH21  ARG  46          HH21      ARG  46   0.714 -11.089   6.887
   13   HH22  ARG  46          HH22      ARG  46   0.115 -12.143   8.142

  No H/Q in entry =          13
  In of MODEL   18
    1    H    ILE  47           H        ILE  47   5.162  -5.555   6.882
    2    HA   ILE  47           HA       ILE  47   7.329  -4.921   8.717
    3    HB   ILE  47           HB       ILE  47   5.742  -3.088   6.905
    4   HG12  ILE  47          HG12      ILE  47   8.499  -4.227   6.478
    5   HG13  ILE  47          HG13      ILE  47   7.046  -4.872   5.719
    6   HG21  ILE  47          HG21      ILE  47   6.801  -1.927   8.779
    7   HG22  ILE  47          HG22      ILE  47   8.353  -2.651   8.362
    8   HG23  ILE  47          HG23      ILE  47   7.588  -1.509   7.256
    9   HD11  ILE  47          HD11      ILE  47   8.109  -2.079   5.365
   10   HD12  ILE  47          HD12      ILE  47   8.297  -3.407   4.221
   11   HD13  ILE  47          HD13      ILE  47   6.690  -2.767   4.571

  No H/Q in entry =          11
  In of MODEL   18
    1    H    GLU  48           H        GLU  48   7.049  -3.770  10.579
    2    HA   GLU  48           HA       GLU  48   4.309  -3.733  11.552
    3    HB2  GLU  48           HB2      GLU  48   5.613  -3.342  13.791
    4    HB3  GLU  48           HB3      GLU  48   5.509  -4.932  13.088
    5    HG2  GLU  48           HG2      GLU  48   7.673  -4.947  13.446
    6    HG3  GLU  48           HG3      GLU  48   7.777  -3.963  12.008

  No H/Q in entry =           6
  In of MODEL   18
    1    H    LYS  49           H        LYS  49   7.060  -1.523  11.257
    2    HA   LYS  49           HA       LYS  49   5.945   0.697  12.454
    3    HB2  LYS  49           HB2      LYS  49   7.894   0.554  10.171
    4    HB3  LYS  49           HB3      LYS  49   7.665   1.933  11.252
    5    HG2  LYS  49           HG2      LYS  49   8.338   0.586  13.139
    6    HG3  LYS  49           HG3      LYS  49   8.501  -0.818  12.113
    7    HD2  LYS  49           HD2      LYS  49  10.110   1.690  11.678
    8    HD3  LYS  49           HD3      LYS  49  10.641   0.379  12.731
    9    HE2  LYS  49           HE2      LYS  49  10.468  -1.193  10.853
   10    HE3  LYS  49           HE3      LYS  49   9.992   0.141   9.797
   11    HZ1  LYS  49           HZ1      LYS  49  12.582  -0.049  11.247
   12    HZ2  LYS  49           HZ2      LYS  49  12.356  -0.378   9.600
   13    HZ3  LYS  49           HZ3      LYS  49  12.121   1.194  10.189

  No H/Q in entry =          13
  In of MODEL   18
    1    H    VAL  50           H        VAL  50   4.782  -0.768   9.683
    2    HA   VAL  50           HA       VAL  50   4.039   1.409   8.080
    3    HB   VAL  50           HB       VAL  50   2.567  -1.188   8.479
    4   HG11  VAL  50          HG11      VAL  50   1.225   0.653   7.459
    5   HG12  VAL  50          HG12      VAL  50   2.431   0.748   6.167
    6   HG13  VAL  50          HG13      VAL  50   1.488  -0.727   6.378
    7   HG21  VAL  50          HG21      VAL  50   4.942  -1.385   7.805
    8   HG22  VAL  50          HG22      VAL  50   3.817  -1.991   6.596
    9   HG23  VAL  50          HG23      VAL  50   4.580  -0.420   6.379

  No H/Q in entry =           9
  In of MODEL   18
    1    H    GLU  51           H        GLU  51   2.680   2.998   8.420
    2    HA   GLU  51           HA       GLU  51   0.366   2.487  10.143
    3    HB2  GLU  51           HB2      GLU  51   2.108   4.937  10.024
    4    HB3  GLU  51           HB3      GLU  51   0.492   4.948  10.728
    5    HG2  GLU  51           HG2      GLU  51   2.643   3.057  11.595
    6    HG3  GLU  51           HG3      GLU  51   2.389   4.640  12.338

  No H/Q in entry =           6
  In of MODEL   18
    1    H    HIS  52           H        HIS  52  -1.423   3.711   9.745
    2    HA   HIS  52           HA       HIS  52  -1.699   4.723   6.997
    3    HB2  HIS  52           HB2      HIS  52  -4.118   4.149   7.146
    4    HB3  HIS  52           HB3      HIS  52  -3.053   2.753   7.204
    5    HD2  HIS  52           HD2      HIS  52  -2.791   1.654   9.910
    6    HE1  HIS  52           HE1      HIS  52  -6.553   3.238  11.019
    7    HE2  HIS  52           HE2      HIS  52  -4.856   1.412  11.458

  No H/Q in entry =           7
  In of MODEL   18
    1    H    SER  53           H        SER  53  -2.397   6.737   6.709
    2    HA   SER  53           HA       SER  53  -2.878   8.342   9.097
    3    HB2  SER  53           HB2      SER  53  -1.887   8.884   6.346
    4    HB3  SER  53           HB3      SER  53  -2.753  10.192   7.159
    5    HG   SER  53           HG       SER  53  -0.356   8.888   7.920

  No H/Q in entry =           5
  In of MODEL   18
    1    H    ASP  54           H        ASP  54  -4.230  10.479   7.969
    2    HA   ASP  54           HA       ASP  54  -6.845  10.050   8.446
    3    HB2  ASP  54           HB2      ASP  54  -5.917  12.269   8.116
    4    HB3  ASP  54           HB3      ASP  54  -5.681  11.945   6.401

  No H/Q in entry =           4
  In of MODEL   18
    1    H    LEU  55           H        LEU  55  -8.367   8.890   7.646
    2    HA   LEU  55           HA       LEU  55  -8.227   7.281   5.382
    3    HB2  LEU  55           HB2      LEU  55  -9.815   7.232   7.455
    4    HB3  LEU  55           HB3      LEU  55 -10.851   8.248   6.480
    5    HG   LEU  55           HG       LEU  55 -11.452   5.828   6.477
    6   HD11  LEU  55          HD11      LEU  55 -12.185   7.269   4.658
    7   HD12  LEU  55          HD12      LEU  55 -10.684   6.951   3.789
    8   HD13  LEU  55          HD13      LEU  55 -11.830   5.642   4.079
    9   HD21  LEU  55          HD21      LEU  55  -8.870   5.549   4.958
   10   HD22  LEU  55          HD22      LEU  55  -9.222   4.895   6.557
   11   HD23  LEU  55          HD23      LEU  55 -10.093   4.293   5.148

  No H/Q in entry =          11
  In of MODEL   18
    1    H    SER  56           H        SER  56 -10.945   9.447   5.525
    2    HA   SER  56           HA       SER  56 -10.438  11.302   3.562
    3    HB2  SER  56           HB2      SER  56 -11.299   8.647   2.436
    4    HB3  SER  56           HB3      SER  56 -11.868  10.136   1.684
    5    HG   SER  56           HG       SER  56  -9.132   9.533   2.164

  No H/Q in entry =           5
  In of MODEL   18
    1    H    PHE  57           H        PHE  57 -12.296  12.483   3.008
    2    HA   PHE  57           HA       PHE  57 -14.868  11.313   3.847
    3    HB2  PHE  57           HB2      PHE  57 -14.311  13.215   5.352
    4    HB3  PHE  57           HB3      PHE  57 -14.175  14.274   3.950
    5    HD1  PHE  57           HD1      PHE  57 -16.555  12.120   5.806
    6    HD2  PHE  57           HD2      PHE  57 -16.050  15.347   3.077
    7    HE1  PHE  57           HE1      PHE  57 -18.963  12.610   5.944
    8    HE2  PHE  57           HE2      PHE  57 -18.457  15.841   3.209
    9    HZ   PHE  57           HZ       PHE  57 -19.916  14.471   4.643

  No H/Q in entry =           9
  In of MODEL   18
    1    H    SER  58           H        SER  58 -15.890  10.761   2.077
    2    HA   SER  58           HA       SER  58 -15.191  12.093  -0.418
    3    HB2  SER  58           HB2      SER  58 -16.401  10.149  -1.451
    4    HB3  SER  58           HB3      SER  58 -15.008   9.699  -0.466
    5    HG   SER  58           HG       SER  58 -17.372   8.730  -0.227

  No H/Q in entry =           5
  In of MODEL   18
    1    H    LYS  59           H        LYS  59 -16.484  13.404  -1.461
    2    HA   LYS  59           HA       LYS  59 -19.201  13.816  -0.512
    3    HB2  LYS  59           HB2      LYS  59 -17.779  15.778  -0.982
    4    HB3  LYS  59           HB3      LYS  59 -17.642  15.267  -2.660
    5    HG2  LYS  59           HG2      LYS  59 -19.268  17.015  -2.516
    6    HG3  LYS  59           HG3      LYS  59 -20.099  15.503  -2.883
    7    HD2  LYS  59           HD2      LYS  59 -21.384  16.639  -1.225
    8    HD3  LYS  59           HD3      LYS  59 -20.587  15.279  -0.434
    9    HE2  LYS  59           HE2      LYS  59 -20.421  17.208   0.990
   10    HE3  LYS  59           HE3      LYS  59 -18.820  16.838   0.350
   11    HZ1  LYS  59           HZ1      LYS  59 -19.125  18.583  -1.306
   12    HZ2  LYS  59           HZ2      LYS  59 -20.655  18.938  -0.672
   13    HZ3  LYS  59           HZ3      LYS  59 -19.269  19.202   0.265

  No H/Q in entry =          13
  In of MODEL   18
    1    H    ASP  60           H        ASP  60 -17.679  13.363  -3.747
    2    HA   ASP  60           HA       ASP  60 -20.157  12.009  -4.558
    3    HB2  ASP  60           HB2      ASP  60 -19.749  14.229  -5.603
    4    HB3  ASP  60           HB3      ASP  60 -18.248  13.604  -6.277

  No H/Q in entry =           4
  In of MODEL   18
    1    H    TRP  61           H        TRP  61 -16.751  11.700  -4.220
    2    HA   TRP  61           HA       TRP  61 -16.656   9.507  -6.156
    3    HB2  TRP  61           HB2      TRP  61 -14.407  10.872  -4.670
    4    HB3  TRP  61           HB3      TRP  61 -14.207   9.579  -5.849
    5    HD1  TRP  61           HD1      TRP  61 -14.370  13.264  -5.582
    6    HE1  TRP  61           HE1      TRP  61 -14.448  14.337  -7.917
    7    HE3  TRP  61           HE3      TRP  61 -15.341   9.080  -8.347
    8    HZ2  TRP  61           HZ2      TRP  61 -14.875  13.513 -10.587
    9    HZ3  TRP  61           HZ3      TRP  61 -15.574   9.290 -10.780
   10    HH2  TRP  61           HH2      TRP  61 -15.343  11.491 -11.892

  No H/Q in entry =          10
  In of MODEL   18
    1    H    SER  62           H        SER  62 -14.789   7.845  -5.266
    2    HA   SER  62           HA       SER  62 -16.120   6.437  -3.142
    3    HB2  SER  62           HB2      SER  62 -13.618   5.828  -4.747
    4    HB3  SER  62           HB3      SER  62 -14.310   4.717  -3.557
    5    HG   SER  62           HG       SER  62 -15.655   5.738  -5.861

  No H/Q in entry =           5
  In of MODEL   18
    1    H    PHE  63           H        PHE  63 -14.347   5.258  -1.610
    2    HA   PHE  63           HA       PHE  63 -13.170   7.464  -0.084
    3    HB2  PHE  63           HB2      PHE  63 -13.404   4.638   0.919
    4    HB3  PHE  63           HB3      PHE  63 -13.417   6.139   1.836
    5    HD1  PHE  63           HD1      PHE  63 -15.483   7.435   2.075
    6    HD2  PHE  63           HD2      PHE  63 -15.406   3.788  -0.130
    7    HE1  PHE  63           HE1      PHE  63 -17.955   7.331   2.156
    8    HE2  PHE  63           HE2      PHE  63 -17.866   3.687  -0.059
    9    HZ   PHE  63           HZ       PHE  63 -19.135   5.458   1.084

  No H/Q in entry =           9
  In of MODEL   18
    1    H    TYR  64           H        TYR  64 -11.032   7.377   0.667
    2    HA   TYR  64           HA       TYR  64  -9.305   5.478  -0.786
    3    HB2  TYR  64           HB2      TYR  64  -8.606   8.344  -0.092
    4    HB3  TYR  64           HB3      TYR  64  -7.685   7.249  -1.115
    5    HD1  TYR  64           HD1      TYR  64  -8.547   6.658  -3.380
    6    HD2  TYR  64           HD2      TYR  64 -10.431   9.603  -0.953
    7    HE1  TYR  64           HE1      TYR  64  -9.739   7.522  -5.355
    8    HE2  TYR  64           HE2      TYR  64 -11.628  10.467  -2.917
    9    HH   TYR  64           HH       TYR  64 -11.368  10.482  -5.377

  No H/Q in entry =           9
  In of MODEL   18
    1    H    LEU  65           H        LEU  65  -7.527   4.652   0.353
    2    HA   LEU  65           HA       LEU  65  -7.018   5.647   3.044
    3    HB2  LEU  65           HB2      LEU  65  -8.521   3.986   3.612
    4    HB3  LEU  65           HB3      LEU  65  -7.980   2.902   2.348
    5    HG   LEU  65           HG       LEU  65  -6.062   3.485   4.555
    6   HD11  LEU  65          HD11      LEU  65  -8.410   3.153   5.526
    7   HD12  LEU  65          HD12      LEU  65  -8.284   1.501   4.925
    8   HD13  LEU  65          HD13      LEU  65  -7.129   2.097   6.115
    9   HD21  LEU  65          HD21      LEU  65  -5.503   2.007   2.671
   10   HD22  LEU  65          HD22      LEU  65  -5.538   1.133   4.203
   11   HD23  LEU  65          HD23      LEU  65  -6.885   0.987   3.073

  No H/Q in entry =          11
  In of MODEL   18
    1    H    LEU  66           H        LEU  66  -4.955   5.651   3.611
    2    HA   LEU  66           HA       LEU  66  -3.058   4.658   1.594
    3    HB2  LEU  66           HB2      LEU  66  -3.522   7.211   2.130
    4    HB3  LEU  66           HB3      LEU  66  -2.425   6.901   3.440
    5    HG   LEU  66           HG       LEU  66  -1.765   6.510   0.538
    6   HD11  LEU  66          HD11      LEU  66  -0.982   8.700   2.457
    7   HD12  LEU  66          HD12      LEU  66  -0.333   8.491   0.832
    8   HD13  LEU  66          HD13      LEU  66  -2.041   8.864   1.057
    9   HD21  LEU  66          HD21      LEU  66  -0.039   6.341   2.988
   10   HD22  LEU  66          HD22      LEU  66  -0.490   5.013   1.924
   11   HD23  LEU  66          HD23      LEU  66   0.549   6.307   1.328

  No H/Q in entry =          11
  In of MODEL   18
    1    H    TYR  67           H        TYR  67  -1.603   3.229   2.260
    2    HA   TYR  67           HA       TYR  67  -0.865   3.126   5.111
    3    HB2  TYR  67           HB2      TYR  67  -1.425   0.951   3.175
    4    HB3  TYR  67           HB3      TYR  67  -0.102   0.712   4.307
    5    HD1  TYR  67           HD1      TYR  67  -0.539   0.565   6.723
    6    HD2  TYR  67           HD2      TYR  67  -3.717   0.896   3.906
    7    HE1  TYR  67           HE1      TYR  67  -2.122  -0.285   8.408
    8    HE2  TYR  67           HE2      TYR  67  -5.279   0.030   5.572
    9    HH   TYR  67           HH       TYR  67  -4.541  -0.244   8.869

  No H/Q in entry =           9
  In of MODEL   18
    1    H    TYR  68           H        TYR  68   1.148   3.634   5.525
    2    HA   TYR  68           HA       TYR  68   3.153   3.300   3.404
    3    HB2  TYR  68           HB2      TYR  68   3.950   5.612   3.676
    4    HB3  TYR  68           HB3      TYR  68   2.270   5.577   3.135
    5    HD1  TYR  68           HD1      TYR  68   4.492   6.260   5.999
    6    HD2  TYR  68           HD2      TYR  68   0.524   6.476   4.482
    7    HE1  TYR  68           HE1      TYR  68   3.867   7.738   7.861
    8    HE2  TYR  68           HE2      TYR  68  -0.114   7.957   6.333
    9    HH   TYR  68           HH       TYR  68   2.202   9.374   8.441

  No H/Q in entry =           9
  In of MODEL   18
    1    H    THR  69           H        THR  69   5.365   3.743   4.122
    2    HA   THR  69           HA       THR  69   5.842   3.752   6.982
    3    HB   THR  69           HB       THR  69   5.609   1.327   6.417
    4    HG1  THR  69           HG1      THR  69   7.003   2.059   8.116
    5   HG21  THR  69          HG21      THR  69   7.973   1.894   4.630
    6   HG22  THR  69          HG22      THR  69   7.550   0.275   5.188
    7   HG23  THR  69          HG23      THR  69   6.419   1.184   4.181

  No H/Q in entry =           7
  In of MODEL   18
    1    H    GLU  70           H        GLU  70   7.763   4.731   7.468
    2    HA   GLU  70           HA       GLU  70   9.215   5.984   5.346
    3    HB2  GLU  70           HB2      GLU  70  10.255   5.990   8.137
    4    HB3  GLU  70           HB3      GLU  70  10.026   7.344   7.040
    5    HG2  GLU  70           HG2      GLU  70   7.691   7.396   7.491
    6    HG3  GLU  70           HG3      GLU  70   7.803   5.922   8.446

  No H/Q in entry =           6
  In of MODEL   18
    1    H    PHE  71           H        PHE  71  11.189   5.350   4.579
    2    HA   PHE  71           HA       PHE  71  12.473   3.094   5.817
    3    HB2  PHE  71           HB2      PHE  71  12.321   1.596   3.900
    4    HB3  PHE  71           HB3      PHE  71  10.714   2.012   4.473
    5    HD1  PHE  71           HD1      PHE  71  11.149   4.889   2.991
    6    HD2  PHE  71           HD2      PHE  71  11.190   0.792   1.855
    7    HE1  PHE  71           HE1      PHE  71  10.529   5.521   0.709
    8    HE2  PHE  71           HE2      PHE  71  10.569   1.413  -0.443
    9    HZ   PHE  71           HZ       PHE  71  10.248   3.794  -1.032

  No H/Q in entry =           9
  In of MODEL   18
    1    H    THR  72           H        THR  72  14.504   2.472   4.717
    2    HA   THR  72           HA       THR  72  15.565   4.575   2.961
    3    HB   THR  72           HB       THR  72  17.142   2.879   4.914
    4    HG1  THR  72           HG1      THR  72  16.164   5.548   5.039
    5   HG21  THR  72          HG21      THR  72  18.417   3.600   2.931
    6   HG22  THR  72          HG22      THR  72  17.961   5.272   3.263
    7   HG23  THR  72          HG23      THR  72  18.983   4.394   4.401

  No H/Q in entry =           7
  In of MODEL   18
    1    HA   PRO  73           HA       PRO  73  15.096   0.721   0.436
    2    HB2  PRO  73           HB2      PRO  73  15.771   2.271  -1.855
    3    HB3  PRO  73           HB3      PRO  73  14.160   1.728  -1.363
    4    HG2  PRO  73           HG2      PRO  73  15.463   4.360  -1.023
    5    HG3  PRO  73           HG3      PRO  73  13.738   3.974  -1.135
    6    HD2  PRO  73           HD2      PRO  73  14.915   4.676   1.207
    7    HD3  PRO  73           HD3      PRO  73  13.558   3.528   1.128

  No H/Q in entry =           7
  In of MODEL   18
    1    H    THR  74           H        THR  74  16.510  -0.585  -0.528
    2    HA   THR  74           HA       THR  74  19.214   0.290  -1.075
    3    HB   THR  74           HB       THR  74  20.256  -1.555   0.026
    4    HG1  THR  74           HG1      THR  74  17.600  -2.488   0.318
    5   HG21  THR  74          HG21      THR  74  18.204  -0.399   1.914
    6   HG22  THR  74          HG22      THR  74  19.682  -1.233   2.393
    7   HG23  THR  74          HG23      THR  74  19.777   0.303   1.532

  No H/Q in entry =           7
  In of MODEL   18
    1    H    GLU  75           H        GLU  75  20.326  -1.687  -2.329
    2    HA   GLU  75           HA       GLU  75  18.483  -2.532  -4.342
    3    HB2  GLU  75           HB2      GLU  75  20.694  -1.919  -4.976
    4    HB3  GLU  75           HB3      GLU  75  21.405  -3.058  -3.858
    5    HG2  GLU  75           HG2      GLU  75  19.672  -4.062  -6.055
    6    HG3  GLU  75           HG3      GLU  75  21.317  -3.544  -6.397

  No H/Q in entry =           6
  In of MODEL   18
    1    H    LYS  76           H        LYS  76  19.999  -3.995  -1.588
    2    HA   LYS  76           HA       LYS  76  19.504  -6.628  -2.458
    3    HB2  LYS  76           HB2      LYS  76  20.452  -5.502   0.165
    4    HB3  LYS  76           HB3      LYS  76  20.362  -7.222  -0.180
    5    HG2  LYS  76           HG2      LYS  76  22.224  -7.201  -1.431
    6    HG3  LYS  76           HG3      LYS  76  21.834  -5.648  -2.168
    7    HD2  LYS  76           HD2      LYS  76  23.836  -5.444  -0.837
    8    HD3  LYS  76           HD3      LYS  76  22.530  -4.518  -0.097
    9    HE2  LYS  76           HE2      LYS  76  22.128  -6.425   1.446
   10    HE3  LYS  76           HE3      LYS  76  23.532  -7.236   0.749
   11    HZ1  LYS  76           HZ1      LYS  76  24.842  -5.232   1.408
   12    HZ2  LYS  76           HZ2      LYS  76  23.486  -4.696   2.283
   13    HZ3  LYS  76           HZ3      LYS  76  24.249  -6.153   2.701

  No H/Q in entry =          13
  In of MODEL   18
    1    H    ASP  77           H        ASP  77  17.782  -4.303  -0.469
    2    HA   ASP  77           HA       ASP  77  16.050  -6.466   0.445
    3    HB2  ASP  77           HB2      ASP  77  15.187  -5.008   2.109
    4    HB3  ASP  77           HB3      ASP  77  16.917  -4.754   2.094

  No H/Q in entry =           4
  In of MODEL   18
    1    H    GLU  78           H        GLU  78  13.630  -5.792   0.546
    2    HA   GLU  78           HA       GLU  78  12.721  -4.507  -1.873
    3    HB2  GLU  78           HB2      GLU  78  13.510  -6.727  -2.629
    4    HB3  GLU  78           HB3      GLU  78  12.410  -7.503  -1.504
    5    HG2  GLU  78           HG2      GLU  78  11.476  -7.585  -3.712
    6    HG3  GLU  78           HG3      GLU  78  10.510  -6.449  -2.781

  No H/Q in entry =           6
  In of MODEL   18
    1    H    TYR  79           H        TYR  79  10.523  -4.067  -1.789
    2    HA   TYR  79           HA       TYR  79   9.169  -4.815   0.693
    3    HB2  TYR  79           HB2      TYR  79   8.660  -2.190  -0.680
    4    HB3  TYR  79           HB3      TYR  79   8.337  -2.644   0.991
    5    HD1  TYR  79           HD1      TYR  79  10.101  -2.654   2.648
    6    HD2  TYR  79           HD2      TYR  79  10.864  -1.451  -1.357
    7    HE1  TYR  79           HE1      TYR  79  12.223  -1.647   3.358
    8    HE2  TYR  79           HE2      TYR  79  12.989  -0.449  -0.658
    9    HH   TYR  79           HH       TYR  79  14.555  -1.117   2.001

  No H/Q in entry =           9
  In of MODEL   18
    1    H    ALA  80           H        ALA  80   6.856  -4.893   0.621
    2    HA   ALA  80           HA       ALA  80   5.693  -4.995  -2.070
    3    HB1  ALA  80           HB1      ALA  80   6.567  -7.289  -1.287
    4    HB2  ALA  80           HB2      ALA  80   4.926  -7.185  -1.933
    5    HB3  ALA  80           HB3      ALA  80   5.183  -7.263  -0.197

  No H/Q in entry =           5
  In of MODEL   18
    1    H    CYS  81           H        CYS  81   3.295  -5.166  -2.020
    2    HA   CYS  81           HA       CYS  81   2.176  -4.078   0.484
    3    HB2  CYS  81           HB2      CYS  81   1.677  -3.443  -2.391
    4    HB3  CYS  81           HB3      CYS  81   0.312  -3.363  -1.285

  No H/Q in entry =           4
  In of MODEL   18
    1    H    ARG  82           H        ARG  82   0.625  -5.242   1.446
    2    HA   ARG  82           HA       ARG  82  -0.657  -7.469  -0.037
    3    HB2  ARG  82           HB2      ARG  82   0.927  -8.056   1.888
    4    HB3  ARG  82           HB3      ARG  82  -0.240  -7.268   2.939
    5    HG2  ARG  82           HG2      ARG  82  -1.970  -8.885   2.171
    6    HG3  ARG  82           HG3      ARG  82  -0.704  -9.746   1.292
    7    HD2  ARG  82           HD2      ARG  82   0.144 -10.677   3.181
    8    HD3  ARG  82           HD3      ARG  82  -0.084  -9.201   4.120
    9    HE   ARG  82           HE       ARG  82  -2.174 -11.216   3.583
   10   HH11  ARG  82          HH11      ARG  82  -0.708  -8.710   5.547
   11   HH12  ARG  82          HH12      ARG  82  -1.797  -8.957   6.889
   12   HH21  ARG  82          HH21      ARG  82  -3.600 -11.545   5.363
   13   HH22  ARG  82          HH22      ARG  82  -3.434 -10.557   6.785

  No H/Q in entry =          13
  In of MODEL   18
    1    H    VAL  83           H        VAL  83  -2.901  -7.440  -0.023
    2    HA   VAL  83           HA       VAL  83  -4.165  -5.704   1.996
    3    HB   VAL  83           HB       VAL  83  -5.587  -4.586   0.600
    4   HG11  VAL  83          HG11      VAL  83  -3.090  -4.982  -0.997
    5   HG12  VAL  83          HG12      VAL  83  -4.277  -3.707  -1.274
    6   HG13  VAL  83          HG13      VAL  83  -3.389  -3.774   0.250
    7   HG21  VAL  83          HG21      VAL  83  -5.092  -6.661  -1.518
    8   HG22  VAL  83          HG22      VAL  83  -6.574  -6.403  -0.595
    9   HG23  VAL  83          HG23      VAL  83  -6.035  -5.191  -1.758

  No H/Q in entry =           9
  In of MODEL   18
    1    H    ASN  84           H        ASN  84  -6.051  -6.317   2.804
    2    HA   ASN  84           HA       ASN  84  -7.018  -8.986   2.027
    3    HB2  ASN  84           HB2      ASN  84  -7.286  -7.566   4.709
    4    HB3  ASN  84           HB3      ASN  84  -7.985  -9.131   4.322
    5   HD21  ASN  84          HD21      ASN  84  -5.050  -7.406   5.000
    6   HD22  ASN  84          HD22      ASN  84  -4.076  -8.807   5.307

  No H/Q in entry =           6
  In of MODEL   18
    1    H    HIS  85           H        HIS  85  -8.954  -8.964   0.924
    2    HA   HIS  85           HA       HIS  85 -11.112  -7.628   2.320
    3    HB2  HIS  85           HB2      HIS  85 -10.180  -6.207   0.311
    4    HB3  HIS  85           HB3      HIS  85 -11.045  -7.388  -0.669
    5    HD2  HIS  85           HD2      HIS  85 -11.907  -4.830   2.212
    6    HE1  HIS  85           HE1      HIS  85 -15.302  -5.485  -0.240
    7    HE2  HIS  85           HE2      HIS  85 -14.363  -4.135   1.689

  No H/Q in entry =           7
  In of MODEL   18
    1    H    VAL  86           H        VAL  86 -13.232  -8.522   1.559
    2    HA   VAL  86           HA       VAL  86 -13.045 -11.344   1.494
    3    HB   VAL  86           HB       VAL  86 -15.478 -11.357   1.359
    4   HG11  VAL  86          HG11      VAL  86 -14.428  -9.228   3.219
    5   HG12  VAL  86          HG12      VAL  86 -15.976 -10.058   3.383
    6   HG13  VAL  86          HG13      VAL  86 -14.469 -10.964   3.530
    7   HG21  VAL  86          HG21      VAL  86 -15.727  -9.526  -0.272
    8   HG22  VAL  86          HG22      VAL  86 -16.777  -9.319   1.131
    9   HG23  VAL  86          HG23      VAL  86 -15.301  -8.366   0.985

  No H/Q in entry =           9
  In of MODEL   18
    1    H    THR  87           H        THR  87 -13.159  -8.958  -0.979
    2    HA   THR  87           HA       THR  87 -14.458 -10.458  -2.990
    3    HB   THR  87           HB       THR  87 -13.466  -8.747  -4.512
    4    HG1  THR  87           HG1      THR  87 -12.551  -7.082  -2.618
    5   HG21  THR  87          HG21      THR  87 -14.762  -7.753  -1.986
    6   HG22  THR  87          HG22      THR  87 -14.573  -6.784  -3.446
    7   HG23  THR  87          HG23      THR  87 -15.578  -8.239  -3.475

  No H/Q in entry =           7
  In of MODEL   18
    1    H    LEU  88           H        LEU  88 -11.082  -9.844  -2.220
    2    HA   LEU  88           HA       LEU  88 -10.028 -11.053  -4.543
    3    HB2  LEU  88           HB2      LEU  88  -8.745 -10.494  -1.866
    4    HB3  LEU  88           HB3      LEU  88  -7.862 -11.060  -3.270
    5    HG   LEU  88           HG       LEU  88  -9.297  -8.419  -2.982
    6   HD11  LEU  88          HD11      LEU  88  -7.136  -8.538  -1.839
    7   HD12  LEU  88          HD12      LEU  88  -6.373  -9.095  -3.338
    8   HD13  LEU  88          HD13      LEU  88  -7.065  -7.466  -3.252
    9   HD21  LEU  88          HD21      LEU  88  -7.879  -9.594  -5.371
   10   HD22  LEU  88          HD22      LEU  88  -9.604  -9.249  -5.237
   11   HD23  LEU  88          HD23      LEU  88  -8.437  -7.927  -5.235

  No H/Q in entry =          11
  In of MODEL   18
    1    H    SER  89           H        SER  89 -11.069 -12.285  -1.495
    2    HA   SER  89           HA       SER  89 -11.418 -14.363  -0.718
    3    HB2  SER  89           HB2      SER  89 -12.307 -14.910  -2.883
    4    HB3  SER  89           HB3      SER  89 -10.696 -15.209  -3.488
    5    HG   SER  89           HG       SER  89 -10.549 -16.948  -1.957

  No H/Q in entry =           5
  In of MODEL   18
    1    H    GLN  90           H        GLN  90  -8.437 -13.424  -2.010
    2    HA   GLN  90           HA       GLN  90  -6.979 -14.846   0.046
    3    HB2  GLN  90           HB2      GLN  90  -5.925 -14.833  -2.787
    4    HB3  GLN  90           HB3      GLN  90  -5.373 -15.797  -1.428
    5    HG2  GLN  90           HG2      GLN  90  -7.115 -17.322  -1.637
    6    HG3  GLN  90           HG3      GLN  90  -8.104 -16.193  -2.576
    7   HE21  GLN  90          HE21      GLN  90  -8.422 -17.713  -4.185
    8   HE22  GLN  90          HE22      GLN  90  -7.180 -18.149  -5.308

  No H/Q in entry =           8
  In of MODEL   18
    1    HA   PRO  91           HA       PRO  91  -5.693 -10.496   0.202
    2    HB2  PRO  91           HB2      PRO  91  -3.279 -11.856   1.367
    3    HB3  PRO  91           HB3      PRO  91  -4.102 -10.376   1.896
    4    HG2  PRO  91           HG2      PRO  91  -4.568 -12.604   3.201
    5    HG3  PRO  91           HG3      PRO  91  -5.939 -11.559   2.745
    6    HD2  PRO  91           HD2      PRO  91  -5.002 -14.134   1.496
    7    HD3  PRO  91           HD3      PRO  91  -6.678 -13.569   1.781

  No H/Q in entry =           7
  In of MODEL   18
    1    H    LYS  92           H        LYS  92  -4.143  -9.165  -0.821
    2    HA   LYS  92           HA       LYS  92  -3.024 -10.550  -3.155
    3    HB2  LYS  92           HB2      LYS  92  -4.980  -9.033  -3.553
    4    HB3  LYS  92           HB3      LYS  92  -3.966  -7.693  -3.026
    5    HG2  LYS  92           HG2      LYS  92  -3.961  -7.810  -5.430
    6    HG3  LYS  92           HG3      LYS  92  -2.366  -8.255  -4.799
    7    HD2  LYS  92           HD2      LYS  92  -3.072  -9.776  -6.583
    8    HD3  LYS  92           HD3      LYS  92  -2.900 -10.603  -5.035
    9    HE2  LYS  92           HE2      LYS  92  -5.365 -10.363  -4.722
   10    HE3  LYS  92           HE3      LYS  92  -5.457  -9.749  -6.373
   11    HZ1  LYS  92           HZ1      LYS  92  -4.297 -12.386  -5.676
   12    HZ2  LYS  92           HZ2      LYS  92  -5.919 -12.174  -6.120
   13    HZ3  LYS  92           HZ3      LYS  92  -4.682 -11.804  -7.224

  No H/Q in entry =          13
  In of MODEL   18
    1    H    ILE  93           H        ILE  93  -0.897 -10.397  -3.447
    2    HA   ILE  93           HA       ILE  93   0.520  -8.204  -2.095
    3    HB   ILE  93           HB       ILE  93   1.609 -10.872  -2.975
    4   HG12  ILE  93          HG12      ILE  93   2.162 -10.882  -0.408
    5   HG13  ILE  93          HG13      ILE  93   0.859  -9.711  -0.321
    6   HG21  ILE  93          HG21      ILE  93   3.238  -9.083  -3.315
    7   HG22  ILE  93          HG22      ILE  93   3.037  -8.592  -1.631
    8   HG23  ILE  93          HG23      ILE  93   3.729 -10.169  -2.010
    9   HD11  ILE  93          HD11      ILE  93   0.633 -12.498  -1.427
   10   HD12  ILE  93          HD12      ILE  93   0.105 -11.973   0.172
   11   HD13  ILE  93          HD13      ILE  93  -0.675 -11.328  -1.269

  No H/Q in entry =          11
  In of MODEL   18
    1    H    VAL  94           H        VAL  94   1.412  -6.729  -3.296
    2    HA   VAL  94           HA       VAL  94   2.386  -7.439  -5.974
    3    HB   VAL  94           HB       VAL  94   1.118  -4.800  -5.179
    4   HG11  VAL  94          HG11      VAL  94   3.033  -4.449  -6.655
    5   HG12  VAL  94          HG12      VAL  94   2.376  -5.618  -7.800
    6   HG13  VAL  94          HG13      VAL  94   1.519  -4.106  -7.493
    7   HG21  VAL  94          HG21      VAL  94  -0.516  -6.556  -5.623
    8   HG22  VAL  94          HG22      VAL  94  -0.544  -5.335  -6.896
    9   HG23  VAL  94          HG23      VAL  94   0.248  -6.885  -7.179

  No H/Q in entry =           9
  In of MODEL   18
    1    H    LYS  95           H        LYS  95   4.466  -6.916  -6.300
    2    HA   LYS  95           HA       LYS  95   5.884  -5.931  -3.960
    3    HB2  LYS  95           HB2      LYS  95   7.551  -7.292  -4.582
    4    HB3  LYS  95           HB3      LYS  95   6.424  -7.951  -5.751
    5    HG2  LYS  95           HG2      LYS  95   7.349  -6.714  -7.499
    6    HG3  LYS  95           HG3      LYS  95   8.187  -5.623  -6.387
    7    HD2  LYS  95           HD2      LYS  95   9.279  -7.875  -5.564
    8    HD3  LYS  95           HD3      LYS  95   8.869  -8.396  -7.196
    9    HE2  LYS  95           HE2      LYS  95  11.174  -7.197  -6.559
   10    HE3  LYS  95           HE3      LYS  95  10.425  -7.063  -8.154
   11    HZ1  LYS  95           HZ1      LYS  95   9.379  -4.982  -7.374
   12    HZ2  LYS  95           HZ2      LYS  95  10.239  -5.108  -5.913
   13    HZ3  LYS  95           HZ3      LYS  95  11.067  -4.907  -7.377

  No H/Q in entry =          13
  In of MODEL   18
    1    H    TRP  96           H        TRP  96   7.168  -4.129  -3.931
    2    HA   TRP  96           HA       TRP  96   6.121  -1.961  -5.433
    3    HB2  TRP  96           HB2      TRP  96   6.876  -1.571  -3.169
    4    HB3  TRP  96           HB3      TRP  96   8.510  -2.117  -3.555
    5    HD1  TRP  96           HD1      TRP  96   6.153   0.679  -4.942
    6    HE1  TRP  96           HE1      TRP  96   7.577   2.808  -5.234
    7    HE3  TRP  96           HE3      TRP  96  10.686  -1.121  -3.384
    8    HZ2  TRP  96           HZ2      TRP  96  10.233   3.615  -4.862
    9    HZ3  TRP  96           HZ3      TRP  96  12.615   0.396  -3.368
   10    HH2  TRP  96           HH2      TRP  96  12.388   2.740  -4.094

  No H/Q in entry =          10
  In of MODEL   18
    1    H    ASP  97           H        ASP  97   6.619  -1.329  -7.380
    2    HA   ASP  97           HA       ASP  97   9.168  -2.184  -8.532
    3    HB2  ASP  97           HB2      ASP  97   8.125  -1.866 -10.705
    4    HB3  ASP  97           HB3      ASP  97   7.100  -2.887  -9.701

  No H/Q in entry =           4
  In of MODEL   18
    1    H    ARG  98           H        ARG  98  10.728  -0.760  -8.747
    2    HA   ARG  98           HA       ARG  98  10.033   2.067  -9.104
    3    HB2  ARG  98           HB2      ARG  98  12.629   2.311  -8.898
    4    HB3  ARG  98           HB3      ARG  98  11.688   1.986  -7.465
    5    HG2  ARG  98           HG2      ARG  98  12.801   0.106  -7.042
    6    HG3  ARG  98           HG3      ARG  98  12.509  -0.498  -8.667
    7    HD2  ARG  98           HD2      ARG  98  14.484   0.911  -9.407
    8    HD3  ARG  98           HD3      ARG  98  14.857   1.182  -7.704
    9    HE   ARG  98           HE       ARG  98  14.988  -1.308  -7.529
   10   HH11  ARG  98          HH11      ARG  98  15.509   0.316 -10.587
   11   HH12  ARG  98          HH12      ARG  98  16.746  -0.798 -11.111
   12   HH21  ARG  98          HH21      ARG  98  16.598  -2.798  -8.228
   13   HH22  ARG  98          HH22      ARG  98  17.344  -2.571  -9.781

  No H/Q in entry =          13
  In of MODEL   18
    1    H    ASP  99           H        ASP  99  11.612  -0.658 -10.617
    2    HA   ASP  99           HA       ASP  99  11.429   0.737 -13.204
    3    HB2  ASP  99           HB2      ASP  99  13.666  -1.072 -12.255
    4    HB3  ASP  99           HB3      ASP  99  13.470  -0.530 -13.917

  No H/Q in entry =           4
  In of MODEL   18
    1    H    MET 100           H        MET 100  10.524  -1.779 -11.282
    2    HA   MET 100           HA       MET 100  10.629  -3.859 -13.326
    3    HB2  MET 100           HB2      MET 100   9.830  -4.123 -10.427
    4    HB3  MET 100           HB3      MET 100  10.335  -5.403 -11.525
    5    HG2  MET 100           HG2      MET 100  12.561  -4.737 -11.479
    6    HG3  MET 100           HG3      MET 100  12.162  -3.139 -10.847
    7    HE1  MET 100           HE1      MET 100  14.499  -4.945  -9.679
    8    HE2  MET 100           HE2      MET 100  14.089  -3.354  -9.036
    9    HE3  MET 100           HE3      MET 100  14.252  -4.732  -7.947

  No H/Q in entry =           9
  In of MODEL   19
    1    HA   ILE   2           HA       ILE   2 -21.762  -8.622  -4.170
    2    HB   ILE   2           HB       ILE   2 -23.268  -6.621  -4.456
    3   HG12  ILE   2          HG12      ILE   2 -25.371  -6.920  -2.826
    4   HG13  ILE   2          HG13      ILE   2 -24.115  -7.461  -1.719
    5   HG21  ILE   2          HG21      ILE   2 -24.568  -9.284  -3.922
    6   HG22  ILE   2          HG22      ILE   2 -25.293  -7.964  -4.840
    7   HG23  ILE   2          HG23      ILE   2 -23.830  -8.750  -5.433
    8   HD11  ILE   2          HD11      ILE   2 -22.944  -5.329  -2.037
    9   HD12  ILE   2          HD12      ILE   2 -24.242  -4.790  -3.101
   10   HD13  ILE   2          HD13      ILE   2 -24.574  -5.114  -1.400

  No H/Q in entry =          10
  In of MODEL   19
    1    H    GLN   3           H        GLN   3 -20.292  -7.018  -4.645
    2    HA   GLN   3           HA       GLN   3 -19.604  -4.879  -2.935
    3    HB2  GLN   3           HB2      GLN   3 -18.943  -7.148  -1.689
    4    HB3  GLN   3           HB3      GLN   3 -17.554  -7.051  -2.753
    5    HG2  GLN   3           HG2      GLN   3 -16.892  -6.074  -0.717
    6    HG3  GLN   3           HG3      GLN   3 -17.162  -4.733  -1.839
    7   HE21  GLN   3          HE21      GLN   3 -19.018  -3.432  -1.580
    8   HE22  GLN   3          HE22      GLN   3 -19.875  -3.385  -0.075

  No H/Q in entry =           8
  In of MODEL   19
    1    H    ARG   4           H        ARG   4 -17.209  -4.183  -3.491
    2    HA   ARG   4           HA       ARG   4 -16.563  -4.946  -6.260
    3    HB2  ARG   4           HB2      ARG   4 -17.349  -2.726  -6.482
    4    HB3  ARG   4           HB3      ARG   4 -16.567  -2.213  -4.993
    5    HG2  ARG   4           HG2      ARG   4 -14.505  -1.970  -5.968
    6    HG3  ARG   4           HG3      ARG   4 -14.837  -3.170  -7.224
    7    HD2  ARG   4           HD2      ARG   4 -14.693  -0.794  -8.030
    8    HD3  ARG   4           HD3      ARG   4 -16.183  -1.638  -8.451
    9    HE   ARG   4           HE       ARG   4 -17.167  -0.413  -6.476
   10   HH11  ARG   4          HH11      ARG   4 -14.410   0.872  -8.220
   11   HH12  ARG   4          HH12      ARG   4 -14.854   2.527  -7.939
   12   HH21  ARG   4          HH21      ARG   4 -17.764   1.761  -6.125
   13   HH22  ARG   4          HH22      ARG   4 -16.762   3.036  -6.749

  No H/Q in entry =          13
  In of MODEL   19
    1    H    THR   5           H        THR   5 -14.394  -5.314  -6.703
    2    HA   THR   5           HA       THR   5 -12.912  -6.112  -4.404
    3    HB   THR   5           HB       THR   5 -11.296  -7.109  -5.875
    4    HG1  THR   5           HG1      THR   5 -11.569  -4.983  -7.311
    5   HG21  THR   5          HG21      THR   5 -14.121  -7.258  -6.885
    6   HG22  THR   5          HG22      THR   5 -12.826  -8.092  -7.747
    7   HG23  THR   5          HG23      THR   5 -13.150  -8.478  -6.065

  No H/Q in entry =           7
  In of MODEL   19
    1    HA   PRO   6           HA       PRO   6 -10.593  -2.255  -4.148
    2    HB2  PRO   6           HB2      PRO   6  -9.019  -3.544  -2.074
    3    HB3  PRO   6           HB3      PRO   6 -10.125  -2.179  -1.929
    4    HG2  PRO   6           HG2      PRO   6 -10.601  -4.678  -0.886
    5    HG3  PRO   6           HG3      PRO   6 -11.874  -3.499  -1.286
    6    HD2  PRO   6           HD2      PRO   6 -10.985  -5.928  -2.766
    7    HD3  PRO   6           HD3      PRO   6 -12.595  -5.192  -2.662

  No H/Q in entry =           7
  In of MODEL   19
    1    H    LYS   7           H        LYS   7  -8.927  -1.865  -5.490
    2    HA   LYS   7           HA       LYS   7  -7.234  -4.135  -6.247
    3    HB2  LYS   7           HB2      LYS   7  -8.589  -2.935  -8.001
    4    HB3  LYS   7           HB3      LYS   7  -7.605  -1.508  -7.706
    5    HG2  LYS   7           HG2      LYS   7  -5.631  -2.640  -8.464
    6    HG3  LYS   7           HG3      LYS   7  -6.509  -4.165  -8.600
    7    HD2  LYS   7           HD2      LYS   7  -7.959  -3.130 -10.315
    8    HD3  LYS   7           HD3      LYS   7  -6.985  -1.661 -10.214
    9    HE2  LYS   7           HE2      LYS   7  -5.025  -2.862 -10.953
   10    HE3  LYS   7           HE3      LYS   7  -5.917  -4.383 -10.947
   11    HZ1  LYS   7           HZ1      LYS   7  -7.363  -3.480 -12.676
   12    HZ2  LYS   7           HZ2      LYS   7  -6.455  -2.046 -12.700
   13    HZ3  LYS   7           HZ3      LYS   7  -5.741  -3.512 -13.174

  No H/Q in entry =          13
  In of MODEL   19
    1    H    ILE   8           H        ILE   8  -4.955  -3.747  -6.630
    2    HA   ILE   8           HA       ILE   8  -3.914  -2.130  -4.435
    3    HB   ILE   8           HB       ILE   8  -2.105  -3.850  -6.042
    4   HG12  ILE   8          HG12      ILE   8  -4.113  -5.251  -5.857
    5   HG13  ILE   8          HG13      ILE   8  -2.803  -5.884  -4.874
    6   HG21  ILE   8          HG21      ILE   8  -1.289  -2.584  -4.126
    7   HG22  ILE   8          HG22      ILE   8  -2.449  -3.402  -3.079
    8   HG23  ILE   8          HG23      ILE   8  -1.150  -4.318  -3.843
    9   HD11  ILE   8          HD11      ILE   8  -5.113  -4.260  -3.848
   10   HD12  ILE   8          HD12      ILE   8  -4.960  -6.020  -3.760
   11   HD13  ILE   8          HD13      ILE   8  -3.826  -4.991  -2.884

  No H/Q in entry =          11
  In of MODEL   19
    1    H    GLN   9           H        GLN   9  -2.743  -0.374  -4.708
    2    HA   GLN   9           HA       GLN   9  -1.156  -0.079  -7.136
    3    HB2  GLN   9           HB2      GLN   9  -2.296   2.525  -6.309
    4    HB3  GLN   9           HB3      GLN   9  -2.220   1.882  -7.952
    5    HG2  GLN   9           HG2      GLN   9  -4.176   0.542  -7.583
    6    HG3  GLN   9           HG3      GLN   9  -4.300   1.093  -5.919
    7   HE21  GLN   9          HE21      GLN   9  -4.741   1.892  -9.249
    8   HE22  GLN   9          HE22      GLN   9  -5.615   3.365  -9.000

  No H/Q in entry =           8
  In of MODEL   19
    1    H    VAL  10           H        VAL  10   0.844   0.282  -6.464
    2    HA   VAL  10           HA       VAL  10   1.342   1.706  -3.961
    3    HB   VAL  10           HB       VAL  10   1.517  -0.460  -3.101
    4   HG11  VAL  10          HG11      VAL  10   1.277  -1.616  -5.271
    5   HG12  VAL  10          HG12      VAL  10   3.006  -1.387  -5.545
    6   HG13  VAL  10          HG13      VAL  10   2.448  -2.371  -4.187
    7   HG21  VAL  10          HG21      VAL  10   4.286   0.257  -4.053
    8   HG22  VAL  10          HG22      VAL  10   3.526   0.716  -2.526
    9   HG23  VAL  10          HG23      VAL  10   3.934  -0.973  -2.839

  No H/Q in entry =           9
  In of MODEL   19
    1    H    TYR  11           H        TYR  11   2.983   3.069  -4.018
    2    HA   TYR  11           HA       TYR  11   5.189   2.817  -5.812
    3    HB2  TYR  11           HB2      TYR  11   4.789   4.874  -7.101
    4    HB3  TYR  11           HB3      TYR  11   3.529   3.690  -7.399
    5    HD1  TYR  11           HD1      TYR  11   4.311   6.952  -5.933
    6    HD2  TYR  11           HD2      TYR  11   1.240   4.098  -6.665
    7    HE1  TYR  11           HE1      TYR  11   2.613   8.658  -5.428
    8    HE2  TYR  11           HE2      TYR  11  -0.464   5.794  -6.162
    9    HH   TYR  11           HH       TYR  11   0.229   9.105  -5.942

  No H/Q in entry =           9
  In of MODEL   19
    1    H    SER  12           H        SER  12   6.585   4.896  -5.593
    2    HA   SER  12           HA       SER  12   6.709   5.427  -2.741
    3    HB2  SER  12           HB2      SER  12   8.761   4.790  -4.001
    4    HB3  SER  12           HB3      SER  12   8.609   6.271  -4.940
    5    HG   SER  12           HG       SER  12   9.910   6.041  -2.743

  No H/Q in entry =           5
  In of MODEL   19
    1    H    ARG  13           H        ARG  13   6.417   7.366  -1.800
    2    HA   ARG  13           HA       ARG  13   4.624   9.152  -3.085
    3    HB2  ARG  13           HB2      ARG  13   5.018   8.549  -0.561
    4    HB3  ARG  13           HB3      ARG  13   6.177   9.858  -0.602
    5    HG2  ARG  13           HG2      ARG  13   3.183  10.001  -1.024
    6    HG3  ARG  13           HG3      ARG  13   4.114  10.689   0.294
    7    HD2  ARG  13           HD2      ARG  13   4.506  12.588  -0.857
    8    HD3  ARG  13           HD3      ARG  13   4.955  11.680  -2.309
    9    HE   ARG  13           HE       ARG  13   2.118  11.775  -1.753
   10   HH11  ARG  13          HH11      ARG  13   4.839  13.232  -3.393
   11   HH12  ARG  13          HH12      ARG  13   3.867  14.161  -4.493
   12   HH21  ARG  13          HH21      ARG  13   0.807  13.007  -3.192
   13   HH22  ARG  13          HH22      ARG  13   1.570  14.040  -4.367

  No H/Q in entry =          13
  In of MODEL   19
    1    H    HIS  14           H        HIS  14   8.079   9.386  -2.317
    2    HA   HIS  14           HA       HIS  14   8.237  11.614  -4.222
    3    HB2  HIS  14           HB2      HIS  14   9.407  11.279  -1.517
    4    HB3  HIS  14           HB3      HIS  14  10.491  11.950  -2.731
    5    HD2  HIS  14           HD2      HIS  14   6.857  13.057  -3.164
    6    HE1  HIS  14           HE1      HIS  14   8.923  16.157  -1.164
    7    HE2  HIS  14           HE2      HIS  14   6.704  15.446  -2.161

  No H/Q in entry =           7
  In of MODEL   19
    1    HA   PRO  15           HA       PRO  15  11.436   9.535  -6.608
    2    HB2  PRO  15           HB2      PRO  15  13.902  10.601  -5.769
    3    HB3  PRO  15           HB3      PRO  15  12.913  11.168  -7.128
    4    HG2  PRO  15           HG2      PRO  15  13.123  12.274  -4.339
    5    HG3  PRO  15           HG3      PRO  15  12.825  13.122  -5.893
    6    HD2  PRO  15           HD2      PRO  15  10.845  12.670  -4.110
    7    HD3  PRO  15           HD3      PRO  15  10.554  12.623  -5.874

  No H/Q in entry =           7
  In of MODEL   19
    1    H    ALA  16           H        ALA  16  12.296   7.568  -6.386
    2    HA   ALA  16           HA       ALA  16  12.795   6.512  -3.751
    3    HB1  ALA  16           HB1      ALA  16  11.543   5.194  -5.392
    4    HB2  ALA  16           HB2      ALA  16  12.956   5.161  -6.448
    5    HB3  ALA  16           HB3      ALA  16  13.007   4.356  -4.879

  No H/Q in entry =           5
  In of MODEL   19
    1    H    GLU  17           H        GLU  17  14.754   6.790  -2.833
    2    HA   GLU  17           HA       GLU  17  17.111   6.681  -4.580
    3    HB2  GLU  17           HB2      GLU  17  16.549   8.875  -3.387
    4    HB3  GLU  17           HB3      GLU  17  17.005   8.050  -1.898
    5    HG2  GLU  17           HG2      GLU  17  18.928   9.212  -2.590
    6    HG3  GLU  17           HG3      GLU  17  19.204   7.529  -3.034

  No H/Q in entry =           6
  In of MODEL   19
    1    H    ASN  18           H        ASN  18  18.453   5.052  -4.244
    2    HA   ASN  18           HA       ASN  18  18.058   3.252  -2.017
    3    HB2  ASN  18           HB2      ASN  18  18.522   2.024  -3.910
    4    HB3  ASN  18           HB3      ASN  18  19.672   3.204  -4.537
    5   HD21  ASN  18          HD21      ASN  18  21.199   1.650  -4.990
    6   HD22  ASN  18          HD22      ASN  18  22.101   0.831  -3.761

  No H/Q in entry =           6
  In of MODEL   19
    1    H    GLY  19           H        GLY  19  19.144   3.171  -0.208
    2    HA2  GLY  19           HA2      GLY  19  21.769   4.386   0.085
    3    HA3  GLY  19           HA3      GLY  19  20.856   3.521   1.334

  No H/Q in entry =           3
  In of MODEL   19
    1    H    LYS  20           H        LYS  20  18.463   5.106   0.659
    2    HA   LYS  20           HA       LYS  20  19.070   7.518   2.187
    3    HB2  LYS  20           HB2      LYS  20  19.343   7.903  -0.326
    4    HB3  LYS  20           HB3      LYS  20  17.616   7.628  -0.450
    5    HG2  LYS  20           HG2      LYS  20  17.897   9.951  -0.404
    6    HG3  LYS  20           HG3      LYS  20  17.301   9.507   1.195
    7    HD2  LYS  20           HD2      LYS  20  19.599   9.599   2.064
    8    HD3  LYS  20           HD3      LYS  20  20.177  10.062   0.463
    9    HE2  LYS  20           HE2      LYS  20  18.234  11.634   2.164
   10    HE3  LYS  20           HE3      LYS  20  19.941  12.010   1.936
   11    HZ1  LYS  20           HZ1      LYS  20  17.879  11.973  -0.212
   12    HZ2  LYS  20           HZ2      LYS  20  18.534  13.361   0.509
   13    HZ3  LYS  20           HZ3      LYS  20  19.522  12.343  -0.423

  No H/Q in entry =          13
  In of MODEL   19
    1    H    SER  21           H        SER  21  17.246   8.376   3.202
    2    HA   SER  21           HA       SER  21  15.149   6.550   3.724
    3    HB2  SER  21           HB2      SER  21  15.451   9.480   4.366
    4    HB3  SER  21           HB3      SER  21  14.206   8.429   5.041
    5    HG   SER  21           HG       SER  21  16.788   7.479   5.282

  No H/Q in entry =           5
  In of MODEL   19
    1    H    ASN  22           H        ASN  22  13.121   6.479   2.968
    2    HA   ASN  22           HA       ASN  22  12.267   8.399   0.916
    3    HB2  ASN  22           HB2      ASN  22  13.491   6.247  -0.023
    4    HB3  ASN  22           HB3      ASN  22  12.039   5.407   0.496
    5   HD21  ASN  22          HD21      ASN  22  11.838   8.675  -0.754
    6   HD22  ASN  22          HD22      ASN  22  11.104   8.233  -2.254

  No H/Q in entry =           6
  In of MODEL   19
    1    H    PHE  23           H        PHE  23   9.854   7.894   0.369
    2    HA   PHE  23           HA       PHE  23   8.528   6.894   2.806
    3    HB2  PHE  23           HB2      PHE  23   7.785   9.288   1.114
    4    HB3  PHE  23           HB3      PHE  23   6.727   8.588   2.328
    5    HD1  PHE  23           HD1      PHE  23   6.601   9.768   4.262
    6    HD2  PHE  23           HD2      PHE  23  10.299   9.700   2.159
    7    HE1  PHE  23           HE1      PHE  23   7.597  11.237   5.968
    8    HE2  PHE  23           HE2      PHE  23  11.303  11.155   3.867
    9    HZ   PHE  23           HZ       PHE  23   9.952  11.915   5.778

  No H/Q in entry =           9
  In of MODEL   19
    1    H    LEU  24           H        LEU  24   7.175   5.246   2.433
    2    HA   LEU  24           HA       LEU  24   6.604   4.470  -0.312
    3    HB2  LEU  24           HB2      LEU  24   7.023   3.112   2.070
    4    HB3  LEU  24           HB3      LEU  24   5.311   2.907   1.774
    5    HG   LEU  24           HG       LEU  24   7.596   2.033  -0.022
    6   HD11  LEU  24          HD11      LEU  24   5.483   0.496   1.489
    7   HD12  LEU  24          HD12      LEU  24   6.689  -0.207   0.411
    8   HD13  LEU  24          HD13      LEU  24   7.195   0.592   1.899
    9   HD21  LEU  24          HD21      LEU  24   4.621   1.913  -0.526
   10   HD22  LEU  24          HD22      LEU  24   5.827   2.792  -1.469
   11   HD23  LEU  24          HD23      LEU  24   5.838   1.030  -1.449

  No H/Q in entry =          11
  In of MODEL   19
    1    H    ASN  25           H        ASN  25   4.472   4.011  -1.024
    2    HA   ASN  25           HA       ASN  25   2.303   5.086   0.582
    3    HB2  ASN  25           HB2      ASN  25   2.912   7.011  -0.714
    4    HB3  ASN  25           HB3      ASN  25   3.021   6.062  -2.192
    5   HD21  ASN  25          HD21      ASN  25   1.603   7.501  -3.188
    6   HD22  ASN  25          HD22      ASN  25  -0.093   7.464  -2.876

  No H/Q in entry =           6
  In of MODEL   19
    1    H    CYS  26           H        CYS  26   0.617   3.772   0.541
    2    HA   CYS  26           HA       CYS  26   0.286   1.933  -1.728
    3    HB2  CYS  26           HB2      CYS  26   1.327   0.960   0.456
    4    HB3  CYS  26           HB3      CYS  26  -0.320   1.074   1.080

  No H/Q in entry =           4
  In of MODEL   19
    1    H    TYR  27           H        TYR  27  -1.660   2.099  -2.592
    2    HA   TYR  27           HA       TYR  27  -3.782   3.424  -1.031
    3    HB2  TYR  27           HB2      TYR  27  -2.720   3.967  -3.741
    4    HB3  TYR  27           HB3      TYR  27  -4.470   3.962  -3.607
    5    HD1  TYR  27           HD1      TYR  27  -5.577   5.613  -2.049
    6    HD2  TYR  27           HD2      TYR  27  -1.428   5.806  -2.961
    7    HE1  TYR  27           HE1      TYR  27  -5.545   7.961  -1.353
    8    HE2  TYR  27           HE2      TYR  27  -1.385   8.154  -2.243
    9    HH   TYR  27           HH       TYR  27  -3.886   9.601  -0.496

  No H/Q in entry =           9
  In of MODEL   19
    1    H    VAL  28           H        VAL  28  -5.164   1.834  -0.519
    2    HA   VAL  28           HA       VAL  28  -6.048   0.065  -2.711
    3    HB   VAL  28           HB       VAL  28  -6.590  -0.607   0.153
    4   HG11  VAL  28          HG11      VAL  28  -6.083  -2.235  -2.324
    5   HG12  VAL  28          HG12      VAL  28  -6.476  -2.889  -0.732
    6   HG13  VAL  28          HG13      VAL  28  -7.653  -1.896  -1.593
    7   HG21  VAL  28          HG21      VAL  28  -3.969  -1.080  -1.259
    8   HG22  VAL  28          HG22      VAL  28  -4.233  -0.226   0.264
    9   HG23  VAL  28          HG23      VAL  28  -4.490  -1.973   0.175

  No H/Q in entry =           9
  In of MODEL   19
    1    H    SER  29           H        SER  29  -7.807   1.086  -3.515
    2    HA   SER  29           HA       SER  29  -9.925   1.836  -1.623
    3    HB2  SER  29           HB2      SER  29  -8.986   3.637  -3.860
    4    HB3  SER  29           HB3      SER  29 -10.224   3.992  -2.652
    5    HG   SER  29           HG       SER  29  -7.850   3.245  -1.536

  No H/Q in entry =           5
  In of MODEL   19
    1    H    GLY  30           H        GLY  30 -11.891   2.702  -3.001
    2    HA2  GLY  30           HA2      GLY  30 -12.216   1.300  -5.529
    3    HA3  GLY  30           HA3      GLY  30 -13.320   2.480  -4.839

  No H/Q in entry =           3
  In of MODEL   19
    1    H    PHE  31           H        PHE  31 -13.329   1.103  -2.225
    2    HA   PHE  31           HA       PHE  31 -14.938  -1.247  -2.969
    3    HB2  PHE  31           HB2      PHE  31 -13.941  -2.472  -1.085
    4    HB3  PHE  31           HB3      PHE  31 -12.683  -1.929  -2.215
    5    HD1  PHE  31           HD1      PHE  31 -14.165  -1.425   1.105
    6    HD2  PHE  31           HD2      PHE  31 -11.091  -0.240  -1.586
    7    HE1  PHE  31           HE1      PHE  31 -13.013  -0.264   2.936
    8    HE2  PHE  31           HE2      PHE  31  -9.941   0.933   0.243
    9    HZ   PHE  31           HZ       PHE  31 -10.911   0.928   2.505

  No H/Q in entry =           9
  In of MODEL   19
    1    H    HIS  32           H        HIS  32 -15.929  -2.129  -0.777
    2    HA   HIS  32           HA       HIS  32 -16.716  -0.045   1.104
    3    HB2  HIS  32           HB2      HIS  32 -18.860  -1.708  -0.313
    4    HB3  HIS  32           HB3      HIS  32 -19.118  -0.641   1.054
    5    HD2  HIS  32           HD2      HIS  32 -18.611   2.149   0.454
    6    HE1  HIS  32           HE1      HIS  32 -19.458   1.537  -3.644
    7    HE2  HIS  32           HE2      HIS  32 -19.352   3.246  -1.776

  No H/Q in entry =           7
  In of MODEL   19
    1    HA   PRO  33           HA       PRO  33 -19.041  -0.710   2.818
    2    HB2  PRO  33           HB2      PRO  33 -17.840  -0.803   5.515
    3    HB3  PRO  33           HB3      PRO  33 -19.525  -0.994   5.023
    4    HG2  PRO  33           HG2      PRO  33 -18.075  -3.080   5.846
    5    HG3  PRO  33           HG3      PRO  33 -19.267  -3.240   4.542
    6    HD2  PRO  33           HD2      PRO  33 -16.284  -3.016   4.370
    7    HD3  PRO  33           HD3      PRO  33 -17.389  -4.055   3.445

  No H/Q in entry =           7
  In of MODEL   19
    1    H    SER  34           H        SER  34 -16.150  -0.175   4.958
    2    HA   SER  34           HA       SER  34 -15.369   2.074   3.335
    3    HB2  SER  34           HB2      SER  34 -15.427   3.572   5.353
    4    HB3  SER  34           HB3      SER  34 -17.028   3.092   4.793
    5    HG   SER  34           HG       SER  34 -15.789   1.513   6.758

  No H/Q in entry =           5
  In of MODEL   19
    1    H    ASP  35           H        ASP  35 -14.500  -0.666   4.490
    2    HA   ASP  35           HA       ASP  35 -12.049   0.195   5.854
    3    HB2  ASP  35           HB2      ASP  35 -13.863  -2.020   6.848
    4    HB3  ASP  35           HB3      ASP  35 -12.344  -1.514   7.575

  No H/Q in entry =           4
  In of MODEL   19
    1    H    ILE  36           H        ILE  36 -10.299  -0.890   5.212
    2    HA   ILE  36           HA       ILE  36 -10.462  -3.724   4.525
    3    HB   ILE  36           HB       ILE  36 -10.509  -2.344   2.341
    4   HG12  ILE  36          HG12      ILE  36  -8.563  -4.503   3.041
    5   HG13  ILE  36          HG13      ILE  36  -9.968  -4.568   1.985
    6   HG21  ILE  36          HG21      ILE  36  -7.652  -1.862   3.179
    7   HG22  ILE  36          HG22      ILE  36  -8.327  -1.492   1.588
    8   HG23  ILE  36          HG23      ILE  36  -8.901  -0.627   3.013
    9   HD11  ILE  36          HD11      ILE  36  -7.347  -3.231   1.335
   10   HD12  ILE  36          HD12      ILE  36  -7.876  -4.808   0.748
   11   HD13  ILE  36          HD13      ILE  36  -8.743  -3.350   0.262

  No H/Q in entry =          11
  In of MODEL   19
    1    H    GLU  37           H        GLU  37  -8.375  -4.802   4.870
    2    HA   GLU  37           HA       GLU  37  -6.471  -3.083   6.270
    3    HB2  GLU  37           HB2      GLU  37  -6.673  -6.096   6.244
    4    HB3  GLU  37           HB3      GLU  37  -5.356  -5.169   6.952
    5    HG2  GLU  37           HG2      GLU  37  -6.843  -5.936   8.628
    6    HG3  GLU  37           HG3      GLU  37  -6.837  -4.172   8.519

  No H/Q in entry =           6
  In of MODEL   19
    1    H    VAL  38           H        VAL  38  -4.421  -3.024   5.685
    2    HA   VAL  38           HA       VAL  38  -3.466  -4.662   3.526
    3    HB   VAL  38           HB       VAL  38  -3.894  -3.241   1.867
    4   HG11  VAL  38          HG11      VAL  38  -4.344  -1.106   3.922
    5   HG12  VAL  38          HG12      VAL  38  -4.602  -0.893   2.189
    6   HG13  VAL  38          HG13      VAL  38  -5.555  -2.080   3.085
    7   HG21  VAL  38          HG21      VAL  38  -1.790  -1.535   3.194
    8   HG22  VAL  38          HG22      VAL  38  -1.527  -2.799   1.996
    9   HG23  VAL  38          HG23      VAL  38  -2.362  -1.311   1.538

  No H/Q in entry =           9
  In of MODEL   19
    1    H    ASP  39           H        ASP  39  -1.434  -5.109   3.771
    2    HA   ASP  39           HA       ASP  39   0.064  -3.658   5.848
    3    HB2  ASP  39           HB2      ASP  39  -0.056  -5.515   7.111
    4    HB3  ASP  39           HB3      ASP  39  -0.827  -6.408   5.812

  No H/Q in entry =           4
  In of MODEL   19
    1    H    LEU  40           H        LEU  40   2.255  -3.437   5.532
    2    HA   LEU  40           HA       LEU  40   3.043  -3.745   2.737
    3    HB2  LEU  40           HB2      LEU  40   4.497  -2.172   4.852
    4    HB3  LEU  40           HB3      LEU  40   4.677  -2.061   3.112
    5    HG   LEU  40           HG       LEU  40   2.265  -1.174   4.695
    6   HD11  LEU  40          HD11      LEU  40   4.402   0.394   3.262
    7   HD12  LEU  40          HD12      LEU  40   2.962   1.076   4.019
    8   HD13  LEU  40          HD13      LEU  40   4.185   0.279   5.010
    9   HD21  LEU  40          HD21      LEU  40   2.840  -1.077   1.743
   10   HD22  LEU  40          HD22      LEU  40   1.515  -1.916   2.554
   11   HD23  LEU  40          HD23      LEU  40   1.566  -0.150   2.537

  No H/Q in entry =          11
  In of MODEL   19
    1    H    LEU  41           H        LEU  41   4.871  -4.776   2.125
    2    HA   LEU  41           HA       LEU  41   6.002  -6.589   4.148
    3    HB2  LEU  41           HB2      LEU  41   5.897  -7.270   1.255
    4    HB3  LEU  41           HB3      LEU  41   6.010  -8.321   2.635
    5    HG   LEU  41           HG       LEU  41   3.520  -6.786   1.927
    6   HD11  LEU  41          HD11      LEU  41   4.146  -8.426   0.193
    7   HD12  LEU  41          HD12      LEU  41   4.198  -9.680   1.427
    8   HD13  LEU  41          HD13      LEU  41   2.669  -8.888   1.041
    9   HD21  LEU  41          HD21      LEU  41   3.758  -7.392   4.291
   10   HD22  LEU  41          HD22      LEU  41   2.465  -8.303   3.509
   11   HD23  LEU  41          HD23      LEU  41   4.020  -9.073   3.827

  No H/Q in entry =          11
  In of MODEL   19
    1    H    LYS  42           H        LYS  42   7.878  -7.759   3.036
    2    HA   LYS  42           HA       LYS  42   9.744  -6.085   1.597
    3    HB2  LYS  42           HB2      LYS  42  10.328  -7.057   4.391
    4    HB3  LYS  42           HB3      LYS  42  11.590  -6.622   3.252
    5    HG2  LYS  42           HG2      LYS  42  11.019  -4.376   3.294
    6    HG3  LYS  42           HG3      LYS  42   9.411  -4.692   3.966
    7    HD2  LYS  42           HD2      LYS  42  10.461  -5.443   6.066
    8    HD3  LYS  42           HD3      LYS  42  12.057  -5.150   5.370
    9    HE2  LYS  42           HE2      LYS  42  11.538  -2.767   5.201
   10    HE3  LYS  42           HE3      LYS  42   9.938  -3.065   5.883
   11    HZ1  LYS  42           HZ1      LYS  42  11.037  -3.910   7.896
   12    HZ2  LYS  42           HZ2      LYS  42  12.545  -3.496   7.241
   13    HZ3  LYS  42           HZ3      LYS  42  11.414  -2.286   7.593

  No H/Q in entry =          13
  In of MODEL   19
    1    H    ASN  43           H        ASN  43   9.917  -7.527  -0.039
    2    HA   ASN  43           HA       ASN  43  10.436  -9.404  -1.206
    3    HB2  ASN  43           HB2      ASN  43  11.685 -10.353   1.391
    4    HB3  ASN  43           HB3      ASN  43  11.882 -11.159  -0.159
    5   HD21  ASN  43          HD21      ASN  43  12.863  -8.571   1.870
    6   HD22  ASN  43          HD22      ASN  43  14.115  -7.952   0.851

  No H/Q in entry =           6
  In of MODEL   19
    1    H    GLY  44           H        GLY  44   8.536  -9.456   1.537
    2    HA2  GLY  44           HA2      GLY  44   7.596 -12.199   1.176
    3    HA3  GLY  44           HA3      GLY  44   6.433 -10.888   0.927

  No H/Q in entry =           3
  In of MODEL   19
    1    H    GLU  45           H        GLU  45   8.728 -10.030   3.215
    2    HA   GLU  45           HA       GLU  45   7.399 -11.281   5.483
    3    HB2  GLU  45           HB2      GLU  45   9.833  -9.516   5.378
    4    HB3  GLU  45           HB3      GLU  45   9.316 -10.487   6.746
    5    HG2  GLU  45           HG2      GLU  45   9.768 -12.505   5.522
    6    HG3  GLU  45           HG3      GLU  45  10.126 -11.573   4.072

  No H/Q in entry =           6
  In of MODEL   19
    1    H    ARG  46           H        ARG  46   6.226 -10.195   6.984
    2    HA   ARG  46           HA       ARG  46   4.956  -7.802   6.209
    3    HB2  ARG  46           HB2      ARG  46   3.896  -9.573   7.542
    4    HB3  ARG  46           HB3      ARG  46   4.987  -9.217   8.878
    5    HG2  ARG  46           HG2      ARG  46   3.979  -7.072   9.216
    6    HG3  ARG  46           HG3      ARG  46   3.035  -7.224   7.739
    7    HD2  ARG  46           HD2      ARG  46   1.621  -8.864   8.676
    8    HD3  ARG  46           HD3      ARG  46   2.730  -9.156  10.023
    9    HE   ARG  46           HE       ARG  46   1.691  -6.475   9.908
   10   HH11  ARG  46          HH11      ARG  46   1.168  -9.732  11.041
   11   HH12  ARG  46          HH12      ARG  46   0.120  -9.266  12.347
   12   HH21  ARG  46          HH21      ARG  46   0.307  -5.816  11.621
   13   HH22  ARG  46          HH22      ARG  46  -0.388  -7.026  12.663

  No H/Q in entry =          13
  In of MODEL   19
    1    H    ILE  47           H        ILE  47   5.030  -5.731   6.977
    2    HA   ILE  47           HA       ILE  47   7.339  -4.971   8.643
    3    HB   ILE  47           HB       ILE  47   5.608  -3.237   6.866
    4   HG12  ILE  47          HG12      ILE  47   8.466  -4.066   6.419
    5   HG13  ILE  47          HG13      ILE  47   7.100  -4.909   5.686
    6   HG21  ILE  47          HG21      ILE  47   6.550  -2.006   8.744
    7   HG22  ILE  47          HG22      ILE  47   8.161  -2.599   8.342
    8   HG23  ILE  47          HG23      ILE  47   7.317  -1.518   7.233
    9   HD11  ILE  47          HD11      ILE  47   7.790  -2.007   5.296
   10   HD12  ILE  47          HD12      ILE  47   8.102  -3.310   4.150
   11   HD13  ILE  47          HD13      ILE  47   6.444  -2.863   4.548

  No H/Q in entry =          11
  In of MODEL   19
    1    H    GLU  48           H        GLU  48   7.009  -3.808  10.525
    2    HA   GLU  48           HA       GLU  48   4.248  -3.826  11.462
    3    HB2  GLU  48           HB2      GLU  48   5.543  -3.469  13.746
    4    HB3  GLU  48           HB3      GLU  48   5.330  -5.057  13.034
    5    HG2  GLU  48           HG2      GLU  48   7.785  -3.393  12.629
    6    HG3  GLU  48           HG3      GLU  48   7.612  -4.533  13.944

  No H/Q in entry =           6
  In of MODEL   19
    1    H    LYS  49           H        LYS  49   7.075  -1.593  11.404
    2    HA   LYS  49           HA       LYS  49   5.835   0.526  12.679
    3    HB2  LYS  49           HB2      LYS  49   7.997   0.575  10.593
    4    HB3  LYS  49           HB3      LYS  49   7.600   1.899  11.691
    5    HG2  LYS  49           HG2      LYS  49   8.073   0.422  13.585
    6    HG3  LYS  49           HG3      LYS  49   8.545  -0.827  12.469
    7    HD2  LYS  49           HD2      LYS  49   9.877   1.854  12.487
    8    HD3  LYS  49           HD3      LYS  49  10.403   0.535  13.528
    9    HE2  LYS  49           HE2      LYS  49  11.780   0.460  11.605
   10    HE3  LYS  49           HE3      LYS  49  10.634  -0.873  11.463
   11    HZ1  LYS  49           HZ1      LYS  49  10.331   1.762  10.116
   12    HZ2  LYS  49           HZ2      LYS  49  10.955   0.368   9.375
   13    HZ3  LYS  49           HZ3      LYS  49   9.352   0.399   9.905

  No H/Q in entry =          13
  In of MODEL   19
    1    H    VAL  50           H        VAL  50   4.722  -0.741   9.876
    2    HA   VAL  50           HA       VAL  50   4.102   1.477   8.284
    3    HB   VAL  50           HB       VAL  50   2.433  -0.998   8.749
    4   HG11  VAL  50          HG11      VAL  50   1.214   0.902   7.700
    5   HG12  VAL  50          HG12      VAL  50   2.412   0.901   6.403
    6   HG13  VAL  50          HG13      VAL  50   1.373  -0.505   6.640
    7   HG21  VAL  50          HG21      VAL  50   4.690  -1.532   8.026
    8   HG22  VAL  50          HG22      VAL  50   3.533  -1.850   6.738
    9   HG23  VAL  50          HG23      VAL  50   4.539  -0.407   6.676

  No H/Q in entry =           9
  In of MODEL   19
    1    H    GLU  51           H        GLU  51   2.582   3.042   8.394
    2    HA   GLU  51           HA       GLU  51   0.525   2.812  10.472
    3    HB2  GLU  51           HB2      GLU  51   2.173   5.277   9.881
    4    HB3  GLU  51           HB3      GLU  51   0.752   5.245  10.919
    5    HG2  GLU  51           HG2      GLU  51   1.883   3.697  12.425
    6    HG3  GLU  51           HG3      GLU  51   3.304   3.725  11.382

  No H/Q in entry =           6
  In of MODEL   19
    1    H    HIS  52           H        HIS  52  -1.401   3.697  10.017
    2    HA   HIS  52           HA       HIS  52  -1.789   4.714   7.290
    3    HB2  HIS  52           HB2      HIS  52  -4.211   4.138   7.607
    4    HB3  HIS  52           HB3      HIS  52  -3.122   2.764   7.548
    5    HD2  HIS  52           HD2      HIS  52  -2.572   1.696  10.257
    6    HE1  HIS  52           HE1      HIS  52  -6.397   2.961  11.540
    7    HE2  HIS  52           HE2      HIS  52  -4.536   1.283  11.904

  No H/Q in entry =           7
  In of MODEL   19
    1    H    SER  53           H        SER  53  -2.363   6.741   7.010
    2    HA   SER  53           HA       SER  53  -2.620   8.480   9.298
    3    HB2  SER  53           HB2      SER  53  -1.310   9.069   7.228
    4    HB3  SER  53           HB3      SER  53  -2.839   9.192   6.359
    5    HG   SER  53           HG       SER  53  -1.708  10.894   8.262

  No H/Q in entry =           5
  In of MODEL   19
    1    H    ASP  54           H        ASP  54  -4.354  10.431   8.251
    2    HA   ASP  54           HA       ASP  54  -6.816   9.625   9.257
    3    HB2  ASP  54           HB2      ASP  54  -6.120  11.983   8.986
    4    HB3  ASP  54           HB3      ASP  54  -6.305  11.823   7.243

  No H/Q in entry =           4
  In of MODEL   19
    1    H    LEU  55           H        LEU  55  -8.526   8.631   8.483
    2    HA   LEU  55           HA       LEU  55  -8.367   6.774   6.505
    3    HB2  LEU  55           HB2      LEU  55 -10.140   7.119   8.343
    4    HB3  LEU  55           HB3      LEU  55 -10.989   8.093   7.166
    5    HG   LEU  55           HG       LEU  55 -11.821   5.750   7.398
    6   HD11  LEU  55          HD11      LEU  55 -12.297   7.014   5.386
    7   HD12  LEU  55          HD12      LEU  55 -10.773   6.482   4.674
    8   HD13  LEU  55          HD13      LEU  55 -12.046   5.308   5.014
    9   HD21  LEU  55          HD21      LEU  55  -9.153   5.078   6.183
   10   HD22  LEU  55          HD22      LEU  55  -9.766   4.579   7.760
   11   HD23  LEU  55          HD23      LEU  55 -10.521   3.967   6.286

  No H/Q in entry =          11
  In of MODEL   19
    1    H    SER  56           H        SER  56 -10.637   9.456   6.023
    2    HA   SER  56           HA       SER  56  -9.716  10.408   3.580
    3    HB2  SER  56           HB2      SER  56 -10.113   8.041   2.834
    4    HB3  SER  56           HB3      SER  56 -11.813   8.236   3.251
    5    HG   SER  56           HG       SER  56 -12.124   9.363   1.491

  No H/Q in entry =           5
  In of MODEL   19
    1    H    PHE  57           H        PHE  57 -11.837  11.164   2.245
    2    HA   PHE  57           HA       PHE  57 -14.076  11.735   3.997
    3    HB2  PHE  57           HB2      PHE  57 -14.077  14.130   3.508
    4    HB3  PHE  57           HB3      PHE  57 -12.574  13.683   4.303
    5    HD1  PHE  57           HD1      PHE  57 -10.491  13.433   2.891
    6    HD2  PHE  57           HD2      PHE  57 -14.085  15.176   1.418
    7    HE1  PHE  57           HE1      PHE  57  -9.226  14.501   1.072
    8    HE2  PHE  57           HE2      PHE  57 -12.827  16.240  -0.405
    9    HZ   PHE  57           HZ       PHE  57 -10.393  15.904  -0.579

  No H/Q in entry =           9
  In of MODEL   19
    1    H    SER  58           H        SER  58 -15.939  11.551   2.896
    2    HA   SER  58           HA       SER  58 -15.941  10.795   0.169
    3    HB2  SER  58           HB2      SER  58 -18.509  11.236   0.514
    4    HB3  SER  58           HB3      SER  58 -17.724   9.897   1.352
    5    HG   SER  58           HG       SER  58 -18.177  10.818   3.179

  No H/Q in entry =           5
  In of MODEL   19
    1    H    LYS  59           H        LYS  59 -16.599  11.932  -1.663
    2    HA   LYS  59           HA       LYS  59 -17.060  14.787  -1.421
    3    HB2  LYS  59           HB2      LYS  59 -14.517  14.302  -1.468
    4    HB3  LYS  59           HB3      LYS  59 -14.773  13.937  -3.170
    5    HG2  LYS  59           HG2      LYS  59 -14.045  16.227  -2.906
    6    HG3  LYS  59           HG3      LYS  59 -15.709  16.187  -3.500
    7    HD2  LYS  59           HD2      LYS  59 -16.498  16.509  -1.169
    8    HD3  LYS  59           HD3      LYS  59 -14.821  16.666  -0.652
    9    HE2  LYS  59           HE2      LYS  59 -15.925  18.846  -0.928
   10    HE3  LYS  59           HE3      LYS  59 -14.555  18.657  -2.018
   11    HZ1  LYS  59           HZ1      LYS  59 -17.319  18.053  -2.885
   12    HZ2  LYS  59           HZ2      LYS  59 -16.684  19.625  -2.965
   13    HZ3  LYS  59           HZ3      LYS  59 -15.953  18.373  -3.842

  No H/Q in entry =          13
  In of MODEL   19
    1    H    ASP  60           H        ASP  60 -15.957  12.629  -4.124
    2    HA   ASP  60           HA       ASP  60 -18.605  12.983  -5.325
    3    HB2  ASP  60           HB2      ASP  60 -17.087  14.614  -6.397
    4    HB3  ASP  60           HB3      ASP  60 -15.977  13.309  -6.801

  No H/Q in entry =           4
  In of MODEL   19
    1    H    TRP  61           H        TRP  61 -15.552  11.243  -5.154
    2    HA   TRP  61           HA       TRP  61 -16.783   8.924  -6.470
    3    HB2  TRP  61           HB2      TRP  61 -13.958   9.843  -6.137
    4    HB3  TRP  61           HB3      TRP  61 -14.279   8.124  -6.342
    5    HD1  TRP  61           HD1      TRP  61 -14.471  11.447  -8.231
    6    HE1  TRP  61           HE1      TRP  61 -14.746  10.941 -10.739
    7    HE3  TRP  61           HE3      TRP  61 -15.143   6.392  -7.958
    8    HZ2  TRP  61           HZ2      TRP  61 -15.192   8.690 -12.381
    9    HZ3  TRP  61           HZ3      TRP  61 -15.488   5.124 -10.031
   10    HH2  TRP  61           HH2      TRP  61 -15.513   6.268 -12.225

  No H/Q in entry =          10
  In of MODEL   19
    1    H    SER  62           H        SER  62 -14.998   7.005  -5.485
    2    HA   SER  62           HA       SER  62 -16.339   6.233  -3.100
    3    HB2  SER  62           HB2      SER  62 -14.532   4.334  -3.204
    4    HB3  SER  62           HB3      SER  62 -15.596   4.481  -4.621
    5    HG   SER  62           HG       SER  62 -13.057   5.733  -4.418

  No H/Q in entry =           5
  In of MODEL   19
    1    H    PHE  63           H        PHE  63 -14.955   5.370  -1.218
    2    HA   PHE  63           HA       PHE  63 -13.419   7.585  -0.159
    3    HB2  PHE  63           HB2      PHE  63 -13.945   4.916   1.166
    4    HB3  PHE  63           HB3      PHE  63 -13.529   6.434   1.946
    5    HD1  PHE  63           HD1      PHE  63 -16.208   4.699   0.058
    6    HD2  PHE  63           HD2      PHE  63 -15.215   7.906   2.687
    7    HE1  PHE  63           HE1      PHE  63 -18.605   5.106   0.464
    8    HE2  PHE  63           HE2      PHE  63 -17.619   8.315   3.094
    9    HZ   PHE  63           HZ       PHE  63 -19.303   6.914   1.978

  No H/Q in entry =           9
  In of MODEL   19
    1    H    TYR  64           H        TYR  64 -11.333   7.164   0.927
    2    HA   TYR  64           HA       TYR  64  -9.731   5.175  -0.544
    3    HB2  TYR  64           HB2      TYR  64  -8.636   7.863   0.282
    4    HB3  TYR  64           HB3      TYR  64  -8.024   6.765  -0.947
    5    HD1  TYR  64           HD1      TYR  64  -9.597   9.794  -0.458
    6    HD2  TYR  64           HD2      TYR  64  -9.864   6.340  -2.934
    7    HE1  TYR  64           HE1      TYR  64 -10.781  11.113  -2.158
    8    HE2  TYR  64           HE2      TYR  64 -11.058   7.659  -4.648
    9    HH   TYR  64           HH       TYR  64 -12.482   9.759  -4.678

  No H/Q in entry =           9
  In of MODEL   19
    1    H    LEU  65           H        LEU  65  -8.023   4.212   0.652
    2    HA   LEU  65           HA       LEU  65  -7.506   5.262   3.322
    3    HB2  LEU  65           HB2      LEU  65  -8.987   3.560   3.885
    4    HB3  LEU  65           HB3      LEU  65  -8.376   2.471   2.658
    5    HG   LEU  65           HG       LEU  65  -6.531   3.179   4.891
    6   HD11  LEU  65          HD11      LEU  65  -8.806   2.811   5.891
    7   HD12  LEU  65          HD12      LEU  65  -8.751   1.180   5.223
    8   HD13  LEU  65          HD13      LEU  65  -7.560   1.686   6.418
    9   HD21  LEU  65          HD21      LEU  65  -7.204   0.639   3.410
   10   HD22  LEU  65          HD22      LEU  65  -5.826   1.694   3.090
   11   HD23  LEU  65          HD23      LEU  65  -5.933   0.821   4.620

  No H/Q in entry =          11
  In of MODEL   19
    1    H    LEU  66           H        LEU  66  -5.433   5.312   3.875
    2    HA   LEU  66           HA       LEU  66  -3.536   4.417   1.810
    3    HB2  LEU  66           HB2      LEU  66  -4.106   6.954   2.471
    4    HB3  LEU  66           HB3      LEU  66  -2.887   6.632   3.663
    5    HG   LEU  66           HG       LEU  66  -2.462   6.373   0.702
    6   HD11  LEU  66          HD11      LEU  66  -1.629   8.546   2.618
    7   HD12  LEU  66          HD12      LEU  66  -1.126   8.422   0.934
    8   HD13  LEU  66          HD13      LEU  66  -2.823   8.691   1.330
    9   HD21  LEU  66          HD21      LEU  66  -0.512   6.250   2.991
   10   HD22  LEU  66          HD22      LEU  66  -0.999   4.905   1.963
   11   HD23  LEU  66          HD23      LEU  66  -0.084   6.251   1.279

  No H/Q in entry =          11
  In of MODEL   19
    1    H    TYR  67           H        TYR  67  -1.869   3.174   2.422
    2    HA   TYR  67           HA       TYR  67  -1.116   3.079   5.271
    3    HB2  TYR  67           HB2      TYR  67  -1.704   0.851   3.411
    4    HB3  TYR  67           HB3      TYR  67  -0.316   0.658   4.472
    5    HD1  TYR  67           HD1      TYR  67  -0.606   0.597   6.914
    6    HD2  TYR  67           HD2      TYR  67  -3.955   0.739   4.285
    7    HE1  TYR  67           HE1      TYR  67  -2.066  -0.193   8.732
    8    HE2  TYR  67           HE2      TYR  67  -5.399  -0.066   6.087
    9    HH   TYR  67           HH       TYR  67  -4.556  -0.020   9.290

  No H/Q in entry =           9
  In of MODEL   19
    1    H    TYR  68           H        TYR  68   0.851   3.815   5.578
    2    HA   TYR  68           HA       TYR  68   2.853   3.390   3.470
    3    HB2  TYR  68           HB2      TYR  68   3.628   5.726   3.675
    4    HB3  TYR  68           HB3      TYR  68   1.953   5.646   3.118
    5    HD1  TYR  68           HD1      TYR  68   4.162   6.591   5.895
    6    HD2  TYR  68           HD2      TYR  68   0.141   6.436   4.517
    7    HE1  TYR  68           HE1      TYR  68   3.490   8.120   7.701
    8    HE2  TYR  68           HE2      TYR  68  -0.542   7.969   6.312
    9    HH   TYR  68           HH       TYR  68   1.555   9.803   8.075

  No H/Q in entry =           9
  In of MODEL   19
    1    H    THR  69           H        THR  69   5.076   3.904   4.184
    2    HA   THR  69           HA       THR  69   5.582   4.032   7.022
    3    HB   THR  69           HB       THR  69   5.189   1.575   6.656
    4    HG1  THR  69           HG1      THR  69   6.968   2.682   8.081
    5   HG21  THR  69          HG21      THR  69   7.595   1.844   4.849
    6   HG22  THR  69          HG22      THR  69   6.993   0.309   5.478
    7   HG23  THR  69          HG23      THR  69   5.982   1.279   4.406

  No H/Q in entry =           7
  In of MODEL   19
    1    H    GLU  70           H        GLU  70   7.603   4.862   7.417
    2    HA   GLU  70           HA       GLU  70   9.121   5.800   5.177
    3    HB2  GLU  70           HB2      GLU  70  10.101   5.865   8.021
    4    HB3  GLU  70           HB3      GLU  70  10.370   7.038   6.736
    5    HG2  GLU  70           HG2      GLU  70   7.955   7.556   6.832
    6    HG3  GLU  70           HG3      GLU  70   7.868   6.565   8.284

  No H/Q in entry =           6
  In of MODEL   19
    1    H    PHE  71           H        PHE  71  11.017   5.030   4.436
    2    HA   PHE  71           HA       PHE  71  12.204   2.757   5.728
    3    HB2  PHE  71           HB2      PHE  71  11.970   1.226   3.832
    4    HB3  PHE  71           HB3      PHE  71  10.393   1.701   4.443
    5    HD1  PHE  71           HD1      PHE  71  10.429   4.468   3.044
    6    HD2  PHE  71           HD2      PHE  71  11.204   0.512   1.717
    7    HE1  PHE  71           HE1      PHE  71   9.751   5.104   0.756
    8    HE2  PHE  71           HE2      PHE  71  10.531   1.132  -0.570
    9    HZ   PHE  71           HZ       PHE  71   9.818   3.438  -1.062

  No H/Q in entry =           9
  In of MODEL   19
    1    H    THR  72           H        THR  72  14.223   2.066   4.629
    2    HA   THR  72           HA       THR  72  15.320   4.157   2.885
    3    HB   THR  72           HB       THR  72  16.874   2.396   4.798
    4    HG1  THR  72           HG1      THR  72  15.462   4.301   5.573
    5   HG21  THR  72          HG21      THR  72  18.125   3.070   2.775
    6   HG22  THR  72          HG22      THR  72  17.763   4.760   3.137
    7   HG23  THR  72          HG23      THR  72  18.771   3.817   4.237

  No H/Q in entry =           7
  In of MODEL   19
    1    HA   PRO  73           HA       PRO  73  14.996   0.398   0.179
    2    HB2  PRO  73           HB2      PRO  73  15.532   2.049  -2.040
    3    HB3  PRO  73           HB3      PRO  73  13.932   1.513  -1.499
    4    HG2  PRO  73           HG2      PRO  73  15.339   4.092  -1.034
    5    HG3  PRO  73           HG3      PRO  73  13.606   3.785  -1.255
    6    HD2  PRO  73           HD2      PRO  73  14.638   4.319   1.167
    7    HD3  PRO  73           HD3      PRO  73  13.307   3.156   0.961

  No H/Q in entry =           7
  In of MODEL   19
    1    H    THR  74           H        THR  74  16.557  -0.731  -0.850
    2    HA   THR  74           HA       THR  74  19.193   0.475  -1.226
    3    HB   THR  74           HB       THR  74  20.326  -1.434  -0.235
    4    HG1  THR  74           HG1      THR  74  17.684  -2.399   0.023
    5   HG21  THR  74          HG21      THR  74  19.788   0.433   1.268
    6   HG22  THR  74          HG22      THR  74  18.246  -0.336   1.658
    7   HG23  THR  74          HG23      THR  74  19.760  -1.106   2.129

  No H/Q in entry =           7
  In of MODEL   19
    1    H    GLU  75           H        GLU  75  20.594  -1.083  -2.564
    2    HA   GLU  75           HA       GLU  75  19.288  -1.859  -4.903
    3    HB2  GLU  75           HB2      GLU  75  21.839  -1.550  -4.260
    4    HB3  GLU  75           HB3      GLU  75  21.783  -3.283  -4.063
    5    HG2  GLU  75           HG2      GLU  75  22.349  -3.271  -6.207
    6    HG3  GLU  75           HG3      GLU  75  20.635  -2.987  -6.467

  No H/Q in entry =           6
  In of MODEL   19
    1    H    LYS  76           H        LYS  76  19.970  -3.657  -1.971
    2    HA   LYS  76           HA       LYS  76  19.543  -6.217  -3.189
    3    HB2  LYS  76           HB2      LYS  76  20.256  -5.398  -0.378
    4    HB3  LYS  76           HB3      LYS  76  20.207  -7.056  -0.956
    5    HG2  LYS  76           HG2      LYS  76  22.235  -6.901  -1.871
    6    HG3  LYS  76           HG3      LYS  76  21.864  -5.351  -2.621
    7    HD2  LYS  76           HD2      LYS  76  22.256  -4.240  -0.460
    8    HD3  LYS  76           HD3      LYS  76  22.701  -5.800   0.238
    9    HE2  LYS  76           HE2      LYS  76  24.516  -5.966  -1.463
   10    HE3  LYS  76           HE3      LYS  76  24.113  -4.332  -1.992
   11    HZ1  LYS  76           HZ1      LYS  76  24.549  -3.612   0.346
   12    HZ2  LYS  76           HZ2      LYS  76  25.151  -5.170   0.662
   13    HZ3  LYS  76           HZ3      LYS  76  25.916  -4.180  -0.482

  No H/Q in entry =          13
  In of MODEL   19
    1    H    ASP  77           H        ASP  77  17.694  -4.021  -1.133
    2    HA   ASP  77           HA       ASP  77  16.049  -6.298  -0.279
    3    HB2  ASP  77           HB2      ASP  77  15.327  -5.019   1.577
    4    HB3  ASP  77           HB3      ASP  77  17.038  -4.660   1.418

  No H/Q in entry =           4
  In of MODEL   19
    1    H    GLU  78           H        GLU  78  13.625  -5.624   0.084
    2    HA   GLU  78           HA       GLU  78  12.565  -3.967  -2.016
    3    HB2  GLU  78           HB2      GLU  78  13.015  -5.900  -3.367
    4    HB3  GLU  78           HB3      GLU  78  12.428  -6.983  -2.120
    5    HG2  GLU  78           HG2      GLU  78  10.395  -5.122  -3.190
    6    HG3  GLU  78           HG3      GLU  78  11.037  -6.304  -4.330

  No H/Q in entry =           6
  In of MODEL   19
    1    H    TYR  79           H        TYR  79  10.359  -3.538  -1.703
    2    HA   TYR  79           HA       TYR  79   9.150  -4.646   0.706
    3    HB2  TYR  79           HB2      TYR  79   8.776  -1.823  -0.315
    4    HB3  TYR  79           HB3      TYR  79   8.172  -2.495   1.195
    5    HD1  TYR  79           HD1      TYR  79  11.412  -1.854  -0.570
    6    HD2  TYR  79           HD2      TYR  79   9.355  -2.102   3.147
    7    HE1  TYR  79           HE1      TYR  79  13.422  -1.052   0.592
    8    HE2  TYR  79           HE2      TYR  79  11.367  -1.297   4.314
    9    HH   TYR  79           HH       TYR  79  14.222  -0.246   2.556

  No H/Q in entry =           9
  In of MODEL   19
    1    H    ALA  80           H        ALA  80   6.811  -4.786   0.684
    2    HA   ALA  80           HA       ALA  80   5.641  -4.746  -2.016
    3    HB1  ALA  80           HB1      ALA  80   4.939  -6.944  -1.976
    4    HB2  ALA  80           HB2      ALA  80   6.551  -7.047  -1.264
    5    HB3  ALA  80           HB3      ALA  80   5.126  -7.075  -0.233

  No H/Q in entry =           5
  In of MODEL   19
    1    H    CYS  81           H        CYS  81   3.237  -5.016  -1.981
    2    HA   CYS  81           HA       CYS  81   2.083  -3.969   0.526
    3    HB2  CYS  81           HB2      CYS  81   1.606  -3.316  -2.338
    4    HB3  CYS  81           HB3      CYS  81   0.206  -3.322  -1.270

  No H/Q in entry =           4
  In of MODEL   19
    1    H    ARG  82           H        ARG  82   0.508  -5.150   1.481
    2    HA   ARG  82           HA       ARG  82  -0.713  -7.389  -0.040
    3    HB2  ARG  82           HB2      ARG  82   0.822  -7.882   2.025
    4    HB3  ARG  82           HB3      ARG  82  -0.544  -7.287   2.961
    5    HG2  ARG  82           HG2      ARG  82  -1.946  -8.981   1.688
    6    HG3  ARG  82           HG3      ARG  82  -0.408  -9.705   1.195
    7    HD2  ARG  82           HD2      ARG  82  -1.542  -9.407   3.956
    8    HD3  ARG  82           HD3      ARG  82  -1.128 -10.888   3.104
    9    HE   ARG  82           HE       ARG  82   0.829  -8.958   4.196
   10   HH11  ARG  82          HH11      ARG  82  -0.115 -12.206   3.267
   11   HH12  ARG  82          HH12      ARG  82   1.310 -12.944   3.942
   12   HH21  ARG  82          HH21      ARG  82   2.667  -9.937   5.111
   13   HH22  ARG  82          HH22      ARG  82   2.876 -11.659   5.007

  No H/Q in entry =          13
  In of MODEL   19
    1    H    VAL  83           H        VAL  83  -2.998  -7.480   0.004
    2    HA   VAL  83           HA       VAL  83  -4.317  -5.866   2.074
    3    HB   VAL  83           HB       VAL  83  -5.791  -4.756   0.726
    4   HG11  VAL  83          HG11      VAL  83  -3.325  -4.999  -0.944
    5   HG12  VAL  83          HG12      VAL  83  -4.570  -3.764  -1.141
    6   HG13  VAL  83          HG13      VAL  83  -3.634  -3.847   0.353
    7   HG21  VAL  83          HG21      VAL  83  -5.228  -6.693  -1.499
    8   HG22  VAL  83          HG22      VAL  83  -6.675  -6.642  -0.493
    9   HG23  VAL  83          HG23      VAL  83  -6.319  -5.314  -1.598

  No H/Q in entry =           9
  In of MODEL   19
    1    H    ASN  84           H        ASN  84  -6.192  -6.625   2.816
    2    HA   ASN  84           HA       ASN  84  -7.114  -9.224   1.821
    3    HB2  ASN  84           HB2      ASN  84  -7.179  -8.143   4.662
    4    HB3  ASN  84           HB3      ASN  84  -8.031  -9.586   4.159
    5   HD21  ASN  84          HD21      ASN  84  -4.901  -8.167   4.701
    6   HD22  ASN  84          HD22      ASN  84  -4.033  -9.679   4.821

  No H/Q in entry =           6
  In of MODEL   19
    1    H    HIS  85           H        HIS  85  -9.178  -9.176   0.960
    2    HA   HIS  85           HA       HIS  85 -11.176  -7.783   2.535
    3    HB2  HIS  85           HB2      HIS  85 -10.319  -6.348   0.502
    4    HB3  HIS  85           HB3      HIS  85 -11.316  -7.454  -0.438
    5    HD2  HIS  85           HD2      HIS  85 -11.830  -4.909   2.548
    6    HE1  HIS  85           HE1      HIS  85 -15.424  -5.371   0.351
    7    HE2  HIS  85           HE2      HIS  85 -14.226  -4.004   2.112

  No H/Q in entry =           7
  In of MODEL   19
    1    H    VAL  86           H        VAL  86 -13.415  -8.486   1.779
    2    HA   VAL  86           HA       VAL  86 -13.414 -11.316   1.723
    3    HB   VAL  86           HB       VAL  86 -15.842 -11.177   1.641
    4   HG11  VAL  86          HG11      VAL  86 -14.588  -9.141   3.474
    5   HG12  VAL  86          HG12      VAL  86 -16.209  -9.806   3.666
    6   HG13  VAL  86          HG13      VAL  86 -14.802 -10.862   3.791
    7   HG21  VAL  86          HG21      VAL  86 -16.073  -9.366   0.017
    8   HG22  VAL  86          HG22      VAL  86 -17.005  -9.032   1.477
    9   HG23  VAL  86          HG23      VAL  86 -15.468  -8.212   1.205

  No H/Q in entry =           9
  In of MODEL   19
    1    H    THR  87           H        THR  87 -13.485  -8.915  -0.782
    2    HA   THR  87           HA       THR  87 -14.792 -10.474  -2.740
    3    HB   THR  87           HB       THR  87 -14.125  -8.781  -4.304
    4    HG1  THR  87           HG1      THR  87 -11.931  -8.557  -3.788
    5   HG21  THR  87          HG21      THR  87 -15.722  -8.190  -2.383
    6   HG22  THR  87          HG22      THR  87 -14.375  -7.248  -1.740
    7   HG23  THR  87          HG23      THR  87 -15.037  -6.863  -3.326

  No H/Q in entry =           7
  In of MODEL   19
    1    H    LEU  88           H        LEU  88 -11.424  -9.854  -1.984
    2    HA   LEU  88           HA       LEU  88 -10.394 -11.353  -4.171
    3    HB2  LEU  88           HB2      LEU  88  -9.322  -9.912  -1.839
    4    HB3  LEU  88           HB3      LEU  88  -8.360 -11.300  -2.289
    5    HG   LEU  88           HG       LEU  88  -7.742 -10.275  -4.422
    6   HD11  LEU  88          HD11      LEU  88 -10.139  -8.588  -3.942
    7   HD12  LEU  88          HD12      LEU  88  -8.904  -8.172  -5.125
    8   HD13  LEU  88          HD13      LEU  88  -9.807  -9.682  -5.277
    9   HD21  LEU  88          HD21      LEU  88  -6.795  -9.168  -2.352
   10   HD22  LEU  88          HD22      LEU  88  -6.826  -8.180  -3.823
   11   HD23  LEU  88          HD23      LEU  88  -8.029  -7.928  -2.554

  No H/Q in entry =          11
  In of MODEL   19
    1    H    SER  89           H        SER  89 -10.380 -13.467  -4.384
    2    HA   SER  89           HA       SER  89 -11.140 -15.211  -2.271
    3    HB2  SER  89           HB2      SER  89 -10.676 -17.008  -3.949
    4    HB3  SER  89           HB3      SER  89 -11.722 -15.735  -4.567
    5    HG   SER  89           HG       SER  89  -9.286 -16.541  -5.456

  No H/Q in entry =           5
  In of MODEL   19
    1    H    GLN  90           H        GLN  90  -8.238 -13.763  -3.155
    2    HA   GLN  90           HA       GLN  90  -6.819 -15.185  -1.050
    3    HB2  GLN  90           HB2      GLN  90  -5.333 -14.444  -3.556
    4    HB3  GLN  90           HB3      GLN  90  -4.881 -15.596  -2.314
    5    HG2  GLN  90           HG2      GLN  90  -6.222 -17.269  -3.205
    6    HG3  GLN  90           HG3      GLN  90  -7.186 -16.120  -4.149
    7   HE21  GLN  90          HE21      GLN  90  -6.817 -17.180  -6.082
    8   HE22  GLN  90          HE22      GLN  90  -5.276 -17.170  -6.872

  No H/Q in entry =           8
  In of MODEL   19
    1    HA   PRO  91           HA       PRO  91  -5.955 -10.717  -0.153
    2    HB2  PRO  91           HB2      PRO  91  -3.572 -12.205   0.957
    3    HB3  PRO  91           HB3      PRO  91  -4.396 -10.773   1.608
    4    HG2  PRO  91           HG2      PRO  91  -4.976 -13.092   2.656
    5    HG3  PRO  91           HG3      PRO  91  -6.309 -11.991   2.195
    6    HD2  PRO  91           HD2      PRO  91  -5.289 -14.464   0.793
    7    HD3  PRO  91           HD3      PRO  91  -6.980 -13.908   0.996

  No H/Q in entry =           7
  In of MODEL   19
    1    H    LYS  92           H        LYS  92  -4.397  -9.246  -1.022
    2    HA   LYS  92           HA       LYS  92  -3.232 -10.409  -3.458
    3    HB2  LYS  92           HB2      LYS  92  -5.205  -8.897  -3.670
    4    HB3  LYS  92           HB3      LYS  92  -4.157  -7.589  -3.111
    5    HG2  LYS  92           HG2      LYS  92  -4.215  -7.632  -5.535
    6    HG3  LYS  92           HG3      LYS  92  -2.607  -8.112  -4.955
    7    HD2  LYS  92           HD2      LYS  92  -2.785 -10.114  -5.853
    8    HD3  LYS  92           HD3      LYS  92  -4.341 -10.368  -5.070
    9    HE2  LYS  92           HE2      LYS  92  -4.609 -10.550  -7.479
   10    HE3  LYS  92           HE3      LYS  92  -5.487  -9.157  -6.836
   11    HZ1  LYS  92           HZ1      LYS  92  -2.823  -9.032  -8.157
   12    HZ2  LYS  92           HZ2      LYS  92  -4.300  -8.669  -8.907
   13    HZ3  LYS  92           HZ3      LYS  92  -3.745  -7.712  -7.624

  No H/Q in entry =          13
  In of MODEL   19
    1    H    ILE  93           H        ILE  93  -1.071 -10.267  -3.647
    2    HA   ILE  93           HA       ILE  93   0.286  -8.133  -2.132
    3    HB   ILE  93           HB       ILE  93   1.400 -10.747  -3.117
    4   HG12  ILE  93          HG12      ILE  93   0.550  -9.737  -0.438
    5   HG13  ILE  93          HG13      ILE  93   0.293 -11.283  -1.202
    6   HG21  ILE  93          HG21      ILE  93   2.751  -8.517  -1.663
    7   HG22  ILE  93          HG22      ILE  93   3.424 -10.119  -1.927
    8   HG23  ILE  93          HG23      ILE  93   3.091  -9.065  -3.308
    9   HD11  ILE  93          HD11      ILE  93   2.891 -10.378  -0.154
   10   HD12  ILE  93          HD12      ILE  93   1.740 -11.395   0.717
   11   HD13  ILE  93          HD13      ILE  93   2.486 -11.976  -0.778

  No H/Q in entry =          11
  In of MODEL   19
    1    H    VAL  94           H        VAL  94   1.179  -6.576  -3.247
    2    HA   VAL  94           HA       VAL  94   2.144  -7.146  -5.967
    3    HB   VAL  94           HB       VAL  94   0.905  -4.546  -5.022
    4   HG11  VAL  94          HG11      VAL  94   2.792  -4.152  -6.526
    5   HG12  VAL  94          HG12      VAL  94   2.089  -5.256  -7.708
    6   HG13  VAL  94          HG13      VAL  94   1.264  -3.749  -7.308
    7   HG21  VAL  94          HG21      VAL  94  -0.027  -6.542  -7.086
    8   HG22  VAL  94          HG22      VAL  94  -0.764  -6.253  -5.509
    9   HG23  VAL  94          HG23      VAL  94  -0.790  -4.991  -6.740

  No H/Q in entry =           9
  In of MODEL   19
    1    H    LYS  95           H        LYS  95   4.230  -6.761  -6.217
    2    HA   LYS  95           HA       LYS  95   5.686  -5.804  -3.894
    3    HB2  LYS  95           HB2      LYS  95   7.347  -7.164  -4.580
    4    HB3  LYS  95           HB3      LYS  95   6.175  -7.812  -5.708
    5    HG2  LYS  95           HG2      LYS  95   7.033  -6.510  -7.481
    6    HG3  LYS  95           HG3      LYS  95   7.998  -5.530  -6.371
    7    HD2  LYS  95           HD2      LYS  95   9.054  -7.825  -5.712
    8    HD3  LYS  95           HD3      LYS  95   8.413  -8.354  -7.264
    9    HE2  LYS  95           HE2      LYS  95  10.233  -5.977  -6.902
   10    HE3  LYS  95           HE3      LYS  95  10.781  -7.593  -7.345
   11    HZ1  LYS  95           HZ1      LYS  95   8.828  -5.997  -8.914
   12    HZ2  LYS  95           HZ2      LYS  95  10.484  -6.121  -9.272
   13    HZ3  LYS  95           HZ3      LYS  95   9.489  -7.493  -9.343

  No H/Q in entry =          13
  In of MODEL   19
    1    H    TRP  96           H        TRP  96   7.039  -4.021  -3.881
    2    HA   TRP  96           HA       TRP  96   6.217  -1.919  -5.669
    3    HB2  TRP  96           HB2      TRP  96   6.489  -1.419  -3.294
    4    HB3  TRP  96           HB3      TRP  96   8.174  -1.946  -3.332
    5    HD1  TRP  96           HD1      TRP  96   5.945   0.807  -4.901
    6    HE1  TRP  96           HE1      TRP  96   7.406   2.896  -5.251
    7    HE3  TRP  96           HE3      TRP  96  10.444  -1.077  -3.376
    8    HZ2  TRP  96           HZ2      TRP  96  10.111   3.652  -4.915
    9    HZ3  TRP  96           HZ3      TRP  96  12.419   0.385  -3.406
   10    HH2  TRP  96           HH2      TRP  96  12.249   2.722  -4.150

  No H/Q in entry =          10
  In of MODEL   19
    1    H    ASP  97           H        ASP  97   7.288  -1.217  -7.394
    2    HA   ASP  97           HA       ASP  97  10.065  -2.101  -7.757
    3    HB2  ASP  97           HB2      ASP  97   9.711  -2.688 -10.008
    4    HB3  ASP  97           HB3      ASP  97   8.326  -3.370  -9.168

  No H/Q in entry =           4
  In of MODEL   19
    1    H    ARG  98           H        ARG  98  11.417  -0.674  -8.760
    2    HA   ARG  98           HA       ARG  98  10.382   2.058  -9.125
    3    HB2  ARG  98           HB2      ARG  98  12.874   2.640  -9.121
    4    HB3  ARG  98           HB3      ARG  98  12.173   2.152  -7.598
    5    HG2  ARG  98           HG2      ARG  98  13.592   0.156  -9.355
    6    HG3  ARG  98           HG3      ARG  98  14.505   1.240  -8.323
    7    HD2  ARG  98           HD2      ARG  98  14.239  -0.157  -6.584
    8    HD3  ARG  98           HD3      ARG  98  12.475   0.002  -6.739
    9    HE   ARG  98           HE       ARG  98  12.841  -1.862  -8.519
   10   HH11  ARG  98          HH11      ARG  98  14.611  -1.486  -5.521
   11   HH12  ARG  98          HH12      ARG  98  14.864  -3.193  -5.313
   12   HH21  ARG  98          HH21      ARG  98  13.144  -4.097  -8.235
   13   HH22  ARG  98          HH22      ARG  98  14.047  -4.673  -6.856

  No H/Q in entry =          13
  In of MODEL   19
    1    H    ASP  99           H        ASP  99  11.834  -0.643 -10.661
    2    HA   ASP  99           HA       ASP  99  10.958   0.215 -13.216
    3    HB2  ASP  99           HB2      ASP  99  13.171   1.483 -12.931
    4    HB3  ASP  99           HB3      ASP  99  13.957  -0.094 -12.998

  No H/Q in entry =           4
  In of MODEL   19
    1    H    MET 100           H        MET 100  12.002  -1.910 -10.972
    2    HA   MET 100           HA       MET 100  11.621  -4.260 -12.540
    3    HB2  MET 100           HB2      MET 100  14.032  -5.081 -11.747
    4    HB3  MET 100           HB3      MET 100  13.914  -4.026 -13.167
    5    HG2  MET 100           HG2      MET 100  14.178  -2.111 -11.437
    6    HG3  MET 100           HG3      MET 100  14.811  -3.390 -10.396
    7    HE1  MET 100           HE1      MET 100  16.393  -0.722 -11.405
    8    HE2  MET 100           HE2      MET 100  17.060  -1.873 -10.247
    9    HE3  MET 100           HE3      MET 100  17.998  -1.403 -11.666

  No H/Q in entry =           9
  In of MODEL   20
    1    HA   ILE   2           HA       ILE   2 -21.092 -10.265  -4.388
    2    HB   ILE   2           HB       ILE   2 -19.067 -11.009  -5.882
    3   HG12  ILE   2          HG12      ILE   2 -19.862 -11.238  -8.294
    4   HG13  ILE   2          HG13      ILE   2 -21.056 -10.002  -7.924
    5   HG21  ILE   2          HG21      ILE   2 -21.873 -12.002  -6.305
    6   HG22  ILE   2          HG22      ILE   2 -20.401 -12.886  -6.710
    7   HG23  ILE   2          HG23      ILE   2 -20.760 -12.494  -5.028
    8   HD11  ILE   2          HD11      ILE   2 -18.071  -9.664  -7.741
    9   HD12  ILE   2          HD12      ILE   2 -19.107  -9.076  -9.042
   10   HD13  ILE   2          HD13      ILE   2 -19.281  -8.425  -7.412

  No H/Q in entry =          10
  In of MODEL   20
    1    H    GLN   3           H        GLN   3 -20.920  -7.479  -4.113
    2    HA   GLN   3           HA       GLN   3 -19.556  -5.811  -3.417
    3    HB2  GLN   3           HB2      GLN   3 -18.810  -7.753  -1.947
    4    HB3  GLN   3           HB3      GLN   3 -17.480  -7.992  -3.062
    5    HG2  GLN   3           HG2      GLN   3 -16.759  -6.760  -1.100
    6    HG3  GLN   3           HG3      GLN   3 -16.630  -5.763  -2.553
    7   HE21  GLN   3          HE21      GLN   3 -19.621  -6.481  -0.885
    8   HE22  GLN   3          HE22      GLN   3 -19.928  -4.866  -0.341

  No H/Q in entry =           8
  In of MODEL   20
    1    H    ARG   4           H        ARG   4 -17.078  -4.979  -3.754
    2    HA   ARG   4           HA       ARG   4 -16.504  -5.270  -6.627
    3    HB2  ARG   4           HB2      ARG   4 -17.505  -3.102  -6.299
    4    HB3  ARG   4           HB3      ARG   4 -16.486  -2.787  -4.903
    5    HG2  ARG   4           HG2      ARG   4 -14.621  -2.301  -6.169
    6    HG3  ARG   4           HG3      ARG   4 -15.192  -3.231  -7.567
    7    HD2  ARG   4           HD2      ARG   4 -15.243  -0.788  -7.959
    8    HD3  ARG   4           HD3      ARG   4 -16.851  -1.507  -8.060
    9    HE   ARG   4           HE       ARG   4 -16.072  -0.364  -5.498
   10   HH11  ARG   4          HH11      ARG   4 -17.816   0.042  -8.514
   11   HH12  ARG   4          HH12      ARG   4 -18.812   1.335  -7.910
   12   HH21  ARG   4          HH21      ARG   4 -17.378   1.341  -4.707
   13   HH22  ARG   4          HH22      ARG   4 -18.578   2.056  -5.740

  No H/Q in entry =          13
  In of MODEL   20
    1    H    THR   5           H        THR   5 -14.351  -5.450  -7.205
    2    HA   THR   5           HA       THR   5 -12.663  -6.425  -5.108
    3    HB   THR   5           HB       THR   5 -11.048  -6.985  -6.857
    4    HG1  THR   5           HG1      THR   5 -12.853  -5.553  -8.565
    5   HG21  THR   5          HG21      THR   5 -13.918  -7.674  -7.443
    6   HG22  THR   5          HG22      THR   5 -12.574  -8.370  -8.344
    7   HG23  THR   5          HG23      THR   5 -12.704  -8.643  -6.611

  No H/Q in entry =           7
  In of MODEL   20
    1    HA   PRO   6           HA       PRO   6 -10.514  -2.499  -4.578
    2    HB2  PRO   6           HB2      PRO   6  -8.931  -3.808  -2.546
    3    HB3  PRO   6           HB3      PRO   6 -10.159  -2.558  -2.340
    4    HG2  PRO   6           HG2      PRO   6 -10.428  -5.171  -1.493
    5    HG3  PRO   6           HG3      PRO   6 -11.789  -4.068  -1.818
    6    HD2  PRO   6           HD2      PRO   6 -10.675  -6.280  -3.507
    7    HD3  PRO   6           HD3      PRO   6 -12.350  -5.702  -3.331

  No H/Q in entry =           7
  In of MODEL   20
    1    H    LYS   7           H        LYS   7  -8.799  -1.947  -5.802
    2    HA   LYS   7           HA       LYS   7  -7.090  -4.136  -6.743
    3    HB2  LYS   7           HB2      LYS   7  -8.258  -2.885  -8.494
    4    HB3  LYS   7           HB3      LYS   7  -7.612  -1.369  -7.880
    5    HG2  LYS   7           HG2      LYS   7  -5.325  -2.214  -8.425
    6    HG3  LYS   7           HG3      LYS   7  -6.085  -3.603  -9.203
    7    HD2  LYS   7           HD2      LYS   7  -6.575  -0.719  -9.952
    8    HD3  LYS   7           HD3      LYS   7  -5.473  -1.808 -10.796
    9    HE2  LYS   7           HE2      LYS   7  -7.344  -3.295 -11.316
   10    HE3  LYS   7           HE3      LYS   7  -8.445  -2.207 -10.474
   11    HZ1  LYS   7           HZ1      LYS   7  -6.810  -1.423 -12.826
   12    HZ2  LYS   7           HZ2      LYS   7  -8.428  -1.929 -12.915
   13    HZ3  LYS   7           HZ3      LYS   7  -8.025  -0.507 -12.079

  No H/Q in entry =          13
  In of MODEL   20
    1    H    ILE   8           H        ILE   8  -4.838  -3.877  -6.833
    2    HA   ILE   8           HA       ILE   8  -3.842  -2.296  -4.604
    3    HB   ILE   8           HB       ILE   8  -2.150  -4.125  -6.277
    4   HG12  ILE   8          HG12      ILE   8  -4.084  -5.464  -5.748
    5   HG13  ILE   8          HG13      ILE   8  -2.764  -5.954  -4.697
    6   HG21  ILE   8          HG21      ILE   8  -2.106  -3.302  -3.376
    7   HG22  ILE   8          HG22      ILE   8  -0.986  -4.441  -4.122
    8   HG23  ILE   8          HG23      ILE   8  -1.007  -2.757  -4.644
    9   HD11  ILE   8          HD11      ILE   8  -5.028  -4.133  -3.934
   10   HD12  ILE   8          HD12      ILE   8  -4.867  -5.838  -3.496
   11   HD13  ILE   8          HD13      ILE   8  -3.712  -4.654  -2.884

  No H/Q in entry =          11
  In of MODEL   20
    1    H    GLN   9           H        GLN   9  -3.005  -0.375  -4.935
    2    HA   GLN   9           HA       GLN   9  -1.263  -0.057  -7.271
    3    HB2  GLN   9           HB2      GLN   9  -2.345   2.525  -6.467
    4    HB3  GLN   9           HB3      GLN   9  -2.443   1.811  -8.080
    5    HG2  GLN   9           HG2      GLN   9  -4.420   0.622  -7.528
    6    HG3  GLN   9           HG3      GLN   9  -4.332   1.096  -5.839
    7   HE21  GLN   9          HE21      GLN   9  -3.471   3.826  -6.566
    8   HE22  GLN   9          HE22      GLN   9  -4.891   4.641  -7.136

  No H/Q in entry =           8
  In of MODEL   20
    1    H    VAL  10           H        VAL  10   0.711   0.224  -6.559
    2    HA   VAL  10           HA       VAL  10   1.200   1.726  -4.092
    3    HB   VAL  10           HB       VAL  10   1.421  -0.425  -3.196
    4   HG11  VAL  10          HG11      VAL  10   1.239  -1.605  -5.371
    5   HG12  VAL  10          HG12      VAL  10   2.969  -1.357  -5.600
    6   HG13  VAL  10          HG13      VAL  10   2.388  -2.330  -4.245
    7   HG21  VAL  10          HG21      VAL  10   4.164   0.409  -4.131
    8   HG22  VAL  10          HG22      VAL  10   3.379   0.823  -2.607
    9   HG23  VAL  10          HG23      VAL  10   3.873  -0.844  -2.924

  No H/Q in entry =           9
  In of MODEL   20
    1    H    TYR  11           H        TYR  11   2.846   3.079  -4.143
    2    HA   TYR  11           HA       TYR  11   4.941   2.892  -6.095
    3    HB2  TYR  11           HB2      TYR  11   4.490   5.015  -7.208
    4    HB3  TYR  11           HB3      TYR  11   3.116   3.939  -7.413
    5    HD1  TYR  11           HD1      TYR  11   4.328   6.999  -5.788
    6    HD2  TYR  11           HD2      TYR  11   0.962   4.480  -6.443
    7    HE1  TYR  11           HE1      TYR  11   2.846   8.782  -4.975
    8    HE2  TYR  11           HE2      TYR  11  -0.527   6.255  -5.622
    9    HH   TYR  11           HH       TYR  11   0.497   9.461  -5.198

  No H/Q in entry =           9
  In of MODEL   20
    1    H    SER  12           H        SER  12   6.426   4.870  -5.838
    2    HA   SER  12           HA       SER  12   6.652   5.393  -2.971
    3    HB2  SER  12           HB2      SER  12   8.569   4.513  -4.431
    4    HB3  SER  12           HB3      SER  12   8.652   6.146  -5.097
    5    HG   SER  12           HG       SER  12   8.574   6.063  -2.354

  No H/Q in entry =           5
  In of MODEL   20
    1    H    ARG  13           H        ARG  13   6.741   7.465  -2.094
    2    HA   ARG  13           HA       ARG  13   5.137   9.415  -3.371
    3    HB2  ARG  13           HB2      ARG  13   5.847   9.036  -0.836
    4    HB3  ARG  13           HB3      ARG  13   7.091  10.207  -1.233
    5    HG2  ARG  13           HG2      ARG  13   4.115  10.555  -1.111
    6    HG3  ARG  13           HG3      ARG  13   5.371  11.500  -0.322
    7    HD2  ARG  13           HD2      ARG  13   5.395  12.965  -2.027
    8    HD3  ARG  13           HD3      ARG  13   5.617  11.651  -3.187
    9    HE   ARG  13           HE       ARG  13   2.954  12.363  -2.152
   10   HH11  ARG  13          HH11      ARG  13   5.140  11.757  -4.835
   11   HH12  ARG  13          HH12      ARG  13   3.896  11.936  -6.033
   12   HH21  ARG  13          HH21      ARG  13   1.337  12.583  -3.726
   13   HH22  ARG  13          HH22      ARG  13   1.735  12.391  -5.412

  No H/Q in entry =          13
  In of MODEL   20
    1    H    HIS  14           H        HIS  14   8.644   9.256  -2.843
    2    HA   HIS  14           HA       HIS  14   8.968  11.176  -5.033
    3    HB2  HIS  14           HB2      HIS  14  10.457  10.981  -2.414
    4    HB3  HIS  14           HB3      HIS  14  11.164  11.808  -3.799
    5    HD2  HIS  14           HD2      HIS  14   7.803  12.926  -4.331
    6    HE1  HIS  14           HE1      HIS  14   9.094  15.385  -1.137
    7    HE2  HIS  14           HE2      HIS  14   7.472  15.167  -3.077

  No H/Q in entry =           7
  In of MODEL   20
    1    HA   PRO  15           HA       PRO  15  11.722   8.529  -7.264
    2    HB2  PRO  15           HB2      PRO  15  14.338   9.457  -6.872
    3    HB3  PRO  15           HB3      PRO  15  13.221   9.981  -8.148
    4    HG2  PRO  15           HG2      PRO  15  13.866  11.315  -5.519
    5    HG3  PRO  15           HG3      PRO  15  13.500  12.047  -7.117
    6    HD2  PRO  15           HD2      PRO  15  11.662  11.992  -5.143
    7    HD3  PRO  15           HD3      PRO  15  11.194  11.766  -6.856

  No H/Q in entry =           7
  In of MODEL   20
    1    H    ALA  16           H        ALA  16  12.894   6.660  -7.076
    2    HA   ALA  16           HA       ALA  16  13.333   5.698  -4.385
    3    HB1  ALA  16           HB1      ALA  16  12.262   4.283  -6.100
    4    HB2  ALA  16           HB2      ALA  16  13.762   4.300  -7.023
    5    HB3  ALA  16           HB3      ALA  16  13.718   3.546  -5.429

  No H/Q in entry =           5
  In of MODEL   20
    1    H    GLU  17           H        GLU  17  15.217   6.220  -3.416
    2    HA   GLU  17           HA       GLU  17  17.667   5.976  -5.004
    3    HB2  GLU  17           HB2      GLU  17  16.826   8.313  -4.084
    4    HB3  GLU  17           HB3      GLU  17  17.511   7.723  -2.580
    5    HG2  GLU  17           HG2      GLU  17  19.111   7.806  -5.099
    6    HG3  GLU  17           HG3      GLU  17  18.943   9.222  -4.084

  No H/Q in entry =           6
  In of MODEL   20
    1    H    ASN  18           H        ASN  18  18.870   4.392  -4.385
    2    HA   ASN  18           HA       ASN  18  18.289   2.939  -1.970
    3    HB2  ASN  18           HB2      ASN  18  18.835   1.483  -3.675
    4    HB3  ASN  18           HB3      ASN  18  20.161   2.485  -4.268
    5   HD21  ASN  18          HD21      ASN  18  21.523   0.691  -4.322
    6   HD22  ASN  18          HD22      ASN  18  22.197   0.008  -2.881

  No H/Q in entry =           6
  In of MODEL   20
    1    H    GLY  19           H        GLY  19  19.124   3.131  -0.078
    2    HA2  GLY  19           HA2      GLY  19  21.719   4.423   0.300
    3    HA3  GLY  19           HA3      GLY  19  20.747   3.624   1.546

  No H/Q in entry =           3
  In of MODEL   20
    1    H    LYS  20           H        LYS  20  18.451   5.206   0.181
    2    HA   LYS  20           HA       LYS  20  18.992   7.804   1.462
    3    HB2  LYS  20           HB2      LYS  20  18.931   7.764  -1.064
    4    HB3  LYS  20           HB3      LYS  20  17.248   7.286  -0.940
    5    HG2  LYS  20           HG2      LYS  20  17.057   9.540  -1.277
    6    HG3  LYS  20           HG3      LYS  20  16.994   9.443   0.483
    7    HD2  LYS  20           HD2      LYS  20  19.589   9.775   0.269
    8    HD3  LYS  20           HD3      LYS  20  19.175  10.453  -1.299
    9    HE2  LYS  20           HE2      LYS  20  19.315  12.168   0.507
   10    HE3  LYS  20           HE3      LYS  20  17.742  12.110  -0.290
   11    HZ1  LYS  20           HZ1      LYS  20  18.381  10.790   2.293
   12    HZ2  LYS  20           HZ2      LYS  20  17.588  12.282   2.141
   13    HZ3  LYS  20           HZ3      LYS  20  16.861  10.874   1.548

  No H/Q in entry =          13
  In of MODEL   20
    1    H    SER  21           H        SER  21  17.454   8.619   2.760
    2    HA   SER  21           HA       SER  21  15.272   6.998   3.594
    3    HB2  SER  21           HB2      SER  21  15.882   9.904   4.110
    4    HB3  SER  21           HB3      SER  21  14.714   8.929   5.000
    5    HG   SER  21           HG       SER  21  16.290   8.000   6.080

  No H/Q in entry =           5
  In of MODEL   20
    1    H    ASN  22           H        ASN  22  13.208   7.051   2.956
    2    HA   ASN  22           HA       ASN  22  12.222   9.124   1.147
    3    HB2  ASN  22           HB2      ASN  22  13.565   7.214  -0.105
    4    HB3  ASN  22           HB3      ASN  22  12.103   6.270   0.192
    5   HD21  ASN  22          HD21      ASN  22  11.409   6.104  -1.886
    6   HD22  ASN  22          HD22      ASN  22  10.942   7.446  -2.864

  No H/Q in entry =           6
  In of MODEL   20
    1    H    PHE  23           H        PHE  23   9.845   8.305   0.357
    2    HA   PHE  23           HA       PHE  23   8.590   7.085   2.730
    3    HB2  PHE  23           HB2      PHE  23   7.644   9.452   1.097
    4    HB3  PHE  23           HB3      PHE  23   6.613   8.580   2.218
    5    HD1  PHE  23           HD1      PHE  23   6.122  10.047   3.907
    6    HD2  PHE  23           HD2      PHE  23  10.155   9.704   2.598
    7    HE1  PHE  23           HE1      PHE  23   6.836  11.539   5.730
    8    HE2  PHE  23           HE2      PHE  23  10.880  11.176   4.425
    9    HZ   PHE  23           HZ       PHE  23   9.224  12.087   5.996

  No H/Q in entry =           9
  In of MODEL   20
    1    H    LEU  24           H        LEU  24   7.062   5.556   2.336
    2    HA   LEU  24           HA       LEU  24   6.649   4.711  -0.449
    3    HB2  LEU  24           HB2      LEU  24   7.193   3.336   1.880
    4    HB3  LEU  24           HB3      LEU  24   5.471   3.076   1.678
    5    HG   LEU  24           HG       LEU  24   7.670   2.299  -0.269
    6   HD11  LEU  24          HD11      LEU  24   5.786   0.665   1.440
    7   HD12  LEU  24          HD12      LEU  24   6.915   0.010   0.252
    8   HD13  LEU  24          HD13      LEU  24   7.523   0.849   1.679
    9   HD21  LEU  24          HD21      LEU  24   4.675   1.974  -0.527
   10   HD22  LEU  24          HD22      LEU  24   5.729   2.937  -1.563
   11   HD23  LEU  24          HD23      LEU  24   5.875   1.180  -1.548

  No H/Q in entry =          11
  In of MODEL   20
    1    H    ASN  25           H        ASN  25   4.508   4.221  -1.177
    2    HA   ASN  25           HA       ASN  25   2.301   5.252   0.451
    3    HB2  ASN  25           HB2      ASN  25   2.911   6.011  -2.411
    4    HB3  ASN  25           HB3      ASN  25   1.320   6.214  -1.703
    5   HD21  ASN  25          HD21      ASN  25   2.316   6.989   0.906
    6   HD22  ASN  25          HD22      ASN  25   2.916   8.596   0.723

  No H/Q in entry =           6
  In of MODEL   20
    1    H    CYS  26           H        CYS  26   0.688   3.784   0.562
    2    HA   CYS  26           HA       CYS  26   0.341   1.918  -1.686
    3    HB2  CYS  26           HB2      CYS  26   1.365   0.971   0.513
    4    HB3  CYS  26           HB3      CYS  26  -0.279   1.136   1.143

  No H/Q in entry =           4
  In of MODEL   20
    1    H    TYR  27           H        TYR  27  -1.608   2.088  -2.559
    2    HA   TYR  27           HA       TYR  27  -3.704   3.459  -0.999
    3    HB2  TYR  27           HB2      TYR  27  -2.866   3.873  -3.866
    4    HB3  TYR  27           HB3      TYR  27  -4.453   4.348  -3.289
    5    HD1  TYR  27           HD1      TYR  27  -4.763   6.360  -2.038
    6    HD2  TYR  27           HD2      TYR  27  -0.817   5.046  -2.978
    7    HE1  TYR  27           HE1      TYR  27  -3.887   8.576  -1.465
    8    HE2  TYR  27           HE2      TYR  27   0.059   7.255  -2.401
    9    HH   TYR  27           HH       TYR  27  -0.668   9.520  -2.194

  No H/Q in entry =           9
  In of MODEL   20
    1    H    VAL  28           H        VAL  28  -5.200   1.950  -0.585
    2    HA   VAL  28           HA       VAL  28  -6.064   0.234  -2.830
    3    HB   VAL  28           HB       VAL  28  -6.663  -0.450   0.035
    4   HG11  VAL  28          HG11      VAL  28  -6.309  -2.069  -2.481
    5   HG12  VAL  28          HG12      VAL  28  -6.684  -2.736  -0.890
    6   HG13  VAL  28          HG13      VAL  28  -7.837  -1.670  -1.694
    7   HG21  VAL  28          HG21      VAL  28  -4.099  -1.081  -1.418
    8   HG22  VAL  28          HG22      VAL  28  -4.284  -0.194   0.101
    9   HG23  VAL  28          HG23      VAL  28  -4.650  -1.920   0.037

  No H/Q in entry =           9
  In of MODEL   20
    1    H    SER  29           H        SER  29  -7.836   1.220  -3.664
    2    HA   SER  29           HA       SER  29 -10.017   1.920  -1.856
    3    HB2  SER  29           HB2      SER  29  -8.684   3.990  -2.097
    4    HB3  SER  29           HB3      SER  29  -8.888   3.906  -3.845
    5    HG   SER  29           HG       SER  29 -10.754   4.552  -1.847

  No H/Q in entry =           5
  In of MODEL   20
    1    H    GLY  30           H        GLY  30 -12.013   2.564  -3.113
    2    HA2  GLY  30           HA2      GLY  30 -12.156   1.277  -5.747
    3    HA3  GLY  30           HA3      GLY  30 -13.345   2.386  -5.076

  No H/Q in entry =           3
  In of MODEL   20
    1    H    PHE  31           H        PHE  31 -13.223   0.951  -2.477
    2    HA   PHE  31           HA       PHE  31 -14.777  -1.445  -3.213
    3    HB2  PHE  31           HB2      PHE  31 -13.751  -2.586  -1.282
    4    HB3  PHE  31           HB3      PHE  31 -12.507  -2.043  -2.430
    5    HD1  PHE  31           HD1      PHE  31 -13.981  -1.486   0.887
    6    HD2  PHE  31           HD2      PHE  31 -11.023  -0.224  -1.897
    7    HE1  PHE  31           HE1      PHE  31 -12.883  -0.181   2.654
    8    HE2  PHE  31           HE2      PHE  31  -9.921   1.084  -0.132
    9    HZ   PHE  31           HZ       PHE  31 -10.853   1.112   2.140

  No H/Q in entry =           9
  In of MODEL   20
    1    H    HIS  32           H        HIS  32 -15.763  -2.315  -0.989
    2    HA   HIS  32           HA       HIS  32 -16.626  -0.133   0.757
    3    HB2  HIS  32           HB2      HIS  32 -18.666  -2.118  -0.357
    4    HB3  HIS  32           HB3      HIS  32 -18.958  -0.870   0.840
    5    HD2  HIS  32           HD2      HIS  32 -18.291   1.820  -0.318
    6    HE1  HIS  32           HE1      HIS  32 -19.849   0.524  -4.031
    7    HE2  HIS  32           HE2      HIS  32 -18.927   2.502  -2.741

  No H/Q in entry =           7
  In of MODEL   20
    1    HA   PRO  33           HA       PRO  33 -18.843  -0.739   2.491
    2    HB2  PRO  33           HB2      PRO  33 -17.771  -0.535   5.233
    3    HB3  PRO  33           HB3      PRO  33 -19.411  -0.898   4.689
    4    HG2  PRO  33           HG2      PRO  33 -17.842  -2.788   5.752
    5    HG3  PRO  33           HG3      PRO  33 -18.973  -3.149   4.433
    6    HD2  PRO  33           HD2      PRO  33 -16.008  -2.728   4.330
    7    HD3  PRO  33           HD3      PRO  33 -17.007  -3.929   3.476

  No H/Q in entry =           7
  In of MODEL   20
    1    H    SER  34           H        SER  34 -16.056   0.066   4.647
    2    HA   SER  34           HA       SER  34 -15.250   2.212   2.908
    3    HB2  SER  34           HB2      SER  34 -16.252   2.740   5.727
    4    HB3  SER  34           HB3      SER  34 -15.465   3.921   4.686
    5    HG   SER  34           HG       SER  34 -17.487   2.865   3.327

  No H/Q in entry =           5
  In of MODEL   20
    1    H    ASP  35           H        ASP  35 -14.395  -0.351   4.187
    2    HA   ASP  35           HA       ASP  35 -11.934   0.555   5.463
    3    HB2  ASP  35           HB2      ASP  35 -12.246  -0.832   7.449
    4    HB3  ASP  35           HB3      ASP  35 -13.604   0.286   7.320

  No H/Q in entry =           4
  In of MODEL   20
    1    H    ILE  36           H        ILE  36 -10.252  -0.654   4.957
    2    HA   ILE  36           HA       ILE  36 -10.552  -3.499   4.349
    3    HB   ILE  36           HB       ILE  36 -10.450  -2.144   2.142
    4   HG12  ILE  36          HG12      ILE  36  -8.619  -4.393   2.918
    5   HG13  ILE  36          HG13      ILE  36 -10.060  -4.439   1.911
    6   HG21  ILE  36          HG21      ILE  36  -7.608  -1.809   3.103
    7   HG22  ILE  36          HG22      ILE  36  -8.151  -1.496   1.453
    8   HG23  ILE  36          HG23      ILE  36  -8.758  -0.511   2.781
    9   HD11  ILE  36          HD11      ILE  36  -7.429  -3.211   1.105
   10   HD12  ILE  36          HD12      ILE  36  -7.977  -4.822   0.652
   11   HD13  ILE  36          HD13      ILE  36  -8.854  -3.402   0.083

  No H/Q in entry =          11
  In of MODEL   20
    1    H    GLU  37           H        GLU  37  -8.522  -4.660   4.772
    2    HA   GLU  37           HA       GLU  37  -6.646  -3.061   6.343
    3    HB2  GLU  37           HB2      GLU  37  -7.845  -5.077   7.368
    4    HB3  GLU  37           HB3      GLU  37  -6.875  -6.059   6.278
    5    HG2  GLU  37           HG2      GLU  37  -5.704  -6.093   8.307
    6    HG3  GLU  37           HG3      GLU  37  -4.843  -4.914   7.314

  No H/Q in entry =           6
  In of MODEL   20
    1    H    VAL  38           H        VAL  38  -4.770  -2.669   5.441
    2    HA   VAL  38           HA       VAL  38  -3.657  -4.580   3.539
    3    HB   VAL  38           HB       VAL  38  -3.978  -3.207   1.817
    4   HG11  VAL  38          HG11      VAL  38  -4.632  -1.028   3.776
    5   HG12  VAL  38          HG12      VAL  38  -4.851  -0.922   2.029
    6   HG13  VAL  38          HG13      VAL  38  -5.760  -2.112   2.960
    7   HG21  VAL  38          HG21      VAL  38  -2.054  -1.363   3.235
    8   HG22  VAL  38          HG22      VAL  38  -1.644  -2.649   2.103
    9   HG23  VAL  38          HG23      VAL  38  -2.519  -1.221   1.537

  No H/Q in entry =           9
  In of MODEL   20
    1    H    ASP  39           H        ASP  39  -1.520  -4.822   3.624
    2    HA   ASP  39           HA       ASP  39  -0.081  -3.347   5.721
    3    HB2  ASP  39           HB2      ASP  39   0.131  -5.153   7.047
    4    HB3  ASP  39           HB3      ASP  39  -1.084  -5.914   6.032

  No H/Q in entry =           4
  In of MODEL   20
    1    H    LEU  40           H        LEU  40   2.166  -3.228   5.461
    2    HA   LEU  40           HA       LEU  40   2.971  -3.590   2.667
    3    HB2  LEU  40           HB2      LEU  40   4.429  -1.946   4.726
    4    HB3  LEU  40           HB3      LEU  40   4.601  -1.893   2.984
    5    HG   LEU  40           HG       LEU  40   2.233  -0.917   4.567
    6   HD11  LEU  40          HD11      LEU  40   4.187   0.530   4.748
    7   HD12  LEU  40          HD12      LEU  40   4.335   0.565   2.988
    8   HD13  LEU  40          HD13      LEU  40   2.929   1.292   3.772
    9   HD21  LEU  40          HD21      LEU  40   2.721  -0.963   1.603
   10   HD22  LEU  40          HD22      LEU  40   1.423  -1.767   2.492
   11   HD23  LEU  40          HD23      LEU  40   1.471  -0.003   2.398

  No H/Q in entry =          11
  In of MODEL   20
    1    H    LEU  41           H        LEU  41   4.790  -4.700   2.130
    2    HA   LEU  41           HA       LEU  41   5.840  -6.394   4.282
    3    HB2  LEU  41           HB2      LEU  41   5.951  -7.137   1.404
    4    HB3  LEU  41           HB3      LEU  41   6.053  -8.163   2.802
    5    HG   LEU  41           HG       LEU  41   3.544  -6.763   1.904
    6   HD11  LEU  41          HD11      LEU  41   4.274  -8.481   0.324
    7   HD12  LEU  41          HD12      LEU  41   4.366  -9.652   1.640
    8   HD13  LEU  41          HD13      LEU  41   2.810  -8.962   1.176
    9   HD21  LEU  41          HD21      LEU  41   3.646  -7.163   4.310
   10   HD22  LEU  41          HD22      LEU  41   2.454  -8.209   3.535
   11   HD23  LEU  41          HD23      LEU  41   4.020  -8.862   4.015

  No H/Q in entry =          11
  In of MODEL   20
    1    H    LYS  42           H        LYS  42   7.795  -7.546   3.460
    2    HA   LYS  42           HA       LYS  42   9.789  -5.968   2.140
    3    HB2  LYS  42           HB2      LYS  42   9.866  -6.320   5.101
    4    HB3  LYS  42           HB3      LYS  42  11.373  -6.294   4.192
    5    HG2  LYS  42           HG2      LYS  42  10.982  -4.095   3.422
    6    HG3  LYS  42           HG3      LYS  42   9.298  -4.119   3.966
    7    HD2  LYS  42           HD2      LYS  42  10.058  -4.216   6.299
    8    HD3  LYS  42           HD3      LYS  42  11.738  -4.281   5.758
    9    HE2  LYS  42           HE2      LYS  42  11.493  -2.049   4.775
   10    HE3  LYS  42           HE3      LYS  42   9.822  -1.993   5.336
   11    HZ1  LYS  42           HZ1      LYS  42  10.638  -2.183   7.613
   12    HZ2  LYS  42           HZ2      LYS  42  12.236  -2.189   7.060
   13    HZ3  LYS  42           HZ3      LYS  42  11.271  -0.809   6.850

  No H/Q in entry =          13
  In of MODEL   20
    1    H    ASN  43           H        ASN  43  10.286  -7.548   0.782
    2    HA   ASN  43           HA       ASN  43  11.006  -9.523  -0.071
    3    HB2  ASN  43           HB2      ASN  43  11.902 -10.131   2.767
    4    HB3  ASN  43           HB3      ASN  43  12.419 -11.006   1.330
    5   HD21  ASN  43          HD21      ASN  43  12.796  -8.171   3.251
    6   HD22  ASN  43          HD22      ASN  43  14.132  -7.488   2.388

  No H/Q in entry =           6
  In of MODEL   20
    1    H    GLY  44           H        GLY  44   8.831  -9.435   2.537
    2    HA2  GLY  44           HA2      GLY  44   7.870 -12.156   2.112
    3    HA3  GLY  44           HA3      GLY  44   6.784 -10.834   1.649

  No H/Q in entry =           3
  In of MODEL   20
    1    H    GLU  45           H        GLU  45   8.524  -9.627   4.146
    2    HA   GLU  45           HA       GLU  45   6.937 -10.860   6.268
    3    HB2  GLU  45           HB2      GLU  45   8.561 -10.009   7.770
    4    HB3  GLU  45           HB3      GLU  45   9.444 -10.593   6.371
    5    HG2  GLU  45           HG2      GLU  45   9.677  -8.354   5.520
    6    HG3  GLU  45           HG3      GLU  45   8.740  -7.721   6.869

  No H/Q in entry =           6
  In of MODEL   20
    1    H    ARG  46           H        ARG  46   5.641  -9.637   7.630
    2    HA   ARG  46           HA       ARG  46   4.525  -7.246   6.581
    3    HB2  ARG  46           HB2      ARG  46   3.235  -8.863   7.922
    4    HB3  ARG  46           HB3      ARG  46   4.236  -8.493   9.321
    5    HG2  ARG  46           HG2      ARG  46   3.386  -6.278   9.462
    6    HG3  ARG  46           HG3      ARG  46   2.582  -6.416   7.900
    7    HD2  ARG  46           HD2      ARG  46   0.929  -7.889   8.770
    8    HD3  ARG  46           HD3      ARG  46   1.865  -8.163  10.246
    9    HE   ARG  46           HE       ARG  46   1.431  -5.596  10.505
   10   HH11  ARG  46          HH11      ARG  46  -0.816  -8.021   9.320
   11   HH12  ARG  46          HH12      ARG  46  -2.216  -7.163   9.894
   12   HH21  ARG  46          HH21      ARG  46  -0.413  -4.493  11.264
   13   HH22  ARG  46          HH22      ARG  46  -1.996  -5.173  10.993

  No H/Q in entry =          13
  In of MODEL   20
    1    H    ILE  47           H        ILE  47   5.000  -5.186   6.983
    2    HA   ILE  47           HA       ILE  47   7.205  -4.531   8.767
    3    HB   ILE  47           HB       ILE  47   5.566  -2.739   6.963
    4   HG12  ILE  47          HG12      ILE  47   8.334  -3.824   6.496
    5   HG13  ILE  47          HG13      ILE  47   6.882  -4.529   5.788
    6   HG21  ILE  47          HG21      ILE  47   6.673  -1.567   8.823
    7   HG22  ILE  47          HG22      ILE  47   8.221  -2.236   8.308
    8   HG23  ILE  47          HG23      ILE  47   7.350  -1.114   7.257
    9   HD11  ILE  47          HD11      ILE  47   7.862  -1.718   5.347
   10   HD12  ILE  47          HD12      ILE  47   8.027  -3.063   4.218
   11   HD13  ILE  47          HD13      ILE  47   6.427  -2.445   4.624

  No H/Q in entry =          11
  In of MODEL   20
    1    H    GLU  48           H        GLU  48   6.979  -3.380  10.643
    2    HA   GLU  48           HA       GLU  48   4.236  -3.000  11.576
    3    HB2  GLU  48           HB2      GLU  48   5.638  -2.406  13.768
    4    HB3  GLU  48           HB3      GLU  48   5.201  -4.051  13.344
    5    HG2  GLU  48           HG2      GLU  48   7.810  -2.899  12.474
    6    HG3  GLU  48           HG3      GLU  48   7.595  -3.528  14.102

  No H/Q in entry =           6
  In of MODEL   20
    1    H    LYS  49           H        LYS  49   7.229  -1.195  11.033
    2    HA   LYS  49           HA       LYS  49   6.491   1.261  12.013
    3    HB2  LYS  49           HB2      LYS  49   8.000   1.028   9.432
    4    HB3  LYS  49           HB3      LYS  49   8.225   2.183  10.742
    5    HG2  LYS  49           HG2      LYS  49   8.724  -0.190  11.998
    6    HG3  LYS  49           HG3      LYS  49   9.346  -0.486  10.374
    7    HD2  LYS  49           HD2      LYS  49  11.172   0.355  11.568
    8    HD3  LYS  49           HD3      LYS  49  10.596   1.721  10.616
    9    HE2  LYS  49           HE2      LYS  49   9.785   1.248  13.476
   10    HE3  LYS  49           HE3      LYS  49  11.200   2.197  13.028
   11    HZ1  LYS  49           HZ1      LYS  49   9.691   3.644  11.723
   12    HZ2  LYS  49           HZ2      LYS  49   8.369   2.791  12.358
   13    HZ3  LYS  49           HZ3      LYS  49   9.381   3.667  13.387

  No H/Q in entry =          13
  In of MODEL   20
    1    H    VAL  50           H        VAL  50   4.891  -0.367   9.579
    2    HA   VAL  50           HA       VAL  50   4.051   1.743   7.906
    3    HB   VAL  50           HB       VAL  50   2.561  -0.777   8.639
    4   HG11  VAL  50          HG11      VAL  50   1.155   0.985   7.612
    5   HG12  VAL  50          HG12      VAL  50   2.255   1.012   6.229
    6   HG13  VAL  50          HG13      VAL  50   1.326  -0.445   6.583
    7   HG21  VAL  50          HG21      VAL  50   4.785  -1.235   7.750
    8   HG22  VAL  50          HG22      VAL  50   3.532  -1.706   6.609
    9   HG23  VAL  50          HG23      VAL  50   4.438  -0.219   6.349

  No H/Q in entry =           9
  In of MODEL   20
    1    H    GLU  51           H        GLU  51   2.486   3.225   8.097
    2    HA   GLU  51           HA       GLU  51   0.704   3.042  10.420
    3    HB2  GLU  51           HB2      GLU  51   2.028   5.578   9.446
    4    HB3  GLU  51           HB3      GLU  51   0.896   5.443  10.787
    5    HG2  GLU  51           HG2      GLU  51   2.526   3.952  11.922
    6    HG3  GLU  51           HG3      GLU  51   3.669   4.300  10.627

  No H/Q in entry =           6
  In of MODEL   20
    1    H    HIS  52           H        HIS  52  -1.334   3.654  10.099
    2    HA   HIS  52           HA       HIS  52  -2.018   4.810   7.465
    3    HB2  HIS  52           HB2      HIS  52  -3.021   2.663   7.344
    4    HB3  HIS  52           HB3      HIS  52  -3.592   2.713   8.994
    5    HD2  HIS  52           HD2      HIS  52  -4.421   4.952   5.851
    6    HE1  HIS  52           HE1      HIS  52  -7.947   3.911   7.946
    7    HE2  HIS  52           HE2      HIS  52  -6.968   5.388   6.136

  No H/Q in entry =           7
  In of MODEL   20
    1    H    SER  53           H        SER  53  -3.123   6.566   7.449
    2    HA   SER  53           HA       SER  53  -3.472   8.063   9.885
    3    HB2  SER  53           HB2      SER  53  -2.677   9.048   7.715
    4    HB3  SER  53           HB3      SER  53  -4.300   8.818   7.067
    5    HG   SER  53           HG       SER  53  -4.071  10.922   7.834

  No H/Q in entry =           5
  In of MODEL   20
    1    H    ASP  54           H        ASP  54  -5.639   9.445   9.988
    2    HA   ASP  54           HA       ASP  54  -7.699   7.615  10.642
    3    HB2  ASP  54           HB2      ASP  54  -7.510   9.764  11.782
    4    HB3  ASP  54           HB3      ASP  54  -7.819  10.616  10.273

  No H/Q in entry =           4
  In of MODEL   20
    1    H    LEU  55           H        LEU  55  -8.704   6.444   9.186
    2    HA   LEU  55           HA       LEU  55  -9.000   5.850   6.881
    3    HB2  LEU  55           HB2      LEU  55 -10.997   5.967   8.577
    4    HB3  LEU  55           HB3      LEU  55 -11.564   7.233   7.514
    5    HG   LEU  55           HG       LEU  55 -12.571   5.011   7.061
    6   HD11  LEU  55          HD11      LEU  55 -10.901   6.124   4.818
    7   HD12  LEU  55          HD12      LEU  55 -12.270   5.027   4.633
    8   HD13  LEU  55          HD13      LEU  55 -12.520   6.647   5.283
    9   HD21  LEU  55          HD21      LEU  55 -10.663   3.614   7.606
   10   HD22  LEU  55          HD22      LEU  55 -11.233   3.286   5.971
   11   HD23  LEU  55          HD23      LEU  55  -9.780   4.254   6.219

  No H/Q in entry =          11
  In of MODEL   20
    1    H    SER  56           H        SER  56 -11.253   8.478   6.721
    2    HA   SER  56           HA       SER  56  -9.871  10.385   5.263
    3    HB2  SER  56           HB2      SER  56  -9.657   8.378   3.656
    4    HB3  SER  56           HB3      SER  56 -11.390   8.557   3.392
    5    HG   SER  56           HG       SER  56  -9.278  10.190   2.599

  No H/Q in entry =           5
  In of MODEL   20
    1    H    PHE  57           H        PHE  57 -11.487  11.711   3.916
    2    HA   PHE  57           HA       PHE  57 -14.194  11.424   5.032
    3    HB2  PHE  57           HB2      PHE  57 -14.448  13.865   4.874
    4    HB3  PHE  57           HB3      PHE  57 -13.105  13.437   5.924
    5    HD1  PHE  57           HD1      PHE  57 -10.752  13.565   4.944
    6    HD2  PHE  57           HD2      PHE  57 -14.156  15.327   3.102
    7    HE1  PHE  57           HE1      PHE  57  -9.277  15.065   3.663
    8    HE2  PHE  57           HE2      PHE  57 -12.693  16.822   1.814
    9    HZ   PHE  57           HZ       PHE  57 -10.251  16.694   2.092

  No H/Q in entry =           9
  In of MODEL   20
    1    H    SER  58           H        SER  58 -15.832  11.307   3.617
    2    HA   SER  58           HA       SER  58 -15.297  10.697   0.926
    3    HB2  SER  58           HB2      SER  58 -17.284   9.893   2.217
    4    HB3  SER  58           HB3      SER  58 -17.959  11.519   2.116
    5    HG   SER  58           HG       SER  58 -18.781  10.801   0.313

  No H/Q in entry =           5
  In of MODEL   20
    1    H    LYS  59           H        LYS  59 -15.718  11.849  -0.969
    2    HA   LYS  59           HA       LYS  59 -15.941  14.751  -0.658
    3    HB2  LYS  59           HB2      LYS  59 -13.722  13.326  -2.128
    4    HB3  LYS  59           HB3      LYS  59 -14.067  15.041  -2.296
    5    HG2  LYS  59           HG2      LYS  59 -13.668  15.313   0.132
    6    HG3  LYS  59           HG3      LYS  59 -13.200  13.614   0.207
    7    HD2  LYS  59           HD2      LYS  59 -11.243  15.066   0.056
    8    HD3  LYS  59           HD3      LYS  59 -11.386  14.034  -1.370
    9    HE2  LYS  59           HE2      LYS  59 -10.781  16.310  -1.996
   10    HE3  LYS  59           HE3      LYS  59 -12.374  15.886  -2.616
   11    HZ1  LYS  59           HZ1      LYS  59 -13.358  17.097  -0.734
   12    HZ2  LYS  59           HZ2      LYS  59 -11.809  17.558  -0.222
   13    HZ3  LYS  59           HZ3      LYS  59 -12.403  18.100  -1.713

  No H/Q in entry =          13
  In of MODEL   20
    1    H    ASP  60           H        ASP  60 -15.107  12.641  -3.414
    2    HA   ASP  60           HA       ASP  60 -17.629  13.454  -4.676
    3    HB2  ASP  60           HB2      ASP  60 -14.884  13.291  -5.943
    4    HB3  ASP  60           HB3      ASP  60 -16.377  13.451  -6.859

  No H/Q in entry =           4
  In of MODEL   20
    1    H    TRP  61           H        TRP  61 -15.015  11.101  -4.481
    2    HA   TRP  61           HA       TRP  61 -16.733   9.127  -5.823
    3    HB2  TRP  61           HB2      TRP  61 -13.712   9.144  -5.615
    4    HB3  TRP  61           HB3      TRP  61 -14.689   7.996  -6.525
    5    HD1  TRP  61           HD1      TRP  61 -15.998   9.029  -8.717
    6    HE1  TRP  61           HE1      TRP  61 -15.286  10.925 -10.305
    7    HE3  TRP  61           HE3      TRP  61 -12.483  11.263  -5.766
    8    HZ2  TRP  61           HZ2      TRP  61 -13.468  13.081 -10.301
    9    HZ3  TRP  61           HZ3      TRP  61 -11.296  13.234  -6.617
   10    HH2  TRP  61           HH2      TRP  61 -11.787  14.134  -8.870

  No H/Q in entry =          10
  In of MODEL   20
    1    H    SER  62           H        SER  62 -14.986   6.956  -5.132
    2    HA   SER  62           HA       SER  62 -16.107   6.057  -2.747
    3    HB2  SER  62           HB2      SER  62 -13.626   5.188  -4.249
    4    HB3  SER  62           HB3      SER  62 -14.294   4.288  -2.882
    5    HG   SER  62           HG       SER  62 -15.442   4.781  -5.431

  No H/Q in entry =           5
  In of MODEL   20
    1    H    PHE  63           H        PHE  63 -15.022   5.466  -0.759
    2    HA   PHE  63           HA       PHE  63 -13.511   7.615   0.375
    3    HB2  PHE  63           HB2      PHE  63 -13.920   4.898   1.631
    4    HB3  PHE  63           HB3      PHE  63 -13.703   6.443   2.440
    5    HD1  PHE  63           HD1      PHE  63 -16.077   4.355   0.541
    6    HD2  PHE  63           HD2      PHE  63 -15.576   7.867   2.907
    7    HE1  PHE  63           HE1      PHE  63 -18.521   4.546   0.767
    8    HE2  PHE  63           HE2      PHE  63 -18.032   8.060   3.134
    9    HZ   PHE  63           HZ       PHE  63 -19.494   6.399   2.059

  No H/Q in entry =           9
  In of MODEL   20
    1    H    TYR  64           H        TYR  64 -11.385   7.520   1.197
    2    HA   TYR  64           HA       TYR  64  -9.695   5.635  -0.306
    3    HB2  TYR  64           HB2      TYR  64  -8.768   8.290   0.780
    4    HB3  TYR  64           HB3      TYR  64  -8.070   7.341  -0.525
    5    HD1  TYR  64           HD1      TYR  64 -10.190  10.055   0.292
    6    HD2  TYR  64           HD2      TYR  64  -9.510   7.065  -2.657
    7    HE1  TYR  64           HE1      TYR  64 -11.451  11.389  -1.338
    8    HE2  TYR  64           HE2      TYR  64 -10.772   8.389  -4.300
    9    HH   TYR  64           HH       TYR  64 -12.447  10.134  -4.359

  No H/Q in entry =           9
  In of MODEL   20
    1    H    LEU  65           H        LEU  65  -7.940   4.649   0.744
    2    HA   LEU  65           HA       LEU  65  -7.472   5.339   3.539
    3    HB2  LEU  65           HB2      LEU  65  -9.001   3.561   3.775
    4    HB3  LEU  65           HB3      LEU  65  -8.239   2.616   2.507
    5    HG   LEU  65           HG       LEU  65  -6.701   3.171   5.026
    6   HD11  LEU  65          HD11      LEU  65  -9.065   2.460   5.574
    7   HD12  LEU  65          HD12      LEU  65  -8.696   0.945   4.753
    8   HD13  LEU  65          HD13      LEU  65  -7.781   1.420   6.180
    9   HD21  LEU  65          HD21      LEU  65  -5.705   1.997   3.062
   10   HD22  LEU  65          HD22      LEU  65  -5.739   1.030   4.537
   11   HD23  LEU  65          HD23      LEU  65  -6.927   0.735   3.260

  No H/Q in entry =          11
  In of MODEL   20
    1    H    LEU  66           H        LEU  66  -5.398   5.321   4.089
    2    HA   LEU  66           HA       LEU  66  -3.525   4.609   1.940
    3    HB2  LEU  66           HB2      LEU  66  -4.169   7.102   2.462
    4    HB3  LEU  66           HB3      LEU  66  -3.038   6.906   3.772
    5    HG   LEU  66           HG       LEU  66  -2.393   6.561   0.863
    6   HD11  LEU  66          HD11      LEU  66  -2.812   8.892   1.469
    7   HD12  LEU  66          HD12      LEU  66  -1.651   8.756   2.788
    8   HD13  LEU  66          HD13      LEU  66  -1.106   8.622   1.116
    9   HD21  LEU  66          HD21      LEU  66  -0.664   6.383   3.299
   10   HD22  LEU  66          HD22      LEU  66  -0.963   5.135   2.096
   11   HD23  LEU  66          HD23      LEU  66  -0.034   6.571   1.666

  No H/Q in entry =          11
  In of MODEL   20
    1    H    TYR  67           H        TYR  67  -2.033   3.213   2.526
    2    HA   TYR  67           HA       TYR  67  -1.151   3.158   5.337
    3    HB2  TYR  67           HB2      TYR  67  -1.718   0.965   3.416
    4    HB3  TYR  67           HB3      TYR  67  -0.331   0.758   4.476
    5    HD1  TYR  67           HD1      TYR  67  -0.640   0.636   6.918
    6    HD2  TYR  67           HD2      TYR  67  -3.961   0.791   4.259
    7    HE1  TYR  67           HE1      TYR  67  -2.104  -0.212   8.706
    8    HE2  TYR  67           HE2      TYR  67  -5.415  -0.070   6.023
    9    HH   TYR  67           HH       TYR  67  -5.144  -1.446   8.182

  No H/Q in entry =           9
  In of MODEL   20
    1    H    TYR  68           H        TYR  68   0.817   3.963   5.592
    2    HA   TYR  68           HA       TYR  68   2.769   3.524   3.429
    3    HB2  TYR  68           HB2      TYR  68   3.534   5.844   3.529
    4    HB3  TYR  68           HB3      TYR  68   1.824   5.782   3.109
    5    HD1  TYR  68           HD1      TYR  68   4.285   6.775   5.611
    6    HD2  TYR  68           HD2      TYR  68   0.137   6.605   4.688
    7    HE1  TYR  68           HE1      TYR  68   3.828   8.375   7.416
    8    HE2  TYR  68           HE2      TYR  68  -0.337   8.205   6.495
    9    HH   TYR  68           HH       TYR  68   2.117  10.007   8.028

  No H/Q in entry =           9
  In of MODEL   20
    1    H    THR  69           H        THR  69   5.006   3.989   4.041
    2    HA   THR  69           HA       THR  69   5.590   4.120   6.877
    3    HB   THR  69           HB       THR  69   5.257   1.668   6.428
    4    HG1  THR  69           HG1      THR  69   6.683   2.425   8.083
    5   HG21  THR  69          HG21      THR  69   7.626   2.076   4.601
    6   HG22  THR  69          HG22      THR  69   7.126   0.502   5.219
    7   HG23  THR  69          HG23      THR  69   6.038   1.424   4.185

  No H/Q in entry =           7
  In of MODEL   20
    1    H    GLU  70           H        GLU  70   7.586   4.999   7.245
    2    HA   GLU  70           HA       GLU  70   9.026   6.036   4.994
    3    HB2  GLU  70           HB2      GLU  70   9.807   6.140   7.911
    4    HB3  GLU  70           HB3      GLU  70  10.288   7.250   6.630
    5    HG2  GLU  70           HG2      GLU  70   7.965   7.912   6.376
    6    HG3  GLU  70           HG3      GLU  70   7.549   6.890   7.740

  No H/Q in entry =           6
  In of MODEL   20
    1    H    PHE  71           H        PHE  71  10.958   5.344   4.246
    2    HA   PHE  71           HA       PHE  71  12.204   3.097   5.545
    3    HB2  PHE  71           HB2      PHE  71  12.058   1.574   3.631
    4    HB3  PHE  71           HB3      PHE  71  10.452   2.002   4.200
    5    HD1  PHE  71           HD1      PHE  71  11.030   0.782   1.550
    6    HD2  PHE  71           HD2      PHE  71  10.797   4.844   2.758
    7    HE1  PHE  71           HE1      PHE  71  10.406   1.420  -0.746
    8    HE2  PHE  71           HE2      PHE  71  10.173   5.502   0.469
    9    HZ   PHE  71           HZ       PHE  71   9.979   3.787  -1.301

  No H/Q in entry =           9
  In of MODEL   20
    1    H    THR  72           H        THR  72  14.261   2.486   4.525
    2    HA   THR  72           HA       THR  72  15.371   4.567   2.779
    3    HB   THR  72           HB       THR  72  16.894   2.865   4.772
    4    HG1  THR  72           HG1      THR  72  17.071   5.197   5.689
    5   HG21  THR  72          HG21      THR  72  17.724   5.282   3.150
    6   HG22  THR  72          HG22      THR  72  18.719   4.463   4.357
    7   HG23  THR  72          HG23      THR  72  18.250   3.618   2.881

  No H/Q in entry =           7
  In of MODEL   20
    1    HA   PRO  73           HA       PRO  73  14.900   0.643   0.314
    2    HB2  PRO  73           HB2      PRO  73  15.602   2.119  -2.012
    3    HB3  PRO  73           HB3      PRO  73  13.975   1.645  -1.504
    4    HG2  PRO  73           HG2      PRO  73  15.392   4.232  -1.182
    5    HG3  PRO  73           HG3      PRO  73  13.656   3.923  -1.365
    6    HD2  PRO  73           HD2      PRO  73  14.722   4.616   1.009
    7    HD3  PRO  73           HD3      PRO  73  13.372   3.461   0.892

  No H/Q in entry =           7
  In of MODEL   20
    1    H    THR  74           H        THR  74  16.352  -0.724  -0.555
    2    HA   THR  74           HA       THR  74  19.103   0.158  -0.953
    3    HB   THR  74           HB       THR  74  20.010  -1.743   0.277
    4    HG1  THR  74           HG1      THR  74  18.246  -2.807   1.697
    5   HG21  THR  74          HG21      THR  74  19.624   0.320   1.547
    6   HG22  THR  74          HG22      THR  74  18.012  -0.255   1.978
    7   HG23  THR  74          HG23      THR  74  19.439  -1.110   2.562

  No H/Q in entry =           7
  In of MODEL   20
    1    H    GLU  75           H        GLU  75  20.371  -1.573  -2.129
    2    HA   GLU  75           HA       GLU  75  18.989  -2.520  -4.387
    3    HB2  GLU  75           HB2      GLU  75  21.635  -2.250  -3.602
    4    HB3  GLU  75           HB3      GLU  75  21.449  -3.976  -3.785
    5    HG2  GLU  75           HG2      GLU  75  22.188  -3.311  -5.827
    6    HG3  GLU  75           HG3      GLU  75  20.450  -3.337  -6.057

  No H/Q in entry =           6
  In of MODEL   20
    1    H    LYS  76           H        LYS  76  19.972  -4.056  -1.409
    2    HA   LYS  76           HA       LYS  76  19.266  -6.686  -2.293
    3    HB2  LYS  76           HB2      LYS  76  20.410  -5.640   0.278
    4    HB3  LYS  76           HB3      LYS  76  20.047  -7.340   0.002
    5    HG2  LYS  76           HG2      LYS  76  22.085  -5.632  -1.404
    6    HG3  LYS  76           HG3      LYS  76  22.330  -7.152  -0.526
    7    HD2  LYS  76           HD2      LYS  76  21.246  -8.402  -2.208
    8    HD3  LYS  76           HD3      LYS  76  20.607  -6.942  -2.967
    9    HE2  LYS  76           HE2      LYS  76  22.976  -6.288  -3.475
   10    HE3  LYS  76           HE3      LYS  76  23.470  -7.884  -2.906
   11    HZ1  LYS  76           HZ1      LYS  76  21.528  -7.421  -5.104
   12    HZ2  LYS  76           HZ2      LYS  76  23.172  -7.749  -5.345
   13    HZ3  LYS  76           HZ3      LYS  76  22.172  -8.910  -4.619

  No H/Q in entry =          13
  In of MODEL   20
    1    H    ASP  77           H        ASP  77  17.650  -4.245  -0.338
    2    HA   ASP  77           HA       ASP  77  15.899  -6.305   0.765
    3    HB2  ASP  77           HB2      ASP  77  16.578  -3.654   1.577
    4    HB3  ASP  77           HB3      ASP  77  14.833  -3.743   1.328

  No H/Q in entry =           4
  In of MODEL   20
    1    H    GLU  78           H        GLU  78  13.452  -5.601   0.758
    2    HA   GLU  78           HA       GLU  78  12.563  -4.734  -1.867
    3    HB2  GLU  78           HB2      GLU  78  13.161  -7.021  -2.338
    4    HB3  GLU  78           HB3      GLU  78  12.339  -7.589  -0.902
    5    HG2  GLU  78           HG2      GLU  78  10.748  -8.132  -2.386
    6    HG3  GLU  78           HG3      GLU  78  10.276  -6.447  -2.175

  No H/Q in entry =           6
  In of MODEL   20
    1    H    TYR  79           H        TYR  79  10.412  -4.092  -1.783
    2    HA   TYR  79           HA       TYR  79   8.987  -4.579   0.720
    3    HB2  TYR  79           HB2      TYR  79   8.750  -1.932  -0.707
    4    HB3  TYR  79           HB3      TYR  79   8.297  -2.351   0.948
    5    HD1  TYR  79           HD1      TYR  79   9.781  -2.080   2.727
    6    HD2  TYR  79           HD2      TYR  79  11.227  -1.752  -1.257
    7    HE1  TYR  79           HE1      TYR  79  11.914  -1.218   3.579
    8    HE2  TYR  79           HE2      TYR  79  13.373  -0.897  -0.416
    9    HH   TYR  79           HH       TYR  79  14.277  -1.086   2.834

  No H/Q in entry =           9
  In of MODEL   20
    1    H    ALA  80           H        ALA  80   6.772  -4.738   0.612
    2    HA   ALA  80           HA       ALA  80   5.586  -4.730  -2.079
    3    HB1  ALA  80           HB1      ALA  80   6.383  -6.998  -1.770
    4    HB2  ALA  80           HB2      ALA  80   4.619  -6.956  -1.754
    5    HB3  ALA  80           HB3      ALA  80   5.510  -7.112  -0.239

  No H/Q in entry =           5
  In of MODEL   20
    1    H    CYS  81           H        CYS  81   3.191  -4.952  -2.033
    2    HA   CYS  81           HA       CYS  81   2.070  -3.889   0.480
    3    HB2  CYS  81           HB2      CYS  81   1.584  -3.269  -2.390
    4    HB3  CYS  81           HB3      CYS  81   0.187  -3.257  -1.320

  No H/Q in entry =           4
  In of MODEL   20
    1    H    ARG  82           H        ARG  82   0.524  -5.076   1.455
    2    HA   ARG  82           HA       ARG  82  -0.694  -7.322  -0.047
    3    HB2  ARG  82           HB2      ARG  82   0.865  -7.815   1.981
    4    HB3  ARG  82           HB3      ARG  82  -0.454  -7.177   2.940
    5    HG2  ARG  82           HG2      ARG  82  -1.955  -8.888   1.995
    6    HG3  ARG  82           HG3      ARG  82  -0.573  -9.577   1.136
    7    HD2  ARG  82           HD2      ARG  82  -0.367  -9.155   4.085
    8    HD3  ARG  82           HD3      ARG  82  -1.292 -10.527   3.496
    9    HE   ARG  82           HE       ARG  82   0.867 -11.058   2.224
   10   HH11  ARG  82          HH11      ARG  82   0.876  -9.326   5.262
   11   HH12  ARG  82          HH12      ARG  82   2.266 -10.179   5.887
   12   HH21  ARG  82          HH21      ARG  82   2.711 -12.163   3.026
   13   HH22  ARG  82          HH22      ARG  82   3.318 -11.758   4.606

  No H/Q in entry =          13
  In of MODEL   20
    1    H    VAL  83           H        VAL  83  -2.930  -7.362  -0.096
    2    HA   VAL  83           HA       VAL  83  -4.325  -5.823   1.992
    3    HB   VAL  83           HB       VAL  83  -5.832  -4.753   0.633
    4   HG11  VAL  83          HG11      VAL  83  -3.283  -4.854  -0.922
    5   HG12  VAL  83          HG12      VAL  83  -4.578  -3.683  -1.186
    6   HG13  VAL  83          HG13      VAL  83  -3.729  -3.728   0.358
    7   HG21  VAL  83          HG21      VAL  83  -5.118  -6.608  -1.629
    8   HG22  VAL  83          HG22      VAL  83  -6.593  -6.649  -0.662
    9   HG23  VAL  83          HG23      VAL  83  -6.268  -5.273  -1.719

  No H/Q in entry =           9
  In of MODEL   20
    1    H    ASN  84           H        ASN  84  -6.151  -6.657   2.749
    2    HA   ASN  84           HA       ASN  84  -6.909  -9.316   1.773
    3    HB2  ASN  84           HB2      ASN  84  -7.235  -8.230   4.589
    4    HB3  ASN  84           HB3      ASN  84  -7.551  -9.873   4.061
    5   HD21  ASN  84          HD21      ASN  84  -4.970  -7.488   4.440
    6   HD22  ASN  84          HD22      ASN  84  -3.707  -8.634   4.734

  No H/Q in entry =           6
  In of MODEL   20
    1    H    HIS  85           H        HIS  85  -8.891  -9.327   0.767
    2    HA   HIS  85           HA       HIS  85 -11.079  -8.078   2.218
    3    HB2  HIS  85           HB2      HIS  85 -10.176  -6.605   0.245
    4    HB3  HIS  85           HB3      HIS  85 -10.970  -7.801  -0.773
    5    HD2  HIS  85           HD2      HIS  85 -12.004  -5.242   2.051
    6    HE1  HIS  85           HE1      HIS  85 -15.294  -6.057  -0.488
    7    HE2  HIS  85           HE2      HIS  85 -14.397  -4.528   1.320

  No H/Q in entry =           7
  In of MODEL   20
    1    H    VAL  86           H        VAL  86 -13.195  -8.991   1.384
    2    HA   VAL  86           HA       VAL  86 -12.941 -11.816   1.236
    3    HB   VAL  86           HB       VAL  86 -15.369 -11.888   1.053
    4   HG11  VAL  86          HG11      VAL  86 -14.374 -11.541   3.251
    5   HG12  VAL  86          HG12      VAL  86 -14.457  -9.792   3.019
    6   HG13  VAL  86          HG13      VAL  86 -15.941 -10.742   3.123
    7   HG21  VAL  86          HG21      VAL  86 -15.662 -10.005  -0.495
    8   HG22  VAL  86          HG22      VAL  86 -16.718  -9.873   0.914
    9   HG23  VAL  86          HG23      VAL  86 -15.263  -8.883   0.804

  No H/Q in entry =           9
  In of MODEL   20
    1    H    THR  87           H        THR  87 -13.126  -9.326  -1.141
    2    HA   THR  87           HA       THR  87 -14.332 -10.755  -3.239
    3    HB   THR  87           HB       THR  87 -13.193  -8.967  -4.642
    4    HG1  THR  87           HG1      THR  87 -12.703  -7.462  -2.383
    5   HG21  THR  87          HG21      THR  87 -14.965  -8.225  -2.328
    6   HG22  THR  87          HG22      THR  87 -14.587  -7.123  -3.650
    7   HG23  THR  87          HG23      THR  87 -15.459  -8.627  -3.975

  No H/Q in entry =           7
  In of MODEL   20
    1    H    LEU  88           H        LEU  88 -10.974 -10.033  -2.471
    2    HA   LEU  88           HA       LEU  88  -9.901 -11.163  -4.814
    3    HB2  LEU  88           HB2      LEU  88  -8.619 -10.662  -2.125
    4    HB3  LEU  88           HB3      LEU  88  -7.730 -11.163  -3.551
    5    HG   LEU  88           HG       LEU  88  -9.221  -8.565  -3.171
    6   HD11  LEU  88          HD11      LEU  88  -6.283  -9.183  -3.519
    7   HD12  LEU  88          HD12      LEU  88  -6.994  -7.562  -3.440
    8   HD13  LEU  88          HD13      LEU  88  -7.072  -8.636  -2.031
    9   HD21  LEU  88          HD21      LEU  88  -7.772  -9.614  -5.597
   10   HD22  LEU  88          HD22      LEU  88  -9.508  -9.331  -5.452
   11   HD23  LEU  88          HD23      LEU  88  -8.384  -7.972  -5.401

  No H/Q in entry =          11
  In of MODEL   20
    1    H    SER  89           H        SER  89 -10.926 -12.472  -1.818
    2    HA   SER  89           HA       SER  89 -11.162 -14.517  -0.939
    3    HB2  SER  89           HB2      SER  89 -11.498 -16.406  -2.338
    4    HB3  SER  89           HB3      SER  89 -12.087 -15.014  -3.241
    5    HG   SER  89           HG       SER  89  -9.784 -15.064  -4.125

  No H/Q in entry =           5
  In of MODEL   20
    1    H    GLN  90           H        GLN  90  -8.269 -13.614  -2.433
    2    HA   GLN  90           HA       GLN  90  -6.746 -15.137  -0.489
    3    HB2  GLN  90           HB2      GLN  90  -5.665 -14.805  -3.272
    4    HB3  GLN  90           HB3      GLN  90  -5.167 -15.939  -2.034
    5    HG2  GLN  90           HG2      GLN  90  -7.007 -17.354  -2.441
    6    HG3  GLN  90           HG3      GLN  90  -7.813 -16.130  -3.430
    7   HE21  GLN  90          HE21      GLN  90  -7.977 -17.502  -5.196
    8   HE22  GLN  90          HE22      GLN  90  -6.602 -17.939  -6.152

  No H/Q in entry =           8
  In of MODEL   20
    1    HA   PRO  91           HA       PRO  91  -5.664 -10.757   0.003
    2    HB2  PRO  91           HB2      PRO  91  -3.333 -12.118   1.315
    3    HB3  PRO  91           HB3      PRO  91  -4.263 -10.689   1.826
    4    HG2  PRO  91           HG2      PRO  91  -4.773 -12.996   2.978
    5    HG3  PRO  91           HG3      PRO  91  -6.120 -11.952   2.449
    6    HD2  PRO  91           HD2      PRO  91  -5.012 -14.446   1.152
    7    HD3  PRO  91           HD3      PRO  91  -6.720 -13.927   1.319

  No H/Q in entry =           7
  In of MODEL   20
    1    H    LYS  92           H        LYS  92  -4.302  -9.372  -1.000
    2    HA   LYS  92           HA       LYS  92  -2.866 -10.662  -3.201
    3    HB2  LYS  92           HB2      LYS  92  -4.836  -9.227  -3.741
    4    HB3  LYS  92           HB3      LYS  92  -3.956  -7.853  -3.085
    5    HG2  LYS  92           HG2      LYS  92  -3.729  -7.868  -5.472
    6    HG3  LYS  92           HG3      LYS  92  -2.169  -8.264  -4.727
    7    HD2  LYS  92           HD2      LYS  92  -2.480  -9.787  -6.530
    8    HD3  LYS  92           HD3      LYS  92  -2.739 -10.670  -5.024
    9    HE2  LYS  92           HE2      LYS  92  -4.416 -11.314  -6.621
   10    HE3  LYS  92           HE3      LYS  92  -5.164 -10.402  -5.315
   11    HZ1  LYS  92           HZ1      LYS  92  -5.160  -8.443  -6.755
   12    HZ2  LYS  92           HZ2      LYS  92  -4.473  -9.355  -8.007
   13    HZ3  LYS  92           HZ3      LYS  92  -6.031  -9.721  -7.447

  No H/Q in entry =          13
  In of MODEL   20
    1    H    ILE  93           H        ILE  93  -0.771 -10.435  -3.360
    2    HA   ILE  93           HA       ILE  93   0.530  -8.212  -1.940
    3    HB   ILE  93           HB       ILE  93   1.707 -10.840  -2.833
    4   HG12  ILE  93          HG12      ILE  93   2.252 -10.933  -0.296
    5   HG13  ILE  93          HG13      ILE  93   1.013  -9.701  -0.136
    6   HG21  ILE  93          HG21      ILE  93   3.294  -9.022  -3.170
    7   HG22  ILE  93          HG22      ILE  93   3.078  -8.525  -1.491
    8   HG23  ILE  93          HG23      ILE  93   3.807 -10.086  -1.857
    9   HD11  ILE  93          HD11      ILE  93   0.627 -12.454  -1.282
   10   HD12  ILE  93          HD12      ILE  93   0.147 -11.921   0.329
   11   HD13  ILE  93          HD13      ILE  93  -0.623 -11.226  -1.097

  No H/Q in entry =          11
  In of MODEL   20
    1    H    VAL  94           H        VAL  94   1.355  -6.679  -3.130
    2    HA   VAL  94           HA       VAL  94   2.277  -7.316  -5.840
    3    HB   VAL  94           HB       VAL  94   0.866  -4.778  -4.982
    4   HG11  VAL  94          HG11      VAL  94   2.129  -5.472  -7.635
    5   HG12  VAL  94          HG12      VAL  94   1.157  -4.040  -7.305
    6   HG13  VAL  94          HG13      VAL  94   2.707  -4.257  -6.494
    7   HG21  VAL  94          HG21      VAL  94  -0.644  -6.641  -5.417
    8   HG22  VAL  94          HG22      VAL  94  -0.786  -5.415  -6.677
    9   HG23  VAL  94          HG23      VAL  94   0.112  -6.900  -6.989

  No H/Q in entry =           9
  In of MODEL   20
    1    H    LYS  95           H        LYS  95   4.291  -6.789  -6.191
    2    HA   LYS  95           HA       LYS  95   5.819  -5.723  -3.974
    3    HB2  LYS  95           HB2      LYS  95   6.616  -6.820  -6.645
    4    HB3  LYS  95           HB3      LYS  95   7.769  -6.114  -5.523
    5    HG2  LYS  95           HG2      LYS  95   7.078  -7.794  -3.835
    6    HG3  LYS  95           HG3      LYS  95   6.086  -8.561  -5.081
    7    HD2  LYS  95           HD2      LYS  95   7.983  -9.032  -6.419
    8    HD3  LYS  95           HD3      LYS  95   9.022  -8.026  -5.412
    9    HE2  LYS  95           HE2      LYS  95   9.384 -10.409  -4.996
   10    HE3  LYS  95           HE3      LYS  95   8.768  -9.584  -3.565
   11    HZ1  LYS  95           HZ1      LYS  95   6.983 -11.036  -5.433
   12    HZ2  LYS  95           HZ2      LYS  95   7.754 -11.811  -4.136
   13    HZ3  LYS  95           HZ3      LYS  95   6.670 -10.549  -3.841

  No H/Q in entry =          13
  In of MODEL   20
    1    H    TRP  96           H        TRP  96   6.928  -3.855  -3.936
    2    HA   TRP  96           HA       TRP  96   5.771  -1.667  -5.283
    3    HB2  TRP  96           HB2      TRP  96   6.706  -1.321  -3.093
    4    HB3  TRP  96           HB3      TRP  96   8.298  -1.888  -3.602
    5    HD1  TRP  96           HD1      TRP  96   5.881   0.979  -4.655
    6    HE1  TRP  96           HE1      TRP  96   7.319   3.071  -5.088
    7    HE3  TRP  96           HE3      TRP  96  10.501  -0.994  -3.713
    8    HZ2  TRP  96           HZ2      TRP  96  10.037   3.795  -5.022
    9    HZ3  TRP  96           HZ3      TRP  96  12.472   0.458  -3.912
   10    HH2  TRP  96           HH2      TRP  96  12.238   2.821  -4.560

  No H/Q in entry =          10
  In of MODEL   20
    1    H    ASP  97           H        ASP  97   6.010  -1.248  -7.343
    2    HA   ASP  97           HA       ASP  97   8.423  -2.083  -8.718
    3    HB2  ASP  97           HB2      ASP  97   7.205  -1.567 -10.780
    4    HB3  ASP  97           HB3      ASP  97   6.275  -2.657  -9.760

  No H/Q in entry =           4
  In of MODEL   20
    1    H    ARG  98           H        ARG  98  10.066  -0.780  -8.801
    2    HA   ARG  98           HA       ARG  98   9.580   2.069  -9.183
    3    HB2  ARG  98           HB2      ARG  98  11.895   2.393  -8.593
    4    HB3  ARG  98           HB3      ARG  98  11.150   1.362  -7.403
    5    HG2  ARG  98           HG2      ARG  98  12.975   0.116  -7.622
    6    HG3  ARG  98           HG3      ARG  98  12.208  -0.469  -9.098
    7    HD2  ARG  98           HD2      ARG  98  14.540   0.202  -9.471
    8    HD3  ARG  98           HD3      ARG  98  13.413   1.174 -10.412
    9    HE   ARG  98           HE       ARG  98  14.451   2.203  -7.868
   10   HH11  ARG  98          HH11      ARG  98  14.221   2.390 -11.359
   11   HH12  ARG  98          HH12      ARG  98  14.893   3.994 -11.450
   12   HH21  ARG  98          HH21      ARG  98  15.392   4.305  -7.988
   13   HH22  ARG  98          HH22      ARG  98  15.577   5.064  -9.533

  No H/Q in entry =          13
  In of MODEL   20
    1    H    ASP  99           H        ASP  99  11.075  -0.743 -10.648
    2    HA   ASP  99           HA       ASP  99  10.931   0.627 -13.259
    3    HB2  ASP  99           HB2      ASP  99  13.048  -1.300 -12.297
    4    HB3  ASP  99           HB3      ASP  99  12.838  -0.859 -13.984

  No H/Q in entry =           4
  In of MODEL   20
    1    H    MET 100           H        MET 100   9.760  -1.725 -11.340
    2    HA   MET 100           HA       MET 100   9.844  -4.041 -12.976
    3    HB2  MET 100           HB2      MET 100   7.755  -3.463 -10.868
    4    HB3  MET 100           HB3      MET 100   8.321  -5.031 -11.423
    5    HG2  MET 100           HG2      MET 100   9.915  -3.034  -9.837
    6    HG3  MET 100           HG3      MET 100   9.165  -4.499  -9.211
    7    HE1  MET 100           HE1      MET 100  11.444  -5.199  -8.125
    8    HE2  MET 100           HE2      MET 100  12.962  -5.354  -9.010
    9    HE3  MET 100           HE3      MET 100  12.245  -3.763  -8.761

  No H/Q in entry =           9
  In of MODEL   21
    1    HA   ILE   2           HA       ILE   2 -21.799  -8.767  -3.607
    2    HB   ILE   2           HB       ILE   2 -22.351  -6.783  -5.123
    3   HG12  ILE   2          HG12      ILE   2 -24.821  -6.067  -4.781
    4   HG13  ILE   2          HG13      ILE   2 -24.578  -6.559  -3.110
    5   HG21  ILE   2          HG21      ILE   2 -23.027  -9.059  -5.605
    6   HG22  ILE   2          HG22      ILE   2 -24.461  -8.866  -4.598
    7   HG23  ILE   2          HG23      ILE   2 -24.289  -7.924  -6.079
    8   HD11  ILE   2          HD11      ILE   2 -22.754  -4.943  -2.909
    9   HD12  ILE   2          HD12      ILE   2 -23.015  -4.448  -4.581
   10   HD13  ILE   2          HD13      ILE   2 -24.271  -4.173  -3.373

  No H/Q in entry =          10
  In of MODEL   21
    1    H    GLN   3           H        GLN   3 -20.255  -7.096  -4.567
    2    HA   GLN   3           HA       GLN   3 -19.431  -4.898  -3.026
    3    HB2  GLN   3           HB2      GLN   3 -18.930  -6.712  -1.342
    4    HB3  GLN   3           HB3      GLN   3 -17.817  -7.429  -2.499
    5    HG2  GLN   3           HG2      GLN   3 -16.673  -6.102  -0.786
    6    HG3  GLN   3           HG3      GLN   3 -16.398  -5.492  -2.415
    7   HE21  GLN   3          HE21      GLN   3 -19.314  -5.026  -0.529
    8   HE22  GLN   3          HE22      GLN   3 -19.145  -3.312  -0.359

  No H/Q in entry =           8
  In of MODEL   21
    1    H    ARG   4           H        ARG   4 -17.021  -4.372  -3.605
    2    HA   ARG   4           HA       ARG   4 -16.483  -5.281  -6.348
    3    HB2  ARG   4           HB2      ARG   4 -17.318  -3.110  -6.692
    4    HB3  ARG   4           HB3      ARG   4 -16.522  -2.481  -5.255
    5    HG2  ARG   4           HG2      ARG   4 -14.491  -2.247  -6.273
    6    HG3  ARG   4           HG3      ARG   4 -14.800  -3.542  -7.442
    7    HD2  ARG   4           HD2      ARG   4 -14.728  -1.342  -8.519
    8    HD3  ARG   4           HD3      ARG   4 -16.326  -2.074  -8.672
    9    HE   ARG   4           HE       ARG   4 -16.125  -0.342  -6.407
   10   HH11  ARG   4          HH11      ARG   4 -16.594  -0.448  -9.871
   11   HH12  ARG   4          HH12      ARG   4 -17.423   1.085  -9.941
   12   HH21  ARG   4          HH21      ARG   4 -17.216   1.680  -6.486
   13   HH22  ARG   4          HH22      ARG   4 -17.778   2.298  -8.010

  No H/Q in entry =          13
  In of MODEL   21
    1    H    THR   5           H        THR   5 -14.340  -5.560  -6.893
    2    HA   THR   5           HA       THR   5 -12.662  -6.305  -4.742
    3    HB   THR   5           HB       THR   5 -11.074  -7.013  -6.407
    4    HG1  THR   5           HG1      THR   5 -11.495  -4.978  -7.711
    5   HG21  THR   5          HG21      THR   5 -13.948  -7.479  -7.135
    6   HG22  THR   5          HG22      THR   5 -12.639  -8.209  -8.064
    7   HG23  THR   5          HG23      THR   5 -12.805  -8.572  -6.350

  No H/Q in entry =           7
  In of MODEL   21
    1    HA   PRO   6           HA       PRO   6 -10.639  -2.277  -4.345
    2    HB2  PRO   6           HB2      PRO   6  -9.009  -3.510  -2.282
    3    HB3  PRO   6           HB3      PRO   6 -10.215  -2.232  -2.118
    4    HG2  PRO   6           HG2      PRO   6 -10.525  -4.784  -1.143
    5    HG3  PRO   6           HG3      PRO   6 -11.873  -3.693  -1.544
    6    HD2  PRO   6           HD2      PRO   6 -10.767  -6.010  -3.083
    7    HD3  PRO   6           HD3      PRO   6 -12.441  -5.410  -2.964

  No H/Q in entry =           7
  In of MODEL   21
    1    H    LYS   7           H        LYS   7  -8.885  -1.687  -5.527
    2    HA   LYS   7           HA       LYS   7  -7.177  -3.867  -6.483
    3    HB2  LYS   7           HB2      LYS   7  -8.343  -2.504  -8.179
    4    HB3  LYS   7           HB3      LYS   7  -7.555  -1.057  -7.562
    5    HG2  LYS   7           HG2      LYS   7  -5.377  -1.989  -8.192
    6    HG3  LYS   7           HG3      LYS   7  -6.186  -3.412  -8.848
    7    HD2  LYS   7           HD2      LYS   7  -7.397  -1.970 -10.427
    8    HD3  LYS   7           HD3      LYS   7  -6.539  -0.569  -9.784
    9    HE2  LYS   7           HE2      LYS   7  -5.224  -2.961 -11.071
   10    HE3  LYS   7           HE3      LYS   7  -5.563  -1.435 -11.886
   11    HZ1  LYS   7           HZ1      LYS   7  -4.128  -0.314 -10.280
   12    HZ2  LYS   7           HZ2      LYS   7  -3.772  -1.800  -9.540
   13    HZ3  LYS   7           HZ3      LYS   7  -3.287  -1.505 -11.137

  No H/Q in entry =          13
  In of MODEL   21
    1    H    ILE   8           H        ILE   8  -4.934  -3.665  -6.574
    2    HA   ILE   8           HA       ILE   8  -3.823  -2.137  -4.352
    3    HB   ILE   8           HB       ILE   8  -2.660  -4.373  -6.036
    4   HG12  ILE   8          HG12      ILE   8  -2.579  -5.659  -4.007
    5   HG13  ILE   8          HG13      ILE   8  -3.053  -4.270  -3.052
    6   HG21  ILE   8          HG21      ILE   8  -1.320  -2.651  -3.986
    7   HG22  ILE   8          HG22      ILE   8  -0.713  -4.235  -4.464
    8   HG23  ILE   8          HG23      ILE   8  -0.834  -2.946  -5.657
    9   HD11  ILE   8          HD11      ILE   8  -4.808  -5.585  -5.091
   10   HD12  ILE   8          HD12      ILE   8  -4.808  -5.965  -3.366
   11   HD13  ILE   8          HD13      ILE   8  -5.263  -4.348  -3.916

  No H/Q in entry =          11
  In of MODEL   21
    1    H    GLN   9           H        GLN   9  -2.665  -0.347  -4.620
    2    HA   GLN   9           HA       GLN   9  -1.139   0.005  -7.105
    3    HB2  GLN   9           HB2      GLN   9  -2.817   2.069  -5.683
    4    HB3  GLN   9           HB3      GLN   9  -1.594   2.478  -6.896
    5    HG2  GLN   9           HG2      GLN   9  -2.798   1.351  -8.589
    6    HG3  GLN   9           HG3      GLN   9  -3.894   0.622  -7.416
    7   HE21  GLN   9          HE21      GLN   9  -5.685   1.406  -8.324
    8   HE22  GLN   9          HE22      GLN   9  -6.137   3.080  -8.317

  No H/Q in entry =           8
  In of MODEL   21
    1    H    VAL  10           H        VAL  10   0.959   0.081  -6.579
    2    HA   VAL  10           HA       VAL  10   1.679   1.185  -3.945
    3    HB   VAL  10           HB       VAL  10   3.326  -0.958  -5.250
    4   HG11  VAL  10          HG11      VAL  10   4.290   0.279  -3.377
    5   HG12  VAL  10          HG12      VAL  10   2.938  -0.219  -2.356
    6   HG13  VAL  10          HG13      VAL  10   4.059  -1.425  -2.988
    7   HG21  VAL  10          HG21      VAL  10   0.968  -1.508  -3.477
    8   HG22  VAL  10          HG22      VAL  10   1.139  -1.946  -5.174
    9   HG23  VAL  10          HG23      VAL  10   2.189  -2.690  -3.965

  No H/Q in entry =           9
  In of MODEL   21
    1    H    TYR  11           H        TYR  11   3.115   2.795  -4.022
    2    HA   TYR  11           HA       TYR  11   5.292   2.778  -5.871
    3    HB2  TYR  11           HB2      TYR  11   4.831   4.874  -7.019
    4    HB3  TYR  11           HB3      TYR  11   3.532   3.735  -7.327
    5    HD1  TYR  11           HD1      TYR  11   1.286   4.170  -6.510
    6    HD2  TYR  11           HD2      TYR  11   4.466   6.866  -5.669
    7    HE1  TYR  11           HE1      TYR  11  -0.350   5.890  -5.862
    8    HE2  TYR  11           HE2      TYR  11   2.844   8.590  -5.011
    9    HH   TYR  11           HH       TYR  11  -0.378   7.956  -4.389

  No H/Q in entry =           9
  In of MODEL   21
    1    H    SER  12           H        SER  12   6.675   4.789  -5.524
    2    HA   SER  12           HA       SER  12   6.750   5.256  -2.649
    3    HB2  SER  12           HB2      SER  12   8.824   4.602  -3.848
    4    HB3  SER  12           HB3      SER  12   8.731   6.097  -4.775
    5    HG   SER  12           HG       SER  12   9.885   5.771  -2.461

  No H/Q in entry =           5
  In of MODEL   21
    1    H    ARG  13           H        ARG  13   6.554   7.234  -1.666
    2    HA   ARG  13           HA       ARG  13   4.837   9.130  -2.871
    3    HB2  ARG  13           HB2      ARG  13   5.587   8.673  -0.357
    4    HB3  ARG  13           HB3      ARG  13   6.715   9.971  -0.688
    5    HG2  ARG  13           HG2      ARG  13   3.702  10.061  -0.624
    6    HG3  ARG  13           HG3      ARG  13   4.838  10.962   0.365
    7    HD2  ARG  13           HD2      ARG  13   4.875  12.654  -1.116
    8    HD3  ARG  13           HD3      ARG  13   5.205  11.532  -2.443
    9    HE   ARG  13           HE       ARG  13   2.463  11.732  -1.470
   10   HH11  ARG  13          HH11      ARG  13   4.820  12.395  -3.972
   11   HH12  ARG  13          HH12      ARG  13   3.642  12.942  -5.125
   12   HH21  ARG  13          HH21      ARG  13   0.903  12.445  -2.963
   13   HH22  ARG  13          HH22      ARG  13   1.399  12.953  -4.558

  No H/Q in entry =          13
  In of MODEL   21
    1    H    HIS  14           H        HIS  14   8.357   9.189  -2.440
    2    HA   HIS  14           HA       HIS  14   8.506  11.331  -4.458
    3    HB2  HIS  14           HB2      HIS  14  10.017  11.130  -1.846
    4    HB3  HIS  14           HB3      HIS  14  10.599  12.128  -3.167
    5    HD2  HIS  14           HD2      HIS  14   7.129  12.959  -3.542
    6    HE1  HIS  14           HE1      HIS  14   8.272  15.169  -0.119
    7    HE2  HIS  14           HE2      HIS  14   6.622  15.007  -2.030

  No H/Q in entry =           7
  In of MODEL   21
    1    HA   PRO  15           HA       PRO  15  11.855   9.052  -6.511
    2    HB2  PRO  15           HB2      PRO  15  14.250  10.308  -5.747
    3    HB3  PRO  15           HB3      PRO  15  13.284  10.674  -7.190
    4    HG2  PRO  15           HG2      PRO  15  13.358  12.102  -4.540
    5    HG3  PRO  15           HG3      PRO  15  13.103  12.759  -6.189
    6    HD2  PRO  15           HD2      PRO  15  11.062  12.457  -4.453
    7    HD3  PRO  15           HD3      PRO  15  10.851  12.184  -6.209

  No H/Q in entry =           7
  In of MODEL   21
    1    H    ALA  16           H        ALA  16  12.757   7.169  -6.016
    2    HA   ALA  16           HA       ALA  16  13.267   6.596  -3.195
    3    HB1  ALA  16           HB1      ALA  16  11.694   5.173  -4.399
    4    HB2  ALA  16           HB2      ALA  16  12.968   4.725  -5.532
    5    HB3  ALA  16           HB3      ALA  16  13.094   4.261  -3.836

  No H/Q in entry =           5
  In of MODEL   21
    1    H    GLU  17           H        GLU  17  15.336   6.829  -2.555
    2    HA   GLU  17           HA       GLU  17  17.456   6.025  -4.418
    3    HB2  GLU  17           HB2      GLU  17  17.264   8.203  -2.409
    4    HB3  GLU  17           HB3      GLU  17  18.814   7.382  -2.507
    5    HG2  GLU  17           HG2      GLU  17  18.831   9.326  -3.910
    6    HG3  GLU  17           HG3      GLU  17  18.936   7.862  -4.893

  No H/Q in entry =           6
  In of MODEL   21
    1    H    ASN  18           H        ASN  18  18.886   4.525  -3.904
    2    HA   ASN  18           HA       ASN  18  18.431   2.877  -1.592
    3    HB2  ASN  18           HB2      ASN  18  19.134   1.603  -3.382
    4    HB3  ASN  18           HB3      ASN  18  20.314   2.795  -3.925
    5   HD21  ASN  18          HD21      ASN  18  21.953   1.301  -4.105
    6   HD22  ASN  18          HD22      ASN  18  22.711   0.573  -2.730

  No H/Q in entry =           6
  In of MODEL   21
    1    H    GLY  19           H        GLY  19  19.257   3.055   0.310
    2    HA2  GLY  19           HA2      GLY  19  21.799   4.386   0.808
    3    HA3  GLY  19           HA3      GLY  19  20.757   3.613   2.015

  No H/Q in entry =           3
  In of MODEL   21
    1    H    LYS  20           H        LYS  20  18.502   5.216   0.609
    2    HA   LYS  20           HA       LYS  20  18.966   7.729   2.047
    3    HB2  LYS  20           HB2      LYS  20  19.365   8.061  -0.319
    4    HB3  LYS  20           HB3      LYS  20  17.845   7.303  -0.711
    5    HG2  LYS  20           HG2      LYS  20  17.947   9.830   0.893
    6    HG3  LYS  20           HG3      LYS  20  18.037   9.850  -0.848
    7    HD2  LYS  20           HD2      LYS  20  15.920   8.389  -0.726
    8    HD3  LYS  20           HD3      LYS  20  15.802   9.052   0.882
    9    HE2  LYS  20           HE2      LYS  20  14.472  10.401  -0.653
   10    HE3  LYS  20           HE3      LYS  20  15.829  11.340  -0.026
   11    HZ1  LYS  20           HZ1      LYS  20  15.728  10.013  -2.696
   12    HZ2  LYS  20           HZ2      LYS  20  15.529  11.668  -2.399
   13    HZ3  LYS  20           HZ3      LYS  20  17.020  10.929  -2.092

  No H/Q in entry =          13
  In of MODEL   21
    1    H    SER  21           H        SER  21  17.102   8.696   2.911
    2    HA   SER  21           HA       SER  21  15.204   6.710   3.751
    3    HB2  SER  21           HB2      SER  21  16.015   8.292   5.408
    4    HB3  SER  21           HB3      SER  21  15.443   9.635   4.428
    5    HG   SER  21           HG       SER  21  14.088   8.840   6.277

  No H/Q in entry =           5
  In of MODEL   21
    1    H    ASN  22           H        ASN  22  13.153   6.458   3.094
    2    HA   ASN  22           HA       ASN  22  12.153   8.274   1.015
    3    HB2  ASN  22           HB2      ASN  22  13.487   6.160   0.161
    4    HB3  ASN  22           HB3      ASN  22  12.110   5.252   0.754
    5   HD21  ASN  22          HD21      ASN  22  11.703   8.425  -0.743
    6   HD22  ASN  22          HD22      ASN  22  10.958   7.798  -2.177

  No H/Q in entry =           6
  In of MODEL   21
    1    H    PHE  23           H        PHE  23   9.791   7.835   0.598
    2    HA   PHE  23           HA       PHE  23   8.494   6.698   2.990
    3    HB2  PHE  23           HB2      PHE  23   7.736   9.096   1.327
    4    HB3  PHE  23           HB3      PHE  23   6.607   8.318   2.423
    5    HD1  PHE  23           HD1      PHE  23   6.408   9.149   4.540
    6    HD2  PHE  23           HD2      PHE  23  10.026   9.823   2.406
    7    HE1  PHE  23           HE1      PHE  23   7.206  10.597   6.364
    8    HE2  PHE  23           HE2      PHE  23  10.838  11.265   4.226
    9    HZ   PHE  23           HZ       PHE  23   9.430  11.638   6.215

  No H/Q in entry =           9
  In of MODEL   21
    1    H    LEU  24           H        LEU  24   7.363   4.911   2.520
    2    HA   LEU  24           HA       LEU  24   6.790   4.188  -0.218
    3    HB2  LEU  24           HB2      LEU  24   7.149   2.823   2.150
    4    HB3  LEU  24           HB3      LEU  24   5.438   2.635   1.851
    5    HG   LEU  24           HG       LEU  24   7.727   1.723   0.078
    6   HD11  LEU  24          HD11      LEU  24   5.560   0.222   1.552
    7   HD12  LEU  24          HD12      LEU  24   6.767  -0.500   0.489
    8   HD13  LEU  24          HD13      LEU  24   7.269   0.285   1.986
    9   HD21  LEU  24          HD21      LEU  24   4.759   1.592  -0.487
   10   HD22  LEU  24          HD22      LEU  24   5.948   2.558  -1.364
   11   HD23  LEU  24          HD23      LEU  24   6.022   0.795  -1.425

  No H/Q in entry =          11
  In of MODEL   21
    1    H    ASN  25           H        ASN  25   4.656   3.686  -0.976
    2    HA   ASN  25           HA       ASN  25   2.458   4.847   0.538
    3    HB2  ASN  25           HB2      ASN  25   3.180   6.674  -0.881
    4    HB3  ASN  25           HB3      ASN  25   3.228   5.619  -2.288
    5   HD21  ASN  25          HD21      ASN  25   1.292   4.932  -3.214
    6   HD22  ASN  25          HD22      ASN  25  -0.191   5.773  -2.932

  No H/Q in entry =           6
  In of MODEL   21
    1    H    CYS  26           H        CYS  26   0.758   3.469   0.509
    2    HA   CYS  26           HA       CYS  26   0.350   1.872  -1.919
    3    HB2  CYS  26           HB2      CYS  26   1.227   0.525   0.122
    4    HB3  CYS  26           HB3      CYS  26  -0.411   0.743   0.755

  No H/Q in entry =           4
  In of MODEL   21
    1    H    TYR  27           H        TYR  27  -1.627   1.983  -2.747
    2    HA   TYR  27           HA       TYR  27  -3.680   3.449  -1.208
    3    HB2  TYR  27           HB2      TYR  27  -2.497   4.038  -3.843
    4    HB3  TYR  27           HB3      TYR  27  -4.250   4.028  -3.831
    5    HD1  TYR  27           HD1      TYR  27  -5.491   5.755  -2.614
    6    HD2  TYR  27           HD2      TYR  27  -1.241   5.766  -2.664
    7    HE1  TYR  27           HE1      TYR  27  -5.490   8.111  -1.914
    8    HE2  TYR  27           HE2      TYR  27  -1.235   8.115  -1.962
    9    HH   TYR  27           HH       TYR  27  -2.817  10.080  -2.147

  No H/Q in entry =           9
  In of MODEL   21
    1    H    VAL  28           H        VAL  28  -5.035   1.794  -0.742
    2    HA   VAL  28           HA       VAL  28  -5.853   0.054  -2.978
    3    HB   VAL  28           HB       VAL  28  -6.442  -0.513  -0.085
    4   HG11  VAL  28          HG11      VAL  28  -7.651  -1.762  -1.797
    5   HG12  VAL  28          HG12      VAL  28  -6.116  -2.267  -2.506
    6   HG13  VAL  28          HG13      VAL  28  -6.561  -2.809  -0.885
    7   HG21  VAL  28          HG21      VAL  28  -3.941  -1.262  -1.600
    8   HG22  VAL  28          HG22      VAL  28  -4.040  -0.234  -0.166
    9   HG23  VAL  28          HG23      VAL  28  -4.428  -1.952  -0.051

  No H/Q in entry =           9
  In of MODEL   21
    1    H    SER  29           H        SER  29  -7.696   0.736  -3.876
    2    HA   SER  29           HA       SER  29  -9.920   1.497  -2.177
    3    HB2  SER  29           HB2      SER  29  -8.584   3.582  -2.576
    4    HB3  SER  29           HB3      SER  29  -8.919   3.404  -4.294
    5    HG   SER  29           HG       SER  29 -10.630   4.134  -2.201

  No H/Q in entry =           5
  In of MODEL   21
    1    H    GLY  30           H        GLY  30 -11.746   2.357  -3.821
    2    HA2  GLY  30           HA2      GLY  30 -11.863   0.499  -6.097
    3    HA3  GLY  30           HA3      GLY  30 -12.866   1.930  -5.890

  No H/Q in entry =           3
  In of MODEL   21
    1    H    PHE  31           H        PHE  31 -13.050   0.982  -2.946
    2    HA   PHE  31           HA       PHE  31 -15.060  -1.127  -3.377
    3    HB2  PHE  31           HB2      PHE  31 -14.246  -2.270  -1.360
    4    HB3  PHE  31           HB3      PHE  31 -12.923  -2.088  -2.533
    5    HD1  PHE  31           HD1      PHE  31 -11.295  -0.212  -2.230
    6    HD2  PHE  31           HD2      PHE  31 -14.071  -1.336   0.787
    7    HE1  PHE  31           HE1      PHE  31  -9.972   1.009  -0.572
    8    HE2  PHE  31           HE2      PHE  31 -12.740  -0.125   2.464
    9    HZ   PHE  31           HZ       PHE  31 -10.691   1.075   1.782

  No H/Q in entry =           9
  In of MODEL   21
    1    H    HIS  32           H        HIS  32 -16.309  -1.441  -1.161
    2    HA   HIS  32           HA       HIS  32 -16.344   0.988   0.469
    3    HB2  HIS  32           HB2      HIS  32 -18.788   1.105   0.522
    4    HB3  HIS  32           HB3      HIS  32 -18.186   1.315  -1.112
    5    HD2  HIS  32           HD2      HIS  32 -20.195  -1.287   1.003
    6    HE1  HIS  32           HE1      HIS  32 -20.671  -2.117  -3.118
    7    HE2  HIS  32           HE2      HIS  32 -21.552  -2.598  -0.784

  No H/Q in entry =           7
  In of MODEL   21
    1    HA   PRO  33           HA       PRO  33 -18.495   1.344   2.314
    2    HB2  PRO  33           HB2      PRO  33 -17.583   1.859   4.851
    3    HB3  PRO  33           HB3      PRO  33 -19.058   0.957   4.487
    4    HG2  PRO  33           HG2      PRO  33 -16.333  -0.062   5.177
    5    HG3  PRO  33           HG3      PRO  33 -17.920  -0.634   5.729
    6    HD2  PRO  33           HD2      PRO  33 -16.550  -1.916   3.812
    7    HD3  PRO  33           HD3      PRO  33 -18.321  -1.802   3.774

  No H/Q in entry =           7
  In of MODEL   21
    1    H    SER  34           H        SER  34 -15.478   1.461   4.313
    2    HA   SER  34           HA       SER  34 -14.133   2.918   2.207
    3    HB2  SER  34           HB2      SER  34 -14.574   4.095   4.968
    4    HB3  SER  34           HB3      SER  34 -13.717   4.849   3.621
    5    HG   SER  34           HG       SER  34 -16.009   4.328   2.609

  No H/Q in entry =           5
  In of MODEL   21
    1    H    ASP  35           H        ASP  35 -14.057   0.424   4.111
    2    HA   ASP  35           HA       ASP  35 -11.450   0.946   5.381
    3    HB2  ASP  35           HB2      ASP  35 -13.730  -0.762   6.390
    4    HB3  ASP  35           HB3      ASP  35 -12.142  -0.672   7.140

  No H/Q in entry =           4
  In of MODEL   21
    1    H    ILE  36           H        ILE  36  -9.833  -0.346   4.735
    2    HA   ILE  36           HA       ILE  36 -10.387  -3.190   4.336
    3    HB   ILE  36           HB       ILE  36 -10.251  -2.116   2.013
    4   HG12  ILE  36          HG12      ILE  36  -8.531  -4.348   3.010
    5   HG13  ILE  36          HG13      ILE  36  -9.927  -4.407   1.941
    6   HG21  ILE  36          HG21      ILE  36  -7.373  -1.796   2.845
    7   HG22  ILE  36          HG22      ILE  36  -7.991  -1.569   1.207
    8   HG23  ILE  36          HG23      ILE  36  -8.500  -0.481   2.500
    9   HD11  ILE  36          HD11      ILE  36  -7.216  -3.365   1.153
   10   HD12  ILE  36          HD12      ILE  36  -7.792  -4.996   0.838
   11   HD13  ILE  36          HD13      ILE  36  -8.598  -3.617   0.088

  No H/Q in entry =          11
  In of MODEL   21
    1    H    GLU  37           H        GLU  37  -8.436  -4.491   4.752
    2    HA   GLU  37           HA       GLU  37  -6.475  -2.991   6.314
    3    HB2  GLU  37           HB2      GLU  37  -7.835  -4.961   7.302
    4    HB3  GLU  37           HB3      GLU  37  -6.811  -5.968   6.286
    5    HG2  GLU  37           HG2      GLU  37  -5.938  -5.889   8.547
    6    HG3  GLU  37           HG3      GLU  37  -4.821  -5.099   7.431

  No H/Q in entry =           6
  In of MODEL   21
    1    H    VAL  38           H        VAL  38  -4.697  -2.590   5.274
    2    HA   VAL  38           HA       VAL  38  -3.646  -4.600   3.440
    3    HB   VAL  38           HB       VAL  38  -3.898  -3.219   1.715
    4   HG11  VAL  38          HG11      VAL  38  -5.639  -2.065   2.906
    5   HG12  VAL  38          HG12      VAL  38  -4.454  -0.991   3.651
    6   HG13  VAL  38          HG13      VAL  38  -4.723  -0.935   1.908
    7   HG21  VAL  38          HG21      VAL  38  -1.939  -1.420   3.135
    8   HG22  VAL  38          HG22      VAL  38  -1.543  -2.737   2.033
    9   HG23  VAL  38          HG23      VAL  38  -2.377  -1.299   1.428

  No H/Q in entry =           9
  In of MODEL   21
    1    H    ASP  39           H        ASP  39  -1.608  -5.071   3.649
    2    HA   ASP  39           HA       ASP  39  -0.116  -3.717   5.798
    3    HB2  ASP  39           HB2      ASP  39  -0.202  -5.583   7.033
    4    HB3  ASP  39           HB3      ASP  39  -1.157  -6.371   5.790

  No H/Q in entry =           4
  In of MODEL   21
    1    H    LEU  40           H        LEU  40   2.113  -3.629   5.584
    2    HA   LEU  40           HA       LEU  40   2.963  -3.879   2.801
    3    HB2  LEU  40           HB2      LEU  40   4.303  -2.289   4.978
    4    HB3  LEU  40           HB3      LEU  40   4.628  -2.211   3.260
    5    HG   LEU  40           HG       LEU  40   2.142  -1.230   4.654
    6   HD11  LEU  40          HD11      LEU  40   4.430   0.221   3.329
    7   HD12  LEU  40          HD12      LEU  40   2.954   0.980   3.926
    8   HD13  LEU  40          HD13      LEU  40   4.057   0.187   5.052
    9   HD21  LEU  40          HD21      LEU  40   2.878  -1.190   1.733
   10   HD22  LEU  40          HD22      LEU  40   1.517  -2.034   2.478
   11   HD23  LEU  40          HD23      LEU  40   1.558  -0.267   2.454

  No H/Q in entry =          11
  In of MODEL   21
    1    H    LEU  41           H        LEU  41   4.810  -4.989   2.263
    2    HA   LEU  41           HA       LEU  41   5.923  -6.646   4.427
    3    HB2  LEU  41           HB2      LEU  41   5.922  -7.564   1.610
    4    HB3  LEU  41           HB3      LEU  41   5.971  -8.492   3.068
    5    HG   LEU  41           HG       LEU  41   3.538  -7.023   2.175
    6   HD11  LEU  41          HD11      LEU  41   4.253  -8.749   0.533
    7   HD12  LEU  41          HD12      LEU  41   4.152  -9.948   1.818
    8   HD13  LEU  41          HD13      LEU  41   2.691  -9.109   1.278
    9   HD21  LEU  41          HD21      LEU  41   3.637  -7.528   4.554
   10   HD22  LEU  41          HD22      LEU  41   2.399  -8.495   3.752
   11   HD23  LEU  41          HD23      LEU  41   3.945  -9.223   4.185

  No H/Q in entry =          11
  In of MODEL   21
    1    H    LYS  42           H        LYS  42   8.007  -7.482   4.083
    2    HA   LYS  42           HA       LYS  42   9.624  -6.161   2.037
    3    HB2  LYS  42           HB2      LYS  42  10.522  -6.922   4.812
    4    HB3  LYS  42           HB3      LYS  42  11.457  -6.048   3.608
    5    HG2  LYS  42           HG2      LYS  42   9.661  -4.227   3.693
    6    HG3  LYS  42           HG3      LYS  42   8.977  -5.119   5.030
    7    HD2  LYS  42           HD2      LYS  42  11.870  -4.201   5.120
    8    HD3  LYS  42           HD3      LYS  42  10.525  -3.172   5.646
    9    HE2  LYS  42           HE2      LYS  42   9.849  -4.958   7.226
   10    HE3  LYS  42           HE3      LYS  42  11.274  -5.877   6.741
   11    HZ1  LYS  42           HZ1      LYS  42  12.588  -3.848   7.432
   12    HZ2  LYS  42           HZ2      LYS  42  11.170  -3.289   8.181
   13    HZ3  LYS  42           HZ3      LYS  42  11.879  -4.740   8.681

  No H/Q in entry =          13
  In of MODEL   21
    1    H    ASN  43           H        ASN  43  10.001  -7.647   0.660
    2    HA   ASN  43           HA       ASN  43  10.461  -9.606  -0.398
    3    HB2  ASN  43           HB2      ASN  43  11.914 -10.037   2.196
    4    HB3  ASN  43           HB3      ASN  43  11.859 -11.309   0.979
    5   HD21  ASN  43          HD21      ASN  43  13.127  -8.185   1.816
    6   HD22  ASN  43          HD22      ASN  43  14.247  -8.079   0.502

  No H/Q in entry =           6
  In of MODEL   21
    1    H    GLY  44           H        GLY  44   8.694  -9.665   2.505
    2    HA2  GLY  44           HA2      GLY  44   7.832 -12.412   2.267
    3    HA3  GLY  44           HA3      GLY  44   6.622 -11.217   1.767

  No H/Q in entry =           3
  In of MODEL   21
    1    H    GLU  45           H        GLU  45   8.635  -9.959   4.164
    2    HA   GLU  45           HA       GLU  45   7.069 -11.024   6.377
    3    HB2  GLU  45           HB2      GLU  45   8.773 -10.134   7.801
    4    HB3  GLU  45           HB3      GLU  45   9.549 -10.909   6.429
    5    HG2  GLU  45           HG2      GLU  45  10.048  -8.838   5.406
    6    HG3  GLU  45           HG3      GLU  45   9.063  -7.960   6.572

  No H/Q in entry =           6
  In of MODEL   21
    1    H    ARG  46           H        ARG  46   5.754  -9.854   7.618
    2    HA   ARG  46           HA       ARG  46   4.564  -7.497   6.621
    3    HB2  ARG  46           HB2      ARG  46   3.395  -9.155   8.024
    4    HB3  ARG  46           HB3      ARG  46   4.420  -8.725   9.380
    5    HG2  ARG  46           HG2      ARG  46   3.417  -6.618   9.572
    6    HG3  ARG  46           HG3      ARG  46   2.613  -6.787   7.995
    7    HD2  ARG  46           HD2      ARG  46   1.958  -8.202  10.569
    8    HD3  ARG  46           HD3      ARG  46   0.882  -7.372   9.449
    9    HE   ARG  46           HE       ARG  46   2.176  -9.779   8.472
   10   HH11  ARG  46          HH11      ARG  46  -0.699  -8.234   9.743
   11   HH12  ARG  46          HH12      ARG  46  -1.766  -9.487   9.181
   12   HH21  ARG  46          HH21      ARG  46   0.777 -11.412   7.734
   13   HH22  ARG  46          HH22      ARG  46  -0.931 -11.286   8.041

  No H/Q in entry =          13
  In of MODEL   21
    1    H    ILE  47           H        ILE  47   4.991  -5.406   6.957
    2    HA   ILE  47           HA       ILE  47   7.197  -4.618   8.674
    3    HB   ILE  47           HB       ILE  47   5.370  -2.930   6.942
    4   HG12  ILE  47          HG12      ILE  47   8.247  -3.689   6.444
    5   HG13  ILE  47          HG13      ILE  47   6.884  -4.490   5.674
    6   HG21  ILE  47          HG21      ILE  47   7.915  -2.213   8.400
    7   HG22  ILE  47          HG22      ILE  47   7.042  -1.156   7.288
    8   HG23  ILE  47          HG23      ILE  47   6.289  -1.663   8.801
    9   HD11  ILE  47          HD11      ILE  47   7.390  -1.535   5.458
   10   HD12  ILE  47          HD12      ILE  47   7.990  -2.709   4.290
   11   HD13  ILE  47          HD13      ILE  47   6.258  -2.511   4.525

  No H/Q in entry =          11
  In of MODEL   21
    1    H    GLU  48           H        GLU  48   6.939  -3.570  10.606
    2    HA   GLU  48           HA       GLU  48   4.230  -3.530  11.674
    3    HB2  GLU  48           HB2      GLU  48   5.983  -2.795  13.696
    4    HB3  GLU  48           HB3      GLU  48   5.317  -4.387  13.439
    5    HG2  GLU  48           HG2      GLU  48   7.573  -4.742  13.618
    6    HG3  GLU  48           HG3      GLU  48   7.292  -4.688  11.898

  No H/Q in entry =           6
  In of MODEL   21
    1    H    LYS  49           H        LYS  49   6.974  -1.410  11.145
    2    HA   LYS  49           HA       LYS  49   5.874   0.912  12.236
    3    HB2  LYS  49           HB2      LYS  49   7.958   0.754  10.072
    4    HB3  LYS  49           HB3      LYS  49   7.766   2.002  11.299
    5    HG2  LYS  49           HG2      LYS  49   8.042  -0.568  12.552
    6    HG3  LYS  49           HG3      LYS  49   9.364  -0.294  11.419
    7    HD2  LYS  49           HD2      LYS  49   9.982   1.742  12.488
    8    HD3  LYS  49           HD3      LYS  49   8.526   1.730  13.481
    9    HE2  LYS  49           HE2      LYS  49  10.678   1.020  14.622
   10    HE3  LYS  49           HE3      LYS  49   9.303  -0.071  14.781
   11    HZ1  LYS  49           HZ1      LYS  49  11.438  -0.415  12.746
   12    HZ2  LYS  49           HZ2      LYS  49  11.451  -1.177  14.259
   13    HZ3  LYS  49           HZ3      LYS  49  10.211  -1.515  13.159

  No H/Q in entry =          13
  In of MODEL   21
    1    H    VAL  50           H        VAL  50   4.372  -0.588   9.974
    2    HA   VAL  50           HA       VAL  50   3.851   1.492   8.069
    3    HB   VAL  50           HB       VAL  50   2.168  -0.916   8.783
    4   HG11  VAL  50          HG11      VAL  50   0.901   0.864   7.646
    5   HG12  VAL  50          HG12      VAL  50   2.088   0.843   6.331
    6   HG13  VAL  50          HG13      VAL  50   1.084  -0.576   6.634
    7   HG21  VAL  50          HG21      VAL  50   4.282  -0.512   6.686
    8   HG22  VAL  50          HG22      VAL  50   4.309  -1.648   8.034
    9   HG23  VAL  50          HG23      VAL  50   3.164  -1.869   6.715

  No H/Q in entry =           9
  In of MODEL   21
    1    H    GLU  51           H        GLU  51   2.457   3.134   8.231
    2    HA   GLU  51           HA       GLU  51   0.354   2.963  10.261
    3    HB2  GLU  51           HB2      GLU  51   2.043   5.418   9.742
    4    HB3  GLU  51           HB3      GLU  51   0.647   5.338  10.812
    5    HG2  GLU  51           HG2      GLU  51   1.867   3.649  12.170
    6    HG3  GLU  51           HG3      GLU  51   3.283   3.933  11.156

  No H/Q in entry =           6
  In of MODEL   21
    1    H    HIS  52           H        HIS  52  -1.509   4.007   9.766
    2    HA   HIS  52           HA       HIS  52  -1.759   4.952   6.992
    3    HB2  HIS  52           HB2      HIS  52  -4.186   4.424   7.144
    4    HB3  HIS  52           HB3      HIS  52  -3.149   3.014   7.257
    5    HD2  HIS  52           HD2      HIS  52  -2.794   2.207  10.110
    6    HE1  HIS  52           HE1      HIS  52  -6.714   3.548  10.958
    7    HE2  HIS  52           HE2      HIS  52  -4.857   1.974  11.664

  No H/Q in entry =           7
  In of MODEL   21
    1    H    SER  53           H        SER  53  -2.284   6.980   6.656
    2    HA   SER  53           HA       SER  53  -2.453   8.730   8.946
    3    HB2  SER  53           HB2      SER  53  -2.513  10.499   7.025
    4    HB3  SER  53           HB3      SER  53  -1.039   9.540   7.208
    5    HG   SER  53           HG       SER  53  -3.004   9.463   5.219

  No H/Q in entry =           5
  In of MODEL   21
    1    H    ASP  54           H        ASP  54  -4.008  10.818   7.911
    2    HA   ASP  54           HA       ASP  54  -6.565  10.178   8.777
    3    HB2  ASP  54           HB2      ASP  54  -5.635  12.493   8.546
    4    HB3  ASP  54           HB3      ASP  54  -5.864  12.361   6.804

  No H/Q in entry =           4
  In of MODEL   21
    1    H    LEU  55           H        LEU  55  -8.073   8.962   7.928
    2    HA   LEU  55           HA       LEU  55  -7.774   7.378   5.740
    3    HB2  LEU  55           HB2      LEU  55  -9.472   7.178   7.586
    4    HB3  LEU  55           HB3      LEU  55 -10.459   8.335   6.714
    5    HG   LEU  55           HG       LEU  55 -10.506   6.755   4.773
    6   HD11  LEU  55          HD11      LEU  55  -8.488   5.484   5.306
    7   HD12  LEU  55          HD12      LEU  55  -9.281   4.823   6.736
    8   HD13  LEU  55          HD13      LEU  55  -9.893   4.432   5.129
    9   HD21  LEU  55          HD21      LEU  55 -12.349   6.899   6.393
   10   HD22  LEU  55          HD22      LEU  55 -12.163   5.277   5.727
   11   HD23  LEU  55          HD23      LEU  55 -11.586   5.632   7.354

  No H/Q in entry =          11
  In of MODEL   21
    1    H    SER  56           H        SER  56 -10.435   9.702   5.582
    2    HA   SER  56           HA       SER  56  -9.559  11.239   3.451
    3    HB2  SER  56           HB2      SER  56 -11.092  10.184   1.619
    4    HB3  SER  56           HB3      SER  56  -9.533   9.415   1.940
    5    HG   SER  56           HG       SER  56 -10.517   7.729   2.790

  No H/Q in entry =           5
  In of MODEL   21
    1    H    PHE  57           H        PHE  57 -11.091  12.734   2.758
    2    HA   PHE  57           HA       PHE  57 -13.541  12.818   4.343
    3    HB2  PHE  57           HB2      PHE  57 -13.747  15.143   3.591
    4    HB3  PHE  57           HB3      PHE  57 -12.164  14.860   4.301
    5    HD1  PHE  57           HD1      PHE  57 -13.946  16.112   1.500
    6    HD2  PHE  57           HD2      PHE  57 -10.225  14.405   2.662
    7    HE1  PHE  57           HE1      PHE  57 -12.893  17.038  -0.522
    8    HE2  PHE  57           HE2      PHE  57  -9.167  15.326   0.642
    9    HZ   PHE  57           HZ       PHE  57 -10.501  16.644  -0.952

  No H/Q in entry =           9
  In of MODEL   21
    1    H    SER  58           H        SER  58 -15.574  13.386   3.302
    2    HA   SER  58           HA       SER  58 -16.155  11.587   1.203
    3    HB2  SER  58           HB2      SER  58 -17.835  13.875   2.260
    4    HB3  SER  58           HB3      SER  58 -18.421  12.499   1.324
    5    HG   SER  58           HG       SER  58 -16.984  11.753   3.538

  No H/Q in entry =           5
  In of MODEL   21
    1    H    LYS  59           H        LYS  59 -16.772  11.979  -0.963
    2    HA   LYS  59           HA       LYS  59 -16.199  14.577  -2.085
    3    HB2  LYS  59           HB2      LYS  59 -14.529  12.148  -2.754
    4    HB3  LYS  59           HB3      LYS  59 -14.567  13.607  -3.733
    5    HG2  LYS  59           HG2      LYS  59 -13.677  14.901  -1.878
    6    HG3  LYS  59           HG3      LYS  59 -13.684  13.463  -0.855
    7    HD2  LYS  59           HD2      LYS  59 -12.086  13.816  -3.392
    8    HD3  LYS  59           HD3      LYS  59 -11.450  13.925  -1.749
    9    HE2  LYS  59           HE2      LYS  59 -12.783  11.484  -2.912
   10    HE3  LYS  59           HE3      LYS  59 -11.039  11.734  -2.848
   11    HZ1  LYS  59           HZ1      LYS  59 -12.674  11.875  -0.392
   12    HZ2  LYS  59           HZ2      LYS  59 -12.142  10.387  -1.000
   13    HZ3  LYS  59           HZ3      LYS  59 -11.011  11.561  -0.556

  No H/Q in entry =          13
  In of MODEL   21
    1    H    ASP  60           H        ASP  60 -15.959  11.526  -3.888
    2    HA   ASP  60           HA       ASP  60 -18.582  12.097  -5.057
    3    HB2  ASP  60           HB2      ASP  60 -16.697  11.958  -6.634
    4    HB3  ASP  60           HB3      ASP  60 -16.314  10.345  -6.044

  No H/Q in entry =           4
  In of MODEL   21
    1    H    TRP  61           H        TRP  61 -16.642   9.169  -4.454
    2    HA   TRP  61           HA       TRP  61 -18.499   8.108  -2.575
    3    HB2  TRP  61           HB2      TRP  61 -19.805   7.623  -4.572
    4    HB3  TRP  61           HB3      TRP  61 -18.421   6.827  -5.315
    5    HD1  TRP  61           HD1      TRP  61 -18.333   4.276  -5.011
    6    HE1  TRP  61           HE1      TRP  61 -19.442   2.563  -3.437
    7    HE3  TRP  61           HE3      TRP  61 -20.788   7.503  -1.907
    8    HZ2  TRP  61           HZ2      TRP  61 -21.125   2.578  -1.178
    9    HZ3  TRP  61           HZ3      TRP  61 -22.121   6.594  -0.061
   10    HH2  TRP  61           HH2      TRP  61 -22.290   4.149   0.302

  No H/Q in entry =          10
  In of MODEL   21
    1    H    SER  62           H        SER  62 -15.939   7.308  -4.912
    2    HA   SER  62           HA       SER  62 -14.933   5.132  -3.402
    3    HB2  SER  62           HB2      SER  62 -13.528   6.871  -5.463
    4    HB3  SER  62           HB3      SER  62 -12.951   5.292  -4.902
    5    HG   SER  62           HG       SER  62 -15.365   5.850  -6.312

  No H/Q in entry =           5
  In of MODEL   21
    1    H    PHE  63           H        PHE  63 -14.569   5.687  -1.271
    2    HA   PHE  63           HA       PHE  63 -12.861   7.902  -0.578
    3    HB2  PHE  63           HB2      PHE  63 -13.743   5.553   1.132
    4    HB3  PHE  63           HB3      PHE  63 -12.967   7.013   1.720
    5    HD1  PHE  63           HD1      PHE  63 -16.079   5.621   0.310
    6    HD2  PHE  63           HD2      PHE  63 -14.247   9.004   2.150
    7    HE1  PHE  63           HE1      PHE  63 -18.304   6.587   0.743
    8    HE2  PHE  63           HE2      PHE  63 -16.483   9.978   2.577
    9    HZ   PHE  63           HZ       PHE  63 -18.500   8.767   1.864

  No H/Q in entry =           9
  In of MODEL   21
    1    H    TYR  64           H        TYR  64 -10.733   7.837  -0.024
    2    HA   TYR  64           HA       TYR  64  -9.322   5.418  -0.913
    3    HB2  TYR  64           HB2      TYR  64  -8.198   8.228  -0.633
    4    HB3  TYR  64           HB3      TYR  64  -7.431   6.860  -1.425
    5    HD1  TYR  64           HD1      TYR  64 -10.222   9.278  -1.695
    6    HD2  TYR  64           HD2      TYR  64  -7.806   6.427  -3.731
    7    HE1  TYR  64           HE1      TYR  64 -11.124  10.058  -3.845
    8    HE2  TYR  64           HE2      TYR  64  -8.703   7.206  -5.892
    9    HH   TYR  64           HH       TYR  64 -10.769   8.349  -6.725

  No H/Q in entry =           9
  In of MODEL   21
    1    H    LEU  65           H        LEU  65  -7.740   4.509   0.417
    2    HA   LEU  65           HA       LEU  65  -7.110   5.962   2.889
    3    HB2  LEU  65           HB2      LEU  65  -6.974   3.876   4.087
    4    HB3  LEU  65           HB3      LEU  65  -8.524   3.945   3.305
    5    HG   LEU  65           HG       LEU  65  -6.661   2.697   1.558
    6   HD11  LEU  65          HD11      LEU  65  -6.976   1.378   4.241
    7   HD12  LEU  65          HD12      LEU  65  -6.396   0.600   2.773
    8   HD13  LEU  65          HD13      LEU  65  -5.459   1.905   3.495
    9   HD21  LEU  65          HD21      LEU  65  -9.121   2.682   1.570
   10   HD22  LEU  65          HD22      LEU  65  -8.394   1.076   1.504
   11   HD23  LEU  65          HD23      LEU  65  -9.041   1.684   3.028

  No H/Q in entry =          11
  In of MODEL   21
    1    H    LEU  66           H        LEU  66  -5.011   5.415   3.691
    2    HA   LEU  66           HA       LEU  66  -3.077   4.822   1.554
    3    HB2  LEU  66           HB2      LEU  66  -3.595   7.342   2.173
    4    HB3  LEU  66           HB3      LEU  66  -2.491   7.006   3.480
    5    HG   LEU  66           HG       LEU  66  -1.846   6.654   0.579
    6   HD11  LEU  66          HD11      LEU  66  -1.095   8.852   2.500
    7   HD12  LEU  66          HD12      LEU  66  -0.405   8.646   0.892
    8   HD13  LEU  66          HD13      LEU  66  -2.122   9.004   1.074
    9   HD21  LEU  66          HD21      LEU  66  -0.105   6.468   3.018
   10   HD22  LEU  66          HD22      LEU  66  -0.546   5.155   1.932
   11   HD23  LEU  66          HD23      LEU  66   0.484   6.468   1.360

  No H/Q in entry =          11
  In of MODEL   21
    1    H    TYR  67           H        TYR  67  -1.716   3.277   2.211
    2    HA   TYR  67           HA       TYR  67  -1.011   3.159   5.070
    3    HB2  TYR  67           HB2      TYR  67  -1.610   0.960   3.150
    4    HB3  TYR  67           HB3      TYR  67  -0.392   0.685   4.394
    5    HD1  TYR  67           HD1      TYR  67  -3.967   1.272   3.773
    6    HD2  TYR  67           HD2      TYR  67  -1.013   0.485   6.723
    7    HE1  TYR  67           HE1      TYR  67  -5.742   0.735   5.353
    8    HE2  TYR  67           HE2      TYR  67  -2.779  -0.078   8.341
    9    HH   TYR  67           HH       TYR  67  -6.030  -0.559   7.407

  No H/Q in entry =           9
  In of MODEL   21
    1    H    TYR  68           H        TYR  68   0.972   3.770   5.459
    2    HA   TYR  68           HA       TYR  68   3.016   3.309   3.402
    3    HB2  TYR  68           HB2      TYR  68   3.816   5.612   3.584
    4    HB3  TYR  68           HB3      TYR  68   2.126   5.601   3.090
    5    HD1  TYR  68           HD1      TYR  68   0.424   6.573   4.480
    6    HD2  TYR  68           HD2      TYR  68   4.438   6.332   5.868
    7    HE1  TYR  68           HE1      TYR  68  -0.122   8.131   6.307
    8    HE2  TYR  68           HE2      TYR  68   3.902   7.875   7.705
    9    HH   TYR  68           HH       TYR  68   0.709   8.680   8.550

  No H/Q in entry =           9
  In of MODEL   21
    1    H    THR  69           H        THR  69   5.207   3.736   4.183
    2    HA   THR  69           HA       THR  69   5.616   3.820   7.058
    3    HB   THR  69           HB       THR  69   5.286   1.396   6.624
    4    HG1  THR  69           HG1      THR  69   6.673   1.944   8.297
    5   HG21  THR  69          HG21      THR  69   7.642   1.756   4.766
    6   HG22  THR  69          HG22      THR  69   7.122   0.191   5.388
    7   HG23  THR  69          HG23      THR  69   6.036   1.135   4.367

  No H/Q in entry =           7
  In of MODEL   21
    1    H    GLU  70           H        GLU  70   7.657   4.575   7.594
    2    HA   GLU  70           HA       GLU  70   9.205   5.719   5.436
    3    HB2  GLU  70           HB2      GLU  70   8.791   6.909   7.639
    4    HB3  GLU  70           HB3      GLU  70   9.844   5.727   8.402
    5    HG2  GLU  70           HG2      GLU  70  11.684   6.462   6.932
    6    HG3  GLU  70           HG3      GLU  70  10.620   7.692   6.262

  No H/Q in entry =           6
  In of MODEL   21
    1    H    PHE  71           H        PHE  71  11.114   4.933   4.658
    2    HA   PHE  71           HA       PHE  71  12.320   2.641   5.923
    3    HB2  PHE  71           HB2      PHE  71  12.066   1.116   4.046
    4    HB3  PHE  71           HB3      PHE  71  10.489   1.592   4.651
    5    HD1  PHE  71           HD1      PHE  71  11.375   0.387   1.948
    6    HD2  PHE  71           HD2      PHE  71  10.446   4.327   3.222
    7    HE1  PHE  71           HE1      PHE  71  10.687   0.935  -0.338
    8    HE2  PHE  71           HE2      PHE  71   9.765   4.905   0.917
    9    HZ   PHE  71           HZ       PHE  71   9.898   3.210  -0.874

  No H/Q in entry =           9
  In of MODEL   21
    1    H    THR  72           H        THR  72  14.354   2.037   4.868
    2    HA   THR  72           HA       THR  72  15.402   4.184   3.156
    3    HB   THR  72           HB       THR  72  17.041   2.556   5.106
    4    HG1  THR  72           HG1      THR  72  15.329   4.534   5.606
    5   HG21  THR  72          HG21      THR  72  18.283   3.506   3.199
    6   HG22  THR  72          HG22      THR  72  17.657   5.109   3.592
    7   HG23  THR  72          HG23      THR  72  18.737   4.281   4.717

  No H/Q in entry =           7
  In of MODEL   21
    1    HA   PRO  73           HA       PRO  73  15.202   0.337   0.577
    2    HB2  PRO  73           HB2      PRO  73  15.865   1.944  -1.666
    3    HB3  PRO  73           HB3      PRO  73  14.253   1.369  -1.214
    4    HG2  PRO  73           HG2      PRO  73  15.551   3.999  -0.731
    5    HG3  PRO  73           HG3      PRO  73  13.835   3.633  -1.009
    6    HD2  PRO  73           HD2      PRO  73  14.753   4.254   1.428
    7    HD3  PRO  73           HD3      PRO  73  13.488   3.019   1.213

  No H/Q in entry =           7
  In of MODEL   21
    1    H    THR  74           H        THR  74  16.737  -0.854  -0.418
    2    HA   THR  74           HA       THR  74  19.427   0.259  -0.677
    3    HB   THR  74           HB       THR  74  20.478  -1.653   0.349
    4    HG1  THR  74           HG1      THR  74  17.815  -2.637   0.539
    5   HG21  THR  74          HG21      THR  74  18.261  -0.651   2.144
    6   HG22  THR  74          HG22      THR  74  19.725  -1.471   2.688
    7   HG23  THR  74          HG23      THR  74  19.834   0.113   1.918

  No H/Q in entry =           7
  In of MODEL   21
    1    H    GLU  75           H        GLU  75  20.808  -1.334  -1.939
    2    HA   GLU  75           HA       GLU  75  19.703  -2.077  -4.355
    3    HB2  GLU  75           HB2      GLU  75  22.154  -1.840  -3.619
    4    HB3  GLU  75           HB3      GLU  75  22.035  -3.499  -3.085
    5    HG2  GLU  75           HG2      GLU  75  21.512  -2.610  -5.902
    6    HG3  GLU  75           HG3      GLU  75  23.074  -3.156  -5.312

  No H/Q in entry =           6
  In of MODEL   21
    1    H    LYS  76           H        LYS  76  20.090  -3.988  -1.417
    2    HA   LYS  76           HA       LYS  76  19.429  -6.404  -2.844
    3    HB2  LYS  76           HB2      LYS  76  20.579  -5.863  -0.129
    4    HB3  LYS  76           HB3      LYS  76  20.191  -7.480  -0.701
    5    HG2  LYS  76           HG2      LYS  76  21.997  -7.582  -2.034
    6    HG3  LYS  76           HG3      LYS  76  21.839  -5.905  -2.545
    7    HD2  LYS  76           HD2      LYS  76  22.718  -5.261  -0.269
    8    HD3  LYS  76           HD3      LYS  76  23.112  -6.970  -0.041
    9    HE2  LYS  76           HE2      LYS  76  24.139  -5.175  -2.245
   10    HE3  LYS  76           HE3      LYS  76  25.062  -5.746  -0.857
   11    HZ1  LYS  76           HZ1      LYS  76  23.870  -7.518  -2.922
   12    HZ2  LYS  76           HZ2      LYS  76  25.482  -7.005  -2.913
   13    HZ3  LYS  76           HZ3      LYS  76  24.899  -7.981  -1.656

  No H/Q in entry =          13
  In of MODEL   21
    1    H    ASP  77           H        ASP  77  17.868  -4.261  -0.558
    2    HA   ASP  77           HA       ASP  77  16.166  -6.477   0.302
    3    HB2  ASP  77           HB2      ASP  77  15.297  -5.076   2.039
    4    HB3  ASP  77           HB3      ASP  77  17.040  -4.876   2.033

  No H/Q in entry =           4
  In of MODEL   21
    1    H    GLU  78           H        GLU  78  13.758  -6.044   0.429
    2    HA   GLU  78           HA       GLU  78  12.760  -4.607  -1.907
    3    HB2  GLU  78           HB2      GLU  78  13.559  -6.874  -2.650
    4    HB3  GLU  78           HB3      GLU  78  12.358  -7.596  -1.602
    5    HG2  GLU  78           HG2      GLU  78  11.380  -7.642  -3.714
    6    HG3  GLU  78           HG3      GLU  78  10.654  -6.217  -2.980

  No H/Q in entry =           6
  In of MODEL   21
    1    H    TYR  79           H        TYR  79  10.552  -4.171  -1.747
    2    HA   TYR  79           HA       TYR  79   9.245  -5.177   0.672
    3    HB2  TYR  79           HB2      TYR  79   8.664  -2.384  -0.273
    4    HB3  TYR  79           HB3      TYR  79   8.467  -3.085   1.334
    5    HD1  TYR  79           HD1      TYR  79   9.914  -2.411   2.982
    6    HD2  TYR  79           HD2      TYR  79  11.238  -2.258  -1.061
    7    HE1  TYR  79           HE1      TYR  79  12.010  -1.333   3.708
    8    HE2  TYR  79           HE2      TYR  79  13.339  -1.220  -0.338
    9    HH   TYR  79           HH       TYR  79  14.601  -1.287   2.394

  No H/Q in entry =           9
  In of MODEL   21
    1    H    ALA  80           H        ALA  80   6.876  -5.029   0.684
    2    HA   ALA  80           HA       ALA  80   5.663  -5.091  -1.993
    3    HB1  ALA  80           HB1      ALA  80   6.449  -7.394  -1.401
    4    HB2  ALA  80           HB2      ALA  80   4.709  -7.260  -1.663
    5    HB3  ALA  80           HB3      ALA  80   5.350  -7.348  -0.022

  No H/Q in entry =           5
  In of MODEL   21
    1    H    CYS  81           H        CYS  81   3.276  -5.222  -1.877
    2    HA   CYS  81           HA       CYS  81   2.242  -4.227   0.702
    3    HB2  CYS  81           HB2      CYS  81   2.317  -2.401  -1.080
    4    HB3  CYS  81           HB3      CYS  81   1.142  -3.365  -1.987

  No H/Q in entry =           4
  In of MODEL   21
    1    H    ARG  82           H        ARG  82   0.521  -5.272   1.495
    2    HA   ARG  82           HA       ARG  82  -0.719  -7.414  -0.151
    3    HB2  ARG  82           HB2      ARG  82   0.762  -7.984   1.938
    4    HB3  ARG  82           HB3      ARG  82  -0.611  -7.385   2.860
    5    HG2  ARG  82           HG2      ARG  82  -2.028  -9.038   1.584
    6    HG3  ARG  82           HG3      ARG  82  -0.507  -9.765   1.037
    7    HD2  ARG  82           HD2      ARG  82  -1.524  -9.496   3.862
    8    HD3  ARG  82           HD3      ARG  82  -1.286 -10.976   2.945
    9    HE   ARG  82           HE       ARG  82   0.872  -9.266   3.995
   10   HH11  ARG  82          HH11      ARG  82  -0.329 -12.366   2.859
   11   HH12  ARG  82          HH12      ARG  82   1.037 -13.263   3.444
   12   HH21  ARG  82          HH21      ARG  82   2.681 -10.452   4.763
   13   HH22  ARG  82          HH22      ARG  82   2.770 -12.169   4.501

  No H/Q in entry =          13
  In of MODEL   21
    1    H    VAL  83           H        VAL  83  -3.009  -7.444  -0.166
    2    HA   VAL  83           HA       VAL  83  -4.324  -5.811   1.892
    3    HB   VAL  83           HB       VAL  83  -5.757  -4.700   0.503
    4   HG11  VAL  83          HG11      VAL  83  -3.243  -4.970  -1.079
    5   HG12  VAL  83          HG12      VAL  83  -4.455  -3.710  -1.300
    6   HG13  VAL  83          HG13      VAL  83  -3.573  -3.828   0.224
    7   HG21  VAL  83          HG21      VAL  83  -5.152  -6.675  -1.680
    8   HG22  VAL  83          HG22      VAL  83  -6.649  -6.543  -0.754
    9   HG23  VAL  83          HG23      VAL  83  -6.178  -5.252  -1.860

  No H/Q in entry =           9
  In of MODEL   21
    1    H    ASN  84           H        ASN  84  -6.143  -6.564   2.706
    2    HA   ASN  84           HA       ASN  84  -7.070  -9.185   1.757
    3    HB2  ASN  84           HB2      ASN  84  -7.185  -8.115   4.590
    4    HB3  ASN  84           HB3      ASN  84  -7.633  -9.729   4.066
    5   HD21  ASN  84          HD21      ASN  84  -4.943  -7.533   4.536
    6   HD22  ASN  84          HD22      ASN  84  -3.722  -8.758   4.650

  No H/Q in entry =           6
  In of MODEL   21
    1    H    HIS  85           H        HIS  85  -9.081  -9.071   0.836
    2    HA   HIS  85           HA       HIS  85 -11.158  -7.777   2.418
    3    HB2  HIS  85           HB2      HIS  85 -10.281  -6.337   0.369
    4    HB3  HIS  85           HB3      HIS  85 -11.279  -7.455  -0.554
    5    HD2  HIS  85           HD2      HIS  85 -11.797  -4.852   2.382
    6    HE1  HIS  85           HE1      HIS  85 -15.389  -5.375   0.204
    7    HE2  HIS  85           HE2      HIS  85 -14.175  -3.935   1.897

  No H/Q in entry =           7
  In of MODEL   21
    1    H    VAL  86           H        VAL  86 -13.328  -8.530   1.652
    2    HA   VAL  86           HA       VAL  86 -13.343 -11.346   1.498
    3    HB   VAL  86           HB       VAL  86 -15.112  -9.968   2.581
    4   HG11  VAL  86          HG11      VAL  86 -15.343  -8.237   0.893
    5   HG12  VAL  86          HG12      VAL  86 -15.991  -9.414  -0.248
    6   HG13  VAL  86          HG13      VAL  86 -16.895  -9.008   1.211
    7   HG21  VAL  86          HG21      VAL  86 -15.507 -12.323   2.064
    8   HG22  VAL  86          HG22      VAL  86 -16.989 -11.378   1.926
    9   HG23  VAL  86          HG23      VAL  86 -16.120 -11.876   0.473

  No H/Q in entry =           9
  In of MODEL   21
    1    H    THR  87           H        THR  87 -13.314  -8.900  -0.973
    2    HA   THR  87           HA       THR  87 -14.646 -10.409  -2.978
    3    HB   THR  87           HB       THR  87 -13.807  -8.726  -4.540
    4    HG1  THR  87           HG1      THR  87 -11.790  -8.200  -3.905
    5   HG21  THR  87          HG21      THR  87 -15.750  -8.197  -3.110
    6   HG22  THR  87          HG22      THR  87 -14.653  -7.470  -1.933
    7   HG23  THR  87          HG23      THR  87 -14.815  -6.762  -3.540

  No H/Q in entry =           7
  In of MODEL   21
    1    H    LEU  88           H        LEU  88 -11.282  -9.851  -2.162
    2    HA   LEU  88           HA       LEU  88 -10.258 -11.209  -4.446
    3    HB2  LEU  88           HB2      LEU  88  -8.927 -10.466  -1.832
    4    HB3  LEU  88           HB3      LEU  88  -8.077 -11.104  -3.226
    5    HG   LEU  88           HG       LEU  88  -9.501  -8.447  -3.030
    6   HD11  LEU  88          HD11      LEU  88  -6.591  -9.159  -3.422
    7   HD12  LEU  88          HD12      LEU  88  -7.266  -7.525  -3.466
    8   HD13  LEU  88          HD13      LEU  88  -7.320  -8.466  -1.967
    9   HD21  LEU  88          HD21      LEU  88  -8.167  -9.727  -5.411
   10   HD22  LEU  88          HD22      LEU  88  -9.886  -9.377  -5.233
   11   HD23  LEU  88          HD23      LEU  88  -8.722  -8.055  -5.328

  No H/Q in entry =          11
  In of MODEL   21
    1    H    SER  89           H        SER  89 -10.251 -13.324  -4.759
    2    HA   SER  89           HA       SER  89 -11.173 -15.216  -2.931
    3    HB2  SER  89           HB2      SER  89 -10.001 -16.851  -4.574
    4    HB3  SER  89           HB3      SER  89 -11.306 -15.835  -5.189
    5    HG   SER  89           HG       SER  89  -9.939 -14.834  -6.434

  No H/Q in entry =           5
  In of MODEL   21
    1    H    GLN  90           H        GLN  90  -8.045 -13.865  -3.432
    2    HA   GLN  90           HA       GLN  90  -7.196 -14.998  -0.920
    3    HB2  GLN  90           HB2      GLN  90  -4.816 -15.015  -2.411
    4    HB3  GLN  90           HB3      GLN  90  -5.713 -16.423  -1.865
    5    HG2  GLN  90           HG2      GLN  90  -5.399 -16.832  -4.110
    6    HG3  GLN  90           HG3      GLN  90  -7.021 -16.144  -4.078
    7   HE21  GLN  90          HE21      GLN  90  -6.917 -15.453  -6.193
    8   HE22  GLN  90          HE22      GLN  90  -5.919 -14.131  -6.701

  No H/Q in entry =           8
  In of MODEL   21
    1    HA   PRO  91           HA       PRO  91  -5.996 -10.675  -0.297
    2    HB2  PRO  91           HB2      PRO  91  -3.697 -12.205   0.914
    3    HB3  PRO  91           HB3      PRO  91  -4.454 -10.701   1.481
    4    HG2  PRO  91           HG2      PRO  91  -5.157 -12.951   2.625
    5    HG3  PRO  91           HG3      PRO  91  -6.425 -11.798   2.129
    6    HD2  PRO  91           HD2      PRO  91  -5.591 -14.394   0.858
    7    HD3  PRO  91           HD3      PRO  91  -7.230 -13.670   0.970

  No H/Q in entry =           7
  In of MODEL   21
    1    H    LYS  92           H        LYS  92  -4.423  -9.248  -1.160
    2    HA   LYS  92           HA       LYS  92  -3.189 -10.501  -3.502
    3    HB2  LYS  92           HB2      LYS  92  -5.133  -8.968  -3.894
    4    HB3  LYS  92           HB3      LYS  92  -4.113  -7.663  -3.310
    5    HG2  LYS  92           HG2      LYS  92  -4.063  -7.759  -5.741
    6    HG3  LYS  92           HG3      LYS  92  -2.480  -8.166  -5.063
    7    HD2  LYS  92           HD2      LYS  92  -2.950  -9.727  -6.789
    8    HD3  LYS  92           HD3      LYS  92  -3.111 -10.554  -5.242
    9    HE2  LYS  92           HE2      LYS  92  -4.933 -11.297  -6.511
   10    HE3  LYS  92           HE3      LYS  92  -5.594 -10.086  -5.420
   11    HZ1  LYS  92           HZ1      LYS  92  -5.364  -8.466  -7.298
   12    HZ2  LYS  92           HZ2      LYS  92  -4.987  -9.777  -8.302
   13    HZ3  LYS  92           HZ3      LYS  92  -6.502  -9.700  -7.549

  No H/Q in entry =          13
  In of MODEL   21
    1    H    ILE  93           H        ILE  93  -1.043 -10.335  -3.678
    2    HA   ILE  93           HA       ILE  93   0.333  -8.229  -2.149
    3    HB   ILE  93           HB       ILE  93   1.438 -10.868  -3.089
    4   HG12  ILE  93          HG12      ILE  93   0.605  -9.799  -0.422
    5   HG13  ILE  93          HG13      ILE  93   0.301 -11.347  -1.171
    6   HG21  ILE  93          HG21      ILE  93   3.102  -9.107  -3.285
    7   HG22  ILE  93          HG22      ILE  93   2.800  -8.667  -1.599
    8   HG23  ILE  93          HG23      ILE  93   3.475 -10.242  -1.982
    9   HD11  ILE  93          HD11      ILE  93   2.932 -10.505  -0.159
   10   HD12  ILE  93          HD12      ILE  93   1.754 -11.457   0.747
   11   HD13  ILE  93          HD13      ILE  93   2.464 -12.102  -0.738

  No H/Q in entry =          11
  In of MODEL   21
    1    H    VAL  94           H        VAL  94   1.335  -6.729  -3.263
    2    HA   VAL  94           HA       VAL  94   2.373  -7.398  -5.923
    3    HB   VAL  94           HB       VAL  94   1.107  -4.746  -5.189
    4   HG11  VAL  94          HG11      VAL  94   3.036  -4.497  -6.671
    5   HG12  VAL  94          HG12      VAL  94   2.331  -5.669  -7.784
    6   HG13  VAL  94          HG13      VAL  94   1.530  -4.123  -7.508
    7   HG21  VAL  94          HG21      VAL  94  -0.545  -6.523  -5.603
    8   HG22  VAL  94          HG22      VAL  94  -0.576  -5.288  -6.863
    9   HG23  VAL  94          HG23      VAL  94   0.207  -6.839  -7.166

  No H/Q in entry =           9
  In of MODEL   21
    1    H    LYS  95           H        LYS  95   4.416  -6.764  -6.247
    2    HA   LYS  95           HA       LYS  95   5.826  -5.939  -3.849
    3    HB2  LYS  95           HB2      LYS  95   7.522  -7.190  -4.616
    4    HB3  LYS  95           HB3      LYS  95   6.395  -7.765  -5.830
    5    HG2  LYS  95           HG2      LYS  95   7.269  -6.349  -7.468
    6    HG3  LYS  95           HG3      LYS  95   8.100  -5.342  -6.270
    7    HD2  LYS  95           HD2      LYS  95   9.285  -7.580  -5.652
    8    HD3  LYS  95           HD3      LYS  95   8.796  -8.060  -7.271
    9    HE2  LYS  95           HE2      LYS  95  11.115  -6.879  -6.755
   10    HE3  LYS  95           HE3      LYS  95  10.254  -6.648  -8.280
   11    HZ1  LYS  95           HZ1      LYS  95   9.319  -4.594  -7.358
   12    HZ2  LYS  95           HZ2      LYS  95  10.196  -4.828  -5.922
   13    HZ3  LYS  95           HZ3      LYS  95  11.010  -4.554  -7.377

  No H/Q in entry =          13
  In of MODEL   21
    1    H    TRP  96           H        TRP  96   7.198  -4.166  -3.720
    2    HA   TRP  96           HA       TRP  96   6.081  -1.854  -4.956
    3    HB2  TRP  96           HB2      TRP  96   6.893  -1.704  -2.676
    4    HB3  TRP  96           HB3      TRP  96   8.521  -2.177  -3.163
    5    HD1  TRP  96           HD1      TRP  96   6.061   0.725  -3.997
    6    HE1  TRP  96           HE1      TRP  96   7.413   2.885  -4.180
    7    HE3  TRP  96           HE3      TRP  96  10.727  -1.192  -3.189
    8    HZ2  TRP  96           HZ2      TRP  96  10.108   3.695  -3.980
    9    HZ3  TRP  96           HZ3      TRP  96  12.650   0.341  -3.206
   10    HH2  TRP  96           HH2      TRP  96  12.341   2.753  -3.606

  No H/Q in entry =          10
  In of MODEL   21
    1    H    ASP  97           H        ASP  97   6.530  -1.066  -6.863
    2    HA   ASP  97           HA       ASP  97   9.186  -1.554  -8.025
    3    HB2  ASP  97           HB2      ASP  97   8.186  -1.251 -10.209
    4    HB3  ASP  97           HB3      ASP  97   7.242  -2.442  -9.323

  No H/Q in entry =           4
  In of MODEL   21
    1    H    ARG  98           H        ARG  98  10.489   0.086  -8.383
    2    HA   ARG  98           HA       ARG  98   9.454   2.801  -8.098
    3    HB2  ARG  98           HB2      ARG  98  11.730   3.474  -7.788
    4    HB3  ARG  98           HB3      ARG  98  11.492   2.033  -6.833
    5    HG2  ARG  98           HG2      ARG  98  13.409   1.353  -7.731
    6    HG3  ARG  98           HG3      ARG  98  12.430   0.977  -9.149
    7    HD2  ARG  98           HD2      ARG  98  14.392   2.241  -9.812
    8    HD3  ARG  98           HD3      ARG  98  12.936   3.208 -10.066
    9    HE   ARG  98           HE       ARG  98  14.025   3.766  -7.520
   10   HH11  ARG  98          HH11      ARG  98  14.589   4.347 -10.929
   11   HH12  ARG  98          HH12      ARG  98  15.501   5.801 -10.662
   12   HH21  ARG  98          HH21      ARG  98  15.238   5.686  -7.163
   13   HH22  ARG  98          HH22      ARG  98  15.879   6.548  -8.525

  No H/Q in entry =          13
  In of MODEL   21
    1    H    ASP  99           H        ASP  99  10.908   0.591 -10.324
    2    HA   ASP  99           HA       ASP  99  10.010   2.169 -12.590
    3    HB2  ASP  99           HB2      ASP  99  12.371   2.909 -12.011
    4    HB3  ASP  99           HB3      ASP  99  12.885   1.270 -12.391

  No H/Q in entry =           4
  In of MODEL   21
    1    H    MET 100           H        MET 100  10.377  -0.635 -10.999
    2    HA   MET 100           HA       MET 100  11.284  -2.487 -12.919
    3    HB2  MET 100           HB2      MET 100   9.465  -3.089 -10.580
    4    HB3  MET 100           HB3      MET 100  10.581  -4.187 -11.381
    5    HG2  MET 100           HG2      MET 100  11.333  -1.790  -9.726
    6    HG3  MET 100           HG3      MET 100  11.439  -3.476  -9.229
    7    HE1  MET 100           HE1      MET 100  12.508  -4.935 -11.793
    8    HE2  MET 100           HE2      MET 100  14.251  -4.864 -11.538
    9    HE3  MET 100           HE3      MET 100  13.175  -5.202 -10.183

  No H/Q in entry =           9
  In of MODEL   22
    1    HA   ILE   2           HA       ILE   2 -21.154  -9.443  -4.200
    2    HB   ILE   2           HB       ILE   2 -22.605  -7.420  -4.597
    3   HG12  ILE   2          HG12      ILE   2 -24.198  -8.563  -2.284
    4   HG13  ILE   2          HG13      ILE   2 -23.359  -7.013  -2.289
    5   HG21  ILE   2          HG21      ILE   2 -23.016  -9.524  -5.724
    6   HG22  ILE   2          HG22      ILE   2 -23.996 -10.085  -4.371
    7   HG23  ILE   2          HG23      ILE   2 -24.541  -8.723  -5.350
    8   HD11  ILE   2          HD11      ILE   2 -24.849  -6.228  -4.063
    9   HD12  ILE   2          HD12      ILE   2 -25.700  -7.771  -4.021
   10   HD13  ILE   2          HD13      ILE   2 -25.732  -6.708  -2.613

  No H/Q in entry =          10
  In of MODEL   22
    1    H    GLN   3           H        GLN   3 -19.950  -7.564  -4.537
    2    HA   GLN   3           HA       GLN   3 -19.458  -5.473  -2.786
    3    HB2  GLN   3           HB2      GLN   3 -18.732  -7.378  -1.241
    4    HB3  GLN   3           HB3      GLN   3 -17.448  -7.720  -2.386
    5    HG2  GLN   3           HG2      GLN   3 -16.535  -6.440  -0.585
    6    HG3  GLN   3           HG3      GLN   3 -16.577  -5.426  -2.027
    7   HE21  GLN   3          HE21      GLN   3 -16.538  -3.531  -0.839
    8   HE22  GLN   3          HE22      GLN   3 -17.902  -2.972   0.068

  No H/Q in entry =           8
  In of MODEL   22
    1    H    ARG   4           H        ARG   4 -17.062  -4.617  -3.264
    2    HA   ARG   4           HA       ARG   4 -16.552  -5.151  -6.107
    3    HB2  ARG   4           HB2      ARG   4 -17.523  -2.947  -5.838
    4    HB3  ARG   4           HB3      ARG   4 -16.395  -2.564  -4.544
    5    HG2  ARG   4           HG2      ARG   4 -14.614  -2.232  -5.988
    6    HG3  ARG   4           HG3      ARG   4 -15.351  -3.189  -7.286
    7    HD2  ARG   4           HD2      ARG   4 -15.337  -0.723  -7.701
    8    HD3  ARG   4           HD3      ARG   4 -16.946  -1.448  -7.742
    9    HE   ARG   4           HE       ARG   4 -17.168  -0.590  -5.388
   10   HH11  ARG   4          HH11      ARG   4 -15.039   0.931  -7.701
   11   HH12  ARG   4          HH12      ARG   4 -15.101   2.489  -6.945
   12   HH21  ARG   4          HH21      ARG   4 -17.250   1.454  -4.364
   13   HH22  ARG   4          HH22      ARG   4 -16.355   2.787  -5.036

  No H/Q in entry =          13
  In of MODEL   22
    1    H    THR   5           H        THR   5 -14.394  -5.417  -6.713
    2    HA   THR   5           HA       THR   5 -12.733  -6.346  -4.598
    3    HB   THR   5           HB       THR   5 -11.191  -7.113  -6.271
    4    HG1  THR   5           HG1      THR   5 -11.725  -4.963  -7.542
    5   HG21  THR   5          HG21      THR   5 -14.046  -7.378  -7.219
    6   HG22  THR   5          HG22      THR   5 -12.695  -8.319  -7.852
    7   HG23  THR   5          HG23      THR   5 -13.161  -8.475  -6.163

  No H/Q in entry =           7
  In of MODEL   22
    1    HA   PRO   6           HA       PRO   6 -10.603  -2.415  -4.090
    2    HB2  PRO   6           HB2      PRO   6  -8.959  -3.766  -2.119
    3    HB3  PRO   6           HB3      PRO   6 -10.143  -2.482  -1.873
    4    HG2  PRO   6           HG2      PRO   6 -10.468  -5.077  -1.018
    5    HG3  PRO   6           HG3      PRO   6 -11.811  -3.949  -1.335
    6    HD2  PRO   6           HD2      PRO   6 -10.770  -6.203  -3.006
    7    HD3  PRO   6           HD3      PRO   6 -12.429  -5.574  -2.827

  No H/Q in entry =           7
  In of MODEL   22
    1    H    LYS   7           H        LYS   7  -8.910  -1.807  -5.324
    2    HA   LYS   7           HA       LYS   7  -7.115  -3.941  -6.235
    3    HB2  LYS   7           HB2      LYS   7  -8.380  -2.839  -8.001
    4    HB3  LYS   7           HB3      LYS   7  -7.786  -1.267  -7.489
    5    HG2  LYS   7           HG2      LYS   7  -5.585  -1.757  -8.229
    6    HG3  LYS   7           HG3      LYS   7  -5.970  -3.464  -8.448
    7    HD2  LYS   7           HD2      LYS   7  -7.258  -1.228 -10.011
    8    HD3  LYS   7           HD3      LYS   7  -5.867  -2.160 -10.572
    9    HE2  LYS   7           HE2      LYS   7  -7.196  -4.217 -10.407
   10    HE3  LYS   7           HE3      LYS   7  -8.583  -3.272  -9.873
   11    HZ1  LYS   7           HZ1      LYS   7  -7.237  -2.801 -12.472
   12    HZ2  LYS   7           HZ2      LYS   7  -8.522  -3.894 -12.291
   13    HZ3  LYS   7           HZ3      LYS   7  -8.760  -2.245 -11.968

  No H/Q in entry =          13
  In of MODEL   22
    1    H    ILE   8           H        ILE   8  -4.888  -3.554  -6.442
    2    HA   ILE   8           HA       ILE   8  -3.905  -1.927  -4.210
    3    HB   ILE   8           HB       ILE   8  -2.632  -4.245  -5.696
    4   HG12  ILE   8          HG12      ILE   8  -2.739  -5.470  -3.639
    5   HG13  ILE   8          HG13      ILE   8  -3.250  -4.044  -2.759
    6   HG21  ILE   8          HG21      ILE   8  -1.468  -2.526  -3.523
    7   HG22  ILE   8          HG22      ILE   8  -0.772  -4.041  -4.097
    8   HG23  ILE   8          HG23      ILE   8  -0.904  -2.662  -5.188
    9   HD11  ILE   8          HD11      ILE   8  -4.912  -5.339  -4.882
   10   HD12  ILE   8          HD12      ILE   8  -4.999  -5.759  -3.172
   11   HD13  ILE   8          HD13      ILE   8  -5.405  -4.124  -3.702

  No H/Q in entry =          11
  In of MODEL   22
    1    H    GLN   9           H        GLN   9  -3.097   0.014  -4.759
    2    HA   GLN   9           HA       GLN   9  -1.251   0.052  -7.053
    3    HB2  GLN   9           HB2      GLN   9  -3.012   2.270  -6.000
    4    HB3  GLN   9           HB3      GLN   9  -1.701   2.530  -7.159
    5    HG2  GLN   9           HG2      GLN   9  -2.834   0.967  -8.707
    6    HG3  GLN   9           HG3      GLN   9  -4.164   0.838  -7.558
    7   HE21  GLN   9          HE21      GLN   9  -2.410   3.799  -8.164
    8   HE22  GLN   9          HE22      GLN   9  -3.715   4.639  -8.942

  No H/Q in entry =           8
  In of MODEL   22
    1    H    VAL  10           H        VAL  10   0.786   0.202  -6.415
    2    HA   VAL  10           HA       VAL  10   1.389   1.638  -3.928
    3    HB   VAL  10           HB       VAL  10   1.599  -0.594  -3.198
    4   HG11  VAL  10          HG11      VAL  10   1.407  -1.637  -5.422
    5   HG12  VAL  10          HG12      VAL  10   3.117  -1.297  -5.702
    6   HG13  VAL  10          HG13      VAL  10   2.631  -2.390  -4.400
    7   HG21  VAL  10          HG21      VAL  10   4.326   0.334  -4.091
    8   HG22  VAL  10          HG22      VAL  10   3.546   0.631  -2.536
    9   HG23  VAL  10          HG23      VAL  10   4.050  -1.004  -2.974

  No H/Q in entry =           9
  In of MODEL   22
    1    H    TYR  11           H        TYR  11   2.960   3.080  -4.073
    2    HA   TYR  11           HA       TYR  11   5.069   2.865  -6.019
    3    HB2  TYR  11           HB2      TYR  11   4.545   5.097  -7.065
    4    HB3  TYR  11           HB3      TYR  11   3.426   3.812  -7.501
    5    HD1  TYR  11           HD1      TYR  11   3.824   6.949  -5.619
    6    HD2  TYR  11           HD2      TYR  11   1.118   3.883  -6.798
    7    HE1  TYR  11           HE1      TYR  11   1.931   8.358  -4.926
    8    HE2  TYR  11           HE2      TYR  11  -0.780   5.285  -6.110
    9    HH   TYR  11           HH       TYR  11  -1.165   7.181  -4.486

  No H/Q in entry =           9
  In of MODEL   22
    1    H    SER  12           H        SER  12   6.569   4.748  -5.847
    2    HA   SER  12           HA       SER  12   6.971   5.410  -3.072
    3    HB2  SER  12           HB2      SER  12   8.894   6.761  -4.541
    4    HB3  SER  12           HB3      SER  12   9.070   5.084  -4.003
    5    HG   SER  12           HG       SER  12   8.946   6.012  -6.487

  No H/Q in entry =           5
  In of MODEL   22
    1    H    ARG  13           H        ARG  13   6.598   7.369  -2.103
    2    HA   ARG  13           HA       ARG  13   4.814   9.185  -3.375
    3    HB2  ARG  13           HB2      ARG  13   5.429   8.689  -0.814
    4    HB3  ARG  13           HB3      ARG  13   6.435  10.104  -1.034
    5    HG2  ARG  13           HG2      ARG  13   3.481   9.836  -0.902
    6    HG3  ARG  13           HG3      ARG  13   4.518  11.104  -0.268
    7    HD2  ARG  13           HD2      ARG  13   4.476  12.314  -2.267
    8    HD3  ARG  13           HD3      ARG  13   4.109  10.875  -3.233
    9    HE   ARG  13           HE       ARG  13   2.106  11.891  -1.346
   10   HH11  ARG  13          HH11      ARG  13   3.129  11.379  -4.664
   11   HH12  ARG  13          HH12      ARG  13   1.566  11.731  -5.322
   12   HH21  ARG  13          HH21      ARG  13   0.069  12.358  -2.211
   13   HH22  ARG  13          HH22      ARG  13  -0.189  12.280  -3.929

  No H/Q in entry =          13
  In of MODEL   22
    1    H    HIS  14           H        HIS  14   8.248   9.435  -2.541
    2    HA   HIS  14           HA       HIS  14   8.523  11.529  -4.567
    3    HB2  HIS  14           HB2      HIS  14  10.035  11.041  -1.999
    4    HB3  HIS  14           HB3      HIS  14  10.719  12.043  -3.273
    5    HD2  HIS  14           HD2      HIS  14   7.351  13.201  -3.640
    6    HE1  HIS  14           HE1      HIS  14   8.622  15.177  -0.117
    7    HE2  HIS  14           HE2      HIS  14   6.944  15.190  -2.025

  No H/Q in entry =           7
  In of MODEL   22
    1    HA   PRO  15           HA       PRO  15  11.432   8.999  -6.880
    2    HB2  PRO  15           HB2      PRO  15  13.914  10.224  -6.692
    3    HB3  PRO  15           HB3      PRO  15  12.648  10.664  -7.856
    4    HG2  PRO  15           HG2      PRO  15  13.367  11.983  -5.234
    5    HG3  PRO  15           HG3      PRO  15  12.863  12.729  -6.790
    6    HD2  PRO  15           HD2      PRO  15  11.144  12.460  -4.711
    7    HD3  PRO  15           HD3      PRO  15  10.606  12.291  -6.409

  No H/Q in entry =           7
  In of MODEL   22
    1    H    ALA  16           H        ALA  16  12.173   7.083  -6.268
    2    HA   ALA  16           HA       ALA  16  13.003   6.502  -3.633
    3    HB1  ALA  16           HB1      ALA  16  11.830   4.890  -5.067
    4    HB2  ALA  16           HB2      ALA  16  13.234   4.823  -6.126
    5    HB3  ALA  16           HB3      ALA  16  13.355   4.241  -4.468

  No H/Q in entry =           5
  In of MODEL   22
    1    H    GLU  17           H        GLU  17  14.984   6.803  -2.789
    2    HA   GLU  17           HA       GLU  17  17.272   6.575  -4.611
    3    HB2  GLU  17           HB2      GLU  17  16.598   8.891  -3.490
    4    HB3  GLU  17           HB3      GLU  17  17.463   8.222  -2.116
    5    HG2  GLU  17           HG2      GLU  17  18.737   8.341  -4.822
    6    HG3  GLU  17           HG3      GLU  17  18.702   9.754  -3.785

  No H/Q in entry =           6
  In of MODEL   22
    1    H    ASN  18           H        ASN  18  18.631   5.039  -4.169
    2    HA   ASN  18           HA       ASN  18  18.187   3.342  -1.874
    3    HB2  ASN  18           HB2      ASN  18  18.564   2.019  -3.700
    4    HB3  ASN  18           HB3      ASN  18  19.721   3.134  -4.425
    5   HD21  ASN  18          HD21      ASN  18  21.228   1.587  -4.871
    6   HD22  ASN  18          HD22      ASN  18  22.130   0.741  -3.653

  No H/Q in entry =           6
  In of MODEL   22
    1    H    GLY  19           H        GLY  19  19.228   3.327  -0.056
    2    HA2  GLY  19           HA2      GLY  19  21.845   4.585   0.231
    3    HA3  GLY  19           HA3      GLY  19  20.936   3.737   1.493

  No H/Q in entry =           3
  In of MODEL   22
    1    H    LYS  20           H        LYS  20  18.532   5.307   0.564
    2    HA   LYS  20           HA       LYS  20  19.116   7.790   2.016
    3    HB2  LYS  20           HB2      LYS  20  19.189   8.032  -0.541
    4    HB3  LYS  20           HB3      LYS  20  17.463   7.712  -0.489
    5    HG2  LYS  20           HG2      LYS  20  17.624  10.030  -0.561
    6    HG3  LYS  20           HG3      LYS  20  17.246   9.654   1.114
    7    HD2  LYS  20           HD2      LYS  20  20.100   9.917   0.360
    8    HD3  LYS  20           HD3      LYS  20  19.157  11.397   0.392
    9    HE2  LYS  20           HE2      LYS  20  20.100  11.355   2.517
   10    HE3  LYS  20           HE3      LYS  20  18.545  10.595   2.842
   11    HZ1  LYS  20           HZ1      LYS  20  20.975   9.023   2.195
   12    HZ2  LYS  20           HZ2      LYS  20  20.605   9.489   3.782
   13    HZ3  LYS  20           HZ3      LYS  20  19.550   8.478   2.927

  No H/Q in entry =          13
  In of MODEL   22
    1    H    SER  21           H        SER  21  17.276   8.822   2.841
    2    HA   SER  21           HA       SER  21  15.227   6.984   3.692
    3    HB2  SER  21           HB2      SER  21  15.625   9.929   4.211
    4    HB3  SER  21           HB3      SER  21  14.459   8.896   5.039
    5    HG   SER  21           HG       SER  21  16.998   9.316   5.658

  No H/Q in entry =           5
  In of MODEL   22
    1    H    ASN  22           H        ASN  22  13.115   6.990   3.060
    2    HA   ASN  22           HA       ASN  22  12.176   8.958   1.120
    3    HB2  ASN  22           HB2      ASN  22  13.518   6.976  -0.014
    4    HB3  ASN  22           HB3      ASN  22  12.073   6.043   0.351
    5   HD21  ASN  22          HD21      ASN  22  10.322   6.235  -0.913
    6   HD22  ASN  22          HD22      ASN  22  10.228   7.277  -2.286

  No H/Q in entry =           6
  In of MODEL   22
    1    H    PHE  23           H        PHE  23   9.833   8.109   0.345
    2    HA   PHE  23           HA       PHE  23   8.474   7.055   2.733
    3    HB2  PHE  23           HB2      PHE  23   7.684   9.364   0.951
    4    HB3  PHE  23           HB3      PHE  23   6.545   8.560   2.017
    5    HD1  PHE  23           HD1      PHE  23   6.183   9.452   4.091
    6    HD2  PHE  23           HD2      PHE  23   9.886  10.235   2.144
    7    HE1  PHE  23           HE1      PHE  23   6.810  10.983   5.912
    8    HE2  PHE  23           HE2      PHE  23  10.528  11.758   3.969
    9    HZ   PHE  23           HZ       PHE  23   8.989  12.124   5.860

  No H/Q in entry =           9
  In of MODEL   22
    1    H    LEU  24           H        LEU  24   7.366   5.250   2.273
    2    HA   LEU  24           HA       LEU  24   6.801   4.516  -0.481
    3    HB2  LEU  24           HB2      LEU  24   7.285   3.144   1.860
    4    HB3  LEU  24           HB3      LEU  24   5.565   2.899   1.618
    5    HG   LEU  24           HG       LEU  24   7.826   2.070  -0.230
    6   HD11  LEU  24          HD11      LEU  24   7.443   0.607   1.685
    7   HD12  LEU  24          HD12      LEU  24   5.732   0.492   1.268
    8   HD13  LEU  24          HD13      LEU  24   6.952  -0.182   0.184
    9   HD21  LEU  24          HD21      LEU  24   4.847   1.920  -0.718
   10   HD22  LEU  24          HD22      LEU  24   6.027   2.836  -1.653
   11   HD23  LEU  24          HD23      LEU  24   6.068   1.074  -1.666

  No H/Q in entry =          11
  In of MODEL   22
    1    H    ASN  25           H        ASN  25   4.635   3.933  -1.156
    2    HA   ASN  25           HA       ASN  25   2.447   4.959   0.469
    3    HB2  ASN  25           HB2      ASN  25   2.870   6.846  -0.942
    4    HB3  ASN  25           HB3      ASN  25   3.010   5.830  -2.375
    5   HD21  ASN  25          HD21      ASN  25   0.900   7.442  -0.192
    6   HD22  ASN  25          HD22      ASN  25  -0.562   7.155  -1.059

  No H/Q in entry =           6
  In of MODEL   22
    1    H    CYS  26           H        CYS  26   0.837   3.576   0.539
    2    HA   CYS  26           HA       CYS  26   0.494   1.669  -1.665
    3    HB2  CYS  26           HB2      CYS  26   1.500   0.771   0.559
    4    HB3  CYS  26           HB3      CYS  26  -0.152   0.947   1.168

  No H/Q in entry =           4
  In of MODEL   22
    1    H    TYR  27           H        TYR  27  -1.424   1.842  -2.554
    2    HA   TYR  27           HA       TYR  27  -3.547   3.196  -1.037
    3    HB2  TYR  27           HB2      TYR  27  -2.275   3.956  -3.538
    4    HB3  TYR  27           HB3      TYR  27  -4.002   3.708  -3.750
    5    HD1  TYR  27           HD1      TYR  27  -5.528   4.951  -1.967
    6    HD2  TYR  27           HD2      TYR  27  -1.508   6.007  -2.860
    7    HE1  TYR  27           HE1      TYR  27  -5.957   7.239  -1.181
    8    HE2  TYR  27           HE2      TYR  27  -1.920   8.290  -2.052
    9    HH   TYR  27           HH       TYR  27  -3.671   9.807  -1.633

  No H/Q in entry =           9
  In of MODEL   22
    1    H    VAL  28           H        VAL  28  -4.729   1.444  -0.567
    2    HA   VAL  28           HA       VAL  28  -5.605  -0.151  -2.835
    3    HB   VAL  28           HB       VAL  28  -4.676  -1.373  -0.895
    4   HG11  VAL  28          HG11      VAL  28  -6.827  -0.012   0.513
    5   HG12  VAL  28          HG12      VAL  28  -6.369  -1.654   0.991
    6   HG13  VAL  28          HG13      VAL  28  -5.157  -0.374   0.989
    7   HG21  VAL  28          HG21      VAL  28  -7.462  -1.890  -1.822
    8   HG22  VAL  28          HG22      VAL  28  -5.962  -2.684  -2.291
    9   HG23  VAL  28          HG23      VAL  28  -6.658  -2.976  -0.695

  No H/Q in entry =           9
  In of MODEL   22
    1    H    SER  29           H        SER  29  -7.364   0.510  -3.766
    2    HA   SER  29           HA       SER  29  -9.523   1.648  -2.184
    3    HB2  SER  29           HB2      SER  29  -8.170   3.184  -4.417
    4    HB3  SER  29           HB3      SER  29  -9.620   3.694  -3.552
    5    HG   SER  29           HG       SER  29  -7.622   3.055  -1.837

  No H/Q in entry =           5
  In of MODEL   22
    1    H    GLY  30           H        GLY  30 -11.250   2.497  -3.938
    2    HA2  GLY  30           HA2      GLY  30 -11.492   0.586  -6.120
    3    HA3  GLY  30           HA3      GLY  30 -12.557   1.953  -5.798

  No H/Q in entry =           3
  In of MODEL   22
    1    H    PHE  31           H        PHE  31 -12.627   1.167  -2.941
    2    HA   PHE  31           HA       PHE  31 -14.832  -0.719  -3.193
    3    HB2  PHE  31           HB2      PHE  31 -14.054  -2.037  -1.282
    4    HB3  PHE  31           HB3      PHE  31 -12.793  -2.015  -2.530
    5    HD1  PHE  31           HD1      PHE  31 -10.884  -0.321  -2.252
    6    HD2  PHE  31           HD2      PHE  31 -13.580  -1.350   0.877
    7    HE1  PHE  31           HE1      PHE  31  -9.305   0.574  -0.599
    8    HE2  PHE  31           HE2      PHE  31 -11.991  -0.470   2.530
    9    HZ   PHE  31           HZ       PHE  31  -9.869   0.522   1.779

  No H/Q in entry =           9
  In of MODEL   22
    1    H    HIS  32           H        HIS  32 -16.270  -0.565  -1.172
    2    HA   HIS  32           HA       HIS  32 -15.650   1.505   0.697
    3    HB2  HIS  32           HB2      HIS  32 -17.494   3.017   0.195
    4    HB3  HIS  32           HB3      HIS  32 -16.489   2.840  -1.237
    5    HD2  HIS  32           HD2      HIS  32 -20.104   2.312  -0.067
    6    HE1  HIS  32           HE1      HIS  32 -19.824   0.975  -4.071
    7    HE2  HIS  32           HE2      HIS  32 -21.409   1.664  -2.215

  No H/Q in entry =           7
  In of MODEL   22
    1    HA   PRO  33           HA       PRO  33 -17.449   2.942   1.865
    2    HB2  PRO  33           HB2      PRO  33 -18.461   2.739   4.517
    3    HB3  PRO  33           HB3      PRO  33 -19.257   3.441   3.109
    4    HG2  PRO  33           HG2      PRO  33 -20.105   1.166   4.427
    5    HG3  PRO  33           HG3      PRO  33 -20.522   1.583   2.755
    6    HD2  PRO  33           HD2      PRO  33 -18.415  -0.286   3.777
    7    HD3  PRO  33           HD3      PRO  33 -19.514  -0.473   2.391

  No H/Q in entry =           7
  In of MODEL   22
    1    H    SER  34           H        SER  34 -15.167   2.798   2.001
    2    HA   SER  34           HA       SER  34 -13.029   2.606   3.000
    3    HB2  SER  34           HB2      SER  34 -14.584   2.789   5.610
    4    HB3  SER  34           HB3      SER  34 -12.855   3.060   5.391
    5    HG   SER  34           HG       SER  34 -14.901   4.781   5.072

  No H/Q in entry =           5
  In of MODEL   22
    1    H    ASP  35           H        ASP  35 -12.137   1.182   5.309
    2    HA   ASP  35           HA       ASP  35 -11.938  -0.692   6.374
    3    HB2  ASP  35           HB2      ASP  35 -14.737  -1.029   5.480
    4    HB3  ASP  35           HB3      ASP  35 -13.872  -2.451   6.057

  No H/Q in entry =           4
  In of MODEL   22
    1    H    ILE  36           H        ILE  36 -10.204  -1.230   5.141
    2    HA   ILE  36           HA       ILE  36 -10.451  -4.045   4.480
    3    HB   ILE  36           HB       ILE  36 -10.324  -2.655   2.305
    4   HG12  ILE  36          HG12      ILE  36  -8.513  -4.923   3.066
    5   HG13  ILE  36          HG13      ILE  36  -9.900  -4.923   1.982
    6   HG21  ILE  36          HG21      ILE  36  -8.597  -1.105   3.255
    7   HG22  ILE  36          HG22      ILE  36  -7.446  -2.433   3.160
    8   HG23  ILE  36          HG23      ILE  36  -8.171  -1.790   1.684
    9   HD11  ILE  36          HD11      ILE  36  -7.227  -3.683   1.392
   10   HD12  ILE  36          HD12      ILE  36  -7.784  -5.240   0.788
   11   HD13  ILE  36          HD13      ILE  36  -8.597  -3.756   0.286

  No H/Q in entry =          11
  In of MODEL   22
    1    H    GLU  37           H        GLU  37  -8.403  -5.186   4.953
    2    HA   GLU  37           HA       GLU  37  -6.545  -3.528   6.490
    3    HB2  GLU  37           HB2      GLU  37  -7.666  -5.641   7.489
    4    HB3  GLU  37           HB3      GLU  37  -6.557  -6.528   6.448
    5    HG2  GLU  37           HG2      GLU  37  -5.690  -6.291   8.735
    6    HG3  GLU  37           HG3      GLU  37  -4.649  -5.498   7.551

  No H/Q in entry =           6
  In of MODEL   22
    1    H    VAL  38           H        VAL  38  -4.702  -3.043   5.585
    2    HA   VAL  38           HA       VAL  38  -3.599  -4.780   3.514
    3    HB   VAL  38           HB       VAL  38  -4.170  -3.317   1.931
    4   HG11  VAL  38          HG11      VAL  38  -5.817  -2.357   3.362
    5   HG12  VAL  38          HG12      VAL  38  -4.621  -1.275   4.075
    6   HG13  VAL  38          HG13      VAL  38  -5.067  -1.101   2.373
    7   HG21  VAL  38          HG21      VAL  38  -2.121  -1.529   3.251
    8   HG22  VAL  38          HG22      VAL  38  -1.848  -2.664   1.928
    9   HG23  VAL  38          HG23      VAL  38  -2.840  -1.222   1.664

  No H/Q in entry =           9
  In of MODEL   22
    1    H    ASP  39           H        ASP  39  -1.375  -4.720   3.303
    2    HA   ASP  39           HA       ASP  39   0.057  -3.575   5.578
    3    HB2  ASP  39           HB2      ASP  39   0.038  -5.479   6.764
    4    HB3  ASP  39           HB3      ASP  39  -0.982  -6.219   5.544

  No H/Q in entry =           4
  In of MODEL   22
    1    H    LEU  40           H        LEU  40   2.298  -3.493   5.306
    2    HA   LEU  40           HA       LEU  40   3.120  -3.802   2.507
    3    HB2  LEU  40           HB2      LEU  40   4.594  -2.251   4.616
    4    HB3  LEU  40           HB3      LEU  40   4.746  -2.127   2.876
    5    HG   LEU  40           HG       LEU  40   2.423  -1.205   4.544
    6   HD11  LEU  40          HD11      LEU  40   4.448   0.201   4.638
    7   HD12  LEU  40          HD12      LEU  40   4.394   0.354   2.879
    8   HD13  LEU  40          HD13      LEU  40   3.088   1.013   3.864
    9   HD21  LEU  40          HD21      LEU  40   2.769  -1.274   1.563
   10   HD22  LEU  40          HD22      LEU  40   1.462  -1.970   2.529
   11   HD23  LEU  40          HD23      LEU  40   1.619  -0.216   2.383

  No H/Q in entry =          11
  In of MODEL   22
    1    H    LEU  41           H        LEU  41   4.861  -4.984   1.952
    2    HA   LEU  41           HA       LEU  41   5.875  -6.769   4.047
    3    HB2  LEU  41           HB2      LEU  41   5.942  -7.391   1.136
    4    HB3  LEU  41           HB3      LEU  41   6.052  -8.485   2.481
    5    HG   LEU  41           HG       LEU  41   3.540  -7.016   1.709
    6   HD11  LEU  41          HD11      LEU  41   4.400  -8.629   0.006
    7   HD12  LEU  41          HD12      LEU  41   4.271  -9.898   1.220
    8   HD13  LEU  41          HD13      LEU  41   2.827  -9.049   0.670
    9   HD21  LEU  41          HD21      LEU  41   3.686  -7.677   4.082
   10   HD22  LEU  41          HD22      LEU  41   2.451  -8.587   3.212
   11   HD23  LEU  41          HD23      LEU  41   4.000  -9.339   3.585

  No H/Q in entry =          11
  In of MODEL   22
    1    H    LYS  42           H        LYS  42   7.807  -7.948   3.182
    2    HA   LYS  42           HA       LYS  42   9.807  -6.380   1.836
    3    HB2  LYS  42           HB2      LYS  42   9.977  -6.920   4.773
    4    HB3  LYS  42           HB3      LYS  42  11.449  -6.836   3.811
    5    HG2  LYS  42           HG2      LYS  42  10.975  -4.595   3.160
    6    HG3  LYS  42           HG3      LYS  42   9.373  -4.654   3.902
    7    HD2  LYS  42           HD2      LYS  42  12.076  -4.703   5.266
    8    HD3  LYS  42           HD3      LYS  42  10.828  -3.464   5.397
    9    HE2  LYS  42           HE2      LYS  42   9.360  -5.038   6.533
   10    HE3  LYS  42           HE3      LYS  42  10.564  -6.313   6.353
   11    HZ1  LYS  42           HZ1      LYS  42  12.076  -4.998   7.730
   12    HZ2  LYS  42           HZ2      LYS  42  10.873  -3.824   7.944
   13    HZ3  LYS  42           HZ3      LYS  42  10.647  -5.392   8.559

  No H/Q in entry =          13
  In of MODEL   22
    1    H    ASN  43           H        ASN  43  10.134  -7.918   0.363
    2    HA   ASN  43           HA       ASN  43  10.702  -9.857  -0.630
    3    HB2  ASN  43           HB2      ASN  43  12.066 -10.280   2.011
    4    HB3  ASN  43           HB3      ASN  43  12.077 -11.540   0.782
    5   HD21  ASN  43          HD21      ASN  43  13.340  -8.513   1.778
    6   HD22  ASN  43          HD22      ASN  43  14.468  -8.312   0.483

  No H/Q in entry =           6
  In of MODEL   22
    1    H    GLY  44           H        GLY  44   8.726  -9.885   2.107
    2    HA2  GLY  44           HA2      GLY  44   7.850 -12.632   1.741
    3    HA3  GLY  44           HA3      GLY  44   6.721 -11.383   1.215

  No H/Q in entry =           3
  In of MODEL   22
    1    H    GLU  45           H        GLU  45   8.359 -10.062   3.711
    2    HA   GLU  45           HA       GLU  45   6.712 -11.320   5.785
    3    HB2  GLU  45           HB2      GLU  45   9.301  -9.816   6.004
    4    HB3  GLU  45           HB3      GLU  45   8.517 -10.738   7.286
    5    HG2  GLU  45           HG2      GLU  45   9.516 -11.880   4.703
    6    HG3  GLU  45           HG3      GLU  45  10.409 -11.880   6.197

  No H/Q in entry =           6
  In of MODEL   22
    1    H    ARG  46           H        ARG  46   5.739  -9.992   7.371
    2    HA   ARG  46           HA       ARG  46   4.708  -7.588   6.282
    3    HB2  ARG  46           HB2      ARG  46   3.444  -9.170   7.783
    4    HB3  ARG  46           HB3      ARG  46   4.444  -8.591   9.123
    5    HG2  ARG  46           HG2      ARG  46   3.531  -6.397   8.963
    6    HG3  ARG  46           HG3      ARG  46   2.753  -6.754   7.428
    7    HD2  ARG  46           HD2      ARG  46   1.222  -8.335   8.596
    8    HD3  ARG  46           HD3      ARG  46   1.990  -7.883  10.130
    9    HE   ARG  46           HE       ARG  46   0.936  -5.700   8.541
   10   HH11  ARG  46          HH11      ARG  46   0.378  -7.921  11.182
   11   HH12  ARG  46          HH12      ARG  46  -0.974  -7.031  11.816
   12   HH21  ARG  46          HH21      ARG  46  -0.840  -4.528   9.364
   13   HH22  ARG  46          HH22      ARG  46  -1.684  -5.104  10.768

  No H/Q in entry =          13
  In of MODEL   22
    1    H    ILE  47           H        ILE  47   5.138  -5.519   6.698
    2    HA   ILE  47           HA       ILE  47   7.382  -4.837   8.425
    3    HB   ILE  47           HB       ILE  47   5.684  -3.056   6.666
    4   HG12  ILE  47          HG12      ILE  47   8.447  -4.150   6.166
    5   HG13  ILE  47          HG13      ILE  47   6.983  -4.789   5.426
    6   HG21  ILE  47          HG21      ILE  47   6.758  -1.860   8.502
    7   HG22  ILE  47          HG22      ILE  47   8.318  -2.551   8.056
    8   HG23  ILE  47          HG23      ILE  47   7.505  -1.431   6.961
    9   HD11  ILE  47          HD11      ILE  47   8.030  -1.988   5.089
   10   HD12  ILE  47          HD12      ILE  47   8.202  -3.302   3.924
   11   HD13  ILE  47          HD13      ILE  47   6.602  -2.671   4.311

  No H/Q in entry =          11
  In of MODEL   22
    1    H    GLU  48           H        GLU  48   7.154  -3.760  10.331
    2    HA   GLU  48           HA       GLU  48   4.413  -3.664  11.315
    3    HB2  GLU  48           HB2      GLU  48   5.616  -3.484  13.580
    4    HB3  GLU  48           HB3      GLU  48   5.653  -5.018  12.733
    5    HG2  GLU  48           HG2      GLU  48   7.878  -3.028  12.598
    6    HG3  GLU  48           HG3      GLU  48   7.794  -4.277  13.823

  No H/Q in entry =           6
  In of MODEL   22
    1    H    LYS  49           H        LYS  49   7.275  -1.532  11.063
    2    HA   LYS  49           HA       LYS  49   6.115   0.690  12.280
    3    HB2  LYS  49           HB2      LYS  49   8.251   0.561  10.158
    4    HB3  LYS  49           HB3      LYS  49   7.893   1.963  11.161
    5    HG2  LYS  49           HG2      LYS  49   8.343  -0.451  12.692
    6    HG3  LYS  49           HG3      LYS  49   9.731   0.026  11.725
    7    HD2  LYS  49           HD2      LYS  49   9.663   2.229  12.724
    8    HD3  LYS  49           HD3      LYS  49   8.220   1.781  13.637
    9    HE2  LYS  49           HE2      LYS  49  10.200   1.642  15.050
   10    HE3  LYS  49           HE3      LYS  49   9.498   0.043  14.797
   11    HZ1  LYS  49           HZ1      LYS  49  11.175  -0.323  13.042
   12    HZ2  LYS  49           HZ2      LYS  49  11.883   1.166  13.425
   13    HZ3  LYS  49           HZ3      LYS  49  11.870  -0.083  14.569

  No H/Q in entry =          13
  In of MODEL   22
    1    H    VAL  50           H        VAL  50   4.853  -0.733   9.652
    2    HA   VAL  50           HA       VAL  50   4.233   1.475   8.006
    3    HB   VAL  50           HB       VAL  50   2.705  -1.087   8.465
    4   HG11  VAL  50          HG11      VAL  50   1.309   0.806   7.576
    5   HG12  VAL  50          HG12      VAL  50   2.400   0.863   6.186
    6   HG13  VAL  50          HG13      VAL  50   1.447  -0.589   6.496
    7   HG21  VAL  50          HG21      VAL  50   4.607  -0.178   6.336
    8   HG22  VAL  50          HG22      VAL  50   4.920  -1.395   7.571
    9   HG23  VAL  50          HG23      VAL  50   3.717  -1.700   6.318

  No H/Q in entry =           9
  In of MODEL   22
    1    H    GLU  51           H        GLU  51   2.615   2.910   8.028
    2    HA   GLU  51           HA       GLU  51   0.782   2.852  10.327
    3    HB2  GLU  51           HB2      GLU  51   1.339   4.978  10.937
    4    HB3  GLU  51           HB3      GLU  51   2.828   4.628  10.060
    5    HG2  GLU  51           HG2      GLU  51   2.457   6.297   8.756
    6    HG3  GLU  51           HG3      GLU  51   1.032   5.458   8.149

  No H/Q in entry =           6
  In of MODEL   22
    1    H    HIS  52           H        HIS  52  -1.268   3.697   9.958
    2    HA   HIS  52           HA       HIS  52  -1.737   4.624   7.238
    3    HB2  HIS  52           HB2      HIS  52  -4.128   3.926   7.520
    4    HB3  HIS  52           HB3      HIS  52  -2.979   2.595   7.511
    5    HD2  HIS  52           HD2      HIS  52  -2.326   1.803  10.334
    6    HE1  HIS  52           HE1      HIS  52  -6.290   2.729  11.480
    7    HE2  HIS  52           HE2      HIS  52  -4.198   1.433  12.089

  No H/Q in entry =           7
  In of MODEL   22
    1    H    SER  53           H        SER  53  -2.506   6.560   6.942
    2    HA   SER  53           HA       SER  53  -2.654   8.378   9.143
    3    HB2  SER  53           HB2      SER  53  -3.025   8.644   6.153
    4    HB3  SER  53           HB3      SER  53  -3.219  10.026   7.239
    5    HG   SER  53           HG       SER  53  -0.931   8.591   7.718

  No H/Q in entry =           5
  In of MODEL   22
    1    H    ASP  54           H        ASP  54  -4.555  10.197   8.504
    2    HA   ASP  54           HA       ASP  54  -6.816   9.512   9.812
    3    HB2  ASP  54           HB2      ASP  54  -6.134  11.791   8.997
    4    HB3  ASP  54           HB3      ASP  54  -6.793  11.365   7.421

  No H/Q in entry =           4
  In of MODEL   22
    1    H    LEU  55           H        LEU  55  -8.846   8.740   9.350
    2    HA   LEU  55           HA       LEU  55  -8.909   6.362   8.050
    3    HB2  LEU  55           HB2      LEU  55 -10.566   7.427   9.720
    4    HB3  LEU  55           HB3      LEU  55 -11.408   8.000   8.298
    5    HG   LEU  55           HG       LEU  55 -12.280   5.867   9.373
    6   HD11  LEU  55          HD11      LEU  55 -12.935   6.535   7.129
    7   HD12  LEU  55          HD12      LEU  55 -11.503   5.750   6.466
    8   HD13  LEU  55          HD13      LEU  55 -12.758   4.786   7.244
    9   HD21  LEU  55          HD21      LEU  55 -10.135   4.813   9.813
   10   HD22  LEU  55          HD22      LEU  55 -11.136   3.794   8.778
   11   HD23  LEU  55          HD23      LEU  55  -9.810   4.726   8.081

  No H/Q in entry =          11
  In of MODEL   22
    1    H    SER  56           H        SER  56 -10.997   8.937   6.751
    2    HA   SER  56           HA       SER  56  -9.912   8.825   4.133
    3    HB2  SER  56           HB2      SER  56 -11.735   7.655   2.968
    4    HB3  SER  56           HB3      SER  56 -11.033   6.556   4.156
    5    HG   SER  56           HG       SER  56 -13.063   6.353   4.712

  No H/Q in entry =           5
  In of MODEL   22
    1    H    PHE  57           H        PHE  57 -11.628   9.706   2.520
    2    HA   PHE  57           HA       PHE  57 -13.608  11.460   3.657
    3    HB2  PHE  57           HB2      PHE  57 -11.616  12.874   3.860
    4    HB3  PHE  57           HB3      PHE  57 -11.195  12.566   2.180
    5    HD1  PHE  57           HD1      PHE  57 -13.789  14.110   4.338
    6    HD2  PHE  57           HD2      PHE  57 -11.995  13.931   0.483
    7    HE1  PHE  57           HE1      PHE  57 -15.075  16.090   3.649
    8    HE2  PHE  57           HE2      PHE  57 -13.276  15.911  -0.211
    9    HZ   PHE  57           HZ       PHE  57 -14.816  16.996   1.370

  No H/Q in entry =           9
  In of MODEL   22
    1    H    SER  58           H        SER  58 -15.286  10.962   2.372
    2    HA   SER  58           HA       SER  58 -14.831  10.002  -0.316
    3    HB2  SER  58           HB2      SER  58 -16.581   8.997   1.150
    4    HB3  SER  58           HB3      SER  58 -17.450  10.530   1.118
    5    HG   SER  58           HG       SER  58 -17.415   8.526  -0.718

  No H/Q in entry =           5
  In of MODEL   22
    1    H    LYS  59           H        LYS  59 -15.936  10.964  -2.182
    2    HA   LYS  59           HA       LYS  59 -16.629  13.752  -1.937
    3    HB2  LYS  59           HB2      LYS  59 -14.118  13.684  -2.219
    4    HB3  LYS  59           HB3      LYS  59 -14.388  12.972  -3.806
    5    HG2  LYS  59           HG2      LYS  59 -15.558  14.934  -4.545
    6    HG3  LYS  59           HG3      LYS  59 -15.474  15.636  -2.928
    7    HD2  LYS  59           HD2      LYS  59 -13.021  15.685  -3.095
    8    HD3  LYS  59           HD3      LYS  59 -13.129  15.016  -4.725
    9    HE2  LYS  59           HE2      LYS  59 -14.199  17.681  -3.786
   10    HE3  LYS  59           HE3      LYS  59 -12.821  17.410  -4.852
   11    HZ1  LYS  59           HZ1      LYS  59 -15.634  16.673  -5.477
   12    HZ2  LYS  59           HZ2      LYS  59 -14.819  18.024  -6.083
   13    HZ3  LYS  59           HZ3      LYS  59 -14.301  16.466  -6.498

  No H/Q in entry =          13
  In of MODEL   22
    1    H    ASP  60           H        ASP  60 -15.535  11.832  -4.804
    2    HA   ASP  60           HA       ASP  60 -18.333  11.793  -5.682
    3    HB2  ASP  60           HB2      ASP  60 -17.054  13.315  -7.080
    4    HB3  ASP  60           HB3      ASP  60 -15.775  12.123  -7.279

  No H/Q in entry =           4
  In of MODEL   22
    1    H    TRP  61           H        TRP  61 -15.161  10.245  -5.898
    2    HA   TRP  61           HA       TRP  61 -16.094   7.955  -7.278
    3    HB2  TRP  61           HB2      TRP  61 -13.504   8.222  -5.753
    4    HB3  TRP  61           HB3      TRP  61 -13.852   7.118  -7.075
    5    HD1  TRP  61           HD1      TRP  61 -14.131   8.286  -9.557
    6    HE1  TRP  61           HE1      TRP  61 -12.955  10.364 -10.525
    7    HE3  TRP  61           HE3      TRP  61 -12.569  10.433  -5.193
    8    HZ2  TRP  61           HZ2      TRP  61 -11.553  12.607  -9.564
    9    HZ3  TRP  61           HZ3      TRP  61 -11.312  12.541  -5.286
   10    HH2  TRP  61           HH2      TRP  61 -10.808  13.618  -7.458

  No H/Q in entry =          10
  In of MODEL   22
    1    H    SER  62           H        SER  62 -14.254   7.716  -4.276
    2    HA   SER  62           HA       SER  62 -16.250   6.142  -2.936
    3    HB2  SER  62           HB2      SER  62 -13.765   4.835  -4.113
    4    HB3  SER  62           HB3      SER  62 -14.794   4.055  -2.907
    5    HG   SER  62           HG       SER  62 -16.200   5.047  -5.042

  No H/Q in entry =           5
  In of MODEL   22
    1    H    PHE  63           H        PHE  63 -14.805   4.885  -1.048
    2    HA   PHE  63           HA       PHE  63 -13.326   7.039   0.259
    3    HB2  PHE  63           HB2      PHE  63 -14.143   4.315   1.320
    4    HB3  PHE  63           HB3      PHE  63 -13.396   5.591   2.264
    5    HD1  PHE  63           HD1      PHE  63 -16.467   4.721   0.361
    6    HD2  PHE  63           HD2      PHE  63 -14.718   7.195   3.361
    7    HE1  PHE  63           HE1      PHE  63 -18.711   5.513   1.013
    8    HE2  PHE  63           HE2      PHE  63 -16.967   7.994   4.013
    9    HZ   PHE  63           HZ       PHE  63 -18.953   7.153   2.830

  No H/Q in entry =           9
  In of MODEL   22
    1    H    TYR  64           H        TYR  64 -11.244   6.636   1.209
    2    HA   TYR  64           HA       TYR  64  -9.711   4.512  -0.124
    3    HB2  TYR  64           HB2      TYR  64  -8.262   7.043   0.380
    4    HB3  TYR  64           HB3      TYR  64  -8.185   5.962  -1.009
    5    HD1  TYR  64           HD1      TYR  64  -9.817   8.854   0.479
    6    HD2  TYR  64           HD2      TYR  64  -9.691   6.300  -2.919
    7    HE1  TYR  64           HE1      TYR  64 -11.146  10.479  -0.778
    8    HE2  TYR  64           HE2      TYR  64 -11.026   7.926  -4.193
    9    HH   TYR  64           HH       TYR  64 -12.609   9.752  -3.734

  No H/Q in entry =           9
  In of MODEL   22
    1    H    LEU  65           H        LEU  65  -8.023   3.627   1.127
    2    HA   LEU  65           HA       LEU  65  -7.445   4.975   3.652
    3    HB2  LEU  65           HB2      LEU  65  -8.821   3.336   4.490
    4    HB3  LEU  65           HB3      LEU  65  -8.373   2.163   3.282
    5    HG   LEU  65           HG       LEU  65  -6.271   2.916   5.233
    6   HD11  LEU  65          HD11      LEU  65  -8.318   2.769   6.601
    7   HD12  LEU  65          HD12      LEU  65  -8.636   1.168   5.927
    8   HD13  LEU  65          HD13      LEU  65  -7.204   1.444   6.925
    9   HD21  LEU  65          HD21      LEU  65  -5.910   1.273   3.446
   10   HD22  LEU  65          HD22      LEU  65  -5.802   0.532   5.044
   11   HD23  LEU  65          HD23      LEU  65  -7.255   0.312   4.066

  No H/Q in entry =          11
  In of MODEL   22
    1    H    LEU  66           H        LEU  66  -5.366   5.151   4.130
    2    HA   LEU  66           HA       LEU  66  -3.547   4.248   1.989
    3    HB2  LEU  66           HB2      LEU  66  -4.157   6.782   2.640
    4    HB3  LEU  66           HB3      LEU  66  -2.857   6.522   3.759
    5    HG   LEU  66           HG       LEU  66  -2.614   6.260   0.775
    6   HD11  LEU  66          HD11      LEU  66  -1.778   8.464   2.650
    7   HD12  LEU  66          HD12      LEU  66  -1.264   8.342   0.972
    8   HD13  LEU  66          HD13      LEU  66  -2.970   8.563   1.359
    9   HD21  LEU  66          HD21      LEU  66  -0.508   6.156   2.924
   10   HD22  LEU  66          HD22      LEU  66  -1.015   4.829   1.881
   11   HD23  LEU  66          HD23      LEU  66  -0.187   6.226   1.190

  No H/Q in entry =          11
  In of MODEL   22
    1    H    TYR  67           H        TYR  67  -1.800   3.091   2.496
    2    HA   TYR  67           HA       TYR  67  -0.941   2.974   5.307
    3    HB2  TYR  67           HB2      TYR  67  -1.609   0.771   3.439
    4    HB3  TYR  67           HB3      TYR  67  -0.189   0.544   4.447
    5    HD1  TYR  67           HD1      TYR  67  -3.814   0.424   4.324
    6    HD2  TYR  67           HD2      TYR  67  -0.442   0.650   6.950
    7    HE1  TYR  67           HE1      TYR  67  -5.177  -0.416   6.193
    8    HE2  TYR  67           HE2      TYR  67  -1.828  -0.179   8.811
    9    HH   TYR  67           HH       TYR  67  -4.758  -1.649   8.404

  No H/Q in entry =           9
  In of MODEL   22
    1    H    TYR  68           H        TYR  68   1.049   3.731   5.538
    2    HA   TYR  68           HA       TYR  68   2.986   3.173   3.384
    3    HB2  TYR  68           HB2      TYR  68   3.844   5.465   3.400
    4    HB3  TYR  68           HB3      TYR  68   2.135   5.447   2.947
    5    HD1  TYR  68           HD1      TYR  68   4.510   6.173   5.689
    6    HD2  TYR  68           HD2      TYR  68   0.562   6.647   4.195
    7    HE1  TYR  68           HE1      TYR  68   4.060   7.844   7.435
    8    HE2  TYR  68           HE2      TYR  68   0.101   8.330   5.912
    9    HH   TYR  68           HH       TYR  68   1.038   8.851   8.270

  No H/Q in entry =           9
  In of MODEL   22
    1    H    THR  69           H        THR  69   5.258   3.799   4.039
    2    HA   THR  69           HA       THR  69   5.734   3.960   6.899
    3    HB   THR  69           HB       THR  69   5.600   1.534   6.516
    4    HG1  THR  69           HG1      THR  69   7.055   2.176   8.089
    5   HG21  THR  69          HG21      THR  69   7.726   2.079   4.454
    6   HG22  THR  69          HG22      THR  69   7.479   0.479   5.160
    7   HG23  THR  69          HG23      THR  69   6.180   1.250   4.242

  No H/Q in entry =           7
  In of MODEL   22
    1    H    GLU  70           H        GLU  70   7.724   4.850   7.378
    2    HA   GLU  70           HA       GLU  70   9.196   6.016   5.162
    3    HB2  GLU  70           HB2      GLU  70   8.624   7.368   7.196
    4    HB3  GLU  70           HB3      GLU  70   9.607   6.282   8.158
    5    HG2  GLU  70           HG2      GLU  70  10.941   7.588   5.870
    6    HG3  GLU  70           HG3      GLU  70  10.487   8.612   7.231

  No H/Q in entry =           6
  In of MODEL   22
    1    H    PHE  71           H        PHE  71  11.190   5.321   4.504
    2    HA   PHE  71           HA       PHE  71  12.403   3.081   5.874
    3    HB2  PHE  71           HB2      PHE  71  12.217   1.541   3.976
    4    HB3  PHE  71           HB3      PHE  71  10.625   1.996   4.566
    5    HD1  PHE  71           HD1      PHE  71  10.827   4.807   3.109
    6    HD2  PHE  71           HD2      PHE  71  11.305   0.767   1.896
    7    HE1  PHE  71           HE1      PHE  71  10.165   5.416   0.823
    8    HE2  PHE  71           HE2      PHE  71  10.646   1.361  -0.391
    9    HZ   PHE  71           HZ       PHE  71  10.085   3.701  -0.947

  No H/Q in entry =           9
  In of MODEL   22
    1    H    THR  72           H        THR  72  14.460   2.428   4.879
    2    HA   THR  72           HA       THR  72  15.588   4.498   3.122
    3    HB   THR  72           HB       THR  72  17.136   2.715   5.015
    4    HG1  THR  72           HG1      THR  72  15.536   4.758   5.607
    5   HG21  THR  72          HG21      THR  72  17.872   5.274   3.581
    6   HG22  THR  72          HG22      THR  72  18.907   4.384   4.700
    7   HG23  THR  72          HG23      THR  72  18.441   3.656   3.163

  No H/Q in entry =           7
  In of MODEL   22
    1    HA   PRO  73           HA       PRO  73  15.135   0.671   0.478
    2    HB2  PRO  73           HB2      PRO  73  15.780   2.276  -1.765
    3    HB3  PRO  73           HB3      PRO  73  14.160   1.785  -1.251
    4    HG2  PRO  73           HG2      PRO  73  15.629   4.331  -0.769
    5    HG3  PRO  73           HG3      PRO  73  13.889   4.073  -1.021
    6    HD2  PRO  73           HD2      PRO  73  14.865   4.598   1.409
    7    HD3  PRO  73           HD3      PRO  73  13.550   3.416   1.190

  No H/Q in entry =           7
  In of MODEL   22
    1    H    THR  74           H        THR  74  16.608  -0.612  -0.506
    2    HA   THR  74           HA       THR  74  19.293   0.415  -1.021
    3    HB   THR  74           HB       THR  74  20.397  -1.434   0.044
    4    HG1  THR  74           HG1      THR  74  17.766  -2.433   0.336
    5   HG21  THR  74          HG21      THR  74  18.313  -0.302   1.910
    6   HG22  THR  74          HG22      THR  74  19.773  -1.147   2.421
    7   HG23  THR  74          HG23      THR  74  19.899   0.393   1.569

  No H/Q in entry =           7
  In of MODEL   22
    1    H    GLU  75           H        GLU  75  20.562  -1.367  -2.263
    2    HA   GLU  75           HA       GLU  75  19.156  -2.249  -4.516
    3    HB2  GLU  75           HB2      GLU  75  21.652  -1.876  -4.194
    4    HB3  GLU  75           HB3      GLU  75  21.704  -3.457  -3.439
    5    HG2  GLU  75           HG2      GLU  75  20.705  -3.005  -6.226
    6    HG3  GLU  75           HG3      GLU  75  22.386  -3.328  -5.847

  No H/Q in entry =           6
  In of MODEL   22
    1    H    LYS  76           H        LYS  76  19.994  -3.880  -1.536
    2    HA   LYS  76           HA       LYS  76  19.438  -6.467  -2.631
    3    HB2  LYS  76           HB2      LYS  76  20.474  -5.551   0.037
    4    HB3  LYS  76           HB3      LYS  76  20.250  -7.240  -0.397
    5    HG2  LYS  76           HG2      LYS  76  22.124  -7.294  -1.629
    6    HG3  LYS  76           HG3      LYS  76  21.815  -5.706  -2.334
    7    HD2  LYS  76           HD2      LYS  76  22.658  -4.602  -0.408
    8    HD3  LYS  76           HD3      LYS  76  22.774  -6.121   0.484
    9    HE2  LYS  76           HE2      LYS  76  24.445  -6.898  -1.188
   10    HE3  LYS  76           HE3      LYS  76  24.386  -5.300  -1.933
   11    HZ1  LYS  76           HZ1      LYS  76  25.185  -5.862   0.873
   12    HZ2  LYS  76           HZ2      LYS  76  26.252  -5.536  -0.402
   13    HZ3  LYS  76           HZ3      LYS  76  25.177  -4.337   0.133

  No H/Q in entry =          13
  In of MODEL   22
    1    H    ASP  77           H        ASP  77  17.785  -4.156  -0.581
    2    HA   ASP  77           HA       ASP  77  16.083  -6.332   0.397
    3    HB2  ASP  77           HB2      ASP  77  15.170  -4.781   1.997
    4    HB3  ASP  77           HB3      ASP  77  16.916  -4.629   2.030

  No H/Q in entry =           4
  In of MODEL   22
    1    H    GLU  78           H        GLU  78  13.659  -5.683   0.519
    2    HA   GLU  78           HA       GLU  78  12.721  -4.350  -1.858
    3    HB2  GLU  78           HB2      GLU  78  13.250  -6.419  -2.912
    4    HB3  GLU  78           HB3      GLU  78  12.681  -7.348  -1.539
    5    HG2  GLU  78           HG2      GLU  78  10.581  -5.760  -2.851
    6    HG3  GLU  78           HG3      GLU  78  11.306  -7.018  -3.859

  No H/Q in entry =           6
  In of MODEL   22
    1    H    TYR  79           H        TYR  79  10.501  -3.940  -1.791
    2    HA   TYR  79           HA       TYR  79   9.105  -4.751   0.638
    3    HB2  TYR  79           HB2      TYR  79   8.696  -2.039  -0.586
    4    HB3  TYR  79           HB3      TYR  79   8.267  -2.593   1.028
    5    HD1  TYR  79           HD1      TYR  79   9.892  -2.619   2.806
    6    HD2  TYR  79           HD2      TYR  79  10.977  -1.385  -1.111
    7    HE1  TYR  79           HE1      TYR  79  11.976  -1.667   3.691
    8    HE2  TYR  79           HE2      TYR  79  13.063  -0.437  -0.241
    9    HH   TYR  79           HH       TYR  79  14.475  -1.133   2.355

  No H/Q in entry =           9
  In of MODEL   22
    1    H    ALA  80           H        ALA  80   6.898  -4.991   0.482
    2    HA   ALA  80           HA       ALA  80   5.750  -4.835  -2.232
    3    HB1  ALA  80           HB1      ALA  80   6.582  -7.113  -1.967
    4    HB2  ALA  80           HB2      ALA  80   4.820  -7.077  -2.060
    5    HB3  ALA  80           HB3      ALA  80   5.611  -7.295  -0.500

  No H/Q in entry =           5
  In of MODEL   22
    1    H    CYS  81           H        CYS  81   3.325  -5.097  -2.214
    2    HA   CYS  81           HA       CYS  81   2.207  -4.054   0.314
    3    HB2  CYS  81           HB2      CYS  81   1.826  -3.324  -2.529
    4    HB3  CYS  81           HB3      CYS  81   0.366  -3.358  -1.541

  No H/Q in entry =           4
  In of MODEL   22
    1    H    ARG  82           H        ARG  82   0.567  -5.170   1.229
    2    HA   ARG  82           HA       ARG  82  -0.736  -7.360  -0.296
    3    HB2  ARG  82           HB2      ARG  82   0.863  -8.062   1.556
    4    HB3  ARG  82           HB3      ARG  82  -0.210  -7.240   2.677
    5    HG2  ARG  82           HG2      ARG  82  -2.052  -8.775   1.945
    6    HG3  ARG  82           HG3      ARG  82  -0.844  -9.679   1.030
    7    HD2  ARG  82           HD2      ARG  82  -0.005 -10.668   2.878
    8    HD3  ARG  82           HD3      ARG  82  -0.053  -9.170   3.804
    9    HE   ARG  82           HE       ARG  82  -2.588 -10.534   3.414
   10   HH11  ARG  82          HH11      ARG  82   0.148  -9.768   5.430
   11   HH12  ARG  82          HH12      ARG  82  -0.546 -10.425   6.884
   12   HH21  ARG  82          HH21      ARG  82  -3.577 -11.353   5.340
   13   HH22  ARG  82          HH22      ARG  82  -2.691 -11.316   6.833

  No H/Q in entry =          13
  In of MODEL   22
    1    H    VAL  83           H        VAL  83  -2.960  -7.502  -0.108
    2    HA   VAL  83           HA       VAL  83  -4.246  -5.927   2.005
    3    HB   VAL  83           HB       VAL  83  -5.786  -4.820   0.711
    4   HG11  VAL  83          HG11      VAL  83  -3.260  -4.889  -0.869
    5   HG12  VAL  83          HG12      VAL  83  -4.566  -3.733  -1.137
    6   HG13  VAL  83          HG13      VAL  83  -3.715  -3.767   0.409
    7   HG21  VAL  83          HG21      VAL  83  -5.129  -6.629  -1.602
    8   HG22  VAL  83          HG22      VAL  83  -6.586  -6.684  -0.609
    9   HG23  VAL  83          HG23      VAL  83  -6.274  -5.287  -1.642

  No H/Q in entry =           9
  In of MODEL   22
    1    H    ASN  84           H        ASN  84  -6.083  -6.764   2.799
    2    HA   ASN  84           HA       ASN  84  -6.863  -9.418   1.791
    3    HB2  ASN  84           HB2      ASN  84  -6.991  -8.482   4.671
    4    HB3  ASN  84           HB3      ASN  84  -7.230 -10.118   4.078
    5   HD21  ASN  84          HD21      ASN  84  -4.835  -7.579   4.482
    6   HD22  ASN  84          HD22      ASN  84  -3.466  -8.632   4.577

  No H/Q in entry =           6
  In of MODEL   22
    1    H    HIS  85           H        HIS  85  -8.898  -9.335   0.923
    2    HA   HIS  85           HA       HIS  85 -10.976  -8.085   2.556
    3    HB2  HIS  85           HB2      HIS  85 -10.201  -6.661   0.476
    4    HB3  HIS  85           HB3      HIS  85 -11.134  -7.842  -0.426
    5    HD2  HIS  85           HD2      HIS  85 -11.797  -5.175   2.412
    6    HE1  HIS  85           HE1      HIS  85 -15.359  -5.979   0.277
    7    HE2  HIS  85           HE2      HIS  85 -14.317  -4.625   2.152

  No H/Q in entry =           7
  In of MODEL   22
    1    H    VAL  86           H        VAL  86 -13.166  -8.911   1.860
    2    HA   VAL  86           HA       VAL  86 -13.087 -11.738   1.694
    3    HB   VAL  86           HB       VAL  86 -15.514 -11.668   1.627
    4   HG11  VAL  86          HG11      VAL  86 -14.373  -9.584   3.482
    5   HG12  VAL  86          HG12      VAL  86 -15.939 -10.372   3.668
    6   HG13  VAL  86          HG13      VAL  86 -14.454 -11.319   3.780
    7   HG21  VAL  86          HG21      VAL  86 -15.792  -9.840   0.022
    8   HG22  VAL  86          HG22      VAL  86 -16.746  -9.560   1.480
    9   HG23  VAL  86          HG23      VAL  86 -15.235  -8.685   1.235

  No H/Q in entry =           9
  In of MODEL   22
    1    H    THR  87           H        THR  87 -13.244  -9.229  -0.694
    2    HA   THR  87           HA       THR  87 -14.495 -10.644  -2.770
    3    HB   THR  87           HB       THR  87 -13.284  -8.927  -4.200
    4    HG1  THR  87           HG1      THR  87 -12.737  -7.437  -1.935
    5   HG21  THR  87          HG21      THR  87 -15.027  -8.102  -1.899
    6   HG22  THR  87          HG22      THR  87 -14.594  -7.011  -3.212
    7   HG23  THR  87          HG23      THR  87 -15.526  -8.473  -3.549

  No H/Q in entry =           7
  In of MODEL   22
    1    H    LEU  88           H        LEU  88 -11.106  -9.968  -2.116
    2    HA   LEU  88           HA       LEU  88 -10.117 -11.392  -4.345
    3    HB2  LEU  88           HB2      LEU  88  -8.715 -10.610  -1.773
    4    HB3  LEU  88           HB3      LEU  88  -7.908 -11.194  -3.214
    5    HG   LEU  88           HG       LEU  88  -9.381  -8.581  -2.877
    6   HD11  LEU  88          HD11      LEU  88  -7.102  -8.644  -1.960
    7   HD12  LEU  88          HD12      LEU  88  -6.488  -9.193  -3.528
    8   HD13  LEU  88          HD13      LEU  88  -7.211  -7.585  -3.374
    9   HD21  LEU  88          HD21      LEU  88  -8.169  -9.751  -5.380
   10   HD22  LEU  88          HD22      LEU  88  -9.888  -9.494  -5.075
   11   HD23  LEU  88          HD23      LEU  88  -8.800  -8.113  -5.207

  No H/Q in entry =          11
  In of MODEL   22
    1    H    SER  89           H        SER  89 -10.045 -13.553  -4.582
    2    HA   SER  89           HA       SER  89 -10.822 -15.376  -2.592
    3    HB2  SER  89           HB2      SER  89  -9.685 -17.021  -4.306
    4    HB3  SER  89           HB3      SER  89 -11.162 -16.162  -4.741
    5    HG   SER  89           HG       SER  89  -8.894 -16.117  -6.027

  No H/Q in entry =           5
  In of MODEL   22
    1    H    GLN  90           H        GLN  90  -7.858 -13.859  -3.237
    2    HA   GLN  90           HA       GLN  90  -6.718 -15.092  -0.888
    3    HB2  GLN  90           HB2      GLN  90  -4.455 -14.919  -2.490
    4    HB3  GLN  90           HB3      GLN  90  -5.324 -16.398  -2.119
    5    HG2  GLN  90           HG2      GLN  90  -5.049 -16.449  -4.419
    6    HG3  GLN  90           HG3      GLN  90  -6.702 -15.874  -4.217
    7   HE21  GLN  90          HE21      GLN  90  -6.740 -14.873  -6.208
    8   HE22  GLN  90          HE22      GLN  90  -5.861 -13.415  -6.529

  No H/Q in entry =           8
  In of MODEL   22
    1    HA   PRO  91           HA       PRO  91  -5.673 -10.745  -0.144
    2    HB2  PRO  91           HB2      PRO  91  -3.269 -12.191   0.954
    3    HB3  PRO  91           HB3      PRO  91  -4.101 -10.762   1.600
    4    HG2  PRO  91           HG2      PRO  91  -4.617 -13.111   2.660
    5    HG3  PRO  91           HG3      PRO  91  -5.961 -12.002   2.285
    6    HD2  PRO  91           HD2      PRO  91  -5.069 -14.487   0.846
    7    HD3  PRO  91           HD3      PRO  91  -6.730 -13.850   1.076

  No H/Q in entry =           7
  In of MODEL   22
    1    H    LYS  92           H        LYS  92  -4.274  -9.261  -1.106
    2    HA   LYS  92           HA       LYS  92  -3.028 -10.451  -3.486
    3    HB2  LYS  92           HB2      LYS  92  -4.974  -9.011  -3.966
    4    HB3  LYS  92           HB3      LYS  92  -4.162  -7.671  -3.172
    5    HG2  LYS  92           HG2      LYS  92  -3.858  -7.448  -5.534
    6    HG3  LYS  92           HG3      LYS  92  -2.312  -7.900  -4.803
    7    HD2  LYS  92           HD2      LYS  92  -2.458  -9.284  -6.665
    8    HD3  LYS  92           HD3      LYS  92  -3.009 -10.301  -5.329
    9    HE2  LYS  92           HE2      LYS  92  -4.437 -10.554  -7.295
   10    HE3  LYS  92           HE3      LYS  92  -5.320  -9.874  -5.929
   11    HZ1  LYS  92           HZ1      LYS  92  -4.129  -8.140  -8.013
   12    HZ2  LYS  92           HZ2      LYS  92  -5.670  -8.824  -8.203
   13    HZ3  LYS  92           HZ3      LYS  92  -5.364  -7.773  -6.908

  No H/Q in entry =          13
  In of MODEL   22
    1    H    ILE  93           H        ILE  93  -0.928 -10.263  -3.692
    2    HA   ILE  93           HA       ILE  93   0.414  -8.075  -2.266
    3    HB   ILE  93           HB       ILE  93   1.521 -10.729  -3.162
    4   HG12  ILE  93          HG12      ILE  93   2.152 -10.744  -0.636
    5   HG13  ILE  93          HG13      ILE  93   0.924  -9.500  -0.494
    6   HG21  ILE  93          HG21      ILE  93   3.166  -8.991  -3.593
    7   HG22  ILE  93          HG22      ILE  93   2.998  -8.408  -1.937
    8   HG23  ILE  93          HG23      ILE  93   3.672 -10.008  -2.242
    9   HD11  ILE  93          HD11      ILE  93   0.482 -12.273  -1.561
   10   HD12  ILE  93          HD12      ILE  93   0.079 -11.716   0.062
   11   HD13  ILE  93          HD13      ILE  93  -0.749 -11.032  -1.335

  No H/Q in entry =          11
  In of MODEL   22
    1    H    VAL  94           H        VAL  94   1.257  -6.550  -3.422
    2    HA   VAL  94           HA       VAL  94   2.185  -7.142  -6.145
    3    HB   VAL  94           HB       VAL  94   0.899  -4.553  -5.230
    4   HG11  VAL  94          HG11      VAL  94   2.710  -4.165  -6.815
    5   HG12  VAL  94          HG12      VAL  94   2.007  -5.340  -7.925
    6   HG13  VAL  94          HG13      VAL  94   1.146  -3.844  -7.564
    7   HG21  VAL  94          HG21      VAL  94  -0.731  -6.343  -5.591
    8   HG22  VAL  94          HG22      VAL  94  -0.866  -5.093  -6.829
    9   HG23  VAL  94          HG23      VAL  94  -0.072  -6.623  -7.203

  No H/Q in entry =           9
  In of MODEL   22
    1    H    LYS  95           H        LYS  95   4.238  -6.642  -6.453
    2    HA   LYS  95           HA       LYS  95   5.761  -5.725  -4.182
    3    HB2  LYS  95           HB2      LYS  95   6.522  -6.739  -6.892
    4    HB3  LYS  95           HB3      LYS  95   7.705  -6.031  -5.802
    5    HG2  LYS  95           HG2      LYS  95   7.189  -7.713  -4.122
    6    HG3  LYS  95           HG3      LYS  95   6.006  -8.440  -5.217
    7    HD2  LYS  95           HD2      LYS  95   7.608  -9.294  -6.601
    8    HD3  LYS  95           HD3      LYS  95   8.757  -8.008  -6.232
    9    HE2  LYS  95           HE2      LYS  95   9.475 -10.194  -5.365
   10    HE3  LYS  95           HE3      LYS  95   9.244  -9.000  -4.090
   11    HZ1  LYS  95           HZ1      LYS  95   7.295 -11.124  -4.828
   12    HZ2  LYS  95           HZ2      LYS  95   8.340 -11.169  -3.495
   13    HZ3  LYS  95           HZ3      LYS  95   7.120 -10.003  -3.575

  No H/Q in entry =          13
  In of MODEL   22
    1    H    TRP  96           H        TRP  96   7.139  -3.938  -4.152
    2    HA   TRP  96           HA       TRP  96   5.990  -1.634  -5.396
    3    HB2  TRP  96           HB2      TRP  96   6.839  -1.468  -3.124
    4    HB3  TRP  96           HB3      TRP  96   8.455  -1.961  -3.634
    5    HD1  TRP  96           HD1      TRP  96   6.018   0.887  -4.677
    6    HE1  TRP  96           HE1      TRP  96   7.372   3.057  -4.831
    7    HE3  TRP  96           HE3      TRP  96  10.616  -0.956  -3.409
    8    HZ2  TRP  96           HZ2      TRP  96  10.049   3.894  -4.438
    9    HZ3  TRP  96           HZ3      TRP  96  12.527   0.592  -3.316
   10    HH2  TRP  96           HH2      TRP  96  12.239   2.984  -3.833

  No H/Q in entry =          10
  In of MODEL   22
    1    H    ASP  97           H        ASP  97   6.357  -1.099  -7.398
    2    HA   ASP  97           HA       ASP  97   9.020  -1.600  -8.567
    3    HB2  ASP  97           HB2      ASP  97   6.390  -1.100 -10.006
    4    HB3  ASP  97           HB3      ASP  97   7.952  -1.257 -10.791

  No H/Q in entry =           4
  In of MODEL   22
    1    H    ARG  98           H        ARG  98  10.295   0.046  -8.833
    2    HA   ARG  98           HA       ARG  98   9.259   2.713  -8.381
    3    HB2  ARG  98           HB2      ARG  98  11.588   3.394  -8.234
    4    HB3  ARG  98           HB3      ARG  98  11.318   1.980  -7.242
    5    HG2  ARG  98           HG2      ARG  98  13.119   1.120  -8.191
    6    HG3  ARG  98           HG3      ARG  98  12.143   0.919  -9.645
    7    HD2  ARG  98           HD2      ARG  98  14.217   2.050 -10.189
    8    HD3  ARG  98           HD3      ARG  98  12.856   3.149 -10.410
    9    HE   ARG  98           HE       ARG  98  13.730   3.637  -7.867
   10   HH11  ARG  98          HH11      ARG  98  15.211   3.651 -11.033
   11   HH12  ARG  98          HH12      ARG  98  16.335   4.922 -10.644
   12   HH21  ARG  98          HH21      ARG  98  15.227   5.300  -7.342
   13   HH22  ARG  98          HH22      ARG  98  16.365   5.829  -8.543

  No H/Q in entry =          13
  In of MODEL   22
    1    H    ASP  99           H        ASP  99  10.884   0.897 -10.914
    2    HA   ASP  99           HA       ASP  99   9.932   2.864 -12.885
    3    HB2  ASP  99           HB2      ASP  99  12.316   3.308 -12.277
    4    HB3  ASP  99           HB3      ASP  99  12.709   1.680 -12.819

  No H/Q in entry =           4
  In of MODEL   22
    1    H    MET 100           H        MET 100   9.999  -0.229 -11.868
    2    HA   MET 100           HA       MET 100  10.634  -1.667 -14.249
    3    HB2  MET 100           HB2      MET 100   9.113  -2.633 -11.815
    4    HB3  MET 100           HB3      MET 100   9.882  -3.639 -13.036
    5    HG2  MET 100           HG2      MET 100  11.278  -1.785 -11.124
    6    HG3  MET 100           HG3      MET 100  11.214  -3.545 -11.015
    7    HE1  MET 100           HE1      MET 100  11.541  -4.419 -14.037
    8    HE2  MET 100           HE2      MET 100  13.290  -4.626 -14.152
    9    HE3  MET 100           HE3      MET 100  12.428  -5.179 -12.715

  No H/Q in entry =           9
  In of MODEL   23
    1    HA   ILE   2           HA       ILE   2 -21.320 -10.053  -4.411
    2    HB   ILE   2           HB       ILE   2 -19.594 -10.671  -6.129
    3   HG12  ILE   2          HG12      ILE   2 -21.055  -8.648  -7.858
    4   HG13  ILE   2          HG13      ILE   2 -19.399  -8.483  -7.276
    5   HG21  ILE   2          HG21      ILE   2 -22.470 -10.665  -7.030
    6   HG22  ILE   2          HG22      ILE   2 -21.197 -11.687  -7.701
    7   HG23  ILE   2          HG23      ILE   2 -21.680 -11.872  -6.013
    8   HD11  ILE   2          HD11      ILE   2 -18.779 -10.481  -8.563
    9   HD12  ILE   2          HD12      ILE   2 -20.427 -10.569  -9.185
   10   HD13  ILE   2          HD13      ILE   2 -19.409  -9.182  -9.574

  No H/Q in entry =          10
  In of MODEL   23
    1    H    GLN   3           H        GLN   3 -21.033  -7.111  -3.906
    2    HA   GLN   3           HA       GLN   3 -19.544  -5.612  -3.099
    3    HB2  GLN   3           HB2      GLN   3 -18.966  -7.876  -1.860
    4    HB3  GLN   3           HB3      GLN   3 -17.500  -7.786  -2.810
    5    HG2  GLN   3           HG2      GLN   3 -16.974  -6.843  -0.724
    6    HG3  GLN   3           HG3      GLN   3 -17.155  -5.480  -1.836
    7   HE21  GLN   3          HE21      GLN   3 -18.963  -4.129  -1.624
    8   HE22  GLN   3          HE22      GLN   3 -19.936  -4.123  -0.202

  No H/Q in entry =           8
  In of MODEL   23
    1    H    ARG   4           H        ARG   4 -16.986  -4.976  -3.406
    2    HA   ARG   4           HA       ARG   4 -16.334  -5.449  -6.233
    3    HB2  ARG   4           HB2      ARG   4 -17.319  -3.210  -6.039
    4    HB3  ARG   4           HB3      ARG   4 -16.171  -2.801  -4.771
    5    HG2  ARG   4           HG2      ARG   4 -14.404  -2.540  -6.224
    6    HG3  ARG   4           HG3      ARG   4 -15.080  -3.670  -7.407
    7    HD2  ARG   4           HD2      ARG   4 -15.103  -1.383  -8.262
    8    HD3  ARG   4           HD3      ARG   4 -16.749  -1.976  -8.055
    9    HE   ARG   4           HE       ARG   4 -15.522  -0.321  -5.962
   10   HH11  ARG   4          HH11      ARG   4 -17.940  -0.741  -8.473
   11   HH12  ARG   4          HH12      ARG   4 -18.834   0.676  -8.014
   12   HH21  ARG   4          HH21      ARG   4 -16.702   1.547  -5.374
   13   HH22  ARG   4          HH22      ARG   4 -18.139   1.975  -6.253

  No H/Q in entry =          13
  In of MODEL   23
    1    H    THR   5           H        THR   5 -14.203  -5.766  -6.708
    2    HA   THR   5           HA       THR   5 -12.548  -6.549  -4.534
    3    HB   THR   5           HB       THR   5 -10.912  -7.228  -6.172
    4    HG1  THR   5           HG1      THR   5 -11.789  -5.176  -7.553
    5   HG21  THR   5          HG21      THR   5 -13.758  -7.778  -6.956
    6   HG22  THR   5          HG22      THR   5 -12.396  -8.501  -7.812
    7   HG23  THR   5          HG23      THR   5 -12.623  -8.817  -6.098

  No H/Q in entry =           7
  In of MODEL   23
    1    HA   PRO   6           HA       PRO   6 -10.590  -2.528  -4.037
    2    HB2  PRO   6           HB2      PRO   6  -8.965  -3.843  -1.998
    3    HB3  PRO   6           HB3      PRO   6 -10.138  -2.539  -1.808
    4    HG2  PRO   6           HG2      PRO   6 -10.551  -5.072  -0.880
    5    HG3  PRO   6           HG3      PRO   6 -11.872  -3.978  -1.362
    6    HD2  PRO   6           HD2      PRO   6 -10.646  -6.274  -2.863
    7    HD3  PRO   6           HD3      PRO   6 -12.341  -5.733  -2.784

  No H/Q in entry =           7
  In of MODEL   23
    1    H    LYS   7           H        LYS   7  -8.900  -1.855  -5.170
    2    HA   LYS   7           HA       LYS   7  -7.210  -3.942  -6.321
    3    HB2  LYS   7           HB2      LYS   7  -8.641  -2.456  -7.760
    4    HB3  LYS   7           HB3      LYS   7  -7.660  -1.095  -7.246
    5    HG2  LYS   7           HG2      LYS   7  -5.711  -2.067  -8.301
    6    HG3  LYS   7           HG3      LYS   7  -6.652  -3.490  -8.765
    7    HD2  LYS   7           HD2      LYS   7  -8.167  -2.017 -10.052
    8    HD3  LYS   7           HD3      LYS   7  -7.132  -0.647  -9.653
    9    HE2  LYS   7           HE2      LYS   7  -5.282  -1.676 -10.840
   10    HE3  LYS   7           HE3      LYS   7  -6.271  -3.097 -11.185
   11    HZ1  LYS   7           HZ1      LYS   7  -7.785  -1.674 -12.442
   12    HZ2  LYS   7           HZ2      LYS   7  -6.794  -0.332 -12.141
   13    HZ3  LYS   7           HZ3      LYS   7  -6.216  -1.620 -13.083

  No H/Q in entry =          13
  In of MODEL   23
    1    H    ILE   8           H        ILE   8  -4.979  -3.737  -6.436
    2    HA   ILE   8           HA       ILE   8  -3.866  -2.174  -4.239
    3    HB   ILE   8           HB       ILE   8  -2.211  -3.986  -5.955
    4   HG12  ILE   8          HG12      ILE   8  -4.180  -5.319  -5.448
    5   HG13  ILE   8          HG13      ILE   8  -2.815  -5.883  -4.496
    6   HG21  ILE   8          HG21      ILE   8  -1.119  -2.629  -4.261
    7   HG22  ILE   8          HG22      ILE   8  -2.181  -3.291  -3.019
    8   HG23  ILE   8          HG23      ILE   8  -1.022  -4.338  -3.838
    9   HD11  ILE   8          HD11      ILE   8  -3.672  -4.657  -2.570
   10   HD12  ILE   8          HD12      ILE   8  -5.054  -4.134  -3.531
   11   HD13  ILE   8          HD13      ILE   8  -4.825  -5.848  -3.177

  No H/Q in entry =          11
  In of MODEL   23
    1    H    GLN   9           H        GLN   9  -2.782  -0.364  -4.549
    2    HA   GLN   9           HA       GLN   9  -1.222  -0.083  -7.007
    3    HB2  GLN   9           HB2      GLN   9  -2.308   2.518  -6.155
    4    HB3  GLN   9           HB3      GLN   9  -2.338   1.853  -7.789
    5    HG2  GLN   9           HG2      GLN   9  -4.320   0.680  -7.409
    6    HG3  GLN   9           HG3      GLN   9  -4.258   0.928  -5.671
    7   HE21  GLN   9          HE21      GLN   9  -3.535   3.465  -7.967
    8   HE22  GLN   9          HE22      GLN   9  -4.957   4.407  -7.661

  No H/Q in entry =           8
  In of MODEL   23
    1    H    VAL  10           H        VAL  10   0.803   0.225  -6.384
    2    HA   VAL  10           HA       VAL  10   1.379   1.725  -3.943
    3    HB   VAL  10           HB       VAL  10   1.863  -0.237  -2.888
    4   HG11  VAL  10          HG11      VAL  10   0.896  -1.629  -4.658
    5   HG12  VAL  10          HG12      VAL  10   2.449  -1.620  -5.498
    6   HG13  VAL  10          HG13      VAL  10   2.310  -2.370  -3.900
    7   HG21  VAL  10          HG21      VAL  10   4.304  -0.096  -4.653
    8   HG22  VAL  10          HG22      VAL  10   4.061   0.760  -3.130
    9   HG23  VAL  10          HG23      VAL  10   4.173  -0.999  -3.145

  No H/Q in entry =           9
  In of MODEL   23
    1    H    TYR  11           H        TYR  11   3.011   3.097  -4.062
    2    HA   TYR  11           HA       TYR  11   5.106   2.888  -6.014
    3    HB2  TYR  11           HB2      TYR  11   4.596   4.994  -7.178
    4    HB3  TYR  11           HB3      TYR  11   3.318   3.810  -7.419
    5    HD1  TYR  11           HD1      TYR  11   1.096   4.203  -6.588
    6    HD2  TYR  11           HD2      TYR  11   4.221   6.961  -5.745
    7    HE1  TYR  11           HE1      TYR  11  -0.569   5.849  -5.835
    8    HE2  TYR  11           HE2      TYR  11   2.568   8.613  -4.989
    9    HH   TYR  11           HH       TYR  11  -0.764   7.805  -4.526

  No H/Q in entry =           9
  In of MODEL   23
    1    H    SER  12           H        SER  12   6.573   4.854  -5.860
    2    HA   SER  12           HA       SER  12   6.912   5.528  -3.059
    3    HB2  SER  12           HB2      SER  12   8.874   4.833  -4.317
    4    HB3  SER  12           HB3      SER  12   8.566   6.063  -5.534
    5    HG   SER  12           HG       SER  12   9.508   7.500  -4.323

  No H/Q in entry =           5
  In of MODEL   23
    1    H    ARG  13           H        ARG  13   6.639   7.505  -2.156
    2    HA   ARG  13           HA       ARG  13   4.978   9.406  -3.473
    3    HB2  ARG  13           HB2      ARG  13   5.420   8.887  -0.904
    4    HB3  ARG  13           HB3      ARG  13   6.623  10.144  -1.076
    5    HG2  ARG  13           HG2      ARG  13   3.649  10.357  -1.301
    6    HG3  ARG  13           HG3      ARG  13   4.732  11.237  -0.232
    7    HD2  ARG  13           HD2      ARG  13   4.530  12.896  -1.728
    8    HD3  ARG  13           HD3      ARG  13   5.607  11.931  -2.725
    9    HE   ARG  13           HE       ARG  13   2.922  11.108  -3.088
   10   HH11  ARG  13          HH11      ARG  13   5.097  13.727  -3.924
   11   HH12  ARG  13          HH12      ARG  13   4.311  14.057  -5.442
   12   HH21  ARG  13          HH21      ARG  13   1.891  11.538  -5.045
   13   HH22  ARG  13          HH22      ARG  13   2.480  12.795  -6.092

  No H/Q in entry =          13
  In of MODEL   23
    1    H    HIS  14           H        HIS  14   8.401   9.531  -2.516
    2    HA   HIS  14           HA       HIS  14   8.792  11.855  -4.236
    3    HB2  HIS  14           HB2      HIS  14  10.366  10.702  -1.927
    4    HB3  HIS  14           HB3      HIS  14  10.982  12.030  -2.896
    5    HD2  HIS  14           HD2      HIS  14   7.916  13.600  -2.878
    6    HE1  HIS  14           HE1      HIS  14   8.788  13.746   1.260
    7    HE2  HIS  14           HE2      HIS  14   7.389  14.733  -0.604

  No H/Q in entry =           7
  In of MODEL   23
    1    HA   PRO  15           HA       PRO  15  11.702   9.574  -6.900
    2    HB2  PRO  15           HB2      PRO  15  14.238  10.535  -6.336
    3    HB3  PRO  15           HB3      PRO  15  13.100  11.282  -7.474
    4    HG2  PRO  15           HG2      PRO  15  13.724  12.048  -4.619
    5    HG3  PRO  15           HG3      PRO  15  13.368  13.099  -6.033
    6    HD2  PRO  15           HD2      PRO  15  11.523  12.569  -4.112
    7    HD3  PRO  15           HD3      PRO  15  11.074  12.806  -5.827

  No H/Q in entry =           7
  In of MODEL   23
    1    H    ALA  16           H        ALA  16  11.739   7.523  -6.212
    2    HA   ALA  16           HA       ALA  16  12.713   6.510  -3.818
    3    HB1  ALA  16           HB1      ALA  16  11.197   5.313  -5.356
    4    HB2  ALA  16           HB2      ALA  16  12.549   5.086  -6.466
    5    HB3  ALA  16           HB3      ALA  16  12.589   4.343  -4.867

  No H/Q in entry =           5
  In of MODEL   23
    1    H    GLU  17           H        GLU  17  14.745   6.405  -3.105
    2    HA   GLU  17           HA       GLU  17  16.873   5.968  -5.076
    3    HB2  GLU  17           HB2      GLU  17  16.801   8.340  -4.311
    4    HB3  GLU  17           HB3      GLU  17  17.105   7.777  -2.669
    5    HG2  GLU  17           HG2      GLU  17  19.152   8.565  -3.731
    6    HG3  GLU  17           HG3      GLU  17  19.236   6.842  -3.370

  No H/Q in entry =           6
  In of MODEL   23
    1    H    ASN  18           H        ASN  18  18.313   4.476  -4.602
    2    HA   ASN  18           HA       ASN  18  17.892   2.791  -2.299
    3    HB2  ASN  18           HB2      ASN  18  18.363   1.455  -4.099
    4    HB3  ASN  18           HB3      ASN  18  19.460   2.626  -4.830
    5   HD21  ASN  18          HD21      ASN  18  21.110   1.233  -5.226
    6   HD22  ASN  18          HD22      ASN  18  22.038   0.457  -3.982

  No H/Q in entry =           6
  In of MODEL   23
    1    H    GLY  19           H        GLY  19  18.926   2.839  -0.475
    2    HA2  GLY  19           HA2      GLY  19  21.607   3.964  -0.229
    3    HA3  GLY  19           HA3      GLY  19  20.675   3.161   1.050

  No H/Q in entry =           3
  In of MODEL   23
    1    H    LYS  20           H        LYS  20  18.311   4.789   0.286
    2    HA   LYS  20           HA       LYS  20  19.023   7.252   1.687
    3    HB2  LYS  20           HB2      LYS  20  19.176   7.647  -0.731
    4    HB3  LYS  20           HB3      LYS  20  17.538   7.055  -0.929
    5    HG2  LYS  20           HG2      LYS  20  17.537   9.443  -0.967
    6    HG3  LYS  20           HG3      LYS  20  16.708   8.876   0.470
    7    HD2  LYS  20           HD2      LYS  20  18.565   9.419   1.799
    8    HD3  LYS  20           HD3      LYS  20  19.567   9.786   0.415
    9    HE2  LYS  20           HE2      LYS  20  17.110  11.294   1.317
   10    HE3  LYS  20           HE3      LYS  20  18.781  11.846   1.432
   11    HZ1  LYS  20           HZ1      LYS  20  18.916  11.815  -0.985
   12    HZ2  LYS  20           HZ2      LYS  20  17.298  11.310  -1.088
   13    HZ3  LYS  20           HZ3      LYS  20  17.669  12.837  -0.452

  No H/Q in entry =          13
  In of MODEL   23
    1    H    SER  21           H        SER  21  17.348   8.191   2.790
    2    HA   SER  21           HA       SER  21  15.169   6.478   3.511
    3    HB2  SER  21           HB2      SER  21  15.836   9.322   4.278
    4    HB3  SER  21           HB3      SER  21  14.591   8.326   5.035
    5    HG   SER  21           HG       SER  21  16.095   7.134   6.011

  No H/Q in entry =           5
  In of MODEL   23
    1    H    ASN  22           H        ASN  22  13.053   6.726   2.971
    2    HA   ASN  22           HA       ASN  22  12.263   8.833   1.105
    3    HB2  ASN  22           HB2      ASN  22  13.461   6.889  -0.154
    4    HB3  ASN  22           HB3      ASN  22  12.069   5.918   0.294
    5   HD21  ASN  22          HD21      ASN  22  10.252   6.065  -0.824
    6   HD22  ASN  22          HD22      ASN  22  10.027   7.070  -2.212

  No H/Q in entry =           6
  In of MODEL   23
    1    H    PHE  23           H        PHE  23   9.849   8.209   0.326
    2    HA   PHE  23           HA       PHE  23   8.440   7.199   2.705
    3    HB2  PHE  23           HB2      PHE  23   7.807   9.567   0.952
    4    HB3  PHE  23           HB3      PHE  23   6.591   8.800   1.959
    5    HD1  PHE  23           HD1      PHE  23   9.927  10.445   2.148
    6    HD2  PHE  23           HD2      PHE  23   6.279   9.491   4.110
    7    HE1  PHE  23           HE1      PHE  23  10.562  11.899   4.034
    8    HE2  PHE  23           HE2      PHE  23   6.900  10.934   6.001
    9    HZ   PHE  23           HZ       PHE  23   9.052  12.125   5.970

  No H/Q in entry =           9
  In of MODEL   23
    1    H    LEU  24           H        LEU  24   7.154   5.533   2.291
    2    HA   LEU  24           HA       LEU  24   6.596   4.760  -0.463
    3    HB2  LEU  24           HB2      LEU  24   6.988   3.413   1.932
    4    HB3  LEU  24           HB3      LEU  24   5.276   3.224   1.627
    5    HG   LEU  24           HG       LEU  24   7.557   2.316  -0.155
    6   HD11  LEU  24          HD11      LEU  24   5.480   0.796   1.428
    7   HD12  LEU  24          HD12      LEU  24   6.685   0.078   0.354
    8   HD13  LEU  24          HD13      LEU  24   7.196   0.931   1.812
    9   HD21  LEU  24          HD21      LEU  24   4.580   2.136  -0.624
   10   HD22  LEU  24          HD22      LEU  24   5.770   2.988  -1.616
   11   HD23  LEU  24          HD23      LEU  24   5.801   1.227  -1.519

  No H/Q in entry =          11
  In of MODEL   23
    1    H    ASN  25           H        ASN  25   4.464   4.395  -1.194
    2    HA   ASN  25           HA       ASN  25   2.283   5.240   0.538
    3    HB2  ASN  25           HB2      ASN  25   2.955   6.539  -2.061
    4    HB3  ASN  25           HB3      ASN  25   1.257   6.218  -1.737
    5   HD21  ASN  25          HD21      ASN  25   2.394   8.761  -2.049
    6   HD22  ASN  25          HD22      ASN  25   2.207   9.618  -0.557

  No H/Q in entry =           6
  In of MODEL   23
    1    H    CYS  26           H        CYS  26   0.838   3.695   0.590
    2    HA   CYS  26           HA       CYS  26   0.467   2.044  -1.782
    3    HB2  CYS  26           HB2      CYS  26   1.081   1.128   1.000
    4    HB3  CYS  26           HB3      CYS  26   0.134   0.104  -0.071

  No H/Q in entry =           4
  In of MODEL   23
    1    H    TYR  27           H        TYR  27  -1.508   1.985  -2.409
    2    HA   TYR  27           HA       TYR  27  -3.517   3.257  -0.663
    3    HB2  TYR  27           HB2      TYR  27  -2.842   3.690  -3.559
    4    HB3  TYR  27           HB3      TYR  27  -4.469   4.000  -2.987
    5    HD1  TYR  27           HD1      TYR  27  -4.996   6.002  -1.800
    6    HD2  TYR  27           HD2      TYR  27  -0.922   5.111  -2.701
    7    HE1  TYR  27           HE1      TYR  27  -4.377   8.325  -1.317
    8    HE2  TYR  27           HE2      TYR  27  -0.306   7.430  -2.214
    9    HH   TYR  27           HH       TYR  27  -2.460   9.638  -0.691

  No H/Q in entry =           9
  In of MODEL   23
    1    H    VAL  28           H        VAL  28  -5.253   2.055  -0.318
    2    HA   VAL  28           HA       VAL  28  -6.066   0.169  -2.427
    3    HB   VAL  28           HB       VAL  28  -6.734  -0.297   0.466
    4   HG11  VAL  28          HG11      VAL  28  -6.581  -2.029  -1.987
    5   HG12  VAL  28          HG12      VAL  28  -6.886  -2.640  -0.360
    6   HG13  VAL  28          HG13      VAL  28  -8.033  -1.531  -1.113
    7   HG21  VAL  28          HG21      VAL  28  -4.269  -1.272  -0.974
    8   HG22  VAL  28          HG22      VAL  28  -4.315  -0.203   0.433
    9   HG23  VAL  28          HG23      VAL  28  -4.840  -1.884   0.582

  No H/Q in entry =           9
  In of MODEL   23
    1    H    SER  29           H        SER  29  -7.770   1.110  -3.383
    2    HA   SER  29           HA       SER  29  -9.905   2.195  -1.705
    3    HB2  SER  29           HB2      SER  29  -8.614   3.777  -3.942
    4    HB3  SER  29           HB3      SER  29  -9.986   4.294  -2.957
    5    HG   SER  29           HG       SER  29  -7.824   3.507  -1.476

  No H/Q in entry =           5
  In of MODEL   23
    1    H    GLY  30           H        GLY  30 -11.704   3.088  -3.312
    2    HA2  GLY  30           HA2      GLY  30 -11.926   1.610  -5.781
    3    HA3  GLY  30           HA3      GLY  30 -13.101   2.741  -5.126

  No H/Q in entry =           3
  In of MODEL   23
    1    H    PHE  31           H        PHE  31 -13.025   1.271  -2.517
    2    HA   PHE  31           HA       PHE  31 -14.668  -1.034  -3.327
    3    HB2  PHE  31           HB2      PHE  31 -13.731  -2.314  -1.451
    4    HB3  PHE  31           HB3      PHE  31 -12.429  -1.752  -2.520
    5    HD1  PHE  31           HD1      PHE  31 -13.840  -1.606   0.808
    6    HD2  PHE  31           HD2      PHE  31 -11.041   0.197  -1.837
    7    HE1  PHE  31           HE1      PHE  31 -12.755  -0.495   2.715
    8    HE2  PHE  31           HE2      PHE  31  -9.962   1.313   0.064
    9    HZ   PHE  31           HZ       PHE  31 -10.820   0.973   2.340

  No H/Q in entry =           9
  In of MODEL   23
    1    H    HIS  32           H        HIS  32 -15.816  -1.906  -1.247
    2    HA   HIS  32           HA       HIS  32 -16.259  -0.104   0.901
    3    HB2  HIS  32           HB2      HIS  32 -18.733   0.022   0.660
    4    HB3  HIS  32           HB3      HIS  32 -17.896   0.872  -0.629
    5    HD2  HIS  32           HD2      HIS  32 -17.684  -0.935  -3.034
    6    HE1  HIS  32           HE1      HIS  32 -21.549  -2.409  -2.144
    7    HE2  HIS  32           HE2      HIS  32 -19.867  -1.966  -3.993

  No H/Q in entry =           7
  In of MODEL   23
    1    HA   PRO  33           HA       PRO  33 -18.359  -0.353   2.698
    2    HB2  PRO  33           HB2      PRO  33 -17.118  -1.569   5.083
    3    HB3  PRO  33           HB3      PRO  33 -18.776  -1.015   4.834
    4    HG2  PRO  33           HG2      PRO  33 -18.205  -3.614   4.959
    5    HG3  PRO  33           HG3      PRO  33 -19.428  -2.996   3.830
    6    HD2  PRO  33           HD2      PRO  33 -16.588  -3.797   3.299
    7    HD3  PRO  33           HD3      PRO  33 -18.052  -4.141   2.351

  No H/Q in entry =           7
  In of MODEL   23
    1    H    SER  34           H        SER  34 -17.358   1.211   4.262
    2    HA   SER  34           HA       SER  34 -14.874   2.114   3.201
    3    HB2  SER  34           HB2      SER  34 -16.287   3.176   5.655
    4    HB3  SER  34           HB3      SER  34 -15.153   4.047   4.613
    5    HG   SER  34           HG       SER  34 -17.831   3.337   4.166

  No H/Q in entry =           5
  In of MODEL   23
    1    H    ASP  35           H        ASP  35 -14.371  -0.373   4.327
    2    HA   ASP  35           HA       ASP  35 -12.081   0.377   5.911
    3    HB2  ASP  35           HB2      ASP  35 -12.518  -0.820   7.897
    4    HB3  ASP  35           HB3      ASP  35 -14.029   0.026   7.579

  No H/Q in entry =           4
  In of MODEL   23
    1    H    ILE  36           H        ILE  36 -10.417  -0.837   5.415
    2    HA   ILE  36           HA       ILE  36 -10.714  -3.663   4.742
    3    HB   ILE  36           HB       ILE  36 -10.607  -2.287   2.560
    4   HG12  ILE  36          HG12      ILE  36  -8.740  -4.519   3.305
    5   HG13  ILE  36          HG13      ILE  36 -10.174  -4.568   2.285
    6   HG21  ILE  36          HG21      ILE  36  -7.785  -1.908   3.554
    7   HG22  ILE  36          HG22      ILE  36  -8.306  -1.603   1.894
    8   HG23  ILE  36          HG23      ILE  36  -8.957  -0.636   3.213
    9   HD11  ILE  36          HD11      ILE  36  -7.559  -3.274   1.532
   10   HD12  ILE  36          HD12      ILE  36  -8.080  -4.881   1.028
   11   HD13  ILE  36          HD13      ILE  36  -8.973  -3.457   0.494

  No H/Q in entry =          11
  In of MODEL   23
    1    H    GLU  37           H        GLU  37  -8.668  -4.828   5.112
    2    HA   GLU  37           HA       GLU  37  -6.813  -3.263   6.743
    3    HB2  GLU  37           HB2      GLU  37  -8.001  -5.286   7.748
    4    HB3  GLU  37           HB3      GLU  37  -7.040  -6.260   6.649
    5    HG2  GLU  37           HG2      GLU  37  -6.110  -6.099   8.952
    6    HG3  GLU  37           HG3      GLU  37  -5.001  -5.561   7.692

  No H/Q in entry =           6
  In of MODEL   23
    1    H    VAL  38           H        VAL  38  -4.832  -2.979   6.033
    2    HA   VAL  38           HA       VAL  38  -3.775  -4.728   3.973
    3    HB   VAL  38           HB       VAL  38  -4.145  -3.320   2.305
    4   HG11  VAL  38          HG11      VAL  38  -5.956  -2.332   3.597
    5   HG12  VAL  38          HG12      VAL  38  -4.836  -1.142   4.261
    6   HG13  VAL  38          HG13      VAL  38  -5.185  -1.156   2.530
    7   HG21  VAL  38          HG21      VAL  38  -2.320  -1.427   3.777
    8   HG22  VAL  38          HG22      VAL  38  -1.842  -2.667   2.619
    9   HG23  VAL  38          HG23      VAL  38  -2.792  -1.277   2.084

  No H/Q in entry =           9
  In of MODEL   23
    1    H    ASP  39           H        ASP  39  -1.644  -4.964   4.031
    2    HA   ASP  39           HA       ASP  39  -0.165  -3.551   6.154
    3    HB2  ASP  39           HB2      ASP  39  -0.387  -6.546   5.820
    4    HB3  ASP  39           HB3      ASP  39   0.830  -5.783   6.816

  No H/Q in entry =           4
  In of MODEL   23
    1    H    LEU  40           H        LEU  40   2.094  -3.371   5.830
    2    HA   LEU  40           HA       LEU  40   2.876  -3.852   3.050
    3    HB2  LEU  40           HB2      LEU  40   4.318  -2.134   5.055
    4    HB3  LEU  40           HB3      LEU  40   4.502  -2.129   3.313
    5    HG   LEU  40           HG       LEU  40   2.187  -1.071   4.923
    6   HD11  LEU  40          HD11      LEU  40   4.169   0.239   3.062
    7   HD12  LEU  40          HD12      LEU  40   2.784   1.046   3.801
    8   HD13  LEU  40          HD13      LEU  40   4.089   0.417   4.820
    9   HD21  LEU  40          HD21      LEU  40   2.409  -1.449   1.950
   10   HD22  LEU  40          HD22      LEU  40   1.193  -2.118   3.038
   11   HD23  LEU  40          HD23      LEU  40   1.240  -0.388   2.724

  No H/Q in entry =          11
  In of MODEL   23
    1    H    LEU  41           H        LEU  41   4.802  -4.864   2.528
    2    HA   LEU  41           HA       LEU  41   6.028  -6.478   4.675
    3    HB2  LEU  41           HB2      LEU  41   5.857  -7.454   1.882
    4    HB3  LEU  41           HB3      LEU  41   6.023  -8.349   3.358
    5    HG   LEU  41           HG       LEU  41   3.516  -6.925   2.627
    6   HD11  LEU  41          HD11      LEU  41   4.079  -8.582   0.910
    7   HD12  LEU  41          HD12      LEU  41   4.212  -9.815   2.161
    8   HD13  LEU  41          HD13      LEU  41   2.656  -9.057   1.830
    9   HD21  LEU  41          HD21      LEU  41   4.121  -9.110   4.604
   10   HD22  LEU  41          HD22      LEU  41   3.751  -7.430   4.983
   11   HD23  LEU  41          HD23      LEU  41   2.519  -8.462   4.259

  No H/Q in entry =          11
  In of MODEL   23
    1    H    LYS  42           H        LYS  42   8.144  -7.407   4.069
    2    HA   LYS  42           HA       LYS  42   9.521  -6.079   1.840
    3    HB2  LYS  42           HB2      LYS  42  10.584  -6.818   4.549
    4    HB3  LYS  42           HB3      LYS  42  11.605  -6.391   3.194
    5    HG2  LYS  42           HG2      LYS  42  10.932  -4.175   3.229
    6    HG3  LYS  42           HG3      LYS  42   9.473  -4.526   4.166
    7    HD2  LYS  42           HD2      LYS  42  10.925  -5.150   6.093
    8    HD3  LYS  42           HD3      LYS  42  12.341  -4.726   5.124
    9    HE2  LYS  42           HE2      LYS  42  11.456  -2.410   4.962
   10    HE3  LYS  42           HE3      LYS  42  10.149  -2.875   6.053
   11    HZ1  LYS  42           HZ1      LYS  42  11.841  -3.455   7.719
   12    HZ2  LYS  42           HZ2      LYS  42  13.056  -2.895   6.674
   13    HZ3  LYS  42           HZ3      LYS  42  11.901  -1.817   7.292

  No H/Q in entry =          13
  In of MODEL   23
    1    H    ASN  43           H        ASN  43   9.669  -7.567   0.364
    2    HA   ASN  43           HA       ASN  43   9.994  -9.501  -0.779
    3    HB2  ASN  43           HB2      ASN  43  11.654  -9.981   1.656
    4    HB3  ASN  43           HB3      ASN  43  11.311 -11.347   0.605
    5   HD21  ASN  43          HD21      ASN  43  13.056  -8.415   1.003
    6   HD22  ASN  43          HD22      ASN  43  14.001  -8.543  -0.447

  No H/Q in entry =           6
  In of MODEL   23
    1    H    GLY  44           H        GLY  44   8.492  -9.549   2.280
    2    HA2  GLY  44           HA2      GLY  44   7.698 -12.322   2.210
    3    HA3  GLY  44           HA3      GLY  44   6.402 -11.172   1.844

  No H/Q in entry =           3
  In of MODEL   23
    1    H    GLU  45           H        GLU  45   8.784  -9.958   4.034
    2    HA   GLU  45           HA       GLU  45   7.457 -11.060   6.366
    3    HB2  GLU  45           HB2      GLU  45   9.331 -10.181   7.601
    4    HB3  GLU  45           HB3      GLU  45   9.900 -11.000   6.157
    5    HG2  GLU  45           HG2      GLU  45  10.259  -8.916   5.036
    6    HG3  GLU  45           HG3      GLU  45   9.598  -8.032   6.408

  No H/Q in entry =           6
  In of MODEL   23
    1    H    ARG  46           H        ARG  46   6.370  -9.882   7.883
    2    HA   ARG  46           HA       ARG  46   5.152  -7.473   6.957
    3    HB2  ARG  46           HB2      ARG  46   4.123  -9.340   8.466
    4    HB3  ARG  46           HB3      ARG  46   4.891  -8.457   9.790
    5    HG2  ARG  46           HG2      ARG  46   3.597  -6.499   9.299
    6    HG3  ARG  46           HG3      ARG  46   2.972  -7.225   7.826
    7    HD2  ARG  46           HD2      ARG  46   1.646  -8.799   9.052
    8    HD3  ARG  46           HD3      ARG  46   2.446  -8.355  10.570
    9    HE   ARG  46           HE       ARG  46   0.720  -6.493   9.056
   10   HH11  ARG  46          HH11      ARG  46   1.790  -7.946  12.040
   11   HH12  ARG  46          HH12      ARG  46   0.695  -7.030  13.035
   12   HH21  ARG  46          HH21      ARG  46  -0.700  -5.259  10.322
   13   HH22  ARG  46          HH22      ARG  46  -0.703  -5.459  12.055

  No H/Q in entry =          13
  In of MODEL   23
    1    H    ILE  47           H        ILE  47   5.556  -5.438   7.376
    2    HA   ILE  47           HA       ILE  47   8.104  -4.738   8.332
    3    HB   ILE  47           HB       ILE  47   5.783  -3.208   7.276
    4   HG12  ILE  47          HG12      ILE  47   8.564  -3.793   6.277
    5   HG13  ILE  47          HG13      ILE  47   7.089  -4.586   5.745
    6   HG21  ILE  47          HG21      ILE  47   8.388  -2.065   8.227
    7   HG22  ILE  47          HG22      ILE  47   7.240  -1.221   7.181
    8   HG23  ILE  47          HG23      ILE  47   6.761  -1.698   8.811
    9   HD11  ILE  47          HD11      ILE  47   7.728  -1.673   5.381
   10   HD12  ILE  47          HD12      ILE  47   7.890  -2.929   4.151
   11   HD13  ILE  47          HD13      ILE  47   6.299  -2.517   4.786

  No H/Q in entry =          11
  In of MODEL   23
    1    H    GLU  48           H        GLU  48   5.104  -4.513  10.070
    2    HA   GLU  48           HA       GLU  48   4.320  -3.552  11.962
    3    HB2  GLU  48           HB2      GLU  48   6.882  -3.805  13.354
    4    HB3  GLU  48           HB3      GLU  48   5.318  -4.503  13.721
    5    HG2  GLU  48           HG2      GLU  48   6.955  -5.488  11.441
    6    HG3  GLU  48           HG3      GLU  48   7.220  -6.062  13.083

  No H/Q in entry =           6
  In of MODEL   23
    1    H    LYS  49           H        LYS  49   6.326  -1.750  10.242
    2    HA   LYS  49           HA       LYS  49   6.440   0.386  12.257
    3    HB2  LYS  49           HB2      LYS  49   8.126   0.466   9.788
    4    HB3  LYS  49           HB3      LYS  49   8.463   1.088  11.403
    5    HG2  LYS  49           HG2      LYS  49   8.091  -1.740  11.458
    6    HG3  LYS  49           HG3      LYS  49   9.350  -1.338  10.334
    7    HD2  LYS  49           HD2      LYS  49  10.576  -0.190  12.033
    8    HD3  LYS  49           HD3      LYS  49   9.205  -0.292  13.140
    9    HE2  LYS  49           HE2      LYS  49  10.896  -1.944  13.723
   10    HE3  LYS  49           HE3      LYS  49   9.412  -2.726  13.176
   11    HZ1  LYS  49           HZ1      LYS  49  10.453  -2.989  10.981
   12    HZ2  LYS  49           HZ2      LYS  49  11.896  -2.344  11.596
   13    HZ3  LYS  49           HZ3      LYS  49  11.286  -3.809  12.202

  No H/Q in entry =          13
  In of MODEL   23
    1    H    VAL  50           H        VAL  50   4.653  -0.629   9.797
    2    HA   VAL  50           HA       VAL  50   4.249   1.664   8.208
    3    HB   VAL  50           HB       VAL  50   2.504  -0.735   8.733
    4   HG11  VAL  50          HG11      VAL  50   1.250   1.151   7.771
    5   HG12  VAL  50          HG12      VAL  50   2.411   1.224   6.443
    6   HG13  VAL  50          HG13      VAL  50   1.391  -0.202   6.642
    7   HG21  VAL  50          HG21      VAL  50   4.543  -0.188   6.590
    8   HG22  VAL  50          HG22      VAL  50   4.676  -1.361   7.899
    9   HG23  VAL  50          HG23      VAL  50   3.470  -1.583   6.636

  No H/Q in entry =           9
  In of MODEL   23
    1    H    GLU  51           H        GLU  51   2.682   3.218   8.291
    2    HA   GLU  51           HA       GLU  51   0.843   3.203  10.588
    3    HB2  GLU  51           HB2      GLU  51   2.188   5.653   9.439
    4    HB3  GLU  51           HB3      GLU  51   1.111   5.586  10.831
    5    HG2  GLU  51           HG2      GLU  51   2.707   4.539  12.159
    6    HG3  GLU  51           HG3      GLU  51   3.715   4.114  10.775

  No H/Q in entry =           6
  In of MODEL   23
    1    H    HIS  52           H        HIS  52  -1.200   3.886  10.174
    2    HA   HIS  52           HA       HIS  52  -1.775   4.855   7.456
    3    HB2  HIS  52           HB2      HIS  52  -4.104   4.090   7.802
    4    HB3  HIS  52           HB3      HIS  52  -2.943   2.774   7.861
    5    HD2  HIS  52           HD2      HIS  52  -2.418   1.878  10.612
    6    HE1  HIS  52           HE1      HIS  52  -6.182   3.313  11.902
    7    HE2  HIS  52           HE2      HIS  52  -4.122   1.997  12.555

  No H/Q in entry =           7
  In of MODEL   23
    1    H    SER  53           H        SER  53  -2.631   6.798   7.195
    2    HA   SER  53           HA       SER  53  -2.942   8.544   9.455
    3    HB2  SER  53           HB2      SER  53  -2.056   9.232   7.173
    4    HB3  SER  53           HB3      SER  53  -3.715   9.137   6.587
    5    HG   SER  53           HG       SER  53  -2.807  11.256   7.428

  No H/Q in entry =           5
  In of MODEL   23
    1    H    ASP  54           H        ASP  54  -5.098  10.138   8.860
    2    HA   ASP  54           HA       ASP  54  -7.210   8.719  10.056
    3    HB2  ASP  54           HB2      ASP  54  -6.990  11.177  10.205
    4    HB3  ASP  54           HB3      ASP  54  -7.378  11.308   8.491

  No H/Q in entry =           4
  In of MODEL   23
    1    H    LEU  55           H        LEU  55  -9.109   7.907   9.281
    2    HA   LEU  55           HA       LEU  55  -9.042   6.187   7.238
    3    HB2  LEU  55           HB2      LEU  55 -10.825   6.302   8.932
    4    HB3  LEU  55           HB3      LEU  55 -11.543   7.648   8.064
    5    HG   LEU  55           HG       LEU  55 -11.886   6.167   6.099
    6   HD11  LEU  55          HD11      LEU  55 -10.092   4.557   6.595
    7   HD12  LEU  55          HD12      LEU  55 -11.031   3.956   7.962
    8   HD13  LEU  55          HD13      LEU  55 -11.647   3.771   6.321
    9   HD21  LEU  55          HD21      LEU  55 -13.668   6.550   7.767
   10   HD22  LEU  55          HD22      LEU  55 -13.775   4.969   6.993
   11   HD23  LEU  55          HD23      LEU  55 -13.139   5.103   8.629

  No H/Q in entry =          11
  In of MODEL   23
    1    H    SER  56           H        SER  56 -11.227   8.942   6.703
    2    HA   SER  56           HA       SER  56 -10.034   9.883   4.348
    3    HB2  SER  56           HB2      SER  56 -10.615   7.601   3.504
    4    HB3  SER  56           HB3      SER  56 -12.312   7.960   3.810
    5    HG   SER  56           HG       SER  56 -12.137   9.683   2.301

  No H/Q in entry =           5
  In of MODEL   23
    1    H    PHE  57           H        PHE  57 -11.297  11.452   3.261
    2    HA   PHE  57           HA       PHE  57 -13.872  12.106   4.526
    3    HB2  PHE  57           HB2      PHE  57 -13.546  14.404   3.762
    4    HB3  PHE  57           HB3      PHE  57 -12.160  13.904   4.720
    5    HD1  PHE  57           HD1      PHE  57 -10.016  13.361   3.586
    6    HD2  PHE  57           HD2      PHE  57 -13.320  15.038   1.492
    7    HE1  PHE  57           HE1      PHE  57  -8.515  14.025   1.755
    8    HE2  PHE  57           HE2      PHE  57 -11.825  15.702  -0.345
    9    HZ   PHE  57           HZ       PHE  57  -9.418  15.194  -0.213

  No H/Q in entry =           9
  In of MODEL   23
    1    H    SER  58           H        SER  58 -15.615  12.631   3.081
    2    HA   SER  58           HA       SER  58 -15.309  11.325   0.478
    3    HB2  SER  58           HB2      SER  58 -17.235  10.855   2.160
    4    HB3  SER  58           HB3      SER  58 -17.904  12.384   1.586
    5    HG   SER  58           HG       SER  58 -17.163  10.238  -0.118

  No H/Q in entry =           5
  In of MODEL   23
    1    H    LYS  59           H        LYS  59 -16.039  12.375  -1.458
    2    HA   LYS  59           HA       LYS  59 -16.245  15.275  -1.329
    3    HB2  LYS  59           HB2      LYS  59 -13.806  14.735  -1.516
    4    HB3  LYS  59           HB3      LYS  59 -14.143  13.941  -3.049
    5    HG2  LYS  59           HG2      LYS  59 -15.074  16.114  -3.870
    6    HG3  LYS  59           HG3      LYS  59 -14.475  16.856  -2.386
    7    HD2  LYS  59           HD2      LYS  59 -12.195  16.163  -2.963
    8    HD3  LYS  59           HD3      LYS  59 -12.799  15.409  -4.439
    9    HE2  LYS  59           HE2      LYS  59 -12.715  18.340  -3.744
   10    HE3  LYS  59           HE3      LYS  59 -11.916  17.511  -5.077
   11    HZ1  LYS  59           HZ1      LYS  59 -14.257  16.958  -5.863
   12    HZ2  LYS  59           HZ2      LYS  59 -14.789  18.148  -4.774
   13    HZ3  LYS  59           HZ3      LYS  59 -13.742  18.564  -6.039

  No H/Q in entry =          13
  In of MODEL   23
    1    H    ASP  60           H        ASP  60 -15.531  12.965  -3.984
    2    HA   ASP  60           HA       ASP  60 -18.125  13.713  -5.144
    3    HB2  ASP  60           HB2      ASP  60 -15.522  13.239  -6.618
    4    HB3  ASP  60           HB3      ASP  60 -17.080  13.526  -7.382

  No H/Q in entry =           4
  In of MODEL   23
    1    H    TRP  61           H        TRP  61 -15.482  11.365  -5.532
    2    HA   TRP  61           HA       TRP  61 -17.377   9.431  -6.506
    3    HB2  TRP  61           HB2      TRP  61 -14.387   9.202  -6.154
    4    HB3  TRP  61           HB3      TRP  61 -15.413   8.029  -6.970
    5    HD1  TRP  61           HD1      TRP  61 -13.354  11.024  -7.641
    6    HE1  TRP  61           HE1      TRP  61 -13.732  11.868 -10.048
    7    HE3  TRP  61           HE3      TRP  61 -17.529   8.310  -8.796
    8    HZ2  TRP  61           HZ2      TRP  61 -15.567  11.437 -12.149
    9    HZ3  TRP  61           HZ3      TRP  61 -18.545   8.575 -11.014
   10    HH2  TRP  61           HH2      TRP  61 -17.571  10.128 -12.677

  No H/Q in entry =          10
  In of MODEL   23
    1    H    SER  62           H        SER  62 -14.658   8.621  -4.392
    2    HA   SER  62           HA       SER  62 -16.552   7.319  -2.572
    3    HB2  SER  62           HB2      SER  62 -14.267   5.970  -4.038
    4    HB3  SER  62           HB3      SER  62 -15.123   5.230  -2.680
    5    HG   SER  62           HG       SER  62 -17.087   5.666  -4.031

  No H/Q in entry =           5
  In of MODEL   23
    1    H    PHE  63           H        PHE  63 -14.814   5.938  -0.997
    2    HA   PHE  63           HA       PHE  63 -13.240   8.075   0.252
    3    HB2  PHE  63           HB2      PHE  63 -13.976   5.372   1.418
    4    HB3  PHE  63           HB3      PHE  63 -13.310   6.747   2.283
    5    HD1  PHE  63           HD1      PHE  63 -14.738   8.444   3.171
    6    HD2  PHE  63           HD2      PHE  63 -16.318   5.444   0.590
    7    HE1  PHE  63           HE1      PHE  63 -17.036   9.128   3.785
    8    HE2  PHE  63           HE2      PHE  63 -18.608   6.125   1.193
    9    HZ   PHE  63           HZ       PHE  63 -18.961   7.965   2.784

  No H/Q in entry =           9
  In of MODEL   23
    1    H    TYR  64           H        TYR  64 -11.156   7.483   1.180
    2    HA   TYR  64           HA       TYR  64  -9.744   5.441  -0.419
    3    HB2  TYR  64           HB2      TYR  64  -8.426   8.032   0.343
    4    HB3  TYR  64           HB3      TYR  64  -8.037   6.949  -0.988
    5    HD1  TYR  64           HD1      TYR  64  -9.510   6.948  -3.032
    6    HD2  TYR  64           HD2      TYR  64  -9.937   9.805   0.089
    7    HE1  TYR  64           HE1      TYR  64 -10.832   8.386  -4.532
    8    HE2  TYR  64           HE2      TYR  64 -11.249  11.247  -1.391
    9    HH   TYR  64           HH       TYR  64 -11.566  11.631  -3.778

  No H/Q in entry =           9
  In of MODEL   23
    1    H    LEU  65           H        LEU  65  -7.991   4.415   0.693
    2    HA   LEU  65           HA       LEU  65  -7.508   5.354   3.416
    3    HB2  LEU  65           HB2      LEU  65  -9.045   3.648   3.856
    4    HB3  LEU  65           HB3      LEU  65  -8.377   2.582   2.640
    5    HG   LEU  65           HG       LEU  65  -6.663   3.247   4.999
    6   HD11  LEU  65          HD11      LEU  65  -8.978   2.812   5.842
    7   HD12  LEU  65          HD12      LEU  65  -8.873   1.213   5.107
    8   HD13  LEU  65          HD13      LEU  65  -7.756   1.670   6.394
    9   HD21  LEU  65          HD21      LEU  65  -5.901   1.813   3.114
   10   HD22  LEU  65          HD22      LEU  65  -5.910   0.988   4.672
   11   HD23  LEU  65          HD23      LEU  65  -7.199   0.682   3.503

  No H/Q in entry =          11
  In of MODEL   23
    1    H    LEU  66           H        LEU  66  -5.448   5.325   4.046
    2    HA   LEU  66           HA       LEU  66  -3.534   4.513   1.967
    3    HB2  LEU  66           HB2      LEU  66  -4.120   7.027   2.638
    4    HB3  LEU  66           HB3      LEU  66  -2.941   6.703   3.879
    5    HG   LEU  66           HG       LEU  66  -2.415   6.490   0.923
    6   HD11  LEU  66          HD11      LEU  66  -1.644   8.606   2.920
    7   HD12  LEU  66          HD12      LEU  66  -1.033   8.501   1.269
    8   HD13  LEU  66          HD13      LEU  66  -2.749   8.791   1.559
    9   HD21  LEU  66          HD21      LEU  66  -0.629   6.159   3.310
   10   HD22  LEU  66          HD22      LEU  66  -0.978   4.980   2.051
   11   HD23  LEU  66          HD23      LEU  66  -0.026   6.416   1.676

  No H/Q in entry =          11
  In of MODEL   23
    1    H    TYR  67           H        TYR  67  -1.879   3.270   2.557
    2    HA   TYR  67           HA       TYR  67  -1.104   3.139   5.389
    3    HB2  TYR  67           HB2      TYR  67  -1.787   0.945   3.521
    4    HB3  TYR  67           HB3      TYR  67  -0.383   0.707   4.548
    5    HD1  TYR  67           HD1      TYR  67  -4.039   0.875   4.486
    6    HD2  TYR  67           HD2      TYR  67  -0.592   0.606   6.964
    7    HE1  TYR  67           HE1      TYR  67  -5.422   0.047   6.330
    8    HE2  TYR  67           HE2      TYR  67  -1.977  -0.213   8.821
    9    HH   TYR  67           HH       TYR  67  -4.963  -1.438   8.469

  No H/Q in entry =           9
  In of MODEL   23
    1    H    TYR  68           H        TYR  68   0.887   3.901   5.615
    2    HA   TYR  68           HA       TYR  68   2.832   3.422   3.453
    3    HB2  TYR  68           HB2      TYR  68   3.619   5.745   3.555
    4    HB3  TYR  68           HB3      TYR  68   1.915   5.688   3.098
    5    HD1  TYR  68           HD1      TYR  68   0.190   6.432   4.727
    6    HD2  TYR  68           HD2      TYR  68   4.349   6.789   5.560
    7    HE1  TYR  68           HE1      TYR  68  -0.312   8.059   6.504
    8    HE2  TYR  68           HE2      TYR  68   3.860   8.402   7.349
    9    HH   TYR  68           HH       TYR  68   0.907   8.824   8.703

  No H/Q in entry =           9
  In of MODEL   23
    1    H    THR  69           H        THR  69   5.085   3.959   4.090
    2    HA   THR  69           HA       THR  69   5.644   4.167   6.920
    3    HB   THR  69           HB       THR  69   5.318   1.727   6.638
    4    HG1  THR  69           HG1      THR  69   7.037   2.750   8.017
    5   HG21  THR  69          HG21      THR  69   7.520   2.016   4.597
    6   HG22  THR  69          HG22      THR  69   7.087   0.476   5.345
    7   HG23  THR  69          HG23      THR  69   5.903   1.338   4.361

  No H/Q in entry =           7
  In of MODEL   23
    1    H    GLU  70           H        GLU  70   7.641   5.045   7.294
    2    HA   GLU  70           HA       GLU  70   9.136   6.043   5.031
    3    HB2  GLU  70           HB2      GLU  70   8.738   7.305   7.209
    4    HB3  GLU  70           HB3      GLU  70   9.862   6.195   7.976
    5    HG2  GLU  70           HG2      GLU  70  10.670   7.856   5.617
    6    HG3  GLU  70           HG3      GLU  70  10.697   8.501   7.250

  No H/Q in entry =           6
  In of MODEL   23
    1    H    PHE  71           H        PHE  71  11.043   5.196   4.232
    2    HA   PHE  71           HA       PHE  71  12.138   2.840   5.511
    3    HB2  PHE  71           HB2      PHE  71  11.728   1.320   3.671
    4    HB3  PHE  71           HB3      PHE  71  10.196   1.969   4.233
    5    HD1  PHE  71           HD1      PHE  71  10.971   0.629   1.550
    6    HD2  PHE  71           HD2      PHE  71  10.519   4.673   2.768
    7    HE1  PHE  71           HE1      PHE  71  10.401   1.250  -0.760
    8    HE2  PHE  71           HE2      PHE  71   9.955   5.307   0.453
    9    HZ   PHE  71           HZ       PHE  71   9.901   3.597  -1.320

  No H/Q in entry =           9
  In of MODEL   23
    1    H    THR  72           H        THR  72  14.080   2.042   4.452
    2    HA   THR  72           HA       THR  72  15.318   4.013   2.659
    3    HB   THR  72           HB       THR  72  16.774   2.166   4.558
    4    HG1  THR  72           HG1      THR  72  15.462   4.540   5.009
    5   HG21  THR  72          HG21      THR  72  18.102   2.978   2.658
    6   HG22  THR  72          HG22      THR  72  17.671   4.641   3.061
    7   HG23  THR  72          HG23      THR  72  18.656   3.689   4.173

  No H/Q in entry =           7
  In of MODEL   23
    1    HA   PRO  73           HA       PRO  73  14.847   0.167   0.063
    2    HB2  PRO  73           HB2      PRO  73  15.495   1.735  -2.201
    3    HB3  PRO  73           HB3      PRO  73  13.872   1.249  -1.689
    4    HG2  PRO  73           HG2      PRO  73  15.304   3.821  -1.277
    5    HG3  PRO  73           HG3      PRO  73  13.570   3.529  -1.496
    6    HD2  PRO  73           HD2      PRO  73  14.616   4.125   0.916
    7    HD3  PRO  73           HD3      PRO  73  13.248   2.996   0.738

  No H/Q in entry =           7
  In of MODEL   23
    1    H    THR  74           H        THR  74  16.383  -1.073  -0.873
    2    HA   THR  74           HA       THR  74  19.136  -0.043  -0.975
    3    HB   THR  74           HB       THR  74  20.007  -2.106  -0.088
    4    HG1  THR  74           HG1      THR  74  17.294  -2.976  -0.153
    5   HG21  THR  74          HG21      THR  74  19.252  -0.442   1.569
    6   HG22  THR  74          HG22      THR  74  17.684  -1.249   1.632
    7   HG23  THR  74          HG23      THR  74  19.131  -2.094   2.180

  No H/Q in entry =           7
  In of MODEL   23
    1    H    GLU  75           H        GLU  75  20.417  -2.206  -2.144
    2    HA   GLU  75           HA       GLU  75  19.226  -2.087  -4.799
    3    HB2  GLU  75           HB2      GLU  75  21.738  -1.879  -4.247
    4    HB3  GLU  75           HB3      GLU  75  21.706  -3.602  -4.013
    5    HG2  GLU  75           HG2      GLU  75  22.447  -3.286  -6.176
    6    HG3  GLU  75           HG3      GLU  75  20.757  -3.716  -6.328

  No H/Q in entry =           6
  In of MODEL   23
    1    H    LYS  76           H        LYS  76  19.698  -4.237  -2.110
    2    HA   LYS  76           HA       LYS  76  19.261  -6.644  -3.556
    3    HB2  LYS  76           HB2      LYS  76  19.547  -6.132  -0.603
    4    HB3  LYS  76           HB3      LYS  76  19.580  -7.707  -1.370
    5    HG2  LYS  76           HG2      LYS  76  21.737  -7.500  -1.972
    6    HG3  LYS  76           HG3      LYS  76  21.558  -5.794  -2.383
    7    HD2  LYS  76           HD2      LYS  76  21.606  -5.182  -0.060
    8    HD3  LYS  76           HD3      LYS  76  21.683  -6.880   0.417
    9    HE2  LYS  76           HE2      LYS  76  23.849  -7.088  -0.722
   10    HE3  LYS  76           HE3      LYS  76  23.761  -5.388  -1.185
   11    HZ1  LYS  76           HZ1      LYS  76  23.660  -4.864   1.234
   12    HZ2  LYS  76           HZ2      LYS  76  23.997  -6.496   1.558
   13    HZ3  LYS  76           HZ3      LYS  76  25.125  -5.545   0.724

  No H/Q in entry =          13
  In of MODEL   23
    1    H    ASP  77           H        ASP  77  17.287  -4.480  -1.520
    2    HA   ASP  77           HA       ASP  77  15.626  -6.801  -0.821
    3    HB2  ASP  77           HB2      ASP  77  14.964  -5.670   1.151
    4    HB3  ASP  77           HB3      ASP  77  16.672  -5.318   0.983

  No H/Q in entry =           4
  In of MODEL   23
    1    H    GLU  78           H        GLU  78  13.268  -6.216  -0.347
    2    HA   GLU  78           HA       GLU  78  12.149  -4.299  -2.231
    3    HB2  GLU  78           HB2      GLU  78  10.394  -6.522  -2.486
    4    HB3  GLU  78           HB3      GLU  78  11.386  -5.810  -3.753
    5    HG2  GLU  78           HG2      GLU  78  12.610  -7.837  -1.973
    6    HG3  GLU  78           HG3      GLU  78  11.411  -8.355  -3.156

  No H/Q in entry =           6
  In of MODEL   23
    1    H    TYR  79           H        TYR  79  10.164  -3.523  -1.559
    2    HA   TYR  79           HA       TYR  79   9.096  -4.610   0.915
    3    HB2  TYR  79           HB2      TYR  79   8.671  -1.823  -0.234
    4    HB3  TYR  79           HB3      TYR  79   8.098  -2.420   1.322
    5    HD1  TYR  79           HD1      TYR  79   9.247  -1.677   3.167
    6    HD2  TYR  79           HD2      TYR  79  11.390  -2.173  -0.475
    7    HE1  TYR  79           HE1      TYR  79  11.289  -0.868   4.260
    8    HE2  TYR  79           HE2      TYR  79  13.442  -1.384   0.620
    9    HH   TYR  79           HH       TYR  79  14.187  -0.178   2.483

  No H/Q in entry =           9
  In of MODEL   23
    1    H    ALA  80           H        ALA  80   6.747  -4.869   0.973
    2    HA   ALA  80           HA       ALA  80   5.554  -4.915  -1.729
    3    HB1  ALA  80           HB1      ALA  80   6.442  -7.172  -1.018
    4    HB2  ALA  80           HB2      ALA  80   4.717  -7.124  -1.401
    5    HB3  ALA  80           HB3      ALA  80   5.250  -7.143   0.279

  No H/Q in entry =           5
  In of MODEL   23
    1    H    CYS  81           H        CYS  81   3.161  -5.003  -1.641
    2    HA   CYS  81           HA       CYS  81   2.141  -4.061   0.933
    3    HB2  CYS  81           HB2      CYS  81   1.751  -2.788  -1.768
    4    HB3  CYS  81           HB3      CYS  81   0.647  -2.465  -0.424

  No H/Q in entry =           4
  In of MODEL   23
    1    H    ARG  82           H        ARG  82   0.391  -5.012   1.690
    2    HA   ARG  82           HA       ARG  82  -0.829  -7.160   0.046
    3    HB2  ARG  82           HB2      ARG  82   0.712  -7.785   2.015
    4    HB3  ARG  82           HB3      ARG  82  -0.544  -7.095   3.039
    5    HG2  ARG  82           HG2      ARG  82  -2.092  -8.778   1.772
    6    HG3  ARG  82           HG3      ARG  82  -0.569  -9.611   1.457
    7    HD2  ARG  82           HD2      ARG  82  -1.634  -8.838   4.172
    8    HD3  ARG  82           HD3      ARG  82  -1.644 -10.451   3.493
    9    HE   ARG  82           HE       ARG  82   0.965  -9.856   3.467
   10   HH11  ARG  82          HH11      ARG  82  -1.473  -9.515   5.961
   11   HH12  ARG  82          HH12      ARG  82  -0.404  -9.961   7.258
   12   HH21  ARG  82          HH21      ARG  82   2.372 -10.498   5.181
   13   HH22  ARG  82          HH22      ARG  82   1.760 -10.539   6.809

  No H/Q in entry =          13
  In of MODEL   23
    1    H    VAL  83           H        VAL  83  -3.105  -7.324   0.110
    2    HA   VAL  83           HA       VAL  83  -4.452  -5.840   2.261
    3    HB   VAL  83           HB       VAL  83  -6.024  -4.778   0.952
    4   HG11  VAL  83          HG11      VAL  83  -3.496  -4.742  -0.640
    5   HG12  VAL  83          HG12      VAL  83  -4.814  -3.582  -0.804
    6   HG13  VAL  83          HG13      VAL  83  -3.925  -3.701   0.716
    7   HG21  VAL  83          HG21      VAL  83  -5.249  -6.534  -1.369
    8   HG22  VAL  83          HG22      VAL  83  -6.727  -6.651  -0.415
    9   HG23  VAL  83          HG23      VAL  83  -6.438  -5.231  -1.424

  No H/Q in entry =           9
  In of MODEL   23
    1    H    ASN  84           H        ASN  84  -6.262  -6.718   3.055
    2    HA   ASN  84           HA       ASN  84  -7.084  -9.318   1.976
    3    HB2  ASN  84           HB2      ASN  84  -7.348  -8.358   4.839
    4    HB3  ASN  84           HB3      ASN  84  -7.729  -9.961   4.241
    5   HD21  ASN  84          HD21      ASN  84  -5.080  -7.697   4.731
    6   HD22  ASN  84          HD22      ASN  84  -3.860  -8.905   4.947

  No H/Q in entry =           6
  In of MODEL   23
    1    H    HIS  85           H        HIS  85  -9.088  -9.370   1.120
    2    HA   HIS  85           HA       HIS  85 -11.226  -8.061   2.593
    3    HB2  HIS  85           HB2      HIS  85 -10.319  -6.609   0.593
    4    HB3  HIS  85           HB3      HIS  85 -11.193  -7.773  -0.395
    5    HD2  HIS  85           HD2      HIS  85 -12.043  -5.243   2.519
    6    HE1  HIS  85           HE1      HIS  85 -15.419  -5.812   0.022
    7    HE2  HIS  85           HE2      HIS  85 -14.417  -4.406   1.875

  No H/Q in entry =           7
  In of MODEL   23
    1    H    VAL  86           H        VAL  86 -13.364  -8.919   1.839
    2    HA   VAL  86           HA       VAL  86 -13.231 -11.736   1.709
    3    HB   VAL  86           HB       VAL  86 -15.661 -11.705   1.560
    4   HG11  VAL  86          HG11      VAL  86 -14.656 -11.337   3.742
    5   HG12  VAL  86          HG12      VAL  86 -14.609  -9.599   3.443
    6   HG13  VAL  86          HG13      VAL  86 -16.160 -10.427   3.589
    7   HG21  VAL  86          HG21      VAL  86 -15.863  -9.866  -0.060
    8   HG22  VAL  86          HG22      VAL  86 -16.919  -9.642   1.336
    9   HG23  VAL  86          HG23      VAL  86 -15.422  -8.720   1.204

  No H/Q in entry =           9
  In of MODEL   23
    1    H    THR  87           H        THR  87 -13.285  -9.305  -0.712
    2    HA   THR  87           HA       THR  87 -14.519 -10.756  -2.794
    3    HB   THR  87           HB       THR  87 -13.429  -9.021  -4.237
    4    HG1  THR  87           HG1      THR  87 -12.716  -7.514  -2.035
    5   HG21  THR  87          HG21      THR  87 -15.031  -8.207  -1.840
    6   HG22  THR  87          HG22      THR  87 -14.628  -7.078  -3.134
    7   HG23  THR  87          HG23      THR  87 -15.593  -8.516  -3.485

  No H/Q in entry =           7
  In of MODEL   23
    1    H    LEU  88           H        LEU  88 -11.151 -10.131  -1.947
    2    HA   LEU  88           HA       LEU  88 -10.106 -11.504  -4.213
    3    HB2  LEU  88           HB2      LEU  88  -8.770 -10.610  -1.644
    4    HB3  LEU  88           HB3      LEU  88  -7.914 -11.262  -3.027
    5    HG   LEU  88           HG       LEU  88  -9.454  -8.665  -2.920
    6   HD11  LEU  88          HD11      LEU  88  -7.260  -8.584  -1.829
    7   HD12  LEU  88          HD12      LEU  88  -6.501  -9.215  -3.304
    8   HD13  LEU  88          HD13      LEU  88  -7.286  -7.625  -3.319
    9   HD21  LEU  88          HD21      LEU  88  -9.747  -9.742  -5.088
   10   HD22  LEU  88          HD22      LEU  88  -8.716  -8.317  -5.217
   11   HD23  LEU  88          HD23      LEU  88  -7.999  -9.928  -5.240

  No H/Q in entry =          11
  In of MODEL   23
    1    H    SER  89           H        SER  89 -10.098 -13.644  -4.440
    2    HA   SER  89           HA       SER  89 -10.818 -15.493  -2.473
    3    HB2  SER  89           HB2      SER  89  -9.854 -17.203  -4.054
    4    HB3  SER  89           HB3      SER  89 -10.997 -16.088  -4.800
    5    HG   SER  89           HG       SER  89  -8.648 -16.605  -5.689

  No H/Q in entry =           5
  In of MODEL   23
    1    H    GLN  90           H        GLN  90  -7.833 -13.933  -3.100
    2    HA   GLN  90           HA       GLN  90  -6.683 -15.178  -0.769
    3    HB2  GLN  90           HB2      GLN  90  -4.455 -14.903  -2.405
    4    HB3  GLN  90           HB3      GLN  90  -5.231 -16.421  -1.984
    5    HG2  GLN  90           HG2      GLN  90  -4.920 -16.421  -4.335
    6    HG3  GLN  90           HG3      GLN  90  -6.637 -16.135  -4.073
    7   HE21  GLN  90          HE21      GLN  90  -7.557 -14.304  -4.939
    8   HE22  GLN  90          HE22      GLN  90  -6.664 -13.063  -5.753

  No H/Q in entry =           8
  In of MODEL   23
    1    HA   PRO  91           HA       PRO  91  -5.880 -10.794  -0.048
    2    HB2  PRO  91           HB2      PRO  91  -3.566 -12.096   1.350
    3    HB3  PRO  91           HB3      PRO  91  -4.565 -10.704   1.845
    4    HG2  PRO  91           HG2      PRO  91  -5.049 -13.068   2.906
    5    HG3  PRO  91           HG3      PRO  91  -6.400 -12.036   2.358
    6    HD2  PRO  91           HD2      PRO  91  -5.205 -14.488   1.058
    7    HD3  PRO  91           HD3      PRO  91  -6.920 -13.957   1.110

  No H/Q in entry =           7
  In of MODEL   23
    1    H    LYS  92           H        LYS  92  -4.692  -9.363  -1.078
    2    HA   LYS  92           HA       LYS  92  -3.017 -10.479  -3.156
    3    HB2  LYS  92           HB2      LYS  92  -4.987  -9.031  -3.673
    4    HB3  LYS  92           HB3      LYS  92  -4.118  -7.686  -2.945
    5    HG2  LYS  92           HG2      LYS  92  -3.858  -7.642  -5.338
    6    HG3  LYS  92           HG3      LYS  92  -2.309  -8.001  -4.559
    7    HD2  LYS  92           HD2      LYS  92  -2.482  -9.504  -6.367
    8    HD3  LYS  92           HD3      LYS  92  -2.851 -10.430  -4.911
    9    HE2  LYS  92           HE2      LYS  92  -5.206 -10.295  -5.360
   10    HE3  LYS  92           HE3      LYS  92  -4.915  -9.244  -6.747
   11    HZ1  LYS  92           HZ1      LYS  92  -3.877 -12.017  -6.540
   12    HZ2  LYS  92           HZ2      LYS  92  -5.318 -11.599  -7.333
   13    HZ3  LYS  92           HZ3      LYS  92  -3.836 -11.002  -7.894

  No H/Q in entry =          13
  In of MODEL   23
    1    H    ILE  93           H        ILE  93  -0.934 -10.201  -3.277
    2    HA   ILE  93           HA       ILE  93   0.318  -8.014  -1.752
    3    HB   ILE  93           HB       ILE  93   1.540 -10.661  -2.552
    4   HG12  ILE  93          HG12      ILE  93   1.988 -10.749  -0.019
    5   HG13  ILE  93          HG13      ILE  93   0.789  -9.478   0.118
    6   HG21  ILE  93          HG21      ILE  93   3.148  -8.862  -2.849
    7   HG22  ILE  93          HG22      ILE  93   2.848  -8.309  -1.199
    8   HG23  ILE  93          HG23      ILE  93   3.594  -9.885  -1.479
    9   HD11  ILE  93          HD11      ILE  93   0.329 -12.216  -1.037
   10   HD12  ILE  93          HD12      ILE  93  -0.153 -11.669   0.569
   11   HD13  ILE  93          HD13      ILE  93  -0.883 -10.946  -0.865

  No H/Q in entry =          11
  In of MODEL   23
    1    H    VAL  94           H        VAL  94   1.330  -6.528  -2.902
    2    HA   VAL  94           HA       VAL  94   2.257  -7.224  -5.597
    3    HB   VAL  94           HB       VAL  94   1.047  -4.575  -4.750
    4   HG11  VAL  94          HG11      VAL  94   2.295  -5.393  -7.377
    5   HG12  VAL  94          HG12      VAL  94   1.416  -3.891  -7.092
    6   HG13  VAL  94          HG13      VAL  94   2.929  -4.200  -6.242
    7   HG21  VAL  94          HG21      VAL  94  -0.605  -6.322  -5.203
    8   HG22  VAL  94          HG22      VAL  94  -0.645  -5.066  -6.441
    9   HG23  VAL  94          HG23      VAL  94   0.132  -6.613  -6.780

  No H/Q in entry =           9
  In of MODEL   23
    1    H    LYS  95           H        LYS  95   4.344  -6.816  -5.918
    2    HA   LYS  95           HA       LYS  95   5.827  -5.846  -3.624
    3    HB2  LYS  95           HB2      LYS  95   7.368  -7.318  -4.296
    4    HB3  LYS  95           HB3      LYS  95   6.282  -7.803  -5.580
    5    HG2  LYS  95           HG2      LYS  95   7.275  -6.290  -7.109
    6    HG3  LYS  95           HG3      LYS  95   8.233  -5.549  -5.828
    7    HD2  LYS  95           HD2      LYS  95   8.762  -8.307  -5.760
    8    HD3  LYS  95           HD3      LYS  95   8.853  -7.817  -7.450
    9    HE2  LYS  95           HE2      LYS  95  10.497  -6.866  -5.109
   10    HE3  LYS  95           HE3      LYS  95  11.033  -7.547  -6.642
   11    HZ1  LYS  95           HZ1      LYS  95  10.218  -5.512  -7.753
   12    HZ2  LYS  95           HZ2      LYS  95   9.844  -4.858  -6.238
   13    HZ3  LYS  95           HZ3      LYS  95  11.451  -5.212  -6.627

  No H/Q in entry =          13
  In of MODEL   23
    1    H    TRP  96           H        TRP  96   7.065  -4.038  -3.628
    2    HA   TRP  96           HA       TRP  96   6.156  -1.949  -5.363
    3    HB2  TRP  96           HB2      TRP  96   6.631  -1.483  -3.013
    4    HB3  TRP  96           HB3      TRP  96   8.307  -1.974  -3.216
    5    HD1  TRP  96           HD1      TRP  96   5.913   0.794  -4.487
    6    HE1  TRP  96           HE1      TRP  96   7.303   2.931  -4.824
    7    HE3  TRP  96           HE3      TRP  96  10.551  -1.078  -3.432
    8    HZ2  TRP  96           HZ2      TRP  96   9.996   3.724  -4.657
    9    HZ3  TRP  96           HZ3      TRP  96  12.490   0.429  -3.543
   10    HH2  TRP  96           HH2      TRP  96  12.216   2.801  -4.153

  No H/Q in entry =          10
  In of MODEL   23
    1    H    ASP  97           H        ASP  97   6.988  -1.278  -7.174
    2    HA   ASP  97           HA       ASP  97   9.765  -1.949  -7.861
    3    HB2  ASP  97           HB2      ASP  97   7.338  -2.267  -9.644
    4    HB3  ASP  97           HB3      ASP  97   8.980  -2.181 -10.269

  No H/Q in entry =           4
  In of MODEL   23
    1    H    ARG  98           H        ARG  98  10.830  -0.378  -9.073
    2    HA   ARG  98           HA       ARG  98   9.505   2.235  -8.848
    3    HB2  ARG  98           HB2      ARG  98  11.744   3.144  -8.477
    4    HB3  ARG  98           HB3      ARG  98  11.411   1.851  -7.348
    5    HG2  ARG  98           HG2      ARG  98  13.449   1.135  -7.888
    6    HG3  ARG  98           HG3      ARG  98  12.651   0.480  -9.316
    7    HD2  ARG  98           HD2      ARG  98  14.611   1.671 -10.017
    8    HD3  ARG  98           HD3      ARG  98  13.189   2.591 -10.513
    9    HE   ARG  98           HE       ARG  98  13.642   3.969  -8.451
   10   HH11  ARG  98          HH11      ARG  98  16.172   2.228 -10.139
   11   HH12  ARG  98          HH12      ARG  98  17.417   3.358  -9.698
   12   HH21  ARG  98          HH21      ARG  98  15.288   5.426  -7.812
   13   HH22  ARG  98          HH22      ARG  98  16.922   5.167  -8.354

  No H/Q in entry =          13
  In of MODEL   23
    1    H    ASP  99           H        ASP  99  11.395   0.171 -10.909
    2    HA   ASP  99           HA       ASP  99  11.388   2.245 -13.006
    3    HB2  ASP  99           HB2      ASP  99  13.607   1.417 -12.164
    4    HB3  ASP  99           HB3      ASP  99  13.187  -0.178 -12.782

  No H/Q in entry =           4
  In of MODEL   23
    1    H    MET 100           H        MET 100   9.940  -0.545 -12.039
    2    HA   MET 100           HA       MET 100   9.223  -1.244 -14.805
    3    HB2  MET 100           HB2      MET 100   9.013  -3.706 -13.720
    4    HB3  MET 100           HB3      MET 100  10.550  -3.103 -14.356
    5    HG2  MET 100           HG2      MET 100  11.081  -2.345 -12.015
    6    HG3  MET 100           HG3      MET 100   9.657  -3.245 -11.495
    7    HE1  MET 100           HE1      MET 100   9.404  -5.859 -11.658
    8    HE2  MET 100           HE2      MET 100   9.690  -5.784 -13.395
    9    HE3  MET 100           HE3      MET 100  10.598  -6.923 -12.402

  No H/Q in entry =           9
  In of MODEL   24
    1    HA   ILE   2           HA       ILE   2 -23.374  -7.093  -3.700
    2    HB   ILE   2           HB       ILE   2 -23.530  -7.946  -1.281
    3   HG12  ILE   2          HG12      ILE   2 -23.649 -10.518  -1.246
    4   HG13  ILE   2          HG13      ILE   2 -22.667 -10.463  -2.703
    5   HG21  ILE   2          HG21      ILE   2 -25.029  -9.332  -3.491
    6   HG22  ILE   2          HG22      ILE   2 -25.533  -9.259  -1.804
    7   HG23  ILE   2          HG23      ILE   2 -25.429  -7.780  -2.757
    8   HD11  ILE   2          HD11      ILE   2 -21.892  -9.323  -0.027
    9   HD12  ILE   2          HD12      ILE   2 -21.327 -10.849  -0.706
   10   HD13  ILE   2          HD13      ILE   2 -20.900  -9.326  -1.485

  No H/Q in entry =          10
  In of MODEL   24
    1    H    GLN   3           H        GLN   3 -20.441  -7.528  -4.297
    2    HA   GLN   3           HA       GLN   3 -19.417  -5.654  -2.392
    3    HB2  GLN   3           HB2      GLN   3 -19.253  -8.106  -1.389
    4    HB3  GLN   3           HB3      GLN   3 -17.866  -8.229  -2.462
    5    HG2  GLN   3           HG2      GLN   3 -17.022  -7.609  -0.362
    6    HG3  GLN   3           HG3      GLN   3 -16.970  -6.152  -1.351
    7   HE21  GLN   3          HE21      GLN   3 -17.052  -6.538   1.569
    8   HE22  GLN   3          HE22      GLN   3 -18.416  -5.636   2.122

  No H/Q in entry =           8
  In of MODEL   24
    1    H    ARG   4           H        ARG   4 -17.240  -4.875  -3.099
    2    HA   ARG   4           HA       ARG   4 -16.800  -5.489  -5.949
    3    HB2  ARG   4           HB2      ARG   4 -17.928  -3.371  -5.753
    4    HB3  ARG   4           HB3      ARG   4 -16.843  -2.855  -4.478
    5    HG2  ARG   4           HG2      ARG   4 -15.057  -2.456  -5.989
    6    HG3  ARG   4           HG3      ARG   4 -15.869  -3.334  -7.301
    7    HD2  ARG   4           HD2      ARG   4 -15.925  -0.772  -7.376
    8    HD3  ARG   4           HD3      ARG   4 -17.464  -1.615  -7.589
    9    HE   ARG   4           HE       ARG   4 -17.019  -1.003  -4.852
   10   HH11  ARG   4          HH11      ARG   4 -17.855   0.567  -7.865
   11   HH12  ARG   4          HH12      ARG   4 -18.884   1.745  -7.105
   12   HH21  ARG   4          HH21      ARG   4 -18.366   0.534  -3.853
   13   HH22  ARG   4          HH22      ARG   4 -19.199   1.712  -4.828

  No H/Q in entry =          13
  In of MODEL   24
    1    H    THR   5           H        THR   5 -14.655  -5.435  -6.697
    2    HA   THR   5           HA       THR   5 -12.814  -6.358  -4.716
    3    HB   THR   5           HB       THR   5 -11.300  -6.842  -6.546
    4    HG1  THR   5           HG1      THR   5 -11.922  -4.842  -7.738
    5   HG21  THR   5          HG21      THR   5 -14.185  -7.533  -7.023
    6   HG22  THR   5          HG22      THR   5 -12.894  -8.148  -8.053
    7   HG23  THR   5          HG23      THR   5 -12.904  -8.535  -6.338

  No H/Q in entry =           7
  In of MODEL   24
    1    HA   PRO   6           HA       PRO   6 -10.769  -2.366  -4.216
    2    HB2  PRO   6           HB2      PRO   6  -9.110  -3.674  -2.235
    3    HB3  PRO   6           HB3      PRO   6 -10.333  -2.427  -1.991
    4    HG2  PRO   6           HG2      PRO   6 -10.589  -5.033  -1.132
    5    HG3  PRO   6           HG3      PRO   6 -11.961  -3.944  -1.461
    6    HD2  PRO   6           HD2      PRO   6 -10.816  -6.144  -3.150
    7    HD3  PRO   6           HD3      PRO   6 -12.507  -5.618  -2.948

  No H/Q in entry =           7
  In of MODEL   24
    1    H    LYS   7           H        LYS   7  -9.065  -1.724  -5.401
    2    HA   LYS   7           HA       LYS   7  -7.295  -3.808  -6.457
    3    HB2  LYS   7           HB2      LYS   7  -8.601  -2.408  -8.050
    4    HB3  LYS   7           HB3      LYS   7  -7.783  -0.977  -7.440
    5    HG2  LYS   7           HG2      LYS   7  -5.629  -1.970  -8.193
    6    HG3  LYS   7           HG3      LYS   7  -6.552  -3.277  -8.939
    7    HD2  LYS   7           HD2      LYS   7  -7.768  -1.594 -10.284
    8    HD3  LYS   7           HD3      LYS   7  -6.741  -0.338  -9.592
    9    HE2  LYS   7           HE2      LYS   7  -5.835  -0.910 -11.719
   10    HE3  LYS   7           HE3      LYS   7  -4.764  -1.582 -10.490
   11    HZ1  LYS   7           HZ1      LYS   7  -6.001  -3.725 -10.795
   12    HZ2  LYS   7           HZ2      LYS   7  -6.757  -3.029 -12.145
   13    HZ3  LYS   7           HZ3      LYS   7  -5.075  -3.237 -12.125

  No H/Q in entry =          13
  In of MODEL   24
    1    H    ILE   8           H        ILE   8  -5.036  -3.458  -6.634
    2    HA   ILE   8           HA       ILE   8  -3.988  -1.903  -4.384
    3    HB   ILE   8           HB       ILE   8  -2.775  -4.166  -5.986
    4   HG12  ILE   8          HG12      ILE   8  -2.718  -5.394  -3.938
    5   HG13  ILE   8          HG13      ILE   8  -3.126  -3.968  -3.006
    6   HG21  ILE   8          HG21      ILE   8  -1.452  -2.372  -3.980
    7   HG22  ILE   8          HG22      ILE   8  -0.809  -3.938  -4.475
    8   HG23  ILE   8          HG23      ILE   8  -0.991  -2.647  -5.659
    9   HD11  ILE   8          HD11      ILE   8  -4.969  -5.305  -4.950
   10   HD12  ILE   8          HD12      ILE   8  -4.952  -5.593  -3.208
   11   HD13  ILE   8          HD13      ILE   8  -5.362  -3.992  -3.840

  No H/Q in entry =          11
  In of MODEL   24
    1    H    GLN   9           H        GLN   9  -3.112  -0.007  -4.746
    2    HA   GLN   9           HA       GLN   9  -1.404   0.322  -7.116
    3    HB2  GLN   9           HB2      GLN   9  -3.442   2.216  -5.984
    4    HB3  GLN   9           HB3      GLN   9  -2.042   2.835  -6.873
    5    HG2  GLN   9           HG2      GLN   9  -2.726   1.455  -8.802
    6    HG3  GLN   9           HG3      GLN   9  -4.153   0.947  -7.900
    7   HE21  GLN   9          HE21      GLN   9  -5.810   2.417  -7.541
    8   HE22  GLN   9          HE22      GLN   9  -5.937   3.904  -8.427

  No H/Q in entry =           8
  In of MODEL   24
    1    H    VAL  10           H        VAL  10   0.643   0.615  -6.507
    2    HA   VAL  10           HA       VAL  10   1.183   2.030  -4.004
    3    HB   VAL  10           HB       VAL  10   1.386  -0.130  -3.177
    4   HG11  VAL  10          HG11      VAL  10   1.181  -1.354  -5.269
    5   HG12  VAL  10          HG12      VAL  10   2.867  -0.995  -5.644
    6   HG13  VAL  10          HG13      VAL  10   2.468  -2.009  -4.249
    7   HG21  VAL  10          HG21      VAL  10   4.133   0.697  -4.069
    8   HG22  VAL  10          HG22      VAL  10   3.347   1.053  -2.529
    9   HG23  VAL  10          HG23      VAL  10   3.830  -0.601  -2.917

  No H/Q in entry =           9
  In of MODEL   24
    1    H    TYR  11           H        TYR  11   2.823   3.367  -4.028
    2    HA   TYR  11           HA       TYR  11   5.000   3.195  -5.873
    3    HB2  TYR  11           HB2      TYR  11   4.605   5.309  -7.034
    4    HB3  TYR  11           HB3      TYR  11   3.277   4.200  -7.340
    5    HD1  TYR  11           HD1      TYR  11   1.043   4.672  -6.483
    6    HD2  TYR  11           HD2      TYR  11   4.277   7.330  -5.719
    7    HE1  TYR  11           HE1      TYR  11  -0.556   6.412  -5.802
    8    HE2  TYR  11           HE2      TYR  11   2.689   9.076  -5.033
    9    HH   TYR  11           HH       TYR  11  -0.579   8.461  -4.401

  No H/Q in entry =           9
  In of MODEL   24
    1    H    SER  12           H        SER  12   6.477   5.125  -5.554
    2    HA   SER  12           HA       SER  12   6.658   5.601  -2.692
    3    HB2  SER  12           HB2      SER  12   8.631   4.858  -3.993
    4    HB3  SER  12           HB3      SER  12   8.545   6.337  -4.940
    5    HG   SER  12           HG       SER  12   9.598   7.305  -3.426

  No H/Q in entry =           5
  In of MODEL   24
    1    H    ARG  13           H        ARG  13   6.534   7.554  -1.688
    2    HA   ARG  13           HA       ARG  13   4.956   9.604  -2.811
    3    HB2  ARG  13           HB2      ARG  13   5.442   9.077  -0.347
    4    HB3  ARG  13           HB3      ARG  13   6.947   9.954  -0.540
    5    HG2  ARG  13           HG2      ARG  13   4.113  11.032  -0.685
    6    HG3  ARG  13           HG3      ARG  13   5.329  11.382   0.530
    7    HD2  ARG  13           HD2      ARG  13   6.313  13.006  -0.739
    8    HD3  ARG  13           HD3      ARG  13   6.037  12.115  -2.245
    9    HE   ARG  13           HE       ARG  13   3.858  13.519  -0.842
   10   HH11  ARG  13          HH11      ARG  13   5.721  12.866  -3.736
   11   HH12  ARG  13          HH12      ARG  13   4.811  13.969  -4.729
   12   HH21  ARG  13          HH21      ARG  13   2.649  14.956  -2.148
   13   HH22  ARG  13          HH22      ARG  13   3.057  15.143  -3.821

  No H/Q in entry =          13
  In of MODEL   24
    1    H    HIS  14           H        HIS  14   8.484   9.368  -2.445
    2    HA   HIS  14           HA       HIS  14   8.706  11.535  -4.417
    3    HB2  HIS  14           HB2      HIS  14  10.271  11.065  -1.899
    4    HB3  HIS  14           HB3      HIS  14  11.045  11.897  -3.243
    5    HD2  HIS  14           HD2      HIS  14   7.838  13.397  -3.705
    6    HE1  HIS  14           HE1      HIS  14   9.328  15.440  -0.313
    7    HE2  HIS  14           HE2      HIS  14   7.747  15.571  -2.287

  No H/Q in entry =           7
  In of MODEL   24
    1    HA   PRO  15           HA       PRO  15  11.374   8.948  -6.932
    2    HB2  PRO  15           HB2      PRO  15  13.932  10.046  -6.781
    3    HB3  PRO  15           HB3      PRO  15  12.671  10.519  -7.938
    4    HG2  PRO  15           HG2      PRO  15  13.500  11.862  -5.369
    5    HG3  PRO  15           HG3      PRO  15  12.941  12.589  -6.914
    6    HD2  PRO  15           HD2      PRO  15  11.320  12.395  -4.748
    7    HD3  PRO  15           HD3      PRO  15  10.696  12.228  -6.416

  No H/Q in entry =           7
  In of MODEL   24
    1    H    ALA  16           H        ALA  16  12.712   7.150  -6.746
    2    HA   ALA  16           HA       ALA  16  13.260   6.320  -4.062
    3    HB1  ALA  16           HB1      ALA  16  12.339   4.730  -5.640
    4    HB2  ALA  16           HB2      ALA  16  13.743   4.928  -6.690
    5    HB3  ALA  16           HB3      ALA  16  13.928   4.193  -5.100

  No H/Q in entry =           5
  In of MODEL   24
    1    H    GLU  17           H        GLU  17  15.189   6.220  -3.096
    2    HA   GLU  17           HA       GLU  17  17.618   6.521  -4.654
    3    HB2  GLU  17           HB2      GLU  17  16.774   8.740  -3.632
    4    HB3  GLU  17           HB3      GLU  17  17.217   8.035  -2.078
    5    HG2  GLU  17           HG2      GLU  17  19.021   9.406  -2.842
    6    HG3  GLU  17           HG3      GLU  17  19.508   7.712  -2.943

  No H/Q in entry =           6
  In of MODEL   24
    1    H    ASN  18           H        ASN  18  18.887   4.887  -4.141
    2    HA   ASN  18           HA       ASN  18  18.235   3.205  -1.901
    3    HB2  ASN  18           HB2      ASN  18  18.791   1.921  -3.727
    4    HB3  ASN  18           HB3      ASN  18  20.096   2.994  -4.240
    5   HD21  ASN  18          HD21      ASN  18  21.582   1.371  -4.477
    6   HD22  ASN  18          HD22      ASN  18  22.232   0.484  -3.139

  No H/Q in entry =           6
  In of MODEL   24
    1    H    GLY  19           H        GLY  19  19.158   3.110   0.006
    2    HA2  GLY  19           HA2      GLY  19  21.720   4.382   0.540
    3    HA3  GLY  19           HA3      GLY  19  20.700   3.524   1.707

  No H/Q in entry =           3
  In of MODEL   24
    1    H    LYS  20           H        LYS  20  18.377   5.142   0.614
    2    HA   LYS  20           HA       LYS  20  18.840   7.569   2.195
    3    HB2  LYS  20           HB2      LYS  20  19.127   7.748  -0.414
    4    HB3  LYS  20           HB3      LYS  20  17.374   7.688  -0.416
    5    HG2  LYS  20           HG2      LYS  20  18.032   9.955  -0.506
    6    HG3  LYS  20           HG3      LYS  20  17.352   9.658   1.099
    7    HD2  LYS  20           HD2      LYS  20  19.682   9.387   1.961
    8    HD3  LYS  20           HD3      LYS  20  20.279   9.850   0.369
    9    HE2  LYS  20           HE2      LYS  20  20.298  11.739   1.950
   10    HE3  LYS  20           HE3      LYS  20  19.214  12.043   0.592
   11    HZ1  LYS  20           HZ1      LYS  20  18.303  11.018   3.226
   12    HZ2  LYS  20           HZ2      LYS  20  18.316  12.661   2.804
   13    HZ3  LYS  20           HZ3      LYS  20  17.339  11.575   1.947

  No H/Q in entry =          13
  In of MODEL   24
    1    H    SER  21           H        SER  21  16.992   8.398   3.158
    2    HA   SER  21           HA       SER  21  14.900   6.432   3.513
    3    HB2  SER  21           HB2      SER  21  15.519   9.031   4.902
    4    HB3  SER  21           HB3      SER  21  14.182   7.967   5.346
    5    HG   SER  21           HG       SER  21  15.808   6.294   5.631

  No H/Q in entry =           5
  In of MODEL   24
    1    H    ASN  22           H        ASN  22  12.707   6.766   3.185
    2    HA   ASN  22           HA       ASN  22  11.734   9.238   2.013
    3    HB2  ASN  22           HB2      ASN  22  12.772   7.551   0.183
    4    HB3  ASN  22           HB3      ASN  22  11.194   6.796   0.370
    5   HD21  ASN  22          HD21      ASN  22  12.292   8.096  -1.928
    6   HD22  ASN  22          HD22      ASN  22  11.251   9.386  -2.341

  No H/Q in entry =           6
  In of MODEL   24
    1    H    PHE  23           H        PHE  23   9.322   8.572   1.131
    2    HA   PHE  23           HA       PHE  23   8.077   7.044   3.331
    3    HB2  PHE  23           HB2      PHE  23   7.066   9.487   1.862
    4    HB3  PHE  23           HB3      PHE  23   6.054   8.505   2.906
    5    HD1  PHE  23           HD1      PHE  23   5.795   9.144   5.081
    6    HD2  PHE  23           HD2      PHE  23   9.292  10.360   2.984
    7    HE1  PHE  23           HE1      PHE  23   6.479  10.504   7.016
    8    HE2  PHE  23           HE2      PHE  23   9.987  11.711   4.916
    9    HZ   PHE  23           HZ       PHE  23   8.583  11.779   6.938

  No H/Q in entry =           9
  In of MODEL   24
    1    H    LEU  24           H        LEU  24   6.835   5.369   2.766
    2    HA   LEU  24           HA       LEU  24   6.398   4.782  -0.067
    3    HB2  LEU  24           HB2      LEU  24   6.906   3.266   2.189
    4    HB3  LEU  24           HB3      LEU  24   5.212   2.961   1.882
    5    HG   LEU  24           HG       LEU  24   7.520   2.415  -0.012
    6   HD11  LEU  24          HD11      LEU  24   5.654   0.600   1.517
    7   HD12  LEU  24          HD12      LEU  24   6.852   0.068   0.334
    8   HD13  LEU  24          HD13      LEU  24   7.371   0.845   1.830
    9   HD21  LEU  24          HD21      LEU  24   4.558   1.962  -0.405
   10   HD22  LEU  24          HD22      LEU  24   5.590   3.054  -1.330
   11   HD23  LEU  24          HD23      LEU  24   5.833   1.311  -1.436

  No H/Q in entry =          11
  In of MODEL   24
    1    H    ASN  25           H        ASN  25   4.256   4.236  -0.849
    2    HA   ASN  25           HA       ASN  25   2.006   5.036   0.828
    3    HB2  ASN  25           HB2      ASN  25   2.763   6.292  -1.793
    4    HB3  ASN  25           HB3      ASN  25   1.068   6.169  -1.349
    5   HD21  ASN  25          HD21      ASN  25   2.801   8.501  -1.715
    6   HD22  ASN  25          HD22      ASN  25   2.699   9.389  -0.237

  No H/Q in entry =           6
  In of MODEL   24
    1    H    CYS  26           H        CYS  26   0.413   3.534   0.713
    2    HA   CYS  26           HA       CYS  26   0.117   2.084  -1.828
    3    HB2  CYS  26           HB2      CYS  26   1.017   0.656   0.135
    4    HB3  CYS  26           HB3      CYS  26  -0.628   0.789   0.775

  No H/Q in entry =           4
  In of MODEL   24
    1    H    TYR  27           H        TYR  27  -1.883   2.102  -2.661
    2    HA   TYR  27           HA       TYR  27  -3.904   3.583  -1.114
    3    HB2  TYR  27           HB2      TYR  27  -2.935   3.973  -3.928
    4    HB3  TYR  27           HB3      TYR  27  -4.586   4.398  -3.507
    5    HD1  TYR  27           HD1      TYR  27  -1.040   5.289  -3.075
    6    HD2  TYR  27           HD2      TYR  27  -5.057   6.300  -2.078
    7    HE1  TYR  27           HE1      TYR  27  -0.301   7.520  -2.376
    8    HE2  TYR  27           HE2      TYR  27  -4.320   8.533  -1.370
    9    HH   TYR  27           HH       TYR  27  -2.241   9.624  -0.582

  No H/Q in entry =           9
  In of MODEL   24
    1    H    VAL  28           H        VAL  28  -5.295   2.007  -0.607
    2    HA   VAL  28           HA       VAL  28  -6.257   0.283  -2.792
    3    HB   VAL  28           HB       VAL  28  -6.806  -0.244   0.121
    4   HG11  VAL  28          HG11      VAL  28  -6.592  -1.980  -2.325
    5   HG12  VAL  28          HG12      VAL  28  -6.883  -2.579  -0.690
    6   HG13  VAL  28          HG13      VAL  28  -8.068  -1.532  -1.468
    7   HG21  VAL  28          HG21      VAL  28  -4.317  -1.019  -1.391
    8   HG22  VAL  28          HG22      VAL  28  -4.414  -0.050   0.080
    9   HG23  VAL  28          HG23      VAL  28  -4.829  -1.767   0.125

  No H/Q in entry =           9
  In of MODEL   24
    1    H    SER  29           H        SER  29  -7.930   1.397  -3.692
    2    HA   SER  29           HA       SER  29 -10.115   2.266  -1.931
    3    HB2  SER  29           HB2      SER  29  -8.629   4.223  -2.545
    4    HB3  SER  29           HB3      SER  29  -9.076   3.962  -4.223
    5    HG   SER  29           HG       SER  29 -10.962   4.442  -2.151

  No H/Q in entry =           5
  In of MODEL   24
    1    H    GLY  30           H        GLY  30 -12.187   2.452  -3.040
    2    HA2  GLY  30           HA2      GLY  30 -12.242   1.108  -5.662
    3    HA3  GLY  30           HA3      GLY  30 -13.445   2.254  -5.106

  No H/Q in entry =           3
  In of MODEL   24
    1    H    PHE  31           H        PHE  31 -13.326   0.898  -2.390
    2    HA   PHE  31           HA       PHE  31 -14.996  -1.409  -3.114
    3    HB2  PHE  31           HB2      PHE  31 -14.068  -2.640  -1.208
    4    HB3  PHE  31           HB3      PHE  31 -12.764  -2.122  -2.298
    5    HD1  PHE  31           HD1      PHE  31 -11.315  -0.241  -1.676
    6    HD2  PHE  31           HD2      PHE  31 -14.213  -1.806   1.013
    7    HE1  PHE  31           HE1      PHE  31 -10.209   0.909   0.186
    8    HE2  PHE  31           HE2      PHE  31 -13.104  -0.660   2.880
    9    HZ   PHE  31           HZ       PHE  31 -11.111   0.717   2.465

  No H/Q in entry =           9
  In of MODEL   24
    1    H    HIS  32           H        HIS  32 -16.081  -2.211  -0.944
    2    HA   HIS  32           HA       HIS  32 -16.839  -0.131   0.895
    3    HB2  HIS  32           HB2      HIS  32 -19.319  -0.697   0.547
    4    HB3  HIS  32           HB3      HIS  32 -18.565   0.332  -0.662
    5    HD2  HIS  32           HD2      HIS  32 -20.101  -3.224  -0.314
    6    HE1  HIS  32           HE1      HIS  32 -19.386  -2.399  -4.401
    7    HE2  HIS  32           HE2      HIS  32 -20.655  -3.862  -2.772

  No H/Q in entry =           7
  In of MODEL   24
    1    HA   PRO  33           HA       PRO  33 -19.258  -0.561   2.514
    2    HB2  PRO  33           HB2      PRO  33 -18.022  -0.851   5.193
    3    HB3  PRO  33           HB3      PRO  33 -19.727  -0.759   4.742
    4    HG2  PRO  33           HG2      PRO  33 -18.649  -3.072   5.482
    5    HG3  PRO  33           HG3      PRO  33 -19.828  -3.002   4.157
    6    HD2  PRO  33           HD2      PRO  33 -16.844  -3.237   4.026
    7    HD3  PRO  33           HD3      PRO  33 -18.080  -4.078   3.067

  No H/Q in entry =           7
  In of MODEL   24
    1    H    SER  34           H        SER  34 -16.362  -0.285   4.679
    2    HA   SER  34           HA       SER  34 -15.294   1.842   3.064
    3    HB2  SER  34           HB2      SER  34 -16.340   2.414   5.853
    4    HB3  SER  34           HB3      SER  34 -15.453   3.539   4.826
    5    HG   SER  34           HG       SER  34 -17.489   2.664   3.399

  No H/Q in entry =           5
  In of MODEL   24
    1    H    ASP  35           H        ASP  35 -14.625  -0.823   4.309
    2    HA   ASP  35           HA       ASP  35 -12.216   0.010   5.761
    3    HB2  ASP  35           HB2      ASP  35 -12.589  -1.423   7.613
    4    HB3  ASP  35           HB3      ASP  35 -14.128  -0.597   7.373

  No H/Q in entry =           4
  In of MODEL   24
    1    H    ILE  36           H        ILE  36 -10.451  -1.104   5.243
    2    HA   ILE  36           HA       ILE  36 -10.586  -3.902   4.469
    3    HB   ILE  36           HB       ILE  36 -10.629  -2.519   2.295
    4   HG12  ILE  36          HG12      ILE  36  -8.639  -4.651   2.985
    5   HG13  ILE  36          HG13      ILE  36 -10.056  -4.744   1.947
    6   HG21  ILE  36          HG21      ILE  36  -7.791  -1.985   3.163
    7   HG22  ILE  36          HG22      ILE  36  -8.441  -1.648   1.558
    8   HG23  ILE  36          HG23      ILE  36  -9.058  -0.777   2.960
    9   HD11  ILE  36          HD11      ILE  36  -7.502  -3.306   1.253
   10   HD12  ILE  36          HD12      ILE  36  -7.934  -4.926   0.708
   11   HD13  ILE  36          HD13      ILE  36  -8.895  -3.537   0.197

  No H/Q in entry =          11
  In of MODEL   24
    1    H    GLU  37           H        GLU  37  -8.487  -4.943   4.719
    2    HA   GLU  37           HA       GLU  37  -6.641  -3.352   6.353
    3    HB2  GLU  37           HB2      GLU  37  -7.794  -5.503   7.261
    4    HB3  GLU  37           HB3      GLU  37  -6.664  -6.343   6.208
    5    HG2  GLU  37           HG2      GLU  37  -5.681  -6.309   8.361
    6    HG3  GLU  37           HG3      GLU  37  -4.809  -5.118   7.392

  No H/Q in entry =           6
  In of MODEL   24
    1    H    VAL  38           H        VAL  38  -4.846  -2.806   5.358
    2    HA   VAL  38           HA       VAL  38  -3.676  -4.658   3.431
    3    HB   VAL  38           HB       VAL  38  -4.072  -3.244   1.764
    4   HG11  VAL  38          HG11      VAL  38  -5.794  -2.156   3.017
    5   HG12  VAL  38          HG12      VAL  38  -4.614  -1.079   3.768
    6   HG13  VAL  38          HG13      VAL  38  -4.923  -0.978   2.033
    7   HG21  VAL  38          HG21      VAL  38  -2.040  -1.515   3.171
    8   HG22  VAL  38          HG22      VAL  38  -1.741  -2.710   1.915
    9   HG23  VAL  38          HG23      VAL  38  -2.610  -1.220   1.521

  No H/Q in entry =           9
  In of MODEL   24
    1    H    ASP  39           H        ASP  39  -1.521  -4.846   3.466
    2    HA   ASP  39           HA       ASP  39  -0.112  -3.493   5.663
    3    HB2  ASP  39           HB2      ASP  39   0.041  -5.348   6.915
    4    HB3  ASP  39           HB3      ASP  39  -1.105  -6.098   5.819

  No H/Q in entry =           4
  In of MODEL   24
    1    H    LEU  40           H        LEU  40   2.114  -3.343   5.432
    2    HA   LEU  40           HA       LEU  40   2.957  -3.632   2.653
    3    HB2  LEU  40           HB2      LEU  40   4.355  -2.013   4.766
    4    HB3  LEU  40           HB3      LEU  40   4.569  -1.919   3.029
    5    HG   LEU  40           HG       LEU  40   2.136  -1.016   4.573
    6   HD11  LEU  40          HD11      LEU  40   4.070   0.431   4.885
    7   HD12  LEU  40          HD12      LEU  40   4.282   0.545   3.135
    8   HD13  LEU  40          HD13      LEU  40   2.843   1.227   3.897
    9   HD21  LEU  40          HD21      LEU  40   2.723  -0.893   1.620
   10   HD22  LEU  40          HD22      LEU  40   1.437  -1.810   2.407
   11   HD23  LEU  40          HD23      LEU  40   1.403  -0.043   2.428

  No H/Q in entry =          11
  In of MODEL   24
    1    H    LEU  41           H        LEU  41   4.895  -4.583   2.099
    2    HA   LEU  41           HA       LEU  41   6.038  -6.325   4.184
    3    HB2  LEU  41           HB2      LEU  41   5.939  -7.059   1.307
    4    HB3  LEU  41           HB3      LEU  41   6.195  -8.084   2.680
    5    HG   LEU  41           HG       LEU  41   3.582  -6.770   2.066
    6   HD11  LEU  41          HD11      LEU  41   4.264  -8.312   0.280
    7   HD12  LEU  41          HD12      LEU  41   4.479  -9.587   1.479
    8   HD13  LEU  41          HD13      LEU  41   2.876  -8.922   1.176
    9   HD21  LEU  41          HD21      LEU  41   4.339  -9.001   3.942
   10   HD22  LEU  41          HD22      LEU  41   3.887  -7.361   4.403
   11   HD23  LEU  41          HD23      LEU  41   2.701  -8.423   3.646

  No H/Q in entry =          11
  In of MODEL   24
    1    H    LYS  42           H        LYS  42   8.091  -7.196   3.646
    2    HA   LYS  42           HA       LYS  42   9.646  -5.773   1.626
    3    HB2  LYS  42           HB2      LYS  42  10.706  -6.657   4.295
    4    HB3  LYS  42           HB3      LYS  42  11.511  -5.623   3.123
    5    HG2  LYS  42           HG2      LYS  42   9.806  -3.856   3.531
    6    HG3  LYS  42           HG3      LYS  42   9.006  -4.919   4.664
    7    HD2  LYS  42           HD2      LYS  42  10.392  -3.315   5.865
    8    HD3  LYS  42           HD3      LYS  42  11.025  -4.947   6.080
    9    HE2  LYS  42           HE2      LYS  42  12.649  -4.480   4.246
   10    HE3  LYS  42           HE3      LYS  42  12.081  -2.811   4.235
   11    HZ1  LYS  42           HZ1      LYS  42  12.749  -2.653   6.592
   12    HZ2  LYS  42           HZ2      LYS  42  13.390  -4.220   6.498
   13    HZ3  LYS  42           HZ3      LYS  42  14.059  -2.974   5.562

  No H/Q in entry =          13
  In of MODEL   24
    1    H    ASN  43           H        ASN  43  10.154  -7.213   0.239
    2    HA   ASN  43           HA       ASN  43  10.744  -9.121  -0.854
    3    HB2  ASN  43           HB2      ASN  43  11.897  -9.844   1.852
    4    HB3  ASN  43           HB3      ASN  43  12.229 -10.733   0.369
    5   HD21  ASN  43          HD21      ASN  43  13.825  -9.015   2.309
    6   HD22  ASN  43          HD22      ASN  43  14.683  -7.902   1.290

  No H/Q in entry =           6
  In of MODEL   24
    1    H    GLY  44           H        GLY  44   8.838  -9.382   1.976
    2    HA2  GLY  44           HA2      GLY  44   8.085 -12.133   1.626
    3    HA3  GLY  44           HA3      GLY  44   6.877 -10.989   1.045

  No H/Q in entry =           3
  In of MODEL   24
    1    H    GLU  45           H        GLU  45   8.614  -9.650   3.582
    2    HA   GLU  45           HA       GLU  45   6.914 -10.907   5.608
    3    HB2  GLU  45           HB2      GLU  45   9.542  -9.488   5.903
    4    HB3  GLU  45           HB3      GLU  45   8.717 -10.446   7.133
    5    HG2  GLU  45           HG2      GLU  45   9.757 -11.450   4.504
    6    HG3  GLU  45           HG3      GLU  45  10.531 -11.656   6.053

  No H/Q in entry =           6
  In of MODEL   24
    1    H    ARG  46           H        ARG  46   5.772  -9.740   7.028
    2    HA   ARG  46           HA       ARG  46   4.723  -7.287   6.232
    3    HB2  ARG  46           HB2      ARG  46   3.546  -8.949   7.643
    4    HB3  ARG  46           HB3      ARG  46   4.649  -8.591   8.955
    5    HG2  ARG  46           HG2      ARG  46   3.746  -6.419   9.190
    6    HG3  ARG  46           HG3      ARG  46   2.791  -6.607   7.703
    7    HD2  ARG  46           HD2      ARG  46   2.332  -7.854  10.378
    8    HD3  ARG  46           HD3      ARG  46   1.170  -7.203   9.226
    9    HE   ARG  46           HE       ARG  46   2.493  -9.813   8.954
   10   HH11  ARG  46          HH11      ARG  46  -0.203  -7.662   8.414
   11   HH12  ARG  46          HH12      ARG  46  -1.204  -8.875   7.678
   12   HH21  ARG  46          HH21      ARG  46   1.217 -11.419   7.952
   13   HH22  ARG  46          HH22      ARG  46  -0.387 -11.024   7.404

  No H/Q in entry =          13
  In of MODEL   24
    1    H    ILE  47           H        ILE  47   5.090  -5.213   6.762
    2    HA   ILE  47           HA       ILE  47   7.334  -4.531   8.512
    3    HB   ILE  47           HB       ILE  47   5.544  -2.736   6.850
    4   HG12  ILE  47          HG12      ILE  47   8.415  -3.458   6.311
    5   HG13  ILE  47          HG13      ILE  47   7.070  -4.268   5.519
    6   HG21  ILE  47          HG21      ILE  47   6.488  -1.607   8.793
    7   HG22  ILE  47          HG22      ILE  47   8.108  -2.120   8.317
    8   HG23  ILE  47          HG23      ILE  47   7.203  -0.997   7.301
    9   HD11  ILE  47          HD11      ILE  47   7.534  -1.299   5.411
   10   HD12  ILE  47          HD12      ILE  47   8.099  -2.425   4.181
   11   HD13  ILE  47          HD13      ILE  47   6.375  -2.237   4.474

  No H/Q in entry =          11
  In of MODEL   24
    1    H    GLU  48           H        GLU  48   7.004  -3.504  10.482
    2    HA   GLU  48           HA       GLU  48   4.260  -3.591  11.424
    3    HB2  GLU  48           HB2      GLU  48   5.473  -3.214  13.686
    4    HB3  GLU  48           HB3      GLU  48   5.561  -4.784  12.912
    5    HG2  GLU  48           HG2      GLU  48   7.707  -2.716  12.626
    6    HG3  GLU  48           HG3      GLU  48   7.682  -3.880  13.935

  No H/Q in entry =           6
  In of MODEL   24
    1    H    LYS  49           H        LYS  49   6.957  -1.269  11.196
    2    HA   LYS  49           HA       LYS  49   5.758   0.899  12.400
    3    HB2  LYS  49           HB2      LYS  49   7.743   0.791  10.140
    4    HB3  LYS  49           HB3      LYS  49   7.367   2.233  11.076
    5    HG2  LYS  49           HG2      LYS  49   8.041  -0.040  12.739
    6    HG3  LYS  49           HG3      LYS  49   9.335   0.418  11.627
    7    HD2  LYS  49           HD2      LYS  49   9.390   2.619  12.496
    8    HD3  LYS  49           HD3      LYS  49   7.859   2.396  13.337
    9    HE2  LYS  49           HE2      LYS  49   8.946   0.759  14.831
   10    HE3  LYS  49           HE3      LYS  49  10.485   1.061  14.020
   11    HZ1  LYS  49           HZ1      LYS  49  10.286   3.403  14.686
   12    HZ2  LYS  49           HZ2      LYS  49   8.881   3.030  15.557
   13    HZ3  LYS  49           HZ3      LYS  49  10.367   2.349  16.015

  No H/Q in entry =          13
  In of MODEL   24
    1    H    VAL  50           H        VAL  50   4.459  -0.597   9.800
    2    HA   VAL  50           HA       VAL  50   3.686   1.564   8.151
    3    HB   VAL  50           HB       VAL  50   2.243  -1.044   8.617
    4   HG11  VAL  50          HG11      VAL  50   0.880   0.748   7.575
    5   HG12  VAL  50          HG12      VAL  50   2.090   0.871   6.292
    6   HG13  VAL  50          HG13      VAL  50   1.171  -0.623   6.495
    7   HG21  VAL  50          HG21      VAL  50   4.578  -1.317   7.899
    8   HG22  VAL  50          HG22      VAL  50   3.436  -1.840   6.668
    9   HG23  VAL  50          HG23      VAL  50   4.252  -0.291   6.504

  No H/Q in entry =           9
  In of MODEL   24
    1    H    GLU  51           H        GLU  51   2.158   3.058   8.363
    2    HA   GLU  51           HA       GLU  51   0.000   2.591  10.287
    3    HB2  GLU  51           HB2      GLU  51   1.539   5.182  10.041
    4    HB3  GLU  51           HB3      GLU  51   0.109   4.932  11.034
    5    HG2  GLU  51           HG2      GLU  51   1.370   3.221  12.316
    6    HG3  GLU  51           HG3      GLU  51   2.804   3.647  11.381

  No H/Q in entry =           6
  In of MODEL   24
    1    H    HIS  52           H        HIS  52  -1.908   3.504   9.812
    2    HA   HIS  52           HA       HIS  52  -2.207   4.641   7.120
    3    HB2  HIS  52           HB2      HIS  52  -4.615   4.087   7.319
    4    HB3  HIS  52           HB3      HIS  52  -3.570   2.678   7.414
    5    HD2  HIS  52           HD2      HIS  52  -3.219   1.783  10.218
    6    HE1  HIS  52           HE1      HIS  52  -7.027   3.325  11.228
    7    HE2  HIS  52           HE2      HIS  52  -5.197   1.702  11.897

  No H/Q in entry =           7
  In of MODEL   24
    1    H    SER  53           H        SER  53  -2.832   6.699   6.863
    2    HA   SER  53           HA       SER  53  -3.060   8.367   9.203
    3    HB2  SER  53           HB2      SER  53  -1.814   8.997   7.084
    4    HB3  SER  53           HB3      SER  53  -3.385   9.234   6.327
    5    HG   SER  53           HG       SER  53  -2.029  10.839   8.074

  No H/Q in entry =           5
  In of MODEL   24
    1    H    ASP  54           H        ASP  54  -4.762  10.367   8.265
    2    HA   ASP  54           HA       ASP  54  -7.183   9.533   9.410
    3    HB2  ASP  54           HB2      ASP  54  -6.367  11.857   9.432
    4    HB3  ASP  54           HB3      ASP  54  -6.634  11.965   7.696

  No H/Q in entry =           4
  In of MODEL   24
    1    H    LEU  55           H        LEU  55  -9.145   8.981   8.595
    2    HA   LEU  55           HA       LEU  55  -9.193   7.857   5.931
    3    HB2  LEU  55           HB2      LEU  55 -10.222   7.031   8.239
    4    HB3  LEU  55           HB3      LEU  55 -11.572   8.019   7.737
    5    HG   LEU  55           HG       LEU  55 -11.971   5.702   7.179
    6   HD11  LEU  55          HD11      LEU  55 -12.893   7.371   5.675
    7   HD12  LEU  55          HD12      LEU  55 -11.419   7.324   4.706
    8   HD13  LEU  55          HD13      LEU  55 -12.457   5.901   4.802
    9   HD21  LEU  55          HD21      LEU  55  -9.429   5.875   5.577
   10   HD22  LEU  55          HD22      LEU  55  -9.715   4.884   7.008
   11   HD23  LEU  55          HD23      LEU  55 -10.580   4.540   5.509

  No H/Q in entry =          11
  In of MODEL   24
    1    H    SER  56           H        SER  56  -9.248   9.768   4.485
    2    HA   SER  56           HA       SER  56 -11.754  11.063   4.227
    3    HB2  SER  56           HB2      SER  56  -9.467  12.779   5.172
    4    HB3  SER  56           HB3      SER  56 -11.015  13.377   4.605
    5    HG   SER  56           HG       SER  56 -10.304  12.438   7.061

  No H/Q in entry =           5
  In of MODEL   24
    1    H    PHE  57           H        PHE  57 -11.925  12.235   2.424
    2    HA   PHE  57           HA       PHE  57  -9.928  13.194   0.798
    3    HB2  PHE  57           HB2      PHE  57  -9.441  10.734   0.436
    4    HB3  PHE  57           HB3      PHE  57 -10.970  10.642  -0.431
    5    HD1  PHE  57           HD1      PHE  57 -11.122  11.311  -2.679
    6    HD2  PHE  57           HD2      PHE  57  -7.638  12.256  -0.426
    7    HE1  PHE  57           HE1      PHE  57  -9.984  12.020  -4.741
    8    HE2  PHE  57           HE2      PHE  57  -6.493  12.968  -2.487
    9    HZ   PHE  57           HZ       PHE  57  -7.669  12.852  -4.646

  No H/Q in entry =           9
  In of MODEL   24
    1    H    SER  58           H        SER  58 -10.783  14.536  -0.774
    2    HA   SER  58           HA       SER  58 -13.699  14.307  -1.139
    3    HB2  SER  58           HB2      SER  58 -12.013  16.799  -1.474
    4    HB3  SER  58           HB3      SER  58 -13.774  16.696  -1.419
    5    HG   SER  58           HG       SER  58 -11.935  16.176   0.693

  No H/Q in entry =           5
  In of MODEL   24
    1    H    LYS  59           H        LYS  59 -14.443  13.920  -3.158
    2    HA   LYS  59           HA       LYS  59 -13.405  14.841  -5.540
    3    HB2  LYS  59           HB2      LYS  59 -11.457  13.407  -5.137
    4    HB3  LYS  59           HB3      LYS  59 -12.507  12.012  -4.935
    5    HG2  LYS  59           HG2      LYS  59 -13.199  12.151  -7.250
    6    HG3  LYS  59           HG3      LYS  59 -12.246  13.618  -7.472
    7    HD2  LYS  59           HD2      LYS  59 -11.048  10.985  -6.634
    8    HD3  LYS  59           HD3      LYS  59 -11.210  11.473  -8.321
    9    HE2  LYS  59           HE2      LYS  59  -9.681  12.975  -6.193
   10    HE3  LYS  59           HE3      LYS  59  -8.972  11.949  -7.439
   11    HZ1  LYS  59           HZ1      LYS  59 -10.134  13.483  -9.074
   12    HZ2  LYS  59           HZ2      LYS  59 -10.345  14.552  -7.770
   13    HZ3  LYS  59           HZ3      LYS  59  -8.782  14.105  -8.262

  No H/Q in entry =          13
  In of MODEL   24
    1    H    ASP  60           H        ASP  60 -14.284  11.414  -5.152
    2    HA   ASP  60           HA       ASP  60 -17.031  12.132  -5.931
    3    HB2  ASP  60           HB2      ASP  60 -15.754  11.076  -7.792
    4    HB3  ASP  60           HB3      ASP  60 -15.532   9.647  -6.788

  No H/Q in entry =           4
  In of MODEL   24
    1    H    TRP  61           H        TRP  61 -15.008  10.595  -3.739
    2    HA   TRP  61           HA       TRP  61 -15.392   9.776  -1.689
    3    HB2  TRP  61           HB2      TRP  61 -18.238  10.509  -2.337
    4    HB3  TRP  61           HB3      TRP  61 -17.762   9.811  -0.789
    5    HD1  TRP  61           HD1      TRP  61 -16.173  11.320   0.796
    6    HE1  TRP  61           HE1      TRP  61 -15.803  13.869   0.910
    7    HE3  TRP  61           HE3      TRP  61 -18.172  12.629  -3.724
    8    HZ2  TRP  61           HZ2      TRP  61 -16.302  16.124  -0.700
    9    HZ3  TRP  61           HZ3      TRP  61 -18.194  14.996  -4.373
   10    HH2  TRP  61           HH2      TRP  61 -17.266  16.731  -2.870

  No H/Q in entry =          10
  In of MODEL   24
    1    H    SER  62           H        SER  62 -14.834   7.941  -3.486
    2    HA   SER  62           HA       SER  62 -16.762   5.771  -3.170
    3    HB2  SER  62           HB2      SER  62 -14.117   5.842  -4.665
    4    HB3  SER  62           HB3      SER  62 -15.296   4.529  -4.732
    5    HG   SER  62           HG       SER  62 -16.703   6.593  -5.333

  No H/Q in entry =           5
  In of MODEL   24
    1    H    PHE  63           H        PHE  63 -14.933   7.009  -1.060
    2    HA   PHE  63           HA       PHE  63 -14.026   6.364   0.905
    3    HB2  PHE  63           HB2      PHE  63 -14.643   3.494   0.219
    4    HB3  PHE  63           HB3      PHE  63 -14.494   4.220   1.812
    5    HD1  PHE  63           HD1      PHE  63 -16.286   6.289   2.142
    6    HD2  PHE  63           HD2      PHE  63 -16.728   2.923  -0.442
    7    HE1  PHE  63           HE1      PHE  63 -18.773   6.527   2.238
    8    HE2  PHE  63           HE2      PHE  63 -19.175   3.170  -0.364
    9    HZ   PHE  63           HZ       PHE  63 -20.188   4.969   0.973

  No H/Q in entry =           9
  In of MODEL   24
    1    H    TYR  64           H        TYR  64 -12.096   5.892   1.757
    2    HA   TYR  64           HA       TYR  64 -10.063   4.816  -0.069
    3    HB2  TYR  64           HB2      TYR  64  -9.394   7.347   1.323
    4    HB3  TYR  64           HB3      TYR  64  -8.929   6.790  -0.286
    5    HD1  TYR  64           HD1      TYR  64 -10.326   7.268  -2.209
    6    HD2  TYR  64           HD2      TYR  64 -11.454   8.517   1.695
    7    HE1  TYR  64           HE1      TYR  64 -12.005   8.759  -3.185
    8    HE2  TYR  64           HE2      TYR  64 -13.127  10.034   0.753
    9    HH   TYR  64           HH       TYR  64 -13.624  11.163  -1.278

  No H/Q in entry =           9
  In of MODEL   24
    1    H    LEU  65           H        LEU  65  -8.273   3.971   1.004
    2    HA   LEU  65           HA       LEU  65  -7.751   4.875   3.706
    3    HB2  LEU  65           HB2      LEU  65  -9.137   3.057   4.218
    4    HB3  LEU  65           HB3      LEU  65  -8.427   2.045   2.975
    5    HG   LEU  65           HG       LEU  65  -6.472   2.784   4.988
    6   HD11  LEU  65          HD11      LEU  65  -8.538   2.883   6.372
    7   HD12  LEU  65          HD12      LEU  65  -8.872   1.214   5.911
    8   HD13  LEU  65          HD13      LEU  65  -7.426   1.600   6.845
    9   HD21  LEU  65          HD21      LEU  65  -6.307   0.998   3.304
   10   HD22  LEU  65          HD22      LEU  65  -6.116   0.399   4.953
   11   HD23  LEU  65          HD23      LEU  65  -7.641   0.160   4.096

  No H/Q in entry =          11
  In of MODEL   24
    1    H    LEU  66           H        LEU  66  -5.665   5.088   4.098
    2    HA   LEU  66           HA       LEU  66  -3.824   4.298   1.940
    3    HB2  LEU  66           HB2      LEU  66  -4.512   6.777   2.463
    4    HB3  LEU  66           HB3      LEU  66  -3.386   6.611   3.775
    5    HG   LEU  66           HG       LEU  66  -2.712   6.326   0.867
    6   HD11  LEU  66          HD11      LEU  66  -3.214   8.629   1.488
    7   HD12  LEU  66          HD12      LEU  66  -2.077   8.525   2.829
    8   HD13  LEU  66          HD13      LEU  66  -1.490   8.431   1.170
    9   HD21  LEU  66          HD21      LEU  66  -0.944   6.215   3.290
   10   HD22  LEU  66          HD22      LEU  66  -1.253   4.919   2.140
   11   HD23  LEU  66          HD23      LEU  66  -0.363   6.356   1.635

  No H/Q in entry =          11
  In of MODEL   24
    1    H    TYR  67           H        TYR  67  -2.154   3.047   2.505
    2    HA   TYR  67           HA       TYR  67  -1.328   2.996   5.330
    3    HB2  TYR  67           HB2      TYR  67  -1.845   0.771   3.453
    4    HB3  TYR  67           HB3      TYR  67  -0.460   0.604   4.525
    5    HD1  TYR  67           HD1      TYR  67  -0.835   0.739   7.021
    6    HD2  TYR  67           HD2      TYR  67  -4.035   0.414   4.237
    7    HE1  TYR  67           HE1      TYR  67  -2.315  -0.057   8.824
    8    HE2  TYR  67           HE2      TYR  67  -5.508  -0.389   6.021
    9    HH   TYR  67           HH       TYR  67  -5.249  -1.541   8.280

  No H/Q in entry =           9
  In of MODEL   24
    1    H    TYR  68           H        TYR  68   0.590   3.765   5.656
    2    HA   TYR  68           HA       TYR  68   2.618   3.514   3.534
    3    HB2  TYR  68           HB2      TYR  68   3.288   5.860   3.862
    4    HB3  TYR  68           HB3      TYR  68   1.615   5.753   3.325
    5    HD1  TYR  68           HD1      TYR  68   3.800   6.488   6.213
    6    HD2  TYR  68           HD2      TYR  68  -0.171   6.537   4.694
    7    HE1  TYR  68           HE1      TYR  68   3.102   7.901   8.100
    8    HE2  TYR  68           HE2      TYR  68  -0.882   7.957   6.569
    9    HH   TYR  68           HH       TYR  68  -0.046   8.350   8.998

  No H/Q in entry =           9
  In of MODEL   24
    1    H    THR  69           H        THR  69   4.842   4.105   4.329
    2    HA   THR  69           HA       THR  69   5.295   4.093   7.166
    3    HB   THR  69           HB       THR  69   4.901   1.652   6.630
    4    HG1  THR  69           HG1      THR  69   6.124   2.180   8.438
    5   HG21  THR  69          HG21      THR  69   7.448   2.021   5.048
    6   HG22  THR  69          HG22      THR  69   6.820   0.453   5.558
    7   HG23  THR  69          HG23      THR  69   5.885   1.456   4.448

  No H/Q in entry =           7
  In of MODEL   24
    1    H    GLU  70           H        GLU  70   7.335   4.794   7.655
    2    HA   GLU  70           HA       GLU  70   8.900   5.980   5.553
    3    HB2  GLU  70           HB2      GLU  70   8.572   6.929   7.898
    4    HB3  GLU  70           HB3      GLU  70   9.663   5.677   8.465
    5    HG2  GLU  70           HG2      GLU  70  11.419   6.586   6.983
    6    HG3  GLU  70           HG3      GLU  70  10.319   7.892   6.535

  No H/Q in entry =           6
  In of MODEL   24
    1    H    PHE  71           H        PHE  71  10.794   5.204   4.670
    2    HA   PHE  71           HA       PHE  71  11.941   2.770   5.722
    3    HB2  PHE  71           HB2      PHE  71  11.634   1.407   3.752
    4    HB3  PHE  71           HB3      PHE  71  10.061   1.944   4.318
    5    HD1  PHE  71           HD1      PHE  71  10.378   4.795   3.064
    6    HD2  PHE  71           HD2      PHE  71  10.898   0.846   1.591
    7    HE1  PHE  71           HE1      PHE  71   9.828   5.572   0.788
    8    HE2  PHE  71           HE2      PHE  71  10.344   1.593  -0.676
    9    HZ   PHE  71           HZ       PHE  71   9.821   3.972  -1.093

  No H/Q in entry =           9
  In of MODEL   24
    1    H    THR  72           H        THR  72  13.912   2.125   4.536
    2    HA   THR  72           HA       THR  72  15.086   4.344   2.987
    3    HB   THR  72           HB       THR  72  16.570   2.481   4.853
    4    HG1  THR  72           HG1      THR  72  15.384   3.826   6.148
    5   HG21  THR  72          HG21      THR  72  17.950   3.365   3.025
    6   HG22  THR  72          HG22      THR  72  17.461   5.007   3.447
    7   HG23  THR  72          HG23      THR  72  18.427   4.056   4.575

  No H/Q in entry =           7
  In of MODEL   24
    1    HA   PRO  73           HA       PRO  73  14.717   0.671   0.122
    2    HB2  PRO  73           HB2      PRO  73  15.470   2.406  -1.990
    3    HB3  PRO  73           HB3      PRO  73  13.827   1.886  -1.581
    4    HG2  PRO  73           HG2      PRO  73  15.270   4.394  -0.843
    5    HG3  PRO  73           HG3      PRO  73  13.554   4.164  -1.237
    6    HD2  PRO  73           HD2      PRO  73  14.311   4.505   1.284
    7    HD3  PRO  73           HD3      PRO  73  13.065   3.291   0.880

  No H/Q in entry =           7
  In of MODEL   24
    1    H    THR  74           H        THR  74  16.222  -0.556  -0.784
    2    HA   THR  74           HA       THR  74  18.946   0.413  -1.099
    3    HB   THR  74           HB       THR  74  19.874  -1.603  -0.062
    4    HG1  THR  74           HG1      THR  74  18.512  -3.077   0.992
    5   HG21  THR  74          HG21      THR  74  17.914  -0.205   1.759
    6   HG22  THR  74          HG22      THR  74  19.281  -1.185   2.292
    7   HG23  THR  74          HG23      THR  74  19.564   0.311   1.403

  No H/Q in entry =           7
  In of MODEL   24
    1    H    GLU  75           H        GLU  75  20.224  -1.324  -2.334
    2    HA   GLU  75           HA       GLU  75  18.829  -2.155  -4.646
    3    HB2  GLU  75           HB2      GLU  75  21.319  -1.572  -4.262
    4    HB3  GLU  75           HB3      GLU  75  21.482  -3.224  -3.727
    5    HG2  GLU  75           HG2      GLU  75  20.336  -2.623  -6.409
    6    HG3  GLU  75           HG3      GLU  75  22.072  -2.583  -6.133

  No H/Q in entry =           6
  In of MODEL   24
    1    H    LYS  76           H        LYS  76  20.059  -3.814  -1.827
    2    HA   LYS  76           HA       LYS  76  19.462  -6.401  -2.799
    3    HB2  LYS  76           HB2      LYS  76  20.480  -5.410  -0.153
    4    HB3  LYS  76           HB3      LYS  76  20.205  -7.112  -0.499
    5    HG2  LYS  76           HG2      LYS  76  22.164  -5.262  -1.844
    6    HG3  LYS  76           HG3      LYS  76  22.497  -6.746  -0.926
    7    HD2  LYS  76           HD2      LYS  76  21.276  -8.034  -2.622
    8    HD3  LYS  76           HD3      LYS  76  21.009  -6.546  -3.531
    9    HE2  LYS  76           HE2      LYS  76  23.578  -6.328  -3.511
   10    HE3  LYS  76           HE3      LYS  76  23.577  -8.031  -3.047
   11    HZ1  LYS  76           HZ1      LYS  76  22.247  -8.489  -5.060
   12    HZ2  LYS  76           HZ2      LYS  76  22.407  -6.863  -5.517
   13    HZ3  LYS  76           HZ3      LYS  76  23.779  -7.855  -5.417

  No H/Q in entry =          13
  In of MODEL   24
    1    H    ASP  77           H        ASP  77  17.715  -4.147  -0.753
    2    HA   ASP  77           HA       ASP  77  15.900  -6.329   0.008
    3    HB2  ASP  77           HB2      ASP  77  16.760  -3.959   1.381
    4    HB3  ASP  77           HB3      ASP  77  15.010  -3.914   1.173

  No H/Q in entry =           4
  In of MODEL   24
    1    H    GLU  78           H        GLU  78  13.537  -5.651   0.096
    2    HA   GLU  78           HA       GLU  78  12.688  -3.961  -2.110
    3    HB2  GLU  78           HB2      GLU  78  13.405  -6.267  -3.009
    4    HB3  GLU  78           HB3      GLU  78  11.982  -6.898  -2.212
    5    HG2  GLU  78           HG2      GLU  78  11.340  -6.596  -4.422
    6    HG3  GLU  78           HG3      GLU  78  10.689  -5.166  -3.637

  No H/Q in entry =           6
  In of MODEL   24
    1    H    TYR  79           H        TYR  79  10.494  -3.448  -1.901
    2    HA   TYR  79           HA       TYR  79   9.231  -4.592   0.474
    3    HB2  TYR  79           HB2      TYR  79   8.676  -1.750  -0.388
    4    HB3  TYR  79           HB3      TYR  79   8.389  -2.512   1.179
    5    HD1  TYR  79           HD1      TYR  79   9.692  -1.749   2.892
    6    HD2  TYR  79           HD2      TYR  79  11.384  -1.860  -1.015
    7    HE1  TYR  79           HE1      TYR  79  11.783  -0.782   3.772
    8    HE2  TYR  79           HE2      TYR  79  13.477  -0.926  -0.136
    9    HH   TYR  79           HH       TYR  79  14.236   0.419   1.788

  No H/Q in entry =           9
  In of MODEL   24
    1    H    ALA  80           H        ALA  80   6.838  -4.496   0.520
    2    HA   ALA  80           HA       ALA  80   5.672  -4.618  -2.165
    3    HB1  ALA  80           HB1      ALA  80   6.632  -6.882  -1.507
    4    HB2  ALA  80           HB2      ALA  80   4.931  -6.842  -1.982
    5    HB3  ALA  80           HB3      ALA  80   5.365  -6.929  -0.280

  No H/Q in entry =           5
  In of MODEL   24
    1    H    CYS  81           H        CYS  81   3.271  -4.906  -2.055
    2    HA   CYS  81           HA       CYS  81   2.217  -3.974   0.538
    3    HB2  CYS  81           HB2      CYS  81   2.187  -2.135  -1.140
    4    HB3  CYS  81           HB3      CYS  81   1.108  -3.116  -2.134

  No H/Q in entry =           4
  In of MODEL   24
    1    H    ARG  82           H        ARG  82   0.489  -5.032   1.344
    2    HA   ARG  82           HA       ARG  82  -0.739  -7.193  -0.282
    3    HB2  ARG  82           HB2      ARG  82   0.821  -7.811   1.692
    4    HB3  ARG  82           HB3      ARG  82  -0.430  -7.134   2.716
    5    HG2  ARG  82           HG2      ARG  82  -2.026  -8.777   1.880
    6    HG3  ARG  82           HG3      ARG  82  -0.759  -9.485   0.873
    7    HD2  ARG  82           HD2      ARG  82  -0.404  -9.196   3.846
    8    HD3  ARG  82           HD3      ARG  82  -1.244 -10.581   3.171
    9    HE   ARG  82           HE       ARG  82   0.947 -10.809   1.809
   10   HH11  ARG  82          HH11      ARG  82   0.796  -9.533   5.044
   11   HH12  ARG  82          HH12      ARG  82   2.212 -10.378   5.593
   12   HH21  ARG  82          HH21      ARG  82   2.860 -11.903   2.493
   13   HH22  ARG  82          HH22      ARG  82   3.400 -11.722   4.129

  No H/Q in entry =          13
  In of MODEL   24
    1    H    VAL  83           H        VAL  83  -2.978  -7.259  -0.288
    2    HA   VAL  83           HA       VAL  83  -4.347  -5.814   1.874
    3    HB   VAL  83           HB       VAL  83  -5.886  -4.721   0.574
    4   HG11  VAL  83          HG11      VAL  83  -3.421  -4.758  -1.109
    5   HG12  VAL  83          HG12      VAL  83  -4.719  -3.571  -1.215
    6   HG13  VAL  83          HG13      VAL  83  -3.764  -3.704   0.263
    7   HG21  VAL  83          HG21      VAL  83  -5.217  -6.537  -1.729
    8   HG22  VAL  83          HG22      VAL  83  -6.678  -6.584  -0.740
    9   HG23  VAL  83          HG23      VAL  83  -6.362  -5.199  -1.784

  No H/Q in entry =           9
  In of MODEL   24
    1    H    ASN  84           H        ASN  84  -6.083  -6.743   2.680
    2    HA   ASN  84           HA       ASN  84  -6.825  -9.383   1.631
    3    HB2  ASN  84           HB2      ASN  84  -7.056  -8.437   4.501
    4    HB3  ASN  84           HB3      ASN  84  -7.275 -10.076   3.909
    5   HD21  ASN  84          HD21      ASN  84  -4.891  -7.533   4.393
    6   HD22  ASN  84          HD22      ASN  84  -3.527  -8.587   4.536

  No H/Q in entry =           6
  In of MODEL   24
    1    H    HIS  85           H        HIS  85  -8.806  -9.185   0.571
    2    HA   HIS  85           HA       HIS  85 -10.974  -8.207   2.265
    3    HB2  HIS  85           HB2      HIS  85 -10.213  -6.607   0.303
    4    HB3  HIS  85           HB3      HIS  85 -11.087  -7.764  -0.697
    5    HD2  HIS  85           HD2      HIS  85 -11.885  -5.382   2.351
    6    HE1  HIS  85           HE1      HIS  85 -15.386  -6.088   0.081
    7    HE2  HIS  85           HE2      HIS  85 -14.444  -4.993   2.170

  No H/Q in entry =           7
  In of MODEL   24
    1    H    VAL  86           H        VAL  86 -13.028  -9.181   1.643
    2    HA   VAL  86           HA       VAL  86 -12.743 -11.964   1.251
    3    HB   VAL  86           HB       VAL  86 -15.171 -12.090   1.305
    4   HG11  VAL  86          HG11      VAL  86 -14.074 -10.096   3.281
    5   HG12  VAL  86          HG12      VAL  86 -15.574 -11.003   3.473
    6   HG13  VAL  86          HG13      VAL  86 -14.030 -11.854   3.424
    7   HG21  VAL  86          HG21      VAL  86 -15.660 -10.159  -0.118
    8   HG22  VAL  86          HG22      VAL  86 -16.569 -10.099   1.393
    9   HG23  VAL  86          HG23      VAL  86 -15.149  -9.076   1.176

  No H/Q in entry =           9
  In of MODEL   24
    1    H    THR  87           H        THR  87 -13.171  -9.351  -0.958
    2    HA   THR  87           HA       THR  87 -14.525 -10.711  -3.020
    3    HB   THR  87           HB       THR  87 -13.627  -8.853  -4.448
    4    HG1  THR  87           HG1      THR  87 -12.721  -7.417  -2.297
    5   HG21  THR  87          HG21      THR  87 -14.882  -8.063  -1.823
    6   HG22  THR  87          HG22      THR  87 -14.814  -7.039  -3.256
    7   HG23  THR  87          HG23      THR  87 -15.738  -8.544  -3.289

  No H/Q in entry =           7
  In of MODEL   24
    1    H    LEU  88           H        LEU  88 -11.127 -10.000  -2.453
    2    HA   LEU  88           HA       LEU  88 -10.151 -11.128  -4.837
    3    HB2  LEU  88           HB2      LEU  88  -8.772 -10.685  -2.181
    4    HB3  LEU  88           HB3      LEU  88  -7.938 -11.188  -3.637
    5    HG   LEU  88           HG       LEU  88  -9.374  -8.565  -3.204
    6   HD11  LEU  88          HD11      LEU  88  -6.445  -9.218  -3.592
    7   HD12  LEU  88          HD12      LEU  88  -7.135  -7.589  -3.512
    8   HD13  LEU  88          HD13      LEU  88  -7.209  -8.653  -2.099
    9   HD21  LEU  88          HD21      LEU  88  -9.679  -9.382  -5.494
   10   HD22  LEU  88          HD22      LEU  88  -8.633  -7.962  -5.438
   11   HD23  LEU  88          HD23      LEU  88  -7.931  -9.566  -5.654

  No H/Q in entry =          11
  In of MODEL   24
    1    H    SER  89           H        SER  89 -11.123 -12.500  -1.832
    2    HA   SER  89           HA       SER  89 -11.303 -14.588  -0.982
    3    HB2  SER  89           HB2      SER  89 -10.515 -15.934  -3.494
    4    HB3  SER  89           HB3      SER  89 -11.779 -16.346  -2.353
    5    HG   SER  89           HG       SER  89 -11.907 -14.870  -4.610

  No H/Q in entry =           5
  In of MODEL   24
    1    H    GLN  90           H        GLN  90  -8.529 -13.394  -2.271
    2    HA   GLN  90           HA       GLN  90  -6.764 -15.090  -0.752
    3    HB2  GLN  90           HB2      GLN  90  -5.960 -14.673  -3.601
    4    HB3  GLN  90           HB3      GLN  90  -5.538 -15.983  -2.510
    5    HG2  GLN  90           HG2      GLN  90  -7.330 -17.237  -3.095
    6    HG3  GLN  90           HG3      GLN  90  -8.357 -15.836  -3.414
    7   HE21  GLN  90          HE21      GLN  90  -9.081 -16.384  -5.387
    8   HE22  GLN  90          HE22      GLN  90  -8.065 -16.556  -6.779

  No H/Q in entry =           8
  In of MODEL   24
    1    HA   PRO  91           HA       PRO  91  -5.682 -10.712  -0.264
    2    HB2  PRO  91           HB2      PRO  91  -3.197 -12.041   0.758
    3    HB3  PRO  91           HB3      PRO  91  -4.115 -10.671   1.418
    4    HG2  PRO  91           HG2      PRO  91  -4.392 -13.055   2.507
    5    HG3  PRO  91           HG3      PRO  91  -5.818 -12.021   2.227
    6    HD2  PRO  91           HD2      PRO  91  -4.873 -14.437   0.688
    7    HD3  PRO  91           HD3      PRO  91  -6.546 -13.927   1.078

  No H/Q in entry =           7
  In of MODEL   24
    1    H    LYS  92           H        LYS  92  -4.151  -9.257  -1.124
    2    HA   LYS  92           HA       LYS  92  -2.927 -10.388  -3.545
    3    HB2  LYS  92           HB2      LYS  92  -4.940  -8.949  -3.930
    4    HB3  LYS  92           HB3      LYS  92  -4.054  -7.611  -3.223
    5    HG2  LYS  92           HG2      LYS  92  -3.915  -7.494  -5.627
    6    HG3  LYS  92           HG3      LYS  92  -2.324  -7.878  -4.949
    7    HD2  LYS  92           HD2      LYS  92  -2.614  -9.333  -6.791
    8    HD3  LYS  92           HD3      LYS  92  -2.885 -10.299  -5.340
    9    HE2  LYS  92           HE2      LYS  92  -5.316 -10.018  -5.639
   10    HE3  LYS  92           HE3      LYS  92  -5.009  -9.134  -7.134
   11    HZ1  LYS  92           HZ1      LYS  92  -3.933 -11.108  -8.031
   12    HZ2  LYS  92           HZ2      LYS  92  -4.246 -11.952  -6.593
   13    HZ3  LYS  92           HZ3      LYS  92  -5.533 -11.447  -7.574

  No H/Q in entry =          13
  In of MODEL   24
    1    H    ILE  93           H        ILE  93  -0.827 -10.109  -3.745
    2    HA   ILE  93           HA       ILE  93   0.446  -7.936  -2.216
    3    HB   ILE  93           HB       ILE  93   1.653 -10.562  -3.086
    4   HG12  ILE  93          HG12      ILE  93   2.174 -10.657  -0.556
    5   HG13  ILE  93          HG13      ILE  93   0.951  -9.409  -0.395
    6   HG21  ILE  93          HG21      ILE  93   3.242  -8.742  -3.412
    7   HG22  ILE  93          HG22      ILE  93   3.004  -8.235  -1.738
    8   HG23  ILE  93          HG23      ILE  93   3.741  -9.799  -2.087
    9   HD11  ILE  93          HD11      ILE  93   0.515 -12.146  -1.562
   10   HD12  ILE  93          HD12      ILE  93   0.078 -11.636   0.066
   11   HD13  ILE  93          HD13      ILE  93  -0.714 -10.903  -1.327

  No H/Q in entry =          11
  In of MODEL   24
    1    H    VAL  94           H        VAL  94   1.357  -6.411  -3.365
    2    HA   VAL  94           HA       VAL  94   2.306  -7.050  -6.069
    3    HB   VAL  94           HB       VAL  94   0.995  -4.455  -5.223
    4   HG11  VAL  94          HG11      VAL  94   2.251  -5.230  -7.854
    5   HG12  VAL  94          HG12      VAL  94   1.311  -3.766  -7.567
    6   HG13  VAL  94          HG13      VAL  94   2.843  -4.010  -6.727
    7   HG21  VAL  94          HG21      VAL  94  -0.604  -6.253  -5.651
    8   HG22  VAL  94          HG22      VAL  94  -0.694  -5.014  -6.902
    9   HG23  VAL  94          HG23      VAL  94   0.131  -6.538  -7.229

  No H/Q in entry =           9
  In of MODEL   24
    1    H    LYS  95           H        LYS  95   4.348  -6.529  -6.411
    2    HA   LYS  95           HA       LYS  95   5.817  -5.518  -4.125
    3    HB2  LYS  95           HB2      LYS  95   7.537  -6.760  -4.844
    4    HB3  LYS  95           HB3      LYS  95   6.365  -7.504  -5.913
    5    HG2  LYS  95           HG2      LYS  95   7.091  -6.227  -7.754
    6    HG3  LYS  95           HG3      LYS  95   8.004  -5.123  -6.715
    7    HD2  LYS  95           HD2      LYS  95   9.154  -7.414  -6.001
    8    HD3  LYS  95           HD3      LYS  95   8.665  -7.859  -7.631
    9    HE2  LYS  95           HE2      LYS  95  11.000  -6.779  -7.198
   10    HE3  LYS  95           HE3      LYS  95  10.060  -6.324  -8.621
   11    HZ1  LYS  95           HZ1      LYS  95   9.251  -4.396  -7.286
   12    HZ2  LYS  95           HZ2      LYS  95  10.368  -4.808  -6.084
   13    HZ3  LYS  95           HZ3      LYS  95  10.904  -4.366  -7.621

  No H/Q in entry =          13
  In of MODEL   24
    1    H    TRP  96           H        TRP  96   6.893  -3.668  -4.031
    2    HA   TRP  96           HA       TRP  96   6.092  -1.537  -5.734
    3    HB2  TRP  96           HB2      TRP  96   6.554  -1.167  -3.347
    4    HB3  TRP  96           HB3      TRP  96   8.230  -1.676  -3.561
    5    HD1  TRP  96           HD1      TRP  96   5.885   1.135  -4.892
    6    HE1  TRP  96           HE1      TRP  96   7.320   3.277  -5.120
    7    HE3  TRP  96           HE3      TRP  96  10.445  -0.755  -3.529
    8    HZ2  TRP  96           HZ2      TRP  96   9.989   4.053  -4.762
    9    HZ3  TRP  96           HZ3      TRP  96  12.387   0.755  -3.485
   10    HH2  TRP  96           HH2      TRP  96  12.152   3.132  -4.088

  No H/Q in entry =          10
  In of MODEL   24
    1    H    ASP  97           H        ASP  97   6.964  -0.955  -7.595
    2    HA   ASP  97           HA       ASP  97   9.696  -1.868  -8.204
    3    HB2  ASP  97           HB2      ASP  97   9.082  -2.011 -10.569
    4    HB3  ASP  97           HB3      ASP  97   8.019  -3.036  -9.608

  No H/Q in entry =           4
  In of MODEL   24
    1    H    ARG  98           H        ARG  98  11.117  -0.394  -8.923
    2    HA   ARG  98           HA       ARG  98  10.188   2.376  -8.893
    3    HB2  ARG  98           HB2      ARG  98  12.614   2.907  -8.612
    4    HB3  ARG  98           HB3      ARG  98  11.981   1.877  -7.341
    5    HG2  ARG  98           HG2      ARG  98  13.184   0.459  -9.616
    6    HG3  ARG  98           HG3      ARG  98  14.291   1.431  -8.663
    7    HD2  ARG  98           HD2      ARG  98  12.415  -0.525  -7.364
    8    HD3  ARG  98           HD3      ARG  98  13.975  -1.040  -8.012
    9    HE   ARG  98           HE       ARG  98  14.264   1.186  -6.271
   10   HH11  ARG  98          HH11      ARG  98  13.624  -2.260  -6.220
   11   HH12  ARG  98          HH12      ARG  98  14.509  -2.540  -4.760
   12   HH21  ARG  98          HH21      ARG  98  15.462   0.804  -4.333
   13   HH22  ARG  98          HH22      ARG  98  15.587  -0.810  -3.708

  No H/Q in entry =          13
  In of MODEL   24
    1    H    ASP  99           H        ASP  99  11.977   0.073 -10.894
    2    HA   ASP  99           HA       ASP  99  11.642   1.898 -13.172
    3    HB2  ASP  99           HB2      ASP  99  13.962   1.966 -12.010
    4    HB3  ASP  99           HB3      ASP  99  14.194   0.378 -12.732

  No H/Q in entry =           4
  In of MODEL   24
    1    H    MET 100           H        MET 100  11.210  -1.051 -11.840
    2    HA   MET 100           HA       MET 100  11.798  -2.801 -14.012
    3    HB2  MET 100           HB2      MET 100  10.016  -3.226 -11.599
    4    HB3  MET 100           HB3      MET 100  10.633  -4.485 -12.662
    5    HG2  MET 100           HG2      MET 100  12.837  -4.190 -11.916
    6    HG3  MET 100           HG3      MET 100  12.454  -2.647 -11.151
    7    HE1  MET 100           HE1      MET 100  14.089  -5.080  -9.783
    8    HE2  MET 100           HE2      MET 100  13.802  -3.532  -8.990
    9    HE3  MET 100           HE3      MET 100  13.408  -5.035  -8.156

  No H/Q in entry =           9
  In of MODEL   25
    1    HA   ILE   2           HA       ILE   2 -22.232  -7.147  -5.908
    2    HB   ILE   2           HB       ILE   2 -22.339  -7.851  -3.473
    3   HG12  ILE   2          HG12      ILE   2 -22.558 -10.463  -3.319
    4   HG13  ILE   2          HG13      ILE   2 -21.490 -10.449  -4.715
    5   HG21  ILE   2          HG21      ILE   2 -24.299  -7.772  -4.902
    6   HG22  ILE   2          HG22      ILE   2 -23.976  -9.413  -5.460
    7   HG23  ILE   2          HG23      ILE   2 -24.402  -9.124  -3.774
    8   HD11  ILE   2          HD11      ILE   2 -19.827  -9.214  -3.424
    9   HD12  ILE   2          HD12      ILE   2 -20.899  -9.241  -2.024
   10   HD13  ILE   2          HD13      ILE   2 -20.243 -10.750  -2.662

  No H/Q in entry =          10
  In of MODEL   25
    1    H    GLN   3           H        GLN   3 -21.195  -5.700  -4.519
    2    HA   GLN   3           HA       GLN   3 -19.455  -4.597  -3.522
    3    HB2  GLN   3           HB2      GLN   3 -19.172  -7.077  -2.521
    4    HB3  GLN   3           HB3      GLN   3 -17.703  -7.020  -3.478
    5    HG2  GLN   3           HG2      GLN   3 -17.109  -6.362  -1.281
    6    HG3  GLN   3           HG3      GLN   3 -17.118  -4.893  -2.270
    7   HE21  GLN   3          HE21      GLN   3 -18.775  -3.380  -1.981
    8   HE22  GLN   3          HE22      GLN   3 -19.771  -3.369  -0.566

  No H/Q in entry =           8
  In of MODEL   25
    1    H    ARG   4           H        ARG   4 -16.925  -4.288  -3.901
    2    HA   ARG   4           HA       ARG   4 -16.265  -4.835  -6.712
    3    HB2  ARG   4           HB2      ARG   4 -16.752  -2.536  -6.797
    4    HB3  ARG   4           HB3      ARG   4 -16.052  -2.262  -5.197
    5    HG2  ARG   4           HG2      ARG   4 -13.977  -1.933  -6.028
    6    HG3  ARG   4           HG3      ARG   4 -14.119  -3.307  -7.102
    7    HD2  ARG   4           HD2      ARG   4 -15.308  -0.594  -7.756
    8    HD3  ARG   4           HD3      ARG   4 -13.737  -1.165  -8.302
    9    HE   ARG   4           HE       ARG   4 -16.192  -2.655  -8.952
   10   HH11  ARG   4          HH11      ARG   4 -13.310  -0.925  -9.951
   11   HH12  ARG   4          HH12      ARG   4 -13.458  -1.380 -11.616
   12   HH21  ARG   4          HH21      ARG   4 -16.387  -3.265 -11.141
   13   HH22  ARG   4          HH22      ARG   4 -15.228  -2.682 -12.306

  No H/Q in entry =          13
  In of MODEL   25
    1    H    THR   5           H        THR   5 -14.177  -5.448  -7.098
    2    HA   THR   5           HA       THR   5 -12.689  -6.382  -4.849
    3    HB   THR   5           HB       THR   5 -11.073  -7.228  -6.438
    4    HG1  THR   5           HG1      THR   5 -11.460  -5.131  -7.791
    5   HG21  THR   5          HG21      THR   5 -13.932  -7.507  -7.318
    6   HG22  THR   5          HG22      THR   5 -12.622  -8.356  -8.132
    7   HG23  THR   5          HG23      THR   5 -12.926  -8.652  -6.427

  No H/Q in entry =           7
  In of MODEL   25
    1    HA   PRO   6           HA       PRO   6 -10.628  -2.415  -4.311
    2    HB2  PRO   6           HB2      PRO   6  -9.005  -3.830  -2.315
    3    HB3  PRO   6           HB3      PRO   6 -10.083  -2.448  -2.099
    4    HG2  PRO   6           HG2      PRO   6 -10.664  -4.924  -1.156
    5    HG3  PRO   6           HG3      PRO   6 -11.919  -3.768  -1.669
    6    HD2  PRO   6           HD2      PRO   6 -10.820  -6.162  -3.111
    7    HD3  PRO   6           HD3      PRO   6 -12.480  -5.520  -3.069

  No H/Q in entry =           7
  In of MODEL   25
    1    H    LYS   7           H        LYS   7  -8.961  -1.769  -5.551
    2    HA   LYS   7           HA       LYS   7  -7.207  -3.884  -6.546
    3    HB2  LYS   7           HB2      LYS   7  -8.515  -2.621  -8.222
    4    HB3  LYS   7           HB3      LYS   7  -7.760  -1.126  -7.686
    5    HG2  LYS   7           HG2      LYS   7  -5.609  -1.879  -8.446
    6    HG3  LYS   7           HG3      LYS   7  -6.269  -3.461  -8.857
    7    HD2  LYS   7           HD2      LYS   7  -7.710  -2.419 -10.543
    8    HD3  LYS   7           HD3      LYS   7  -7.037  -0.839 -10.130
    9    HE2  LYS   7           HE2      LYS   7  -5.987  -1.794 -12.135
   10    HE3  LYS   7           HE3      LYS   7  -4.831  -1.562 -10.825
   11    HZ1  LYS   7           HZ1      LYS   7  -5.127  -3.948 -10.277
   12    HZ2  LYS   7           HZ2      LYS   7  -6.078  -4.123 -11.672
   13    HZ3  LYS   7           HZ3      LYS   7  -4.446  -3.682 -11.802

  No H/Q in entry =          13
  In of MODEL   25
    1    H    ILE   8           H        ILE   8  -4.971  -3.546  -6.745
    2    HA   ILE   8           HA       ILE   8  -3.994  -2.055  -4.433
    3    HB   ILE   8           HB       ILE   8  -2.266  -3.865  -6.072
    4   HG12  ILE   8          HG12      ILE   8  -4.216  -5.230  -5.717
    5   HG13  ILE   8          HG13      ILE   8  -2.971  -5.744  -4.589
    6   HG21  ILE   8          HG21      ILE   8  -1.250  -2.543  -4.304
    7   HG22  ILE   8          HG22      ILE   8  -2.385  -3.212  -3.133
    8   HG23  ILE   8          HG23      ILE   8  -1.198  -4.260  -3.908
    9   HD11  ILE   8          HD11      ILE   8  -4.067  -4.483  -2.814
   10   HD12  ILE   8          HD12      ILE   8  -5.325  -3.994  -3.950
   11   HD13  ILE   8          HD13      ILE   8  -5.132  -5.697  -3.527

  No H/Q in entry =          11
  In of MODEL   25
    1    H    GLN   9           H        GLN   9  -3.228  -0.107  -4.777
    2    HA   GLN   9           HA       GLN   9  -1.420   0.219  -7.065
    3    HB2  GLN   9           HB2      GLN   9  -3.149   2.291  -5.712
    4    HB3  GLN   9           HB3      GLN   9  -1.937   2.659  -6.946
    5    HG2  GLN   9           HG2      GLN   9  -3.175   1.381  -8.574
    6    HG3  GLN   9           HG3      GLN   9  -4.330   0.871  -7.343
    7   HE21  GLN   9          HE21      GLN   9  -5.798   2.368  -6.521
    8   HE22  GLN   9          HE22      GLN   9  -6.176   3.843  -7.356

  No H/Q in entry =           8
  In of MODEL   25
    1    H    VAL  10           H        VAL  10   0.593   0.259  -6.417
    2    HA   VAL  10           HA       VAL  10   1.275   1.582  -3.888
    3    HB   VAL  10           HB       VAL  10   1.342  -0.656  -3.150
    4   HG11  VAL  10          HG11      VAL  10   1.106  -1.703  -5.368
    5   HG12  VAL  10          HG12      VAL  10   2.835  -1.463  -5.633
    6   HG13  VAL  10          HG13      VAL  10   2.279  -2.517  -4.329
    7   HG21  VAL  10          HG21      VAL  10   4.106   0.164  -4.010
    8   HG22  VAL  10          HG22      VAL  10   3.328   0.430  -2.448
    9   HG23  VAL  10          HG23      VAL  10   3.785  -1.204  -2.940

  No H/Q in entry =           9
  In of MODEL   25
    1    H    TYR  11           H        TYR  11   2.837   2.963  -4.103
    2    HA   TYR  11           HA       TYR  11   4.897   2.682  -6.083
    3    HB2  TYR  11           HB2      TYR  11   4.370   4.821  -7.230
    4    HB3  TYR  11           HB3      TYR  11   3.132   3.601  -7.492
    5    HD1  TYR  11           HD1      TYR  11   0.902   3.901  -6.669
    6    HD2  TYR  11           HD2      TYR  11   3.913   6.772  -5.785
    7    HE1  TYR  11           HE1      TYR  11  -0.825   5.470  -5.899
    8    HE2  TYR  11           HE2      TYR  11   2.192   8.350  -5.014
    9    HH   TYR  11           HH       TYR  11  -0.996   7.414  -4.394

  No H/Q in entry =           9
  In of MODEL   25
    1    H    SER  12           H        SER  12   6.372   4.609  -5.973
    2    HA   SER  12           HA       SER  12   6.697   5.303  -3.171
    3    HB2  SER  12           HB2      SER  12   8.602   4.459  -4.539
    4    HB3  SER  12           HB3      SER  12   8.469   5.890  -5.550
    5    HG   SER  12           HG       SER  12   9.486   6.995  -4.106

  No H/Q in entry =           5
  In of MODEL   25
    1    H    ARG  13           H        ARG  13   6.425   7.335  -2.360
    2    HA   ARG  13           HA       ARG  13   4.648   9.046  -3.751
    3    HB2  ARG  13           HB2      ARG  13   5.008   8.774  -1.199
    4    HB3  ARG  13           HB3      ARG  13   6.379   9.843  -1.394
    5    HG2  ARG  13           HG2      ARG  13   3.558  10.650  -2.101
    6    HG3  ARG  13           HG3      ARG  13   4.298  10.903  -0.528
    7    HD2  ARG  13           HD2      ARG  13   5.373  11.972  -3.128
    8    HD3  ARG  13           HD3      ARG  13   4.427  12.888  -1.964
    9    HE   ARG  13           HE       ARG  13   7.207  12.175  -1.772
   10   HH11  ARG  13          HH11      ARG  13   4.359  13.177   0.009
   11   HH12  ARG  13          HH12      ARG  13   5.264  13.822   1.345
   12   HH21  ARG  13          HH21      ARG  13   8.402  13.054  -0.048
   13   HH22  ARG  13          HH22      ARG  13   7.574  13.774   1.301

  No H/Q in entry =          13
  In of MODEL   25
    1    H    HIS  14           H        HIS  14   8.078   9.318  -3.011
    2    HA   HIS  14           HA       HIS  14   8.326  11.206  -5.242
    3    HB2  HIS  14           HB2      HIS  14   9.648  11.184  -2.561
    4    HB3  HIS  14           HB3      HIS  14  10.559  11.826  -3.925
    5    HD2  HIS  14           HD2      HIS  14   7.444  13.086  -5.052
    6    HE1  HIS  14           HE1      HIS  14   8.332  15.702  -1.852
    7    HE2  HIS  14           HE2      HIS  14   7.041  15.419  -4.011

  No H/Q in entry =           7
  In of MODEL   25
    1    HA   PRO  15           HA       PRO  15  11.213   8.582  -7.351
    2    HB2  PRO  15           HB2      PRO  15  13.758   9.700  -7.080
    3    HB3  PRO  15           HB3      PRO  15  12.584  10.088  -8.351
    4    HG2  PRO  15           HG2      PRO  15  13.202  11.586  -5.809
    5    HG3  PRO  15           HG3      PRO  15  12.766  12.216  -7.432
    6    HD2  PRO  15           HD2      PRO  15  10.975  12.149  -5.413
    7    HD3  PRO  15           HD3      PRO  15  10.491  11.834  -7.106

  No H/Q in entry =           7
  In of MODEL   25
    1    H    ALA  16           H        ALA  16  12.456   6.788  -7.010
    2    HA   ALA  16           HA       ALA  16  12.977   6.129  -4.237
    3    HB1  ALA  16           HB1      ALA  16  11.836   4.498  -5.628
    4    HB2  ALA  16           HB2      ALA  16  13.212   4.452  -6.732
    5    HB3  ALA  16           HB3      ALA  16  13.387   3.859  -5.082

  No H/Q in entry =           5
  In of MODEL   25
    1    H    GLU  17           H        GLU  17  14.902   6.602  -3.361
    2    HA   GLU  17           HA       GLU  17  17.285   6.227  -5.034
    3    HB2  GLU  17           HB2      GLU  17  16.777   8.610  -4.407
    4    HB3  GLU  17           HB3      GLU  17  17.021   8.157  -2.722
    5    HG2  GLU  17           HG2      GLU  17  19.020   9.192  -3.627
    6    HG3  GLU  17           HG3      GLU  17  19.319   7.496  -3.239

  No H/Q in entry =           6
  In of MODEL   25
    1    H    ASN  18           H        ASN  18  18.526   4.648  -4.393
    2    HA   ASN  18           HA       ASN  18  18.081   3.223  -1.958
    3    HB2  ASN  18           HB2      ASN  18  18.760   1.808  -3.648
    4    HB3  ASN  18           HB3      ASN  18  19.948   2.948  -4.283
    5   HD21  ASN  18          HD21      ASN  18  21.676   1.587  -4.329
    6   HD22  ASN  18          HD22      ASN  18  22.392   0.897  -2.909

  No H/Q in entry =           6
  In of MODEL   25
    1    H    GLY  19           H        GLY  19  19.055   3.368  -0.066
    2    HA2  GLY  19           HA2      GLY  19  21.602   4.721   0.259
    3    HA3  GLY  19           HA3      GLY  19  20.634   3.965   1.535

  No H/Q in entry =           3
  In of MODEL   25
    1    H    LYS  20           H        LYS  20  18.299   5.482   0.273
    2    HA   LYS  20           HA       LYS  20  18.767   8.051   1.613
    3    HB2  LYS  20           HB2      LYS  20  19.051   8.008  -0.952
    4    HB3  LYS  20           HB3      LYS  20  17.318   7.758  -1.006
    5    HG2  LYS  20           HG2      LYS  20  17.713  10.054  -1.343
    6    HG3  LYS  20           HG3      LYS  20  17.038   9.872   0.280
    7    HD2  LYS  20           HD2      LYS  20  19.225  10.132   1.266
    8    HD3  LYS  20           HD3      LYS  20  19.983  10.132  -0.326
    9    HE2  LYS  20           HE2      LYS  20  18.024  12.202   0.667
   10    HE3  LYS  20           HE3      LYS  20  19.776  12.400   0.627
   11    HZ1  LYS  20           HZ1      LYS  20  19.668  12.047  -1.801
   12    HZ2  LYS  20           HZ2      LYS  20  17.976  12.031  -1.710
   13    HZ3  LYS  20           HZ3      LYS  20  18.835  13.436  -1.294

  No H/Q in entry =          13
  In of MODEL   25
    1    H    SER  21           H        SER  21  16.918   8.933   2.522
    2    HA   SER  21           HA       SER  21  14.864   6.997   3.118
    3    HB2  SER  21           HB2      SER  21  15.347   9.812   4.083
    4    HB3  SER  21           HB3      SER  21  14.073   8.753   4.694
    5    HG   SER  21           HG       SER  21  16.048   7.256   4.991

  No H/Q in entry =           5
  In of MODEL   25
    1    H    ASN  22           H        ASN  22  12.688   7.234   2.723
    2    HA   ASN  22           HA       ASN  22  11.674   9.429   1.127
    3    HB2  ASN  22           HB2      ASN  22  12.888   7.572  -0.384
    4    HB3  ASN  22           HB3      ASN  22  11.353   6.741  -0.155
    5   HD21  ASN  22          HD21      ASN  22  10.910   6.918  -2.348
    6   HD22  ASN  22          HD22      ASN  22  10.410   8.410  -3.060

  No H/Q in entry =           6
  In of MODEL   25
    1    H    PHE  23           H        PHE  23   9.286   8.481   0.251
    2    HA   PHE  23           HA       PHE  23   8.079   7.278   2.651
    3    HB2  PHE  23           HB2      PHE  23   7.062   9.525   0.907
    4    HB3  PHE  23           HB3      PHE  23   6.025   8.641   2.013
    5    HD1  PHE  23           HD1      PHE  23   9.235  10.539   1.996
    6    HD2  PHE  23           HD2      PHE  23   5.688   9.500   4.087
    7    HE1  PHE  23           HE1      PHE  23   9.839  12.111   3.791
    8    HE2  PHE  23           HE2      PHE  23   6.276  11.065   5.887
    9    HZ   PHE  23           HZ       PHE  23   8.359  12.367   5.744

  No H/Q in entry =           9
  In of MODEL   25
    1    H    LEU  24           H        LEU  24   6.792   5.545   2.270
    2    HA   LEU  24           HA       LEU  24   6.357   4.712  -0.511
    3    HB2  LEU  24           HB2      LEU  24   7.007   3.331   1.773
    4    HB3  LEU  24           HB3      LEU  24   5.291   3.012   1.632
    5    HG   LEU  24           HG       LEU  24   7.461   2.309  -0.370
    6   HD11  LEU  24          HD11      LEU  24   5.623   0.631   1.336
    7   HD12  LEU  24          HD12      LEU  24   6.756   0.012   0.131
    8   HD13  LEU  24          HD13      LEU  24   7.359   0.853   1.561
    9   HD21  LEU  24          HD21      LEU  24   4.468   1.971  -0.608
   10   HD22  LEU  24          HD22      LEU  24   5.524   2.909  -1.663
   11   HD23  LEU  24          HD23      LEU  24   5.653   1.152  -1.626

  No H/Q in entry =          11
  In of MODEL   25
    1    H    ASN  25           H        ASN  25   4.220   4.090  -1.189
    2    HA   ASN  25           HA       ASN  25   2.033   5.077   0.474
    3    HB2  ASN  25           HB2      ASN  25   2.527   6.983  -0.908
    4    HB3  ASN  25           HB3      ASN  25   2.606   5.986  -2.359
    5   HD21  ASN  25          HD21      ASN  25   0.604   7.663  -0.137
    6   HD22  ASN  25          HD22      ASN  25  -0.892   7.432  -0.972

  No H/Q in entry =           6
  In of MODEL   25
    1    H    CYS  26           H        CYS  26   0.416   3.687   0.505
    2    HA   CYS  26           HA       CYS  26   0.030   1.865  -1.777
    3    HB2  CYS  26           HB2      CYS  26   1.012   0.932   0.479
    4    HB3  CYS  26           HB3      CYS  26  -0.662   1.048   1.016

  No H/Q in entry =           4
  In of MODEL   25
    1    H    TYR  27           H        TYR  27  -1.906   2.155  -2.667
    2    HA   TYR  27           HA       TYR  27  -3.933   3.636  -1.106
    3    HB2  TYR  27           HB2      TYR  27  -2.723   4.177  -3.684
    4    HB3  TYR  27           HB3      TYR  27  -4.461   3.989  -3.846
    5    HD1  TYR  27           HD1      TYR  27  -1.808   6.215  -2.970
    6    HD2  TYR  27           HD2      TYR  27  -5.959   5.486  -2.333
    7    HE1  TYR  27           HE1      TYR  27  -2.117   8.558  -2.333
    8    HE2  TYR  27           HE2      TYR  27  -6.261   7.840  -1.683
    9    HH   TYR  27           HH       TYR  27  -3.826  10.209  -2.178

  No H/Q in entry =           9
  In of MODEL   25
    1    H    VAL  28           H        VAL  28  -5.285   2.030  -0.488
    2    HA   VAL  28           HA       VAL  28  -6.347   0.299  -2.620
    3    HB   VAL  28           HB       VAL  28  -6.883  -0.212   0.288
    4   HG11  VAL  28          HG11      VAL  28  -6.668  -1.944  -2.165
    5   HG12  VAL  28          HG12      VAL  28  -6.981  -2.544  -0.534
    6   HG13  VAL  28          HG13      VAL  28  -8.143  -1.478  -1.321
    7   HG21  VAL  28          HG21      VAL  28  -4.384  -1.000  -1.197
    8   HG22  VAL  28          HG22      VAL  28  -4.497  -0.048   0.287
    9   HG23  VAL  28          HG23      VAL  28  -4.926  -1.763   0.303

  No H/Q in entry =           9
  In of MODEL   25
    1    H    SER  29           H        SER  29  -8.094   1.264  -3.468
    2    HA   SER  29           HA       SER  29 -10.214   2.148  -1.679
    3    HB2  SER  29           HB2      SER  29  -8.807   4.147  -2.051
    4    HB3  SER  29           HB3      SER  29  -9.025   3.968  -3.791
    5    HG   SER  29           HG       SER  29 -10.795   4.910  -1.858

  No H/Q in entry =           5
  In of MODEL   25
    1    H    GLY  30           H        GLY  30 -12.056   3.113  -3.251
    2    HA2  GLY  30           HA2      GLY  30 -12.316   1.601  -5.708
    3    HA3  GLY  30           HA3      GLY  30 -13.485   2.738  -5.049

  No H/Q in entry =           3
  In of MODEL   25
    1    H    PHE  31           H        PHE  31 -13.246   1.292  -2.405
    2    HA   PHE  31           HA       PHE  31 -14.850  -1.070  -3.100
    3    HB2  PHE  31           HB2      PHE  31 -13.758  -2.332  -1.329
    4    HB3  PHE  31           HB3      PHE  31 -12.514  -1.661  -2.405
    5    HD1  PHE  31           HD1      PHE  31 -13.909  -1.662   0.937
    6    HD2  PHE  31           HD2      PHE  31 -11.179   0.287  -1.671
    7    HE1  PHE  31           HE1      PHE  31 -12.850  -0.568   2.870
    8    HE2  PHE  31           HE2      PHE  31 -10.124   1.389   0.254
    9    HZ   PHE  31           HZ       PHE  31 -10.961   0.964   2.524

  No H/Q in entry =           9
  In of MODEL   25
    1    H    HIS  32           H        HIS  32 -15.910  -1.944  -1.005
    2    HA   HIS  32           HA       HIS  32 -16.464  -0.048   1.079
    3    HB2  HIS  32           HB2      HIS  32 -18.778  -0.955  -0.703
    4    HB3  HIS  32           HB3      HIS  32 -18.974  -0.232   0.882
    5    HD2  HIS  32           HD2      HIS  32 -18.043   2.507   1.025
    6    HE1  HIS  32           HE1      HIS  32 -18.597   3.045  -3.138
    7    HE2  HIS  32           HE2      HIS  32 -18.340   4.229  -0.907

  No H/Q in entry =           7
  In of MODEL   25
    1    HA   PRO  33           HA       PRO  33 -18.436  -0.237   2.899
    2    HB2  PRO  33           HB2      PRO  33 -17.338  -1.387   5.386
    3    HB3  PRO  33           HB3      PRO  33 -18.974  -0.824   5.035
    4    HG2  PRO  33           HG2      PRO  33 -18.442  -3.424   5.289
    5    HG3  PRO  33           HG3      PRO  33 -19.604  -2.837   4.083
    6    HD2  PRO  33           HD2      PRO  33 -16.750  -3.680   3.709
    7    HD3  PRO  33           HD3      PRO  33 -18.173  -4.059   2.716

  No H/Q in entry =           7
  In of MODEL   25
    1    H    SER  34           H        SER  34 -17.364   1.250   4.627
    2    HA   SER  34           HA       SER  34 -14.839   2.078   3.591
    3    HB2  SER  34           HB2      SER  34 -16.183   3.060   6.118
    4    HB3  SER  34           HB3      SER  34 -14.972   3.917   5.157
    5    HG   SER  34           HG       SER  34 -17.152   4.598   4.751

  No H/Q in entry =           5
  In of MODEL   25
    1    H    ASP  35           H        ASP  35 -14.249  -0.413   4.364
    2    HA   ASP  35           HA       ASP  35 -12.086   0.057   6.185
    3    HB2  ASP  35           HB2      ASP  35 -13.414  -0.384   7.989
    4    HB3  ASP  35           HB3      ASP  35 -14.463  -1.494   7.109

  No H/Q in entry =           4
  In of MODEL   25
    1    H    ILE  36           H        ILE  36 -10.448  -0.981   5.517
    2    HA   ILE  36           HA       ILE  36 -10.600  -3.791   4.721
    3    HB   ILE  36           HB       ILE  36 -10.608  -2.289   2.608
    4   HG12  ILE  36          HG12      ILE  36  -8.688  -4.531   3.179
    5   HG13  ILE  36          HG13      ILE  36 -10.156  -4.553   2.210
    6   HG21  ILE  36          HG21      ILE  36  -7.749  -1.940   3.508
    7   HG22  ILE  36          HG22      ILE  36  -8.360  -1.512   1.910
    8   HG23  ILE  36          HG23      ILE  36  -8.950  -0.658   3.333
    9   HD11  ILE  36          HD11      ILE  36  -7.587  -3.190   1.422
   10   HD12  ILE  36          HD12      ILE  36  -8.116  -4.776   0.858
   11   HD13  ILE  36          HD13      ILE  36  -9.041  -3.336   0.435

  No H/Q in entry =          11
  In of MODEL   25
    1    H    GLU  37           H        GLU  37  -8.540  -4.901   5.064
    2    HA   GLU  37           HA       GLU  37  -6.608  -3.325   6.595
    3    HB2  GLU  37           HB2      GLU  37  -7.681  -5.399   7.622
    4    HB3  GLU  37           HB3      GLU  37  -6.830  -6.318   6.391
    5    HG2  GLU  37           HG2      GLU  37  -5.482  -6.488   8.304
    6    HG3  GLU  37           HG3      GLU  37  -4.691  -5.274   7.296

  No H/Q in entry =           6
  In of MODEL   25
    1    H    VAL  38           H        VAL  38  -4.815  -2.835   5.579
    2    HA   VAL  38           HA       VAL  38  -3.737  -4.685   3.599
    3    HB   VAL  38           HB       VAL  38  -4.205  -3.266   1.943
    4   HG11  VAL  38          HG11      VAL  38  -4.604  -1.103   3.983
    5   HG12  VAL  38          HG12      VAL  38  -4.930  -0.938   2.257
    6   HG13  VAL  38          HG13      VAL  38  -5.839  -2.104   3.217
    7   HG21  VAL  38          HG21      VAL  38  -2.084  -1.540   3.229
    8   HG22  VAL  38          HG22      VAL  38  -1.829  -2.812   2.041
    9   HG23  VAL  38          HG23      VAL  38  -2.682  -1.337   1.579

  No H/Q in entry =           9
  In of MODEL   25
    1    H    ASP  39           H        ASP  39  -1.554  -4.817   3.537
    2    HA   ASP  39           HA       ASP  39  -0.076  -3.399   5.650
    3    HB2  ASP  39           HB2      ASP  39   0.287  -5.263   6.855
    4    HB3  ASP  39           HB3      ASP  39  -0.876  -6.081   5.822

  No H/Q in entry =           4
  In of MODEL   25
    1    H    LEU  40           H        LEU  40   2.223  -3.385   5.365
    2    HA   LEU  40           HA       LEU  40   2.964  -3.634   2.533
    3    HB2  LEU  40           HB2      LEU  40   4.473  -2.018   4.569
    4    HB3  LEU  40           HB3      LEU  40   4.557  -1.919   2.821
    5    HG   LEU  40           HG       LEU  40   2.239  -1.025   4.532
    6   HD11  LEU  40          HD11      LEU  40   4.307   0.538   2.989
    7   HD12  LEU  40          HD12      LEU  40   2.900   1.229   3.802
    8   HD13  LEU  40          HD13      LEU  40   4.163   0.435   4.748
    9   HD21  LEU  40          HD21      LEU  40   2.640  -0.936   1.551
   10   HD22  LEU  40          HD22      LEU  40   1.367  -1.775   2.442
   11   HD23  LEU  40          HD23      LEU  40   1.414  -0.008   2.419

  No H/Q in entry =          11
  In of MODEL   25
    1    H    LEU  41           H        LEU  41   4.702  -4.801   1.962
    2    HA   LEU  41           HA       LEU  41   5.864  -6.476   4.078
    3    HB2  LEU  41           HB2      LEU  41   5.650  -7.222   1.187
    4    HB3  LEU  41           HB3      LEU  41   6.049  -8.253   2.524
    5    HG   LEU  41           HG       LEU  41   3.348  -6.981   2.166
    6   HD11  LEU  41          HD11      LEU  41   3.898  -8.513   0.316
    7   HD12  LEU  41          HD12      LEU  41   4.219  -9.786   1.494
    8   HD13  LEU  41          HD13      LEU  41   2.590  -9.123   1.330
    9   HD21  LEU  41          HD21      LEU  41   3.928  -7.599   4.461
   10   HD22  LEU  41          HD22      LEU  41   2.652  -8.634   3.818
   11   HD23  LEU  41          HD23      LEU  41   4.307  -9.234   3.926

  No H/Q in entry =          11
  In of MODEL   25
    1    H    LYS  42           H        LYS  42   7.765  -7.656   3.072
    2    HA   LYS  42           HA       LYS  42   9.618  -6.021   1.615
    3    HB2  LYS  42           HB2      LYS  42   9.942  -6.434   4.550
    4    HB3  LYS  42           HB3      LYS  42  11.381  -6.417   3.529
    5    HG2  LYS  42           HG2      LYS  42  10.732  -4.236   2.647
    6    HG3  LYS  42           HG3      LYS  42   9.312  -4.228   3.693
    7    HD2  LYS  42           HD2      LYS  42  12.223  -4.201   4.522
    8    HD3  LYS  42           HD3      LYS  42  11.062  -2.886   4.684
    9    HE2  LYS  42           HE2      LYS  42   9.760  -4.260   6.255
   10    HE3  LYS  42           HE3      LYS  42  10.968  -5.535   6.116
   11    HZ1  LYS  42           HZ1      LYS  42  12.625  -3.919   6.945
   12    HZ2  LYS  42           HZ2      LYS  42  11.374  -2.807   7.214
   13    HZ3  LYS  42           HZ3      LYS  42  11.411  -4.272   8.075

  No H/Q in entry =          13
  In of MODEL   25
    1    H    ASN  43           H        ASN  43   9.973  -7.502   0.154
    2    HA   ASN  43           HA       ASN  43  10.543  -9.405  -0.892
    3    HB2  ASN  43           HB2      ASN  43  12.058  -9.814   1.674
    4    HB3  ASN  43           HB3      ASN  43  12.154 -10.964   0.347
    5   HD21  ASN  43          HD21      ASN  43  12.949  -7.757   1.443
    6   HD22  ASN  43          HD22      ASN  43  14.064  -7.377   0.179

  No H/Q in entry =           6
  In of MODEL   25
    1    H    GLY  44           H        GLY  44   8.779  -9.591   2.018
    2    HA2  GLY  44           HA2      GLY  44   8.040 -12.372   1.699
    3    HA3  GLY  44           HA3      GLY  44   6.809 -11.214   1.194

  No H/Q in entry =           3
  In of MODEL   25
    1    H    GLU  45           H        GLU  45   8.465  -9.730   3.613
    2    HA   GLU  45           HA       GLU  45   6.961 -11.035   5.778
    3    HB2  GLU  45           HB2      GLU  45   9.421  -9.318   5.899
    4    HB3  GLU  45           HB3      GLU  45   8.761 -10.297   7.204
    5    HG2  GLU  45           HG2      GLU  45   9.739 -11.434   4.614
    6    HG3  GLU  45           HG3      GLU  45  10.772 -11.179   5.998

  No H/Q in entry =           6
  In of MODEL   25
    1    H    ARG  46           H        ARG  46   5.854  -9.741   7.286
    2    HA   ARG  46           HA       ARG  46   4.818  -7.318   6.278
    3    HB2  ARG  46           HB2      ARG  46   3.520  -8.804   7.746
    4    HB3  ARG  46           HB3      ARG  46   4.638  -8.469   9.070
    5    HG2  ARG  46           HG2      ARG  46   3.997  -6.144   9.094
    6    HG3  ARG  46           HG3      ARG  46   2.988  -6.361   7.673
    7    HD2  ARG  46           HD2      ARG  46   1.382  -7.627   8.891
    8    HD3  ARG  46           HD3      ARG  46   2.477  -7.786  10.277
    9    HE   ARG  46           HE       ARG  46   2.123  -5.077   9.870
   10   HH11  ARG  46          HH11      ARG  46   0.061  -7.805  10.650
   11   HH12  ARG  46          HH12      ARG  46  -1.091  -6.832  11.512
   12   HH21  ARG  46          HH21      ARG  46   0.617  -3.813  11.023
   13   HH22  ARG  46          HH22      ARG  46  -0.778  -4.579  11.733

  No H/Q in entry =          13
  In of MODEL   25
    1    H    ILE  47           H        ILE  47   5.244  -5.255   6.739
    2    HA   ILE  47           HA       ILE  47   7.589  -4.599   8.339
    3    HB   ILE  47           HB       ILE  47   5.764  -2.809   6.716
    4   HG12  ILE  47          HG12      ILE  47   8.518  -3.812   6.044
    5   HG13  ILE  47          HG13      ILE  47   7.042  -4.531   5.411
    6   HG21  ILE  47          HG21      ILE  47   6.956  -1.652   8.534
    7   HG22  ILE  47          HG22      ILE  47   8.486  -2.259   7.903
    8   HG23  ILE  47          HG23      ILE  47   7.520  -1.139   6.942
    9   HD11  ILE  47          HD11      ILE  47   7.914  -1.686   4.978
   10   HD12  ILE  47          HD12      ILE  47   8.088  -3.004   3.819
   11   HD13  ILE  47          HD13      ILE  47   6.482  -2.456   4.299

  No H/Q in entry =          11
  In of MODEL   25
    1    H    GLU  48           H        GLU  48   7.436  -3.542  10.294
    2    HA   GLU  48           HA       GLU  48   4.769  -3.630  11.438
    3    HB2  GLU  48           HB2      GLU  48   6.297  -3.109  13.573
    4    HB3  GLU  48           HB3      GLU  48   6.005  -4.722  12.981
    5    HG2  GLU  48           HG2      GLU  48   8.253  -4.655  13.374
    6    HG3  GLU  48           HG3      GLU  48   8.128  -4.348  11.660

  No H/Q in entry =           6
  In of MODEL   25
    1    H    LYS  49           H        LYS  49   7.365  -1.262  10.931
    2    HA   LYS  49           HA       LYS  49   6.036   0.771  12.311
    3    HB2  LYS  49           HB2      LYS  49   8.160   1.034  10.223
    4    HB3  LYS  49           HB3      LYS  49   7.738   2.231  11.458
    5    HG2  LYS  49           HG2      LYS  49   8.160   0.345  13.136
    6    HG3  LYS  49           HG3      LYS  49   8.992  -0.451  11.832
    7    HD2  LYS  49           HD2      LYS  49  10.443   1.634  11.634
    8    HD3  LYS  49           HD3      LYS  49   9.706   2.161  13.146
    9    HE2  LYS  49           HE2      LYS  49  11.851   1.090  13.558
   10    HE3  LYS  49           HE3      LYS  49  10.551   0.124  14.251
   11    HZ1  LYS  49           HZ1      LYS  49  10.639  -1.307  12.299
   12    HZ2  LYS  49           HZ2      LYS  49  11.919  -0.384  11.668
   13    HZ3  LYS  49           HZ3      LYS  49  12.136  -1.261  13.104

  No H/Q in entry =          13
  In of MODEL   25
    1    H    VAL  50           H        VAL  50   4.956  -0.614   9.600
    2    HA   VAL  50           HA       VAL  50   4.121   1.537   8.006
    3    HB   VAL  50           HB       VAL  50   2.679  -1.062   8.552
    4   HG11  VAL  50          HG11      VAL  50   1.176   0.663   7.649
    5   HG12  VAL  50          HG12      VAL  50   2.304   0.939   6.316
    6   HG13  VAL  50          HG13      VAL  50   1.478  -0.614   6.463
    7   HG21  VAL  50          HG21      VAL  50   4.572  -0.252   6.352
    8   HG22  VAL  50          HG22      VAL  50   4.892  -1.414   7.639
    9   HG23  VAL  50          HG23      VAL  50   3.673  -1.765   6.416

  No H/Q in entry =           9
  In of MODEL   25
    1    H    GLU  51           H        GLU  51   2.562   3.010   8.220
    2    HA   GLU  51           HA       GLU  51   0.708   2.702  10.469
    3    HB2  GLU  51           HB2      GLU  51   1.910   5.335   9.607
    4    HB3  GLU  51           HB3      GLU  51   0.844   5.040  10.978
    5    HG2  GLU  51           HG2      GLU  51   2.539   3.800  12.108
    6    HG3  GLU  51           HG3      GLU  51   3.610   3.905  10.710

  No H/Q in entry =           6
  In of MODEL   25
    1    H    HIS  52           H        HIS  52  -1.290   3.384  10.138
    2    HA   HIS  52           HA       HIS  52  -1.966   4.385   7.442
    3    HB2  HIS  52           HB2      HIS  52  -3.230   2.402   7.704
    4    HB3  HIS  52           HB3      HIS  52  -3.688   2.790   9.344
    5    HD2  HIS  52           HD2      HIS  52  -4.452   4.385   5.832
    6    HE1  HIS  52           HE1      HIS  52  -7.829   4.650   8.369
    7    HE2  HIS  52           HE2      HIS  52  -6.826   5.379   6.160

  No H/Q in entry =           7
  In of MODEL   25
    1    H    SER  53           H        SER  53  -2.583   6.350   7.252
    2    HA   SER  53           HA       SER  53  -2.581   8.053   9.582
    3    HB2  SER  53           HB2      SER  53  -1.657   8.683   7.300
    4    HB3  SER  53           HB3      SER  53  -3.326   8.860   6.760
    5    HG   SER  53           HG       SER  53  -2.283  10.240   9.015

  No H/Q in entry =           5
  In of MODEL   25
    1    H    ASP  54           H        ASP  54  -4.497   9.990   8.931
    2    HA   ASP  54           HA       ASP  54  -6.798   9.107  10.197
    3    HB2  ASP  54           HB2      ASP  54  -6.308  11.480   9.902
    4    HB3  ASP  54           HB3      ASP  54  -6.500  11.327   8.159

  No H/Q in entry =           4
  In of MODEL   25
    1    H    LEU  55           H        LEU  55  -8.659   8.146   9.566
    2    HA   LEU  55           HA       LEU  55  -8.723   6.248   7.644
    3    HB2  LEU  55           HB2      LEU  55 -10.446   6.830   9.497
    4    HB3  LEU  55           HB3      LEU  55 -11.241   7.765   8.252
    5    HG   LEU  55           HG       LEU  55 -12.191   5.477   8.640
    6   HD11  LEU  55          HD11      LEU  55 -12.588   6.664   6.550
    7   HD12  LEU  55          HD12      LEU  55 -11.109   5.981   5.877
    8   HD13  LEU  55          HD13      LEU  55 -12.458   4.925   6.292
    9   HD21  LEU  55          HD21      LEU  55  -9.589   4.595   7.404
   10   HD22  LEU  55          HD22      LEU  55 -10.134   4.271   9.051
   11   HD23  LEU  55          HD23      LEU  55 -10.991   3.564   7.682

  No H/Q in entry =          11
  In of MODEL   25
    1    H    SER  56           H        SER  56 -10.821   9.054   7.094
    2    HA   SER  56           HA       SER  56  -9.489  10.210   4.995
    3    HB2  SER  56           HB2      SER  56 -10.938   9.402   3.019
    4    HB3  SER  56           HB3      SER  56  -9.691   8.287   3.588
    5    HG   SER  56           HG       SER  56 -11.185   6.964   4.327

  No H/Q in entry =           5
  In of MODEL   25
    1    H    PHE  57           H        PHE  57 -10.942  11.521   3.573
    2    HA   PHE  57           HA       PHE  57 -13.605  11.972   4.722
    3    HB2  PHE  57           HB2      PHE  57 -12.192  13.856   5.460
    4    HB3  PHE  57           HB3      PHE  57 -11.701  14.163   3.797
    5    HD1  PHE  57           HD1      PHE  57 -14.741  13.980   5.942
    6    HD2  PHE  57           HD2      PHE  57 -12.860  15.701   2.531
    7    HE1  PHE  57           HE1      PHE  57 -16.651  15.505   5.663
    8    HE2  PHE  57           HE2      PHE  57 -14.771  17.230   2.247
    9    HZ   PHE  57           HZ       PHE  57 -16.666  17.131   3.815

  No H/Q in entry =           9
  In of MODEL   25
    1    H    SER  58           H        SER  58 -15.005  11.378   3.214
    2    HA   SER  58           HA       SER  58 -14.345  10.882   0.537
    3    HB2  SER  58           HB2      SER  58 -16.326   9.940   1.832
    4    HB3  SER  58           HB3      SER  58 -17.134  11.483   1.552
    5    HG   SER  58           HG       SER  58 -16.124   9.759  -0.479

  No H/Q in entry =           5
  In of MODEL   25
    1    H    LYS  59           H        LYS  59 -14.960  12.043  -1.385
    2    HA   LYS  59           HA       LYS  59 -15.231  14.925  -0.937
    3    HB2  LYS  59           HB2      LYS  59 -13.258  13.788  -2.925
    4    HB3  LYS  59           HB3      LYS  59 -13.460  15.468  -2.452
    5    HG2  LYS  59           HG2      LYS  59 -12.726  14.779  -0.140
    6    HG3  LYS  59           HG3      LYS  59 -12.279  13.223  -0.844
    7    HD2  LYS  59           HD2      LYS  59 -11.184  15.937  -1.579
    8    HD3  LYS  59           HD3      LYS  59 -10.331  14.638  -0.746
    9    HE2  LYS  59           HE2      LYS  59 -11.385  14.511  -3.571
   10    HE3  LYS  59           HE3      LYS  59  -9.708  14.804  -3.121
   11    HZ1  LYS  59           HZ1      LYS  59  -9.712  12.613  -2.015
   12    HZ2  LYS  59           HZ2      LYS  59 -11.272  12.337  -2.614
   13    HZ3  LYS  59           HZ3      LYS  59  -9.979  12.514  -3.689

  No H/Q in entry =          13
  In of MODEL   25
    1    H    ASP  60           H        ASP  60 -14.549  13.016  -3.857
    2    HA   ASP  60           HA       ASP  60 -17.310  13.515  -4.735
    3    HB2  ASP  60           HB2      ASP  60 -15.715  15.058  -5.856
    4    HB3  ASP  60           HB3      ASP  60 -14.837  13.663  -6.475

  No H/Q in entry =           4
  In of MODEL   25
    1    H    TRP  61           H        TRP  61 -14.490  11.437  -4.716
    2    HA   TRP  61           HA       TRP  61 -16.127   9.293  -5.904
    3    HB2  TRP  61           HB2      TRP  61 -13.219   9.949  -6.289
    4    HB3  TRP  61           HB3      TRP  61 -13.827   8.321  -6.572
    5    HD1  TRP  61           HD1      TRP  61 -13.765  11.790  -8.101
    6    HE1  TRP  61           HE1      TRP  61 -14.801  11.683 -10.456
    7    HE3  TRP  61           HE3      TRP  61 -15.625   7.032  -7.944
    8    HZ2  TRP  61           HZ2      TRP  61 -16.217   9.825 -12.031
    9    HZ3  TRP  61           HZ3      TRP  61 -16.810   6.156  -9.909
   10    HH2  TRP  61           HH2      TRP  61 -17.102   7.546 -11.936

  No H/Q in entry =          10
  In of MODEL   25
    1    H    SER  62           H        SER  62 -16.817   8.600  -3.812
    2    HA   SER  62           HA       SER  62 -16.811   6.960  -2.248
    3    HB2  SER  62           HB2      SER  62 -14.233   6.184  -3.645
    4    HB3  SER  62           HB3      SER  62 -15.060   5.164  -2.461
    5    HG   SER  62           HG       SER  62 -15.729   5.767  -5.097

  No H/Q in entry =           5
  In of MODEL   25
    1    H    PHE  63           H        PHE  63 -14.921   5.750  -0.719
    2    HA   PHE  63           HA       PHE  63 -13.609   7.951   0.733
    3    HB2  PHE  63           HB2      PHE  63 -14.243   5.153   1.729
    4    HB3  PHE  63           HB3      PHE  63 -13.619   6.483   2.689
    5    HD1  PHE  63           HD1      PHE  63 -15.083   8.051   3.699
    6    HD2  PHE  63           HD2      PHE  63 -16.585   5.243   0.868
    7    HE1  PHE  63           HE1      PHE  63 -17.394   8.638   4.351
    8    HE2  PHE  63           HE2      PHE  63 -18.892   5.829   1.510
    9    HZ   PHE  63           HZ       PHE  63 -19.291   7.526   3.247

  No H/Q in entry =           9
  In of MODEL   25
    1    H    TYR  64           H        TYR  64 -11.585   7.022   1.970
    2    HA   TYR  64           HA       TYR  64 -10.008   5.387   0.115
    3    HB2  TYR  64           HB2      TYR  64  -9.036   8.060   1.174
    4    HB3  TYR  64           HB3      TYR  64  -8.231   7.041  -0.008
    5    HD1  TYR  64           HD1      TYR  64 -10.676   9.640   0.527
    6    HD2  TYR  64           HD2      TYR  64  -9.206   6.837  -2.323
    7    HE1  TYR  64           HE1      TYR  64 -11.780  10.899  -1.281
    8    HE2  TYR  64           HE2      TYR  64 -10.310   8.097  -4.132
    9    HH   TYR  64           HH       TYR  64 -12.281   9.652  -4.320

  No H/Q in entry =           9
  In of MODEL   25
    1    H    LEU  65           H        LEU  65  -8.178   4.345   1.117
    2    HA   LEU  65           HA       LEU  65  -7.567   5.147   3.845
    3    HB2  LEU  65           HB2      LEU  65  -9.090   3.399   4.277
    4    HB3  LEU  65           HB3      LEU  65  -8.418   2.374   3.027
    5    HG   LEU  65           HG       LEU  65  -6.699   3.065   5.383
    6   HD11  LEU  65          HD11      LEU  65  -8.976   2.478   6.227
    7   HD12  LEU  65          HD12      LEU  65  -8.806   0.918   5.422
    8   HD13  LEU  65          HD13      LEU  65  -7.700   1.371   6.719
    9   HD21  LEU  65          HD21      LEU  65  -5.903   1.727   3.423
   10   HD22  LEU  65          HD22      LEU  65  -5.796   0.897   4.980
   11   HD23  LEU  65          HD23      LEU  65  -7.097   0.500   3.856

  No H/Q in entry =          11
  In of MODEL   25
    1    H    LEU  66           H        LEU  66  -5.480   5.168   4.277
    2    HA   LEU  66           HA       LEU  66  -3.704   4.262   2.120
    3    HB2  LEU  66           HB2      LEU  66  -3.858   6.531   1.794
    4    HB3  LEU  66           HB3      LEU  66  -3.921   6.906   3.497
    5    HG   LEU  66           HG       LEU  66  -1.472   6.375   3.647
    6   HD11  LEU  66          HD11      LEU  66  -1.774   5.779   0.761
    7   HD12  LEU  66          HD12      LEU  66  -0.227   6.172   1.518
    8   HD13  LEU  66          HD13      LEU  66  -1.144   4.767   2.060
    9   HD21  LEU  66          HD21      LEU  66  -2.172   8.361   1.485
   10   HD22  LEU  66          HD22      LEU  66  -2.166   8.688   3.217
   11   HD23  LEU  66          HD23      LEU  66  -0.658   8.311   2.385

  No H/Q in entry =          11
  In of MODEL   25
    1    H    TYR  67           H        TYR  67  -2.215   2.895   2.737
    2    HA   TYR  67           HA       TYR  67  -1.210   2.961   5.497
    3    HB2  TYR  67           HB2      TYR  67  -1.761   0.722   3.627
    4    HB3  TYR  67           HB3      TYR  67  -0.347   0.574   4.664
    5    HD1  TYR  67           HD1      TYR  67  -4.003   0.582   4.535
    6    HD2  TYR  67           HD2      TYR  67  -0.596   0.432   7.090
    7    HE1  TYR  67           HE1      TYR  67  -5.399  -0.286   6.338
    8    HE2  TYR  67           HE2      TYR  67  -2.002  -0.425   8.919
    9    HH   TYR  67           HH       TYR  67  -4.960  -1.728   8.522

  No H/Q in entry =           9
  In of MODEL   25
    1    H    TYR  68           H        TYR  68   0.727   3.791   5.716
    2    HA   TYR  68           HA       TYR  68   2.625   3.547   3.481
    3    HB2  TYR  68           HB2      TYR  68   3.261   5.894   3.645
    4    HB3  TYR  68           HB3      TYR  68   1.527   5.774   3.331
    5    HD1  TYR  68           HD1      TYR  68   4.090   6.917   5.631
    6    HD2  TYR  68           HD2      TYR  68  -0.084   6.253   5.187
    7    HE1  TYR  68           HE1      TYR  68   3.656   8.369   7.568
    8    HE2  TYR  68           HE2      TYR  68  -0.535   7.719   7.114
    9    HH   TYR  68           HH       TYR  68   0.696   8.475   9.156

  No H/Q in entry =           9
  In of MODEL   25
    1    H    THR  69           H        THR  69   4.846   4.157   4.092
    2    HA   THR  69           HA       THR  69   5.482   4.263   6.913
    3    HB   THR  69           HB       THR  69   5.270   1.816   6.489
    4    HG1  THR  69           HG1      THR  69   6.824   2.704   8.012
    5   HG21  THR  69          HG21      THR  69   7.477   2.326   4.498
    6   HG22  THR  69          HG22      THR  69   7.086   0.727   5.132
    7   HG23  THR  69          HG23      THR  69   5.888   1.621   4.191

  No H/Q in entry =           7
  In of MODEL   25
    1    H    GLU  70           H        GLU  70   7.446   5.242   7.272
    2    HA   GLU  70           HA       GLU  70   8.840   6.358   4.986
    3    HB2  GLU  70           HB2      GLU  70   8.486   7.627   7.153
    4    HB3  GLU  70           HB3      GLU  70   9.587   6.499   7.925
    5    HG2  GLU  70           HG2      GLU  70  11.318   7.217   6.230
    6    HG3  GLU  70           HG3      GLU  70  10.209   8.508   5.784

  No H/Q in entry =           6
  In of MODEL   25
    1    H    PHE  71           H        PHE  71  10.755   5.595   4.151
    2    HA   PHE  71           HA       PHE  71  12.012   3.334   5.459
    3    HB2  PHE  71           HB2      PHE  71  11.742   1.791   3.607
    4    HB3  PHE  71           HB3      PHE  71  10.160   2.310   4.167
    5    HD1  PHE  71           HD1      PHE  71  10.892   1.017   1.512
    6    HD2  PHE  71           HD2      PHE  71  10.415   5.073   2.677
    7    HE1  PHE  71           HE1      PHE  71  10.270   1.590  -0.794
    8    HE2  PHE  71           HE2      PHE  71   9.802   5.668   0.362
    9    HZ   PHE  71           HZ       PHE  71   9.735   3.927  -1.384

  No H/Q in entry =           9
  In of MODEL   25
    1    H    THR  72           H        THR  72  14.038   2.756   4.510
    2    HA   THR  72           HA       THR  72  15.102   4.735   2.619
    3    HB   THR  72           HB       THR  72  16.640   3.182   4.713
    4    HG1  THR  72           HG1      THR  72  15.264   4.874   5.563
    5   HG21  THR  72          HG21      THR  72  17.973   3.719   2.730
    6   HG22  THR  72          HG22      THR  72  17.499   5.414   2.867
    7   HG23  THR  72          HG23      THR  72  18.495   4.671   4.121

  No H/Q in entry =           7
  In of MODEL   25
    1    HA   PRO  73           HA       PRO  73  14.773   0.763   0.241
    2    HB2  PRO  73           HB2      PRO  73  15.469   2.223  -2.083
    3    HB3  PRO  73           HB3      PRO  73  13.838   1.758  -1.580
    4    HG2  PRO  73           HG2      PRO  73  15.286   4.336  -1.216
    5    HG3  PRO  73           HG3      PRO  73  13.558   4.054  -1.516
    6    HD2  PRO  73           HD2      PRO  73  14.431   4.729   0.911
    7    HD3  PRO  73           HD3      PRO  73  13.139   3.516   0.716

  No H/Q in entry =           7
  In of MODEL   25
    1    H    THR  74           H        THR  74  16.323  -0.553  -0.555
    2    HA   THR  74           HA       THR  74  19.048   0.493  -0.771
    3    HB   THR  74           HB       THR  74  19.951  -1.485   0.296
    4    HG1  THR  74           HG1      THR  74  18.511  -3.068   1.180
    5   HG21  THR  74          HG21      THR  74  19.299   0.344   1.795
    6   HG22  THR  74          HG22      THR  74  17.697  -0.374   1.968
    7   HG23  THR  74          HG23      THR  74  19.115  -1.226   2.577

  No H/Q in entry =           7
  In of MODEL   25
    1    H    GLU  75           H        GLU  75  20.447  -0.913  -2.073
    2    HA   GLU  75           HA       GLU  75  19.486  -1.756  -4.510
    3    HB2  GLU  75           HB2      GLU  75  21.900  -1.425  -3.618
    4    HB3  GLU  75           HB3      GLU  75  21.808  -3.106  -3.147
    5    HG2  GLU  75           HG2      GLU  75  21.609  -2.005  -5.935
    6    HG3  GLU  75           HG3      GLU  75  22.964  -2.883  -5.234

  No H/Q in entry =           6
  In of MODEL   25
    1    H    LYS  76           H        LYS  76  19.973  -3.668  -1.581
    2    HA   LYS  76           HA       LYS  76  19.477  -6.118  -2.993
    3    HB2  LYS  76           HB2      LYS  76  20.278  -5.517  -0.163
    4    HB3  LYS  76           HB3      LYS  76  20.087  -7.141  -0.803
    5    HG2  LYS  76           HG2      LYS  76  22.073  -7.101  -1.818
    6    HG3  LYS  76           HG3      LYS  76  21.823  -5.469  -2.438
    7    HD2  LYS  76           HD2      LYS  76  22.395  -4.562  -0.228
    8    HD3  LYS  76           HD3      LYS  76  22.693  -6.202   0.352
    9    HE2  LYS  76           HE2      LYS  76  24.417  -6.429  -1.454
   10    HE3  LYS  76           HE3      LYS  76  24.195  -4.710  -1.793
   11    HZ1  LYS  76           HZ1      LYS  76  24.821  -4.242   0.520
   12    HZ2  LYS  76           HZ2      LYS  76  25.105  -5.890   0.777
   13    HZ3  LYS  76           HZ3      LYS  76  26.062  -5.031  -0.321

  No H/Q in entry =          13
  In of MODEL   25
    1    H    ASP  77           H        ASP  77  17.610  -3.998  -0.969
    2    HA   ASP  77           HA       ASP  77  15.892  -6.249  -0.157
    3    HB2  ASP  77           HB2      ASP  77  16.771  -4.116   1.323
    4    HB3  ASP  77           HB3      ASP  77  15.159  -3.591   0.834

  No H/Q in entry =           4
  In of MODEL   25
    1    H    GLU  78           H        GLU  78  13.480  -5.286   0.123
    2    HA   GLU  78           HA       GLU  78  12.499  -3.829  -2.124
    3    HB2  GLU  78           HB2      GLU  78  13.219  -6.002  -3.186
    4    HB3  GLU  78           HB3      GLU  78  12.014  -6.820  -2.205
    5    HG2  GLU  78           HG2      GLU  78  10.918  -6.549  -4.205
    6    HG3  GLU  78           HG3      GLU  78  10.356  -5.135  -3.316

  No H/Q in entry =           6
  In of MODEL   25
    1    H    TYR  79           H        TYR  79  10.180  -3.637  -2.061
    2    HA   TYR  79           HA       TYR  79   8.985  -4.538   0.448
    3    HB2  TYR  79           HB2      TYR  79   8.432  -1.848  -0.816
    4    HB3  TYR  79           HB3      TYR  79   7.982  -2.390   0.790
    5    HD1  TYR  79           HD1      TYR  79   9.450  -2.137   2.631
    6    HD2  TYR  79           HD2      TYR  79  10.870  -1.405  -1.312
    7    HE1  TYR  79           HE1      TYR  79  11.519  -1.190   3.558
    8    HE2  TYR  79           HE2      TYR  79  12.946  -0.461  -0.393
    9    HH   TYR  79           HH       TYR  79  13.914  -0.893   2.768

  No H/Q in entry =           9
  In of MODEL   25
    1    H    ALA  80           H        ALA  80   6.674  -4.730   0.457
    2    HA   ALA  80           HA       ALA  80   5.412  -4.851  -2.209
    3    HB1  ALA  80           HB1      ALA  80   4.733  -7.042  -2.066
    4    HB2  ALA  80           HB2      ALA  80   6.344  -7.125  -1.346
    5    HB3  ALA  80           HB3      ALA  80   4.910  -7.097  -0.320

  No H/Q in entry =           5
  In of MODEL   25
    1    H    CYS  81           H        CYS  81   2.993  -5.069  -2.082
    2    HA   CYS  81           HA       CYS  81   1.927  -3.962   0.442
    3    HB2  CYS  81           HB2      CYS  81   1.493  -3.254  -2.402
    4    HB3  CYS  81           HB3      CYS  81   0.045  -3.322  -1.403

  No H/Q in entry =           4
  In of MODEL   25
    1    H    ARG  82           H        ARG  82   0.308  -5.133   1.390
    2    HA   ARG  82           HA       ARG  82  -0.999  -7.289  -0.186
    3    HB2  ARG  82           HB2      ARG  82   0.523  -7.934   1.798
    4    HB3  ARG  82           HB3      ARG  82  -0.735  -7.242   2.807
    5    HG2  ARG  82           HG2      ARG  82  -2.282  -8.876   1.459
    6    HG3  ARG  82           HG3      ARG  82  -0.759  -9.729   1.189
    7    HD2  ARG  82           HD2      ARG  82  -2.097  -9.082   3.795
    8    HD3  ARG  82           HD3      ARG  82  -1.668 -10.670   3.163
    9    HE   ARG  82           HE       ARG  82   0.428  -8.725   3.872
   10   HH11  ARG  82          HH11      ARG  82  -1.135 -11.827   4.368
   11   HH12  ARG  82          HH12      ARG  82   0.028 -12.378   5.535
   12   HH21  ARG  82          HH21      ARG  82   1.953  -9.435   5.388
   13   HH22  ARG  82          HH22      ARG  82   1.817 -11.021   6.092

  No H/Q in entry =          13
  In of MODEL   25
    1    H    VAL  83           H        VAL  83  -3.257  -7.343  -0.145
    2    HA   VAL  83           HA       VAL  83  -4.567  -5.809   1.991
    3    HB   VAL  83           HB       VAL  83  -6.084  -4.681   0.687
    4   HG11  VAL  83          HG11      VAL  83  -3.557  -4.737  -0.898
    5   HG12  VAL  83          HG12      VAL  83  -4.840  -3.540  -1.084
    6   HG13  VAL  83          HG13      VAL  83  -3.964  -3.671   0.445
    7   HG21  VAL  83          HG21      VAL  83  -5.405  -6.477  -1.632
    8   HG22  VAL  83          HG22      VAL  83  -6.892  -6.499  -0.681
    9   HG23  VAL  83          HG23      VAL  83  -6.514  -5.106  -1.697

  No H/Q in entry =           9
  In of MODEL   25
    1    H    ASN  84           H        ASN  84  -6.407  -6.624   2.754
    2    HA   ASN  84           HA       ASN  84  -7.251  -9.227   1.709
    3    HB2  ASN  84           HB2      ASN  84  -7.341  -8.301   4.597
    4    HB3  ASN  84           HB3      ASN  84  -7.762  -9.900   4.004
    5   HD21  ASN  84          HD21      ASN  84  -5.068  -7.632   4.281
    6   HD22  ASN  84          HD22      ASN  84  -3.840  -8.843   4.397

  No H/Q in entry =           6
  In of MODEL   25
    1    H    HIS  85           H        HIS  85  -9.288  -9.164   0.857
    2    HA   HIS  85           HA       HIS  85 -11.368  -7.898   2.449
    3    HB2  HIS  85           HB2      HIS  85 -10.456  -6.397   0.459
    4    HB3  HIS  85           HB3      HIS  85 -11.489  -7.449  -0.505
    5    HD2  HIS  85           HD2      HIS  85 -11.948  -5.171   2.691
    6    HE1  HIS  85           HE1      HIS  85 -15.470  -5.147   0.334
    7    HE2  HIS  85           HE2      HIS  85 -14.261  -4.055   2.276

  No H/Q in entry =           7
  In of MODEL   25
    1    H    VAL  86           H        VAL  86 -13.612  -8.601   1.492
    2    HA   VAL  86           HA       VAL  86 -13.518 -11.433   1.433
    3    HB   VAL  86           HB       VAL  86 -15.939 -11.371   1.142
    4   HG11  VAL  86          HG11      VAL  86 -14.920  -9.307   3.088
    5   HG12  VAL  86          HG12      VAL  86 -16.514 -10.061   3.146
    6   HG13  VAL  86          HG13      VAL  86 -15.067 -11.041   3.371
    7   HG21  VAL  86          HG21      VAL  86 -16.070  -9.524  -0.474
    8   HG22  VAL  86          HG22      VAL  86 -17.157  -9.277   0.893
    9   HG23  VAL  86          HG23      VAL  86 -15.641  -8.385   0.801

  No H/Q in entry =           9
  In of MODEL   25
    1    H    THR  87           H        THR  87 -13.488  -9.028  -1.066
    2    HA   THR  87           HA       THR  87 -14.715 -10.547  -3.107
    3    HB   THR  87           HB       THR  87 -13.863  -8.839  -4.627
    4    HG1  THR  87           HG1      THR  87 -11.817  -8.413  -3.909
    5   HG21  THR  87          HG21      THR  87 -15.808  -8.310  -3.176
    6   HG22  THR  87          HG22      THR  87 -14.696  -7.574  -2.020
    7   HG23  THR  87          HG23      THR  87 -14.874  -6.882  -3.631

  No H/Q in entry =           7
  In of MODEL   25
    1    H    LEU  88           H        LEU  88 -11.363  -9.969  -2.198
    2    HA   LEU  88           HA       LEU  88 -10.302 -11.452  -4.404
    3    HB2  LEU  88           HB2      LEU  88  -8.994 -10.461  -1.855
    4    HB3  LEU  88           HB3      LEU  88  -8.131 -11.171  -3.206
    5    HG   LEU  88           HG       LEU  88  -9.670  -8.572  -3.238
    6   HD11  LEU  88          HD11      LEU  88  -7.518  -8.445  -2.056
    7   HD12  LEU  88          HD12      LEU  88  -6.703  -9.101  -3.489
    8   HD13  LEU  88          HD13      LEU  88  -7.502  -7.524  -3.570
    9   HD21  LEU  88          HD21      LEU  88  -8.126  -9.938  -5.437
   10   HD22  LEU  88          HD22      LEU  88  -9.874  -9.717  -5.369
   11   HD23  LEU  88          HD23      LEU  88  -8.815  -8.315  -5.517

  No H/Q in entry =          11
  In of MODEL   25
    1    H    SER  89           H        SER  89 -10.483 -13.597  -4.484
    2    HA   SER  89           HA       SER  89 -11.249 -15.205  -2.312
    3    HB2  SER  89           HB2      SER  89 -10.729 -17.110  -3.834
    4    HB3  SER  89           HB3      SER  89 -11.723 -15.871  -4.590
    5    HG   SER  89           HG       SER  89  -9.527 -16.823  -5.553

  No H/Q in entry =           5
  In of MODEL   25
    1    H    GLN  90           H        GLN  90  -8.197 -14.037  -3.351
    2    HA   GLN  90           HA       GLN  90  -6.939 -15.271  -1.024
    3    HB2  GLN  90           HB2      GLN  90  -5.387 -14.826  -3.570
    4    HB3  GLN  90           HB3      GLN  90  -4.956 -15.827  -2.197
    5    HG2  GLN  90           HG2      GLN  90  -6.319 -17.580  -2.883
    6    HG3  GLN  90           HG3      GLN  90  -7.280 -16.541  -3.945
    7   HE21  GLN  90          HE21      GLN  90  -6.967 -17.791  -5.761
    8   HE22  GLN  90          HE22      GLN  90  -5.435 -17.927  -6.559

  No H/Q in entry =           8
  In of MODEL   25
    1    HA   PRO  91           HA       PRO  91  -6.174 -10.774  -0.347
    2    HB2  PRO  91           HB2      PRO  91  -3.848 -12.168   0.979
    3    HB3  PRO  91           HB3      PRO  91  -4.721 -10.700   1.485
    4    HG2  PRO  91           HG2      PRO  91  -5.353 -12.964   2.635
    5    HG3  PRO  91           HG3      PRO  91  -6.664 -11.911   2.027
    6    HD2  PRO  91           HD2      PRO  91  -5.526 -14.445   0.849
    7    HD3  PRO  91           HD3      PRO  91  -7.232 -13.899   0.881

  No H/Q in entry =           7
  In of MODEL   25
    1    H    LYS  92           H        LYS  92  -4.988  -9.356  -1.415
    2    HA   LYS  92           HA       LYS  92  -3.361 -10.468  -3.534
    3    HB2  LYS  92           HB2      LYS  92  -5.248  -8.966  -4.078
    4    HB3  LYS  92           HB3      LYS  92  -4.434  -7.668  -3.212
    5    HG2  LYS  92           HG2      LYS  92  -4.025  -7.400  -5.542
    6    HG3  LYS  92           HG3      LYS  92  -2.520  -7.911  -4.759
    7    HD2  LYS  92           HD2      LYS  92  -2.611  -9.237  -6.656
    8    HD3  LYS  92           HD3      LYS  92  -3.263 -10.276  -5.383
    9    HE2  LYS  92           HE2      LYS  92  -5.491  -9.923  -6.118
   10    HE3  LYS  92           HE3      LYS  92  -5.001  -8.621  -7.202
   11    HZ1  LYS  92           HZ1      LYS  92  -4.079 -11.422  -7.515
   12    HZ2  LYS  92           HZ2      LYS  92  -5.446 -10.806  -8.304
   13    HZ3  LYS  92           HZ3      LYS  92  -3.913 -10.151  -8.623

  No H/Q in entry =          13
  In of MODEL   25
    1    H    ILE  93           H        ILE  93  -1.263 -10.298  -3.614
    2    HA   ILE  93           HA       ILE  93   0.054  -8.142  -2.106
    3    HB   ILE  93           HB       ILE  93   1.223 -10.780  -2.992
    4   HG12  ILE  93          HG12      ILE  93   1.710 -10.994  -0.494
    5   HG13  ILE  93          HG13      ILE  93   0.596  -9.657  -0.259
    6   HG21  ILE  93          HG21      ILE  93   2.849  -9.022  -3.288
    7   HG22  ILE  93          HG22      ILE  93   2.577  -8.463  -1.637
    8   HG23  ILE  93          HG23      ILE  93   3.303 -10.045  -1.922
    9   HD11  ILE  93          HD11      ILE  93  -1.187 -10.995  -1.276
   10   HD12  ILE  93          HD12      ILE  93  -0.055 -12.333  -1.466
   11   HD13  ILE  93          HD13      ILE  93  -0.494 -11.773   0.146

  No H/Q in entry =          11
  In of MODEL   25
    1    H    VAL  94           H        VAL  94   1.013  -6.641  -3.257
    2    HA   VAL  94           HA       VAL  94   1.874  -7.281  -5.990
    3    HB   VAL  94           HB       VAL  94   0.682  -4.653  -5.060
    4   HG11  VAL  94          HG11      VAL  94   2.557  -4.307  -6.605
    5   HG12  VAL  94          HG12      VAL  94   1.804  -5.408  -7.760
    6   HG13  VAL  94          HG13      VAL  94   1.016  -3.884  -7.353
    7   HG21  VAL  94          HG21      VAL  94  -0.989  -6.381  -5.502
    8   HG22  VAL  94          HG22      VAL  94  -1.050  -5.114  -6.728
    9   HG23  VAL  94          HG23      VAL  94  -0.286  -6.661  -7.095

  No H/Q in entry =           9
  In of MODEL   25
    1    H    LYS  95           H        LYS  95   3.937  -6.918  -6.324
    2    HA   LYS  95           HA       LYS  95   5.519  -5.982  -4.093
    3    HB2  LYS  95           HB2      LYS  95   7.131  -7.297  -4.942
    4    HB3  LYS  95           HB3      LYS  95   5.912  -7.886  -6.055
    5    HG2  LYS  95           HG2      LYS  95   6.601  -6.307  -7.729
    6    HG3  LYS  95           HG3      LYS  95   7.748  -5.580  -6.605
    7    HD2  LYS  95           HD2      LYS  95   8.268  -8.341  -6.646
    8    HD3  LYS  95           HD3      LYS  95   8.084  -7.837  -8.325
    9    HE2  LYS  95           HE2      LYS  95  10.103  -6.962  -6.294
   10    HE3  LYS  95           HE3      LYS  95  10.354  -7.557  -7.926
   11    HZ1  LYS  95           HZ1      LYS  95   9.470  -5.488  -8.785
   12    HZ2  LYS  95           HZ2      LYS  95   9.219  -4.912  -7.208
   13    HZ3  LYS  95           HZ3      LYS  95  10.794  -5.206  -7.759

  No H/Q in entry =          13
  In of MODEL   25
    1    H    TRP  96           H        TRP  96   6.886  -4.188  -4.148
    2    HA   TRP  96           HA       TRP  96   5.981  -2.061  -5.882
    3    HB2  TRP  96           HB2      TRP  96   6.419  -1.615  -3.495
    4    HB3  TRP  96           HB3      TRP  96   8.101  -2.105  -3.694
    5    HD1  TRP  96           HD1      TRP  96   5.710   0.577  -5.194
    6    HE1  TRP  96           HE1      TRP  96   7.096   2.737  -5.510
    7    HE3  TRP  96           HE3      TRP  96  10.296  -1.113  -3.654
    8    HZ2  TRP  96           HZ2      TRP  96   9.737   3.601  -5.149
    9    HZ3  TRP  96           HZ3      TRP  96  12.190   0.443  -3.640
   10    HH2  TRP  96           HH2      TRP  96  11.912   2.780  -4.366

  No H/Q in entry =          10
  In of MODEL   25
    1    H    ASP  97           H        ASP  97   7.028  -1.392  -7.677
    2    HA   ASP  97           HA       ASP  97   9.730  -2.456  -8.133
    3    HB2  ASP  97           HB2      ASP  97   9.199  -2.616 -10.555
    4    HB3  ASP  97           HB3      ASP  97   8.221  -3.704  -9.574

  No H/Q in entry =           4
  In of MODEL   25
    1    H    ARG  98           H        ARG  98  11.216  -1.126  -8.900
    2    HA   ARG  98           HA       ARG  98  10.438   1.681  -9.236
    3    HB2  ARG  98           HB2      ARG  98  12.901   2.116  -8.852
    4    HB3  ARG  98           HB3      ARG  98  12.053   1.416  -7.494
    5    HG2  ARG  98           HG2      ARG  98  13.285  -0.571  -9.241
    6    HG3  ARG  98           HG3      ARG  98  14.433   0.547  -8.515
    7    HD2  ARG  98           HD2      ARG  98  12.384  -0.835  -6.809
    8    HD3  ARG  98           HD3      ARG  98  13.864  -1.667  -7.282
    9    HE   ARG  98           HE       ARG  98  14.392   0.907  -6.165
   10   HH11  ARG  98          HH11      ARG  98  13.514  -2.374  -5.244
   11   HH12  ARG  98          HH12      ARG  98  14.508  -2.371  -3.822
   12   HH21  ARG  98          HH21      ARG  98  15.691   0.907  -4.289
   13   HH22  ARG  98          HH22      ARG  98  15.764  -0.513  -3.287

  No H/Q in entry =          13
  In of MODEL   25
    1    H    ASP  99           H        ASP  99  12.347  -0.920 -10.713
    2    HA   ASP  99           HA       ASP  99  12.093   0.484 -13.286
    3    HB2  ASP  99           HB2      ASP  99  14.551  -1.088 -12.479
    4    HB3  ASP  99           HB3      ASP  99  14.336  -0.128 -13.936

  No H/Q in entry =           4
  In of MODEL   25
    1    H    MET 100           H        MET 100  11.683  -2.245 -11.424
    2    HA   MET 100           HA       MET 100  12.061  -4.247 -13.449
    3    HB2  MET 100           HB2      MET 100  10.728  -4.507 -10.747
    4    HB3  MET 100           HB3      MET 100  11.373  -5.807 -11.738
    5    HG2  MET 100           HG2      MET 100  13.602  -5.119 -11.357
    6    HG3  MET 100           HG3      MET 100  13.076  -3.598 -10.629
    7    HE1  MET 100           HE1      MET 100  15.207  -5.595  -9.293
    8    HE2  MET 100           HE2      MET 100  14.711  -4.070  -8.559
    9    HE3  MET 100           HE3      MET 100  14.672  -5.557  -7.613

  No H/Q in entry =           9
  In of MODEL   26
    1    HA   ILE   2           HA       ILE   2 -22.440  -3.366  -3.842
    2    HB   ILE   2           HB       ILE   2 -22.827  -4.546  -1.658
    3   HG12  ILE   2          HG12      ILE   2 -23.036  -7.019  -3.400
    4   HG13  ILE   2          HG13      ILE   2 -21.762  -6.716  -2.219
    5   HG21  ILE   2          HG21      ILE   2 -24.665  -3.674  -2.988
    6   HG22  ILE   2          HG22      ILE   2 -24.749  -5.188  -3.890
    7   HG23  ILE   2          HG23      ILE   2 -25.141  -5.163  -2.170
    8   HD11  ILE   2          HD11      ILE   2 -24.691  -7.026  -1.605
    9   HD12  ILE   2          HD12      ILE   2 -23.437  -8.240  -1.352
   10   HD13  ILE   2          HD13      ILE   2 -23.408  -6.738  -0.430

  No H/Q in entry =          10
  In of MODEL   26
    1    H    GLN   3           H        GLN   3 -20.391  -6.285  -3.779
    2    HA   GLN   3           HA       GLN   3 -18.380  -4.720  -2.303
    3    HB2  GLN   3           HB2      GLN   3 -19.359  -7.328  -1.867
    4    HB3  GLN   3           HB3      GLN   3 -17.740  -7.506  -2.531
    5    HG2  GLN   3           HG2      GLN   3 -17.476  -7.467  -0.188
    6    HG3  GLN   3           HG3      GLN   3 -16.958  -5.886  -0.771
    7   HE21  GLN   3          HE21      GLN   3 -19.407  -7.632   0.968
    8   HE22  GLN   3          HE22      GLN   3 -20.199  -6.248   1.649

  No H/Q in entry =           8
  In of MODEL   26
    1    H    ARG   4           H        ARG   4 -18.376  -4.066  -4.910
    2    HA   ARG   4           HA       ARG   4 -16.665  -5.231  -6.570
    3    HB2  ARG   4           HB2      ARG   4 -17.336  -3.138  -7.277
    4    HB3  ARG   4           HB3      ARG   4 -16.999  -2.380  -5.730
    5    HG2  ARG   4           HG2      ARG   4 -15.361  -1.423  -6.937
    6    HG3  ARG   4           HG3      ARG   4 -14.456  -2.840  -6.461
    7    HD2  ARG   4           HD2      ARG   4 -15.737  -2.159  -9.098
    8    HD3  ARG   4           HD3      ARG   4 -14.064  -2.605  -8.769
    9    HE   ARG   4           HE       ARG   4 -15.524  -4.832  -8.134
   10   HH11  ARG   4          HH11      ARG   4 -15.176  -2.804 -10.964
   11   HH12  ARG   4          HH12      ARG   4 -15.525  -4.087 -12.082
   12   HH21  ARG   4          HH21      ARG   4 -15.986  -6.538  -9.612
   13   HH22  ARG   4          HH22      ARG   4 -15.987  -6.194 -11.319

  No H/Q in entry =          13
  In of MODEL   26
    1    H    THR   5           H        THR   5 -14.391  -5.146  -6.965
    2    HA   THR   5           HA       THR   5 -13.010  -6.096  -4.630
    3    HB   THR   5           HB       THR   5 -11.325  -6.905  -6.228
    4    HG1  THR   5           HG1      THR   5 -11.291  -5.305  -7.793
    5   HG21  THR   5          HG21      THR   5 -14.214  -7.437  -6.738
    6   HG22  THR   5          HG22      THR   5 -13.020  -8.102  -7.853
    7   HG23  THR   5          HG23      THR   5 -12.948  -8.511  -6.146

  No H/Q in entry =           7
  In of MODEL   26
    1    HA   PRO   6           HA       PRO   6 -10.580  -2.303  -4.295
    2    HB2  PRO   6           HB2      PRO   6  -8.895  -3.702  -2.385
    3    HB3  PRO   6           HB3      PRO   6 -10.001  -2.358  -2.101
    4    HG2  PRO   6           HG2      PRO   6 -10.418  -4.908  -1.171
    5    HG3  PRO   6           HG3      PRO   6 -11.716  -3.726  -1.469
    6    HD2  PRO   6           HD2      PRO   6 -10.829  -6.057  -3.139
    7    HD3  PRO   6           HD3      PRO   6 -12.460  -5.389  -2.889

  No H/Q in entry =           7
  In of MODEL   26
    1    H    LYS   7           H        LYS   7  -8.855  -1.738  -5.497
    2    HA   LYS   7           HA       LYS   7  -7.180  -3.920  -6.532
    3    HB2  LYS   7           HB2      LYS   7  -8.491  -2.781  -8.261
    4    HB3  LYS   7           HB3      LYS   7  -7.850  -1.225  -7.754
    5    HG2  LYS   7           HG2      LYS   7  -5.603  -1.943  -8.429
    6    HG3  LYS   7           HG3      LYS   7  -6.272  -3.485  -8.968
    7    HD2  LYS   7           HD2      LYS   7  -7.188  -0.819 -10.028
    8    HD3  LYS   7           HD3      LYS   7  -5.900  -1.766 -10.775
    9    HE2  LYS   7           HE2      LYS   7  -7.449  -3.618 -11.122
   10    HE3  LYS   7           HE3      LYS   7  -8.737  -2.703 -10.336
   11    HZ1  LYS   7           HZ1      LYS   7  -7.320  -1.738 -12.754
   12    HZ2  LYS   7           HZ2      LYS   7  -8.740  -2.666 -12.829
   13    HZ3  LYS   7           HZ3      LYS   7  -8.762  -1.141 -12.086

  No H/Q in entry =          13
  In of MODEL   26
    1    H    ILE   8           H        ILE   8  -4.925  -3.473  -6.848
    2    HA   ILE   8           HA       ILE   8  -3.923  -1.924  -4.586
    3    HB   ILE   8           HB       ILE   8  -2.188  -3.676  -6.281
    4   HG12  ILE   8          HG12      ILE   8  -4.100  -5.090  -5.863
    5   HG13  ILE   8          HG13      ILE   8  -2.792  -5.594  -4.805
    6   HG21  ILE   8          HG21      ILE   8  -1.173  -2.313  -4.528
    7   HG22  ILE   8          HG22      ILE   8  -2.235  -3.053  -3.328
    8   HG23  ILE   8          HG23      ILE   8  -1.026  -4.033  -4.162
    9   HD11  ILE   8          HD11      ILE   8  -3.822  -4.343  -2.971
   10   HD12  ILE   8          HD12      ILE   8  -5.159  -3.917  -4.039
   11   HD13  ILE   8          HD13      ILE   8  -4.873  -5.609  -3.613

  No H/Q in entry =          11
  In of MODEL   26
    1    H    GLN   9           H        GLN   9  -2.919  -0.068  -4.837
    2    HA   GLN   9           HA       GLN   9  -1.224   0.264  -7.205
    3    HB2  GLN   9           HB2      GLN   9  -2.256   2.859  -6.281
    4    HB3  GLN   9           HB3      GLN   9  -2.255   2.261  -7.941
    5    HG2  GLN   9           HG2      GLN   9  -4.286   1.094  -7.627
    6    HG3  GLN   9           HG3      GLN   9  -4.304   1.425  -5.900
    7   HE21  GLN   9          HE21      GLN   9  -4.740   2.767  -9.083
    8   HE22  GLN   9          HE22      GLN   9  -5.546   4.217  -8.585

  No H/Q in entry =           8
  In of MODEL   26
    1    H    VAL  10           H        VAL  10   0.772   0.485  -6.495
    2    HA   VAL  10           HA       VAL  10   1.319   1.932  -4.010
    3    HB   VAL  10           HB       VAL  10   1.461  -0.245  -3.149
    4   HG11  VAL  10          HG11      VAL  10   1.261  -1.437  -5.281
    5   HG12  VAL  10          HG12      VAL  10   2.971  -1.142  -5.595
    6   HG13  VAL  10          HG13      VAL  10   2.486  -2.144  -4.221
    7   HG21  VAL  10          HG21      VAL  10   4.244   0.492  -4.049
    8   HG22  VAL  10          HG22      VAL  10   3.450   0.956  -2.541
    9   HG23  VAL  10          HG23      VAL  10   3.875  -0.733  -2.834

  No H/Q in entry =           9
  In of MODEL   26
    1    H    TYR  11           H        TYR  11   3.039   3.223  -4.049
    2    HA   TYR  11           HA       TYR  11   5.083   3.042  -6.056
    3    HB2  TYR  11           HB2      TYR  11   4.607   5.191  -7.139
    4    HB3  TYR  11           HB3      TYR  11   3.266   4.078  -7.358
    5    HD1  TYR  11           HD1      TYR  11   4.385   7.110  -5.578
    6    HD2  TYR  11           HD2      TYR  11   1.095   4.579  -6.490
    7    HE1  TYR  11           HE1      TYR  11   2.842   8.818  -4.720
    8    HE2  TYR  11           HE2      TYR  11  -0.460   6.277  -5.627
    9    HH   TYR  11           HH       TYR  11  -0.529   8.182  -4.237

  No H/Q in entry =           9
  In of MODEL   26
    1    H    SER  12           H        SER  12   6.601   4.943  -5.872
    2    HA   SER  12           HA       SER  12   7.061   5.552  -3.081
    3    HB2  SER  12           HB2      SER  12   9.021   6.870  -4.454
    4    HB3  SER  12           HB3      SER  12   9.120   5.138  -4.091
    5    HG   SER  12           HG       SER  12   8.596   6.448  -6.493

  No H/Q in entry =           5
  In of MODEL   26
    1    H    ARG  13           H        ARG  13   6.650   7.460  -2.084
    2    HA   ARG  13           HA       ARG  13   4.903   9.364  -3.232
    3    HB2  ARG  13           HB2      ARG  13   5.679   8.806  -0.715
    4    HB3  ARG  13           HB3      ARG  13   6.702  10.200  -1.004
    5    HG2  ARG  13           HG2      ARG  13   3.713  10.038  -0.866
    6    HG3  ARG  13           HG3      ARG  13   4.806  11.080   0.034
    7    HD2  ARG  13           HD2      ARG  13   4.537  12.705  -1.484
    8    HD3  ARG  13           HD3      ARG  13   5.057  11.604  -2.764
    9    HE   ARG  13           HE       ARG  13   2.280  11.530  -1.823
   10   HH11  ARG  13          HH11      ARG  13   4.608  12.130  -4.371
   11   HH12  ARG  13          HH12      ARG  13   3.397  12.282  -5.614
   12   HH21  ARG  13          HH21      ARG  13   0.693  11.710  -3.446
   13   HH22  ARG  13          HH22      ARG  13   1.174  12.030  -5.084

  No H/Q in entry =          13
  In of MODEL   26
    1    H    HIS  14           H        HIS  14   8.371   9.496  -2.608
    2    HA   HIS  14           HA       HIS  14   8.621  11.603  -4.623
    3    HB2  HIS  14           HB2      HIS  14   9.657  11.632  -1.805
    4    HB3  HIS  14           HB3      HIS  14  10.583  12.454  -3.057
    5    HD2  HIS  14           HD2      HIS  14   7.254  13.206  -4.265
    6    HE1  HIS  14           HE1      HIS  14   7.831  16.010  -1.150
    7    HE2  HIS  14           HE2      HIS  14   6.580  15.514  -3.300

  No H/Q in entry =           7
  In of MODEL   26
    1    HA   PRO  15           HA       PRO  15  12.077   9.567  -6.534
    2    HB2  PRO  15           HB2      PRO  15  14.406  10.788  -5.456
    3    HB3  PRO  15           HB3      PRO  15  13.616  11.146  -7.003
    4    HG2  PRO  15           HG2      PRO  15  13.414  12.598  -4.389
    5    HG3  PRO  15           HG3      PRO  15  13.227  13.211  -6.066
    6    HD2  PRO  15           HD2      PRO  15  11.107  12.850  -4.420
    7    HD3  PRO  15           HD3      PRO  15  10.993  12.568  -6.183

  No H/Q in entry =           7
  In of MODEL   26
    1    H    ALA  16           H        ALA  16  12.591   7.580  -6.041
    2    HA   ALA  16           HA       ALA  16  13.189   6.815  -3.316
    3    HB1  ALA  16           HB1      ALA  16  11.565   5.525  -4.639
    4    HB2  ALA  16           HB2      ALA  16  12.841   5.114  -5.785
    5    HB3  ALA  16           HB3      ALA  16  12.930   4.536  -4.122

  No H/Q in entry =           5
  In of MODEL   26
    1    H    GLU  17           H        GLU  17  15.219   6.479  -2.614
    2    HA   GLU  17           HA       GLU  17  17.299   5.924  -4.593
    3    HB2  GLU  17           HB2      GLU  17  17.486   8.242  -3.988
    4    HB3  GLU  17           HB3      GLU  17  17.360   7.856  -2.275
    5    HG2  GLU  17           HG2      GLU  17  19.501   6.883  -2.246
    6    HG3  GLU  17           HG3      GLU  17  19.597   6.872  -3.981

  No H/Q in entry =           6
  In of MODEL   26
    1    H    ASN  18           H        ASN  18  18.570   4.248  -4.119
    2    HA   ASN  18           HA       ASN  18  18.048   2.669  -1.782
    3    HB2  ASN  18           HB2      ASN  18  18.435   1.307  -3.582
    4    HB3  ASN  18           HB3      ASN  18  19.676   2.355  -4.265
    5   HD21  ASN  18          HD21      ASN  18  21.097   0.700  -4.614
    6   HD22  ASN  18          HD22      ASN  18  21.911  -0.136  -3.338

  No H/Q in entry =           6
  In of MODEL   26
    1    H    GLY  19           H        GLY  19  19.059   2.586   0.036
    2    HA2  GLY  19           HA2      GLY  19  21.739   3.669   0.423
    3    HA3  GLY  19           HA3      GLY  19  20.713   2.928   1.663

  No H/Q in entry =           3
  In of MODEL   26
    1    H    LYS  20           H        LYS  20  18.477   4.645   0.668
    2    HA   LYS  20           HA       LYS  20  19.171   7.136   2.054
    3    HB2  LYS  20           HB2      LYS  20  19.311   7.137  -0.584
    4    HB3  LYS  20           HB3      LYS  20  17.562   7.181  -0.472
    5    HG2  LYS  20           HG2      LYS  20  18.149   9.399  -0.706
    6    HG3  LYS  20           HG3      LYS  20  17.892   9.229   1.031
    7    HD2  LYS  20           HD2      LYS  20  20.300   9.029   1.375
    8    HD3  LYS  20           HD3      LYS  20  20.573   9.118  -0.357
    9    HE2  LYS  20           HE2      LYS  20  19.265  11.318   1.247
   10    HE3  LYS  20           HE3      LYS  20  20.989  11.259   0.877
   11    HZ1  LYS  20           HZ1      LYS  20  18.871  11.223  -1.201
   12    HZ2  LYS  20           HZ2      LYS  20  19.644  12.637  -0.678
   13    HZ3  LYS  20           HZ3      LYS  20  20.534  11.411  -1.436

  No H/Q in entry =          13
  In of MODEL   26
    1    H    SER  21           H        SER  21  17.425   8.079   3.079
    2    HA   SER  21           HA       SER  21  15.191   6.464   3.676
    3    HB2  SER  21           HB2      SER  21  14.425   8.445   4.912
    4    HB3  SER  21           HB3      SER  21  16.140   8.148   5.194
    5    HG   SER  21           HG       SER  21  15.370   9.863   3.115

  No H/Q in entry =           5
  In of MODEL   26
    1    H    ASN  22           H        ASN  22  13.161   6.498   2.898
    2    HA   ASN  22           HA       ASN  22  12.409   8.447   0.832
    3    HB2  ASN  22           HB2      ASN  22  13.419   6.223  -0.167
    4    HB3  ASN  22           HB3      ASN  22  11.950   5.480   0.442
    5   HD21  ASN  22          HD21      ASN  22  11.980   8.763  -0.872
    6   HD22  ASN  22          HD22      ASN  22  11.092   8.358  -2.305

  No H/Q in entry =           6
  In of MODEL   26
    1    H    PHE  23           H        PHE  23   9.958   7.907   0.233
    2    HA   PHE  23           HA       PHE  23   8.553   7.074   2.680
    3    HB2  PHE  23           HB2      PHE  23   7.992   9.455   0.912
    4    HB3  PHE  23           HB3      PHE  23   6.795   8.790   2.012
    5    HD1  PHE  23           HD1      PHE  23   6.608   9.687   4.094
    6    HD2  PHE  23           HD2      PHE  23  10.312  10.060   2.030
    7    HE1  PHE  23           HE1      PHE  23   7.467  11.108   5.905
    8    HE2  PHE  23           HE2      PHE  23  11.183  11.477   3.845
    9    HZ   PHE  23           HZ       PHE  23   9.761  11.992   5.793

  No H/Q in entry =           9
  In of MODEL   26
    1    H    LEU  24           H        LEU  24   7.096   5.508   2.329
    2    HA   LEU  24           HA       LEU  24   6.580   4.677  -0.435
    3    HB2  LEU  24           HB2      LEU  24   7.040   3.331   1.954
    4    HB3  LEU  24           HB3      LEU  24   5.338   3.084   1.649
    5    HG   LEU  24           HG       LEU  24   7.662   2.252  -0.102
    6   HD11  LEU  24          HD11      LEU  24   7.214   0.798   1.809
    7   HD12  LEU  24          HD12      LEU  24   5.521   0.681   1.334
    8   HD13  LEU  24          HD13      LEU  24   6.773  -0.003   0.300
    9   HD21  LEU  24          HD21      LEU  24   4.716   2.169  -0.706
   10   HD22  LEU  24          HD22      LEU  24   5.997   2.943  -1.643
   11   HD23  LEU  24          HD23      LEU  24   5.922   1.182  -1.538

  No H/Q in entry =          11
  In of MODEL   26
    1    H    ASN  25           H        ASN  25   4.496   4.346  -1.188
    2    HA   ASN  25           HA       ASN  25   2.296   5.352   0.471
    3    HB2  ASN  25           HB2      ASN  25   3.015   6.294  -2.296
    4    HB3  ASN  25           HB3      ASN  25   1.336   6.303  -1.773
    5   HD21  ASN  25          HD21      ASN  25   1.153   8.492  -1.879
    6   HD22  ASN  25          HD22      ASN  25   1.905   9.548  -0.737

  No H/Q in entry =           6
  In of MODEL   26
    1    H    CYS  26           H        CYS  26   0.694   3.915   0.572
    2    HA   CYS  26           HA       CYS  26   0.305   2.085  -1.700
    3    HB2  CYS  26           HB2      CYS  26   1.333   1.141   0.523
    4    HB3  CYS  26           HB3      CYS  26  -0.329   1.261   1.112

  No H/Q in entry =           4
  In of MODEL   26
    1    H    TYR  27           H        TYR  27  -1.646   2.323  -2.560
    2    HA   TYR  27           HA       TYR  27  -3.723   3.666  -0.952
    3    HB2  TYR  27           HB2      TYR  27  -2.750   4.190  -3.729
    4    HB3  TYR  27           HB3      TYR  27  -4.459   4.410  -3.397
    5    HD1  TYR  27           HD1      TYR  27  -5.208   6.212  -1.877
    6    HD2  TYR  27           HD2      TYR  27  -1.090   5.764  -2.894
    7    HE1  TYR  27           HE1      TYR  27  -4.784   8.526  -1.183
    8    HE2  TYR  27           HE2      TYR  27  -0.665   8.074  -2.182
    9    HH   TYR  27           HH       TYR  27  -2.954   9.916  -0.421

  No H/Q in entry =           9
  In of MODEL   26
    1    H    VAL  28           H        VAL  28  -5.313   2.266  -0.583
    2    HA   VAL  28           HA       VAL  28  -6.066   0.442  -2.774
    3    HB   VAL  28           HB       VAL  28  -6.671  -0.169   0.108
    4   HG11  VAL  28          HG11      VAL  28  -6.357  -1.852  -2.367
    5   HG12  VAL  28          HG12      VAL  28  -6.709  -2.476  -0.757
    6   HG13  VAL  28          HG13      VAL  28  -7.869  -1.428  -1.568
    7   HG21  VAL  28          HG21      VAL  28  -4.123  -0.813  -1.368
    8   HG22  VAL  28          HG22      VAL  28  -4.299   0.049   0.166
    9   HG23  VAL  28          HG23      VAL  28  -4.663  -1.676   0.077

  No H/Q in entry =           9
  In of MODEL   26
    1    H    SER  29           H        SER  29  -7.951   1.083  -3.652
    2    HA   SER  29           HA       SER  29 -10.154   1.876  -1.946
    3    HB2  SER  29           HB2      SER  29  -8.827   3.973  -2.374
    4    HB3  SER  29           HB3      SER  29  -9.175   3.775  -4.090
    5    HG   SER  29           HG       SER  29 -10.940   4.376  -1.968

  No H/Q in entry =           5
  In of MODEL   26
    1    H    GLY  30           H        GLY  30 -12.023   2.674  -3.603
    2    HA2  GLY  30           HA2      GLY  30 -12.023   0.990  -5.997
    3    HA3  GLY  30           HA3      GLY  30 -13.196   2.244  -5.607

  No H/Q in entry =           3
  In of MODEL   26
    1    H    PHE  31           H        PHE  31 -13.183   0.944  -2.790
    2    HA   PHE  31           HA       PHE  31 -14.797  -1.428  -3.475
    3    HB2  PHE  31           HB2      PHE  31 -13.788  -2.586  -1.569
    4    HB3  PHE  31           HB3      PHE  31 -12.517  -1.999  -2.660
    5    HD1  PHE  31           HD1      PHE  31 -11.101  -0.126  -2.036
    6    HD2  PHE  31           HD2      PHE  31 -14.040  -1.632   0.643
    7    HE1  PHE  31           HE1      PHE  31 -10.049   1.106  -0.190
    8    HE2  PHE  31           HE2      PHE  31 -12.982  -0.409   2.496
    9    HZ   PHE  31           HZ       PHE  31 -10.988   0.968   2.076

  No H/Q in entry =           9
  In of MODEL   26
    1    H    HIS  32           H        HIS  32 -15.772  -2.267  -1.283
    2    HA   HIS  32           HA       HIS  32 -16.655  -0.177   0.538
    3    HB2  HIS  32           HB2      HIS  32 -18.700  -1.868  -0.992
    4    HB3  HIS  32           HB3      HIS  32 -19.053  -0.924   0.443
    5    HD2  HIS  32           HD2      HIS  32 -18.481   1.934   0.042
    6    HE1  HIS  32           HE1      HIS  32 -19.508   1.587  -4.047
    7    HE2  HIS  32           HE2      HIS  32 -19.295   3.172  -2.082

  No H/Q in entry =           7
  In of MODEL   26
    1    HA   PRO  33           HA       PRO  33 -19.075  -0.912   2.093
    2    HB2  PRO  33           HB2      PRO  33 -18.108  -1.092   4.883
    3    HB3  PRO  33           HB3      PRO  33 -19.748  -1.243   4.247
    4    HG2  PRO  33           HG2      PRO  33 -18.402  -3.379   5.104
    5    HG3  PRO  33           HG3      PRO  33 -19.463  -3.472   3.684
    6    HD2  PRO  33           HD2      PRO  33 -16.476  -3.286   3.817
    7    HD3  PRO  33           HD3      PRO  33 -17.498  -4.259   2.736

  No H/Q in entry =           7
  In of MODEL   26
    1    H    SER  34           H        SER  34 -16.223  -0.485   4.314
    2    HA   SER  34           HA       SER  34 -15.557   1.998   3.050
    3    HB2  SER  34           HB2      SER  34 -15.905   3.287   5.188
    4    HB3  SER  34           HB3      SER  34 -17.410   2.735   4.452
    5    HG   SER  34           HG       SER  34 -16.048   1.354   6.540

  No H/Q in entry =           5
  In of MODEL   26
    1    H    ASP  35           H        ASP  35 -14.577  -0.733   4.041
    2    HA   ASP  35           HA       ASP  35 -12.218   0.167   5.538
    3    HB2  ASP  35           HB2      ASP  35 -14.079  -2.015   6.504
    4    HB3  ASP  35           HB3      ASP  35 -12.503  -1.661   7.201

  No H/Q in entry =           4
  In of MODEL   26
    1    H    ILE  36           H        ILE  36 -10.408  -0.892   5.054
    2    HA   ILE  36           HA       ILE  36 -10.491  -3.688   4.289
    3    HB   ILE  36           HB       ILE  36 -10.476  -2.285   2.123
    4   HG12  ILE  36          HG12      ILE  36  -8.483  -4.412   2.843
    5   HG13  ILE  36          HG13      ILE  36  -9.910  -4.534   1.826
    6   HG21  ILE  36          HG21      ILE  36  -7.672  -1.758   3.104
    7   HG22  ILE  36          HG22      ILE  36  -8.239  -1.436   1.463
    8   HG23  ILE  36          HG23      ILE  36  -8.927  -0.551   2.823
    9   HD11  ILE  36          HD11      ILE  36  -7.349  -3.131   1.092
   10   HD12  ILE  36          HD12      ILE  36  -7.851  -4.726   0.533
   11   HD13  ILE  36          HD13      ILE  36  -8.769  -3.297   0.059

  No H/Q in entry =          11
  In of MODEL   26
    1    H    GLU  37           H        GLU  37  -8.411  -4.737   4.629
    2    HA   GLU  37           HA       GLU  37  -6.613  -3.165   6.325
    3    HB2  GLU  37           HB2      GLU  37  -7.824  -5.289   7.194
    4    HB3  GLU  37           HB3      GLU  37  -6.705  -6.158   6.154
    5    HG2  GLU  37           HG2      GLU  37  -5.831  -6.147   8.388
    6    HG3  GLU  37           HG3      GLU  37  -4.815  -5.108   7.384

  No H/Q in entry =           6
  In of MODEL   26
    1    H    VAL  38           H        VAL  38  -4.761  -2.660   5.406
    2    HA   VAL  38           HA       VAL  38  -3.597  -4.502   3.467
    3    HB   VAL  38           HB       VAL  38  -3.974  -3.083   1.802
    4   HG11  VAL  38          HG11      VAL  38  -4.560  -0.978   3.853
    5   HG12  VAL  38          HG12      VAL  38  -4.757  -0.761   2.112
    6   HG13  VAL  38          HG13      VAL  38  -5.711  -1.977   2.962
    7   HG21  VAL  38          HG21      VAL  38  -1.962  -1.344   3.223
    8   HG22  VAL  38          HG22      VAL  38  -1.628  -2.581   2.013
    9   HG23  VAL  38          HG23      VAL  38  -2.485  -1.104   1.552

  No H/Q in entry =           9
  In of MODEL   26
    1    H    ASP  39           H        ASP  39  -1.509  -4.820   3.615
    2    HA   ASP  39           HA       ASP  39  -0.052  -3.405   5.745
    3    HB2  ASP  39           HB2      ASP  39   0.066  -5.242   7.023
    4    HB3  ASP  39           HB3      ASP  39  -1.051  -6.024   5.923

  No H/Q in entry =           4
  In of MODEL   26
    1    H    LEU  40           H        LEU  40   2.201  -3.277   5.495
    2    HA   LEU  40           HA       LEU  40   3.020  -3.591   2.699
    3    HB2  LEU  40           HB2      LEU  40   4.466  -1.994   4.805
    4    HB3  LEU  40           HB3      LEU  40   4.655  -1.905   3.066
    5    HG   LEU  40           HG       LEU  40   2.276  -0.938   4.654
    6   HD11  LEU  40          HD11      LEU  40   4.239   0.489   4.859
    7   HD12  LEU  40          HD12      LEU  40   4.389   0.552   3.101
    8   HD13  LEU  40          HD13      LEU  40   2.990   1.276   3.894
    9   HD21  LEU  40          HD21      LEU  40   2.768  -0.915   1.687
   10   HD22  LEU  40          HD22      LEU  40   1.479  -1.758   2.548
   11   HD23  LEU  40          HD23      LEU  40   1.504   0.008   2.506

  No H/Q in entry =          11
  In of MODEL   26
    1    H    LEU  41           H        LEU  41   4.829  -4.718   2.154
    2    HA   LEU  41           HA       LEU  41   5.806  -6.500   4.282
    3    HB2  LEU  41           HB2      LEU  41   5.834  -7.216   1.389
    4    HB3  LEU  41           HB3      LEU  41   5.910  -8.257   2.773
    5    HG   LEU  41           HG       LEU  41   3.451  -6.756   1.917
    6   HD11  LEU  41          HD11      LEU  41   4.102  -8.475   0.314
    7   HD12  LEU  41          HD12      LEU  41   4.193  -9.662   1.614
    8   HD13  LEU  41          HD13      LEU  41   2.645  -8.942   1.185
    9   HD21  LEU  41          HD21      LEU  41   3.880  -8.880   4.015
   10   HD22  LEU  41          HD22      LEU  41   3.538  -7.176   4.314
   11   HD23  LEU  41          HD23      LEU  41   2.326  -8.196   3.541

  No H/Q in entry =          11
  In of MODEL   26
    1    H    LYS  42           H        LYS  42   7.683  -7.765   3.389
    2    HA   LYS  42           HA       LYS  42   9.742  -6.289   2.037
    3    HB2  LYS  42           HB2      LYS  42   9.860  -6.771   4.983
    4    HB3  LYS  42           HB3      LYS  42  11.342  -6.821   4.039
    5    HG2  LYS  42           HG2      LYS  42  11.085  -4.546   3.372
    6    HG3  LYS  42           HG3      LYS  42   9.442  -4.479   4.031
    7    HD2  LYS  42           HD2      LYS  42  10.188  -4.221   6.177
    8    HD3  LYS  42           HD3      LYS  42  11.540  -5.326   5.937
    9    HE2  LYS  42           HE2      LYS  42  11.464  -2.510   4.882
   10    HE3  LYS  42           HE3      LYS  42  12.195  -2.971   6.418
   11    HZ1  LYS  42           HZ1      LYS  42  13.578  -4.578   5.072
   12    HZ2  LYS  42           HZ2      LYS  42  13.047  -3.752   3.686
   13    HZ3  LYS  42           HZ3      LYS  42  13.937  -2.935   4.873

  No H/Q in entry =          13
  In of MODEL   26
    1    H    ASN  43           H        ASN  43  10.117  -7.882   0.600
    2    HA   ASN  43           HA       ASN  43  10.589  -9.900  -0.318
    3    HB2  ASN  43           HB2      ASN  43  11.831 -10.205   2.380
    4    HB3  ASN  43           HB3      ASN  43  11.728 -11.611   1.325
    5   HD21  ASN  43          HD21      ASN  43  13.127  -8.449   1.766
    6   HD22  ASN  43          HD22      ASN  43  14.327  -8.598   0.530

  No H/Q in entry =           6
  In of MODEL   26
    1    H    GLY  44           H        GLY  44   8.492  -9.668   2.280
    2    HA2  GLY  44           HA2      GLY  44   7.415 -12.360   1.947
    3    HA3  GLY  44           HA3      GLY  44   6.386 -11.010   1.432

  No H/Q in entry =           3
  In of MODEL   26
    1    H    GLU  45           H        GLU  45   8.261  -9.927   3.950
    2    HA   GLU  45           HA       GLU  45   6.557 -11.039   6.048
    3    HB2  GLU  45           HB2      GLU  45   9.166  -9.549   6.208
    4    HB3  GLU  45           HB3      GLU  45   8.321 -10.273   7.572
    5    HG2  GLU  45           HG2      GLU  45   8.575 -12.477   6.468
    6    HG3  GLU  45           HG3      GLU  45   9.538 -11.691   5.219

  No H/Q in entry =           6
  In of MODEL   26
    1    H    ARG  46           H        ARG  46   5.381  -9.798   7.413
    2    HA   ARG  46           HA       ARG  46   4.424  -7.302   6.536
    3    HB2  ARG  46           HB2      ARG  46   3.046  -8.841   7.791
    4    HB3  ARG  46           HB3      ARG  46   4.144  -8.773   9.153
    5    HG2  ARG  46           HG2      ARG  46   3.432  -6.684   9.770
    6    HG3  ARG  46           HG3      ARG  46   2.764  -6.329   8.164
    7    HD2  ARG  46           HD2      ARG  46   1.667  -8.350  10.133
    8    HD3  ARG  46           HD3      ARG  46   0.896  -6.851   9.637
    9    HE   ARG  46           HE       ARG  46   1.254  -8.156   7.301
   10   HH11  ARG  46          HH11      ARG  46  -0.300  -8.950  10.343
   11   HH12  ARG  46          HH12      ARG  46  -1.480  -9.999   9.615
   12   HH21  ARG  46          HH21      ARG  46  -0.303  -9.503   6.339
   13   HH22  ARG  46          HH22      ARG  46  -1.481 -10.320   7.332

  No H/Q in entry =          13
  In of MODEL   26
    1    H    ILE  47           H        ILE  47   4.937  -5.275   7.044
    2    HA   ILE  47           HA       ILE  47   7.186  -4.753   8.839
    3    HB   ILE  47           HB       ILE  47   5.703  -2.891   6.972
    4   HG12  ILE  47          HG12      ILE  47   8.431  -4.116   6.622
    5   HG13  ILE  47          HG13      ILE  47   6.975  -4.769   5.876
    6   HG21  ILE  47          HG21      ILE  47   8.273  -2.518   8.507
    7   HG22  ILE  47          HG22      ILE  47   7.629  -1.391   7.312
    8   HG23  ILE  47          HG23      ILE  47   6.740  -1.694   8.808
    9   HD11  ILE  47          HD11      ILE  47   8.100  -2.016   5.423
   10   HD12  ILE  47          HD12      ILE  47   8.237  -3.388   4.321
   11   HD13  ILE  47          HD13      ILE  47   6.655  -2.684   4.664

  No H/Q in entry =          11
  In of MODEL   26
    1    H    GLU  48           H        GLU  48   6.981  -3.563  10.699
    2    HA   GLU  48           HA       GLU  48   4.279  -3.199  11.685
    3    HB2  GLU  48           HB2      GLU  48   5.806  -2.446  13.765
    4    HB3  GLU  48           HB3      GLU  48   5.359  -4.116  13.451
    5    HG2  GLU  48           HG2      GLU  48   7.913  -2.883  12.481
    6    HG3  GLU  48           HG3      GLU  48   7.760  -3.660  14.047

  No H/Q in entry =           6
  In of MODEL   26
    1    H    LYS  49           H        LYS  49   7.173  -1.218  11.087
    2    HA   LYS  49           HA       LYS  49   6.309   1.161  12.143
    3    HB2  LYS  49           HB2      LYS  49   8.047   0.707   9.750
    4    HB3  LYS  49           HB3      LYS  49   7.964   2.210  10.680
    5    HG2  LYS  49           HG2      LYS  49   8.565   0.839  12.707
    6    HG3  LYS  49           HG3      LYS  49   8.960  -0.459  11.605
    7    HD2  LYS  49           HD2      LYS  49  10.517   1.288  10.457
    8    HD3  LYS  49           HD3      LYS  49  10.314   2.199  11.949
    9    HE2  LYS  49           HE2      LYS  49  12.344   0.892  12.034
   10    HE3  LYS  49           HE3      LYS  49  11.190   0.267  13.212
   11    HZ1  LYS  49           HZ1      LYS  49  11.608  -0.883  10.504
   12    HZ2  LYS  49           HZ2      LYS  49  12.336  -1.471  11.918
   13    HZ3  LYS  49           HZ3      LYS  49  10.651  -1.527  11.744

  No H/Q in entry =          13
  In of MODEL   26
    1    H    VAL  50           H        VAL  50   4.758  -0.407   9.701
    2    HA   VAL  50           HA       VAL  50   4.033   1.698   7.973
    3    HB   VAL  50           HB       VAL  50   2.466  -0.773   8.702
    4   HG11  VAL  50          HG11      VAL  50   1.138   1.003   7.602
    5   HG12  VAL  50          HG12      VAL  50   2.277   0.978   6.252
    6   HG13  VAL  50          HG13      VAL  50   1.303  -0.448   6.606
    7   HG21  VAL  50          HG21      VAL  50   4.724  -1.265   7.896
    8   HG22  VAL  50          HG22      VAL  50   3.496  -1.772   6.742
    9   HG23  VAL  50          HG23      VAL  50   4.414  -0.298   6.455

  No H/Q in entry =           9
  In of MODEL   26
    1    H    GLU  51           H        GLU  51   2.468   3.204   8.072
    2    HA   GLU  51           HA       GLU  51   0.636   3.145  10.363
    3    HB2  GLU  51           HB2      GLU  51   2.067   5.616   9.369
    4    HB3  GLU  51           HB3      GLU  51   0.905   5.538  10.690
    5    HG2  GLU  51           HG2      GLU  51   2.402   4.284  12.035
    6    HG3  GLU  51           HG3      GLU  51   3.537   4.094  10.696

  No H/Q in entry =           6
  In of MODEL   26
    1    H    HIS  52           H        HIS  52  -1.365   3.848   9.952
    2    HA   HIS  52           HA       HIS  52  -1.944   4.841   7.249
    3    HB2  HIS  52           HB2      HIS  52  -4.287   4.114   7.632
    4    HB3  HIS  52           HB3      HIS  52  -3.135   2.788   7.643
    5    HD2  HIS  52           HD2      HIS  52  -2.501   1.913  10.394
    6    HE1  HIS  52           HE1      HIS  52  -6.283   3.219  11.761
    7    HE2  HIS  52           HE2      HIS  52  -4.364   1.624  12.179

  No H/Q in entry =           7
  In of MODEL   26
    1    H    SER  53           H        SER  53  -2.689   6.835   7.021
    2    HA   SER  53           HA       SER  53  -2.910   8.521   9.344
    3    HB2  SER  53           HB2      SER  53  -1.889   9.197   7.103
    4    HB3  SER  53           HB3      SER  53  -3.539   9.279   6.483
    5    HG   SER  53           HG       SER  53  -2.175  11.055   8.019

  No H/Q in entry =           5
  In of MODEL   26
    1    H    ASP  54           H        ASP  54  -4.828  10.159   9.286
    2    HA   ASP  54           HA       ASP  54  -7.162   8.797   9.968
    3    HB2  ASP  54           HB2      ASP  54  -6.588  11.076  10.737
    4    HB3  ASP  54           HB3      ASP  54  -6.891  11.687   9.115

  No H/Q in entry =           4
  In of MODEL   26
    1    H    LEU  55           H        LEU  55  -8.513   7.762   8.778
    2    HA   LEU  55           HA       LEU  55  -8.473   6.861   6.397
    3    HB2  LEU  55           HB2      LEU  55 -10.353   6.567   8.009
    4    HB3  LEU  55           HB3      LEU  55 -11.101   7.993   7.320
    5    HG   LEU  55           HG       LEU  55 -11.102   6.813   5.089
    6   HD11  LEU  55          HD11      LEU  55  -9.376   5.148   5.605
    7   HD12  LEU  55          HD12      LEU  55 -10.462   4.391   6.770
    8   HD13  LEU  55          HD13      LEU  55 -10.875   4.400   5.056
    9   HD21  LEU  55          HD21      LEU  55 -13.107   7.001   6.487
   10   HD22  LEU  55          HD22      LEU  55 -13.072   5.485   5.587
   11   HD23  LEU  55          HD23      LEU  55 -12.675   5.498   7.305

  No H/Q in entry =          11
  In of MODEL   26
    1    H    SER  56           H        SER  56 -11.122   9.035   5.959
    2    HA   SER  56           HA       SER  56  -9.883  11.013   4.363
    3    HB2  SER  56           HB2      SER  56 -11.072   8.625   2.938
    4    HB3  SER  56           HB3      SER  56 -11.012  10.217   2.182
    5    HG   SER  56           HG       SER  56  -8.702   9.040   3.291

  No H/Q in entry =           5
  In of MODEL   26
    1    H    PHE  57           H        PHE  57 -11.470  12.445   3.420
    2    HA   PHE  57           HA       PHE  57 -14.075  12.264   4.739
    3    HB2  PHE  57           HB2      PHE  57 -14.340  14.633   3.977
    4    HB3  PHE  57           HB3      PHE  57 -12.942  14.384   5.014
    5    HD1  PHE  57           HD1      PHE  57 -14.095  15.292   1.690
    6    HD2  PHE  57           HD2      PHE  57 -10.676  14.467   4.088
    7    HE1  PHE  57           HE1      PHE  57 -12.654  16.336  -0.009
    8    HE2  PHE  57           HE2      PHE  57  -9.231  15.506   2.391
    9    HZ   PHE  57           HZ       PHE  57 -10.219  16.444   0.339

  No H/Q in entry =           9
  In of MODEL   26
    1    H    SER  58           H        SER  58 -16.024  12.724   3.480
    2    HA   SER  58           HA       SER  58 -16.299  11.218   1.158
    3    HB2  SER  58           HB2      SER  58 -18.025  13.580   1.936
    4    HB3  SER  58           HB3      SER  58 -18.506  12.157   1.009
    5    HG   SER  58           HG       SER  58 -18.935  11.207   2.828

  No H/Q in entry =           5
  In of MODEL   26
    1    H    LYS  59           H        LYS  59 -15.995  11.672  -0.985
    2    HA   LYS  59           HA       LYS  59 -15.166  14.387  -1.686
    3    HB2  LYS  59           HB2      LYS  59 -13.120  13.268  -1.024
    4    HB3  LYS  59           HB3      LYS  59 -13.483  11.908  -2.073
    5    HG2  LYS  59           HG2      LYS  59 -11.772  13.336  -3.034
    6    HG3  LYS  59           HG3      LYS  59 -13.227  13.323  -4.032
    7    HD2  LYS  59           HD2      LYS  59 -13.909  15.462  -2.972
    8    HD3  LYS  59           HD3      LYS  59 -12.372  15.488  -2.108
    9    HE2  LYS  59           HE2      LYS  59 -12.413  16.882  -4.179
   10    HE3  LYS  59           HE3      LYS  59 -11.142  15.659  -4.157
   11    HZ1  LYS  59           HZ1      LYS  59 -13.763  15.365  -5.537
   12    HZ2  LYS  59           HZ2      LYS  59 -12.309  15.794  -6.298
   13    HZ3  LYS  59           HZ3      LYS  59 -12.469  14.266  -5.583

  No H/Q in entry =          13
  In of MODEL   26
    1    H    ASP  60           H        ASP  60 -14.816  11.290  -3.417
    2    HA   ASP  60           HA       ASP  60 -16.221  12.553  -5.666
    3    HB2  ASP  60           HB2      ASP  60 -13.973  11.935  -6.236
    4    HB3  ASP  60           HB3      ASP  60 -14.170  10.335  -5.533

  No H/Q in entry =           4
  In of MODEL   26
    1    H    TRP  61           H        TRP  61 -15.661   9.251  -4.538
    2    HA   TRP  61           HA       TRP  61 -18.433   8.667  -4.206
    3    HB2  TRP  61           HB2      TRP  61 -18.265   8.573  -6.682
    4    HB3  TRP  61           HB3      TRP  61 -16.973   7.386  -6.539
    5    HD1  TRP  61           HD1      TRP  61 -20.738   7.742  -5.723
    6    HE1  TRP  61           HE1      TRP  61 -21.812   5.405  -5.837
    7    HE3  TRP  61           HE3      TRP  61 -16.527   4.969  -6.559
    8    HZ2  TRP  61           HZ2      TRP  61 -20.979   2.738  -6.239
    9    HZ3  TRP  61           HZ3      TRP  61 -16.737   2.535  -6.800
   10    HH2  TRP  61           HH2      TRP  61 -18.947   1.429  -6.640

  No H/Q in entry =          10
  In of MODEL   26
    1    H    SER  62           H        SER  62 -15.317   7.197  -5.031
    2    HA   SER  62           HA       SER  62 -15.594   5.142  -3.042
    3    HB2  SER  62           HB2      SER  62 -13.233   6.018  -4.738
    4    HB3  SER  62           HB3      SER  62 -13.234   4.588  -3.698
    5    HG   SER  62           HG       SER  62 -14.809   5.107  -6.003

  No H/Q in entry =           5
  In of MODEL   26
    1    H    PHE  63           H        PHE  63 -14.772   5.127  -1.022
    2    HA   PHE  63           HA       PHE  63 -13.483   7.527   0.003
    3    HB2  PHE  63           HB2      PHE  63 -14.153   4.941   1.451
    4    HB3  PHE  63           HB3      PHE  63 -13.690   6.462   2.197
    5    HD1  PHE  63           HD1      PHE  63 -16.350   4.946   0.065
    6    HD2  PHE  63           HD2      PHE  63 -15.339   7.932   2.937
    7    HE1  PHE  63           HE1      PHE  63 -18.739   5.513   0.313
    8    HE2  PHE  63           HE2      PHE  63 -17.733   8.506   3.181
    9    HZ   PHE  63           HZ       PHE  63 -19.421   7.294   1.863

  No H/Q in entry =           9
  In of MODEL   26
    1    H    TYR  64           H        TYR  64 -11.383   7.534   0.875
    2    HA   TYR  64           HA       TYR  64  -9.692   5.497  -0.403
    3    HB2  TYR  64           HB2      TYR  64  -8.888   8.261   0.535
    4    HB3  TYR  64           HB3      TYR  64  -7.960   7.184  -0.497
    5    HD1  TYR  64           HD1      TYR  64  -8.689   6.788  -2.842
    6    HD2  TYR  64           HD2      TYR  64 -10.577   9.690  -0.366
    7    HE1  TYR  64           HE1      TYR  64  -9.660   7.855  -4.838
    8    HE2  TYR  64           HE2      TYR  64 -11.550  10.764  -2.352
    9    HH   TYR  64           HH       TYR  64 -11.528   9.293  -5.436

  No H/Q in entry =           9
  In of MODEL   26
    1    H    LEU  65           H        LEU  65  -8.074   4.469   0.750
    2    HA   LEU  65           HA       LEU  65  -7.614   5.299   3.516
    3    HB2  LEU  65           HB2      LEU  65  -9.132   3.508   3.821
    4    HB3  LEU  65           HB3      LEU  65  -8.374   2.534   2.580
    5    HG   LEU  65           HG       LEU  65  -6.738   3.164   4.995
    6   HD11  LEU  65          HD11      LEU  65  -9.049   2.642   5.803
    7   HD12  LEU  65          HD12      LEU  65  -8.890   1.070   5.022
    8   HD13  LEU  65          HD13      LEU  65  -7.799   1.518   6.331
    9   HD21  LEU  65          HD21      LEU  65  -5.872   1.821   3.129
   10   HD22  LEU  65          HD22      LEU  65  -5.979   0.888   4.621
   11   HD23  LEU  65          HD23      LEU  65  -7.192   0.673   3.358

  No H/Q in entry =          11
  In of MODEL   26
    1    H    LEU  66           H        LEU  66  -5.525   5.298   4.091
    2    HA   LEU  66           HA       LEU  66  -3.642   4.554   1.958
    3    HB2  LEU  66           HB2      LEU  66  -4.240   7.061   2.669
    4    HB3  LEU  66           HB3      LEU  66  -3.025   6.732   3.868
    5    HG   LEU  66           HG       LEU  66  -2.591   6.570   0.897
    6   HD11  LEU  66          HD11      LEU  66  -1.714   8.639   2.908
    7   HD12  LEU  66          HD12      LEU  66  -1.227   8.585   1.216
    8   HD13  LEU  66          HD13      LEU  66  -2.915   8.862   1.639
    9   HD21  LEU  66          HD21      LEU  66  -0.681   6.261   3.197
   10   HD22  LEU  66          HD22      LEU  66  -1.137   5.028   2.025
   11   HD23  LEU  66          HD23      LEU  66  -0.197   6.431   1.513

  No H/Q in entry =          11
  In of MODEL   26
    1    H    TYR  67           H        TYR  67  -1.966   3.319   2.514
    2    HA   TYR  67           HA       TYR  67  -1.146   3.191   5.337
    3    HB2  TYR  67           HB2      TYR  67  -1.727   0.986   3.442
    4    HB3  TYR  67           HB3      TYR  67  -0.342   0.789   4.508
    5    HD1  TYR  67           HD1      TYR  67  -3.980   0.813   4.294
    6    HD2  TYR  67           HD2      TYR  67  -0.653   0.726   6.949
    7    HE1  TYR  67           HE1      TYR  67  -5.426  -0.021   6.076
    8    HE2  TYR  67           HE2      TYR  67  -2.110  -0.096   8.755
    9    HH   TYR  67           HH       TYR  67  -5.027  -1.428   8.307

  No H/Q in entry =           9
  In of MODEL   26
    1    H    TYR  68           H        TYR  68   0.843   3.942   5.607
    2    HA   TYR  68           HA       TYR  68   2.786   3.562   3.432
    3    HB2  TYR  68           HB2      TYR  68   3.525   5.899   3.548
    4    HB3  TYR  68           HB3      TYR  68   1.823   5.805   3.085
    5    HD1  TYR  68           HD1      TYR  68   0.076   6.494   4.695
    6    HD2  TYR  68           HD2      TYR  68   4.213   6.954   5.569
    7    HE1  TYR  68           HE1      TYR  68  -0.487   8.099   6.469
    8    HE2  TYR  68           HE2      TYR  68   3.666   8.549   7.354
    9    HH   TYR  68           HH       TYR  68   1.839  10.067   7.976

  No H/Q in entry =           9
  In of MODEL   26
    1    H    THR  69           H        THR  69   5.014   4.146   4.094
    2    HA   THR  69           HA       THR  69   5.549   4.230   6.945
    3    HB   THR  69           HB       THR  69   5.226   1.797   6.482
    4    HG1  THR  69           HG1      THR  69   6.664   2.477   8.135
    5   HG21  THR  69          HG21      THR  69   7.587   2.195   4.645
    6   HG22  THR  69          HG22      THR  69   7.049   0.624   5.230
    7   HG23  THR  69          HG23      THR  69   5.981   1.596   4.217

  No H/Q in entry =           7
  In of MODEL   26
    1    H    GLU  70           H        GLU  70   7.639   4.911   7.422
    2    HA   GLU  70           HA       GLU  70   9.173   6.017   5.207
    3    HB2  GLU  70           HB2      GLU  70   8.786   7.337   7.308
    4    HB3  GLU  70           HB3      GLU  70   9.686   6.117   8.201
    5    HG2  GLU  70           HG2      GLU  70  11.636   6.645   6.679
    6    HG3  GLU  70           HG3      GLU  70  10.708   8.038   6.139

  No H/Q in entry =           6
  In of MODEL   26
    1    H    PHE  71           H        PHE  71  11.097   5.126   4.491
    2    HA   PHE  71           HA       PHE  71  12.120   2.767   5.829
    3    HB2  PHE  71           HB2      PHE  71  11.815   1.273   3.914
    4    HB3  PHE  71           HB3      PHE  71  10.261   1.841   4.504
    5    HD1  PHE  71           HD1      PHE  71  10.464   4.607   3.139
    6    HD2  PHE  71           HD2      PHE  71  11.071   0.635   1.761
    7    HE1  PHE  71           HE1      PHE  71   9.854   5.304   0.875
    8    HE2  PHE  71           HE2      PHE  71  10.470   1.326  -0.524
    9    HZ   PHE  71           HZ       PHE  71   9.871   3.678  -0.985

  No H/Q in entry =           9
  In of MODEL   26
    1    H    THR  72           H        THR  72  14.096   1.948   4.749
    2    HA   THR  72           HA       THR  72  15.361   3.977   3.026
    3    HB   THR  72           HB       THR  72  16.794   2.108   4.926
    4    HG1  THR  72           HG1      THR  72  15.377   4.280   5.516
    5   HG21  THR  72          HG21      THR  72  18.147   2.904   3.041
    6   HG22  THR  72          HG22      THR  72  17.724   4.574   3.434
    7   HG23  THR  72          HG23      THR  72  18.695   3.619   4.557

  No H/Q in entry =           7
  In of MODEL   26
    1    HA   PRO  73           HA       PRO  73  14.816   0.167   0.384
    2    HB2  PRO  73           HB2      PRO  73  15.602   1.721  -1.846
    3    HB3  PRO  73           HB3      PRO  73  13.942   1.321  -1.381
    4    HG2  PRO  73           HG2      PRO  73  15.521   3.792  -0.859
    5    HG3  PRO  73           HG3      PRO  73  13.785   3.621  -1.187
    6    HD2  PRO  73           HD2      PRO  73  14.681   4.110   1.287
    7    HD3  PRO  73           HD3      PRO  73  13.312   3.002   1.013

  No H/Q in entry =           7
  In of MODEL   26
    1    H    THR  74           H        THR  74  16.311  -1.181  -0.384
    2    HA   THR  74           HA       THR  74  19.071  -0.274  -0.670
    3    HB   THR  74           HB       THR  74  19.940  -2.175   0.610
    4    HG1  THR  74           HG1      THR  74  17.166  -2.706   1.019
    5   HG21  THR  74          HG21      THR  74  17.943  -0.563   2.191
    6   HG22  THR  74          HG22      THR  74  19.295  -1.468   2.866
    7   HG23  THR  74          HG23      THR  74  19.599  -0.082   1.817

  No H/Q in entry =           7
  In of MODEL   26
    1    H    GLU  75           H        GLU  75  20.423  -2.120  -1.634
    2    HA   GLU  75           HA       GLU  75  19.144  -3.220  -3.910
    3    HB2  GLU  75           HB2      GLU  75  21.616  -2.649  -3.596
    4    HB3  GLU  75           HB3      GLU  75  21.753  -4.137  -2.694
    5    HG2  GLU  75           HG2      GLU  75  20.643  -4.264  -5.442
    6    HG3  GLU  75           HG3      GLU  75  22.362  -3.978  -5.219

  No H/Q in entry =           6
  In of MODEL   26
    1    H    LYS  76           H        LYS  76  20.236  -4.566  -0.842
    2    HA   LYS  76           HA       LYS  76  19.664  -7.227  -1.535
    3    HB2  LYS  76           HB2      LYS  76  20.260  -5.948   1.129
    4    HB3  LYS  76           HB3      LYS  76  20.253  -7.682   0.822
    5    HG2  LYS  76           HG2      LYS  76  22.119  -5.644  -0.407
    6    HG3  LYS  76           HG3      LYS  76  22.532  -6.901   0.773
    7    HD2  LYS  76           HD2      LYS  76  22.035  -8.624  -0.820
    8    HD3  LYS  76           HD3      LYS  76  21.404  -7.434  -1.963
    9    HE2  LYS  76           HE2      LYS  76  23.686  -6.391  -1.985
   10    HE3  LYS  76           HE3      LYS  76  24.257  -7.768  -1.042
   11    HZ1  LYS  76           HZ1      LYS  76  23.433  -9.210  -2.882
   12    HZ2  LYS  76           HZ2      LYS  76  23.134  -7.802  -3.789
   13    HZ3  LYS  76           HZ3      LYS  76  24.718  -8.185  -3.319

  No H/Q in entry =          13
  In of MODEL   26
    1    H    ASP  77           H        ASP  77  17.760  -4.703  -0.068
    2    HA   ASP  77           HA       ASP  77  15.832  -6.737   0.802
    3    HB2  ASP  77           HB2      ASP  77  15.425  -5.422   2.614
    4    HB3  ASP  77           HB3      ASP  77  16.850  -4.523   2.130

  No H/Q in entry =           4
  In of MODEL   26
    1    H    GLU  78           H        GLU  78  13.486  -5.662   0.813
    2    HA   GLU  78           HA       GLU  78  12.709  -4.448  -1.667
    3    HB2  GLU  78           HB2      GLU  78  13.434  -6.732  -2.390
    4    HB3  GLU  78           HB3      GLU  78  12.178  -7.423  -1.383
    5    HG2  GLU  78           HG2      GLU  78  11.389  -7.397  -3.627
    6    HG3  GLU  78           HG3      GLU  78  10.508  -6.128  -2.787

  No H/Q in entry =           6
  In of MODEL   26
    1    H    TYR  79           H        TYR  79  10.481  -3.956  -1.657
    2    HA   TYR  79           HA       TYR  79   9.076  -4.702   0.797
    3    HB2  TYR  79           HB2      TYR  79   8.824  -1.939  -0.424
    4    HB3  TYR  79           HB3      TYR  79   8.259  -2.508   1.146
    5    HD1  TYR  79           HD1      TYR  79   9.392  -1.805   2.988
    6    HD2  TYR  79           HD2      TYR  79  11.538  -2.213  -0.666
    7    HE1  TYR  79           HE1      TYR  79  11.419  -0.951   4.078
    8    HE2  TYR  79           HE2      TYR  79  13.577  -1.391   0.444
    9    HH   TYR  79           HH       TYR  79  14.319  -0.227   2.285

  No H/Q in entry =           9
  In of MODEL   26
    1    H    ALA  80           H        ALA  80   6.821  -4.773   0.707
    2    HA   ALA  80           HA       ALA  80   5.656  -4.711  -2.005
    3    HB1  ALA  80           HB1      ALA  80   6.449  -7.039  -1.369
    4    HB2  ALA  80           HB2      ALA  80   4.765  -6.886  -1.881
    5    HB3  ALA  80           HB3      ALA  80   5.159  -7.031  -0.169

  No H/Q in entry =           5
  In of MODEL   26
    1    H    CYS  81           H        CYS  81   3.252  -4.816  -2.009
    2    HA   CYS  81           HA       CYS  81   2.114  -3.787   0.500
    3    HB2  CYS  81           HB2      CYS  81   1.701  -3.085  -2.356
    4    HB3  CYS  81           HB3      CYS  81   0.271  -3.108  -1.331

  No H/Q in entry =           4
  In of MODEL   26
    1    H    ARG  82           H        ARG  82   0.533  -4.978   1.421
    2    HA   ARG  82           HA       ARG  82  -0.696  -7.166  -0.159
    3    HB2  ARG  82           HB2      ARG  82   0.795  -7.759   1.877
    4    HB3  ARG  82           HB3      ARG  82  -0.504  -7.066   2.841
    5    HG2  ARG  82           HG2      ARG  82  -2.065  -8.701   1.794
    6    HG3  ARG  82           HG3      ARG  82  -0.662  -9.469   1.046
    7    HD2  ARG  82           HD2      ARG  82  -1.155  -9.128   4.005
    8    HD3  ARG  82           HD3      ARG  82  -1.265 -10.632   3.100
    9    HE   ARG  82           HE       ARG  82   1.194  -9.167   3.740
   10   HH11  ARG  82          HH11      ARG  82  -0.428 -12.070   2.612
   11   HH12  ARG  82          HH12      ARG  82   1.030 -13.017   2.568
   12   HH21  ARG  82          HH21      ARG  82   3.104 -10.448   3.705
   13   HH22  ARG  82          HH22      ARG  82   3.017 -12.105   3.201

  No H/Q in entry =          13
  In of MODEL   26
    1    H    VAL  83           H        VAL  83  -2.931  -7.170  -0.244
    2    HA   VAL  83           HA       VAL  83  -4.298  -5.652   1.874
    3    HB   VAL  83           HB       VAL  83  -5.813  -4.585   0.529
    4   HG11  VAL  83          HG11      VAL  83  -3.277  -4.653  -1.041
    5   HG12  VAL  83          HG12      VAL  83  -4.569  -3.472  -1.249
    6   HG13  VAL  83          HG13      VAL  83  -3.698  -3.568   0.283
    7   HG21  VAL  83          HG21      VAL  83  -5.092  -6.435  -1.733
    8   HG22  VAL  83          HG22      VAL  83  -6.581  -6.458  -0.788
    9   HG23  VAL  83          HG23      VAL  83  -6.225  -5.087  -1.840

  No H/Q in entry =           9
  In of MODEL   26
    1    H    ASN  84           H        ASN  84  -6.074  -6.494   2.676
    2    HA   ASN  84           HA       ASN  84  -6.882  -9.143   1.702
    3    HB2  ASN  84           HB2      ASN  84  -6.996  -8.168   4.569
    4    HB3  ASN  84           HB3      ASN  84  -7.296  -9.802   3.998
    5   HD21  ASN  84          HD21      ASN  84  -4.786  -7.344   4.323
    6   HD22  ASN  84          HD22      ASN  84  -3.471  -8.458   4.447

  No H/Q in entry =           6
  In of MODEL   26
    1    H    HIS  85           H        HIS  85  -8.933  -9.164   0.918
    2    HA   HIS  85           HA       HIS  85 -10.990  -7.853   2.494
    3    HB2  HIS  85           HB2      HIS  85 -10.170  -6.427   0.414
    4    HB3  HIS  85           HB3      HIS  85 -11.141  -7.584  -0.484
    5    HD2  HIS  85           HD2      HIS  85 -11.715  -4.965   2.413
    6    HE1  HIS  85           HE1      HIS  85 -15.312  -5.639   0.294
    7    HE2  HIS  85           HE2      HIS  85 -14.114  -4.115   1.923

  No H/Q in entry =           7
  In of MODEL   26
    1    H    VAL  86           H        VAL  86 -13.173  -8.655   1.768
    2    HA   VAL  86           HA       VAL  86 -13.079 -11.485   1.630
    3    HB   VAL  86           HB       VAL  86 -15.507 -11.428   1.606
    4   HG11  VAL  86          HG11      VAL  86 -14.360 -11.064   3.730
    5   HG12  VAL  86          HG12      VAL  86 -14.379  -9.322   3.444
    6   HG13  VAL  86          HG13      VAL  86 -15.893 -10.197   3.669
    7   HG21  VAL  86          HG21      VAL  86 -15.808  -9.589   0.013
    8   HG22  VAL  86          HG22      VAL  86 -16.758  -9.345   1.479
    9   HG23  VAL  86          HG23      VAL  86 -15.262  -8.444   1.237

  No H/Q in entry =           9
  In of MODEL   26
    1    H    THR  87           H        THR  87 -13.254  -8.997  -0.786
    2    HA   THR  87           HA       THR  87 -14.570 -10.506  -2.775
    3    HB   THR  87           HB       THR  87 -13.859  -8.750  -4.308
    4    HG1  THR  87           HG1      THR  87 -11.827  -8.182  -3.855
    5   HG21  THR  87          HG21      THR  87 -15.658  -8.287  -2.621
    6   HG22  THR  87          HG22      THR  87 -14.438  -7.468  -1.644
    7   HG23  THR  87          HG23      THR  87 -14.844  -6.856  -3.247

  No H/Q in entry =           7
  In of MODEL   26
    1    H    LEU  88           H        LEU  88 -11.187  -9.809  -2.104
    2    HA   LEU  88           HA       LEU  88 -10.185 -11.215  -4.352
    3    HB2  LEU  88           HB2      LEU  88  -8.847 -10.350  -1.778
    4    HB3  LEU  88           HB3      LEU  88  -7.987 -11.078  -3.121
    5    HG   LEU  88           HG       LEU  88  -9.409  -8.416  -3.104
    6   HD11  LEU  88          HD11      LEU  88  -7.190  -8.439  -2.042
    7   HD12  LEU  88          HD12      LEU  88  -6.495  -9.121  -3.522
    8   HD13  LEU  88          HD13      LEU  88  -7.201  -7.498  -3.540
    9   HD21  LEU  88          HD21      LEU  88  -8.103  -9.881  -5.392
   10   HD22  LEU  88          HD22      LEU  88  -9.812  -9.478  -5.231
   11   HD23  LEU  88          HD23      LEU  88  -8.620  -8.194  -5.430

  No H/Q in entry =          11
  In of MODEL   26
    1    H    SER  89           H        SER  89 -10.072 -13.330  -4.616
    2    HA   SER  89           HA       SER  89 -11.017 -15.223  -2.805
    3    HB2  SER  89           HB2      SER  89  -9.951 -16.889  -4.355
    4    HB3  SER  89           HB3      SER  89 -10.947 -15.688  -5.174
    5    HG   SER  89           HG       SER  89  -9.232 -14.926  -6.159

  No H/Q in entry =           5
  In of MODEL   26
    1    H    GLN  90           H        GLN  90  -7.822 -13.962  -3.340
    2    HA   GLN  90           HA       GLN  90  -6.977 -14.965  -0.757
    3    HB2  GLN  90           HB2      GLN  90  -4.759 -14.926  -2.652
    4    HB3  GLN  90           HB3      GLN  90  -5.237 -16.200  -1.539
    5    HG2  GLN  90           HG2      GLN  90  -5.441 -17.290  -3.533
    6    HG3  GLN  90           HG3      GLN  90  -7.073 -16.656  -3.335
    7   HE21  GLN  90          HE21      GLN  90  -6.073 -13.917  -3.977
    8   HE22  GLN  90          HE22      GLN  90  -6.039 -13.935  -5.707

  No H/Q in entry =           8
  In of MODEL   26
    1    HA   PRO  91           HA       PRO  91  -5.842 -10.601  -0.332
    2    HB2  PRO  91           HB2      PRO  91  -3.415 -11.960   0.827
    3    HB3  PRO  91           HB3      PRO  91  -4.268 -10.505   1.391
    4    HG2  PRO  91           HG2      PRO  91  -4.745 -12.791   2.593
    5    HG3  PRO  91           HG3      PRO  91  -6.109 -11.730   2.154
    6    HD2  PRO  91           HD2      PRO  91  -5.167 -14.277   0.860
    7    HD3  PRO  91           HD3      PRO  91  -6.840 -13.668   1.054

  No H/Q in entry =           7
  In of MODEL   26
    1    H    LYS  92           H        LYS  92  -4.275  -9.140  -1.173
    2    HA   LYS  92           HA       LYS  92  -2.999 -10.318  -3.541
    3    HB2  LYS  92           HB2      LYS  92  -5.006  -8.879  -3.959
    4    HB3  LYS  92           HB3      LYS  92  -4.105  -7.529  -3.278
    5    HG2  LYS  92           HG2      LYS  92  -3.943  -7.463  -5.677
    6    HG3  LYS  92           HG3      LYS  92  -2.365  -7.877  -4.984
    7    HD2  LYS  92           HD2      LYS  92  -2.639  -9.381  -6.757
    8    HD3  LYS  92           HD3      LYS  92  -3.048 -10.298  -5.301
    9    HE2  LYS  92           HE2      LYS  92  -4.685 -10.812  -6.961
   10    HE3  LYS  92           HE3      LYS  92  -5.454  -9.782  -5.757
   11    HZ1  LYS  92           HZ1      LYS  92  -5.076  -7.883  -7.255
   12    HZ2  LYS  92           HZ2      LYS  92  -4.445  -8.941  -8.418
   13    HZ3  LYS  92           HZ3      LYS  92  -6.069  -9.068  -7.948

  No H/Q in entry =          13
  In of MODEL   26
    1    H    ILE  93           H        ILE  93  -0.894 -10.031  -3.756
    2    HA   ILE  93           HA       ILE  93   0.372  -7.851  -2.230
    3    HB   ILE  93           HB       ILE  93   1.556 -10.475  -3.129
    4   HG12  ILE  93          HG12      ILE  93   2.096 -10.550  -0.591
    5   HG13  ILE  93          HG13      ILE  93   0.850  -9.323  -0.446
    6   HG21  ILE  93          HG21      ILE  93   3.175  -8.689  -3.464
    7   HG22  ILE  93          HG22      ILE  93   2.952  -8.167  -1.791
    8   HG23  ILE  93          HG23      ILE  93   3.659  -9.746  -2.136
    9   HD11  ILE  93          HD11      ILE  93   0.480 -12.073  -1.601
   10   HD12  ILE  93          HD12      ILE  93  -0.001 -11.553   0.014
   11   HD13  ILE  93          HD13      ILE  93  -0.775 -10.850  -1.405

  No H/Q in entry =          11
  In of MODEL   26
    1    H    VAL  94           H        VAL  94   1.333  -6.321  -3.330
    2    HA   VAL  94           HA       VAL  94   2.308  -6.886  -6.042
    3    HB   VAL  94           HB       VAL  94   1.018  -4.302  -5.122
    4   HG11  VAL  94          HG11      VAL  94   2.919  -3.860  -6.582
    5   HG12  VAL  94          HG12      VAL  94   2.280  -4.993  -7.774
    6   HG13  VAL  94          HG13      VAL  94   1.401  -3.507  -7.409
    7   HG21  VAL  94          HG21      VAL  94   0.165  -6.319  -7.199
    8   HG22  VAL  94          HG22      VAL  94  -0.611  -6.033  -5.641
    9   HG23  VAL  94          HG23      VAL  94  -0.634  -4.779  -6.883

  No H/Q in entry =           9
  In of MODEL   26
    1    H    LYS  95           H        LYS  95   4.386  -6.363  -6.333
    2    HA   LYS  95           HA       LYS  95   5.803  -5.489  -3.947
    3    HB2  LYS  95           HB2      LYS  95   7.442  -6.830  -4.668
    4    HB3  LYS  95           HB3      LYS  95   6.338  -7.356  -5.923
    5    HG2  LYS  95           HG2      LYS  95   7.335  -6.023  -7.524
    6    HG3  LYS  95           HG3      LYS  95   8.072  -4.956  -6.316
    7    HD2  LYS  95           HD2      LYS  95   9.239  -7.163  -5.541
    8    HD3  LYS  95           HD3      LYS  95   8.882  -7.689  -7.182
    9    HE2  LYS  95           HE2      LYS  95  11.153  -6.571  -6.638
   10    HE3  LYS  95           HE3      LYS  95  10.307  -6.137  -8.130
   11    HZ1  LYS  95           HZ1      LYS  95   9.368  -4.226  -6.744
   12    HZ2  LYS  95           HZ2      LYS  95  10.585  -4.585  -5.618
   13    HZ3  LYS  95           HZ3      LYS  95  10.989  -4.129  -7.198

  No H/Q in entry =          13
  In of MODEL   26
    1    H    TRP  96           H        TRP  96   7.051  -3.682  -3.817
    2    HA   TRP  96           HA       TRP  96   6.018  -1.435  -5.195
    3    HB2  TRP  96           HB2      TRP  96   6.746  -1.224  -2.897
    4    HB3  TRP  96           HB3      TRP  96   8.384  -1.741  -3.303
    5    HD1  TRP  96           HD1      TRP  96   6.003   1.201  -4.244
    6    HE1  TRP  96           HE1      TRP  96   7.456   3.322  -4.422
    7    HE3  TRP  96           HE3      TRP  96  10.592  -0.868  -3.368
    8    HZ2  TRP  96           HZ2      TRP  96  10.164   4.024  -4.212
    9    HZ3  TRP  96           HZ3      TRP  96  12.571   0.590  -3.373
   10    HH2  TRP  96           HH2      TRP  96  12.353   3.006  -3.794

  No H/Q in entry =          10
  In of MODEL   26
    1    H    ASP  97           H        ASP  97   6.579  -0.660  -7.103
    2    HA   ASP  97           HA       ASP  97   9.246  -1.321  -8.149
    3    HB2  ASP  97           HB2      ASP  97   8.295  -1.071 -10.400
    4    HB3  ASP  97           HB3      ASP  97   7.416  -2.290  -9.483

  No H/Q in entry =           4
  In of MODEL   26
    1    H    ARG  98           H        ARG  98  10.592   0.220  -8.665
    2    HA   ARG  98           HA       ARG  98   9.668   2.996  -8.562
    3    HB2  ARG  98           HB2      ARG  98  11.979   3.591  -8.158
    4    HB3  ARG  98           HB3      ARG  98  11.513   2.326  -7.051
    5    HG2  ARG  98           HG2      ARG  98  13.519   1.496  -7.616
    6    HG3  ARG  98           HG3      ARG  98  12.598   0.813  -8.953
    7    HD2  ARG  98           HD2      ARG  98  14.698   1.847  -9.703
    8    HD3  ARG  98           HD3      ARG  98  13.284   2.643 -10.394
    9    HE   ARG  98           HE       ARG  98  13.665   4.489  -8.932
   10   HH11  ARG  98          HH11      ARG  98  16.175   2.048  -8.771
   11   HH12  ARG  98          HH12      ARG  98  17.413   3.172  -8.288
   12   HH21  ARG  98          HH21      ARG  98  15.289   5.967  -8.290
   13   HH22  ARG  98          HH22      ARG  98  16.909   5.396  -7.995

  No H/Q in entry =          13
  In of MODEL   26
    1    H    ASP  99           H        ASP  99  11.121   0.566 -10.511
    2    HA   ASP  99           HA       ASP  99  10.675   2.154 -12.928
    3    HB2  ASP  99           HB2      ASP  99  13.059   2.449 -12.237
    4    HB3  ASP  99           HB3      ASP  99  13.270   0.707 -12.325

  No H/Q in entry =           4
  In of MODEL   26
    1    H    MET 100           H        MET 100  10.419  -0.667 -11.208
    2    HA   MET 100           HA       MET 100  10.890  -2.582 -13.305
    3    HB2  MET 100           HB2      MET 100   9.717  -2.984 -10.546
    4    HB3  MET 100           HB3      MET 100  10.348  -4.237 -11.610
    5    HG2  MET 100           HG2      MET 100  12.562  -3.456 -11.370
    6    HG3  MET 100           HG3      MET 100  12.023  -1.969 -10.590
    7    HE1  MET 100           HE1      MET 100  14.349  -3.818  -9.454
    8    HE2  MET 100           HE2      MET 100  13.813  -2.339  -8.656
    9    HE3  MET 100           HE3      MET 100  13.953  -3.838  -7.736

  No H/Q in entry =           9
  In of MODEL   27
    1    HA   ILE   2           HA       ILE   2 -21.313  -9.537  -4.686
    2    HB   ILE   2           HB       ILE   2 -19.650 -10.225  -6.447
    3   HG12  ILE   2          HG12      ILE   2 -21.080  -8.118  -8.095
    4   HG13  ILE   2          HG13      ILE   2 -19.383  -8.081  -7.617
    5   HG21  ILE   2          HG21      ILE   2 -22.553 -10.099  -7.237
    6   HG22  ILE   2          HG22      ILE   2 -21.352 -11.168  -7.962
    7   HG23  ILE   2          HG23      ILE   2 -21.774 -11.343  -6.258
    8   HD11  ILE   2          HD11      ILE   2 -20.653 -10.115  -9.436
    9   HD12  ILE   2          HD12      ILE   2 -19.644  -8.755  -9.933
   10   HD13  ILE   2          HD13      ILE   2 -18.954 -10.059  -8.965

  No H/Q in entry =          10
  In of MODEL   27
    1    H    GLN   3           H        GLN   3 -20.834  -6.511  -4.433
    2    HA   GLN   3           HA       GLN   3 -19.281  -5.098  -3.643
    3    HB2  GLN   3           HB2      GLN   3 -18.917  -7.066  -2.090
    4    HB3  GLN   3           HB3      GLN   3 -17.595  -7.564  -3.129
    5    HG2  GLN   3           HG2      GLN   3 -16.924  -6.321  -1.071
    6    HG3  GLN   3           HG3      GLN   3 -16.325  -5.638  -2.587
    7   HE21  GLN   3          HE21      GLN   3 -18.555  -5.231   0.056
    8   HE22  GLN   3          HE22      GLN   3 -18.909  -3.569  -0.253

  No H/Q in entry =           8
  In of MODEL   27
    1    H    ARG   4           H        ARG   4 -16.820  -4.443  -3.926
    2    HA   ARG   4           HA       ARG   4 -16.168  -4.857  -6.773
    3    HB2  ARG   4           HB2      ARG   4 -17.168  -2.663  -6.483
    4    HB3  ARG   4           HB3      ARG   4 -16.130  -2.333  -5.105
    5    HG2  ARG   4           HG2      ARG   4 -14.239  -1.953  -6.436
    6    HG3  ARG   4           HG3      ARG   4 -14.951  -2.763  -7.844
    7    HD2  ARG   4           HD2      ARG   4 -14.865  -0.248  -7.968
    8    HD3  ARG   4           HD3      ARG   4 -16.468  -0.950  -8.203
    9    HE   ARG   4           HE       ARG   4 -16.657  -0.429  -5.658
   10   HH11  ARG   4          HH11      ARG   4 -14.982   1.534  -8.019
   11   HH12  ARG   4          HH12      ARG   4 -15.351   3.034  -7.221
   12   HH21  ARG   4          HH21      ARG   4 -17.126   1.527  -4.578
   13   HH22  ARG   4          HH22      ARG   4 -16.580   3.029  -5.261

  No H/Q in entry =          13
  In of MODEL   27
    1    H    THR   5           H        THR   5 -14.011  -5.170  -7.262
    2    HA   THR   5           HA       THR   5 -12.382  -6.011  -5.063
    3    HB   THR   5           HB       THR   5 -10.796  -6.827  -6.680
    4    HG1  THR   5           HG1      THR   5 -11.571  -4.773  -8.127
    5   HG21  THR   5          HG21      THR   5 -13.670  -7.246  -7.453
    6   HG22  THR   5          HG22      THR   5 -12.352  -8.076  -8.280
    7   HG23  THR   5          HG23      THR   5 -12.597  -8.315  -6.555

  No H/Q in entry =           7
  In of MODEL   27
    1    HA   PRO   6           HA       PRO   6 -10.286  -2.022  -4.733
    2    HB2  PRO   6           HB2      PRO   6  -8.767  -3.219  -2.571
    3    HB3  PRO   6           HB3      PRO   6  -9.964  -1.924  -2.491
    4    HG2  PRO   6           HG2      PRO   6 -10.346  -4.443  -1.463
    5    HG3  PRO   6           HG3      PRO   6 -11.666  -3.352  -1.957
    6    HD2  PRO   6           HD2      PRO   6 -10.498  -5.714  -3.386
    7    HD3  PRO   6           HD3      PRO   6 -12.174  -5.114  -3.347

  No H/Q in entry =           7
  In of MODEL   27
    1    H    LYS   7           H        LYS   7  -8.487  -1.486  -5.841
    2    HA   LYS   7           HA       LYS   7  -6.816  -3.734  -6.702
    3    HB2  LYS   7           HB2      LYS   7  -8.035  -2.309  -8.395
    4    HB3  LYS   7           HB3      LYS   7  -7.012  -0.964  -7.913
    5    HG2  LYS   7           HG2      LYS   7  -5.032  -2.263  -8.605
    6    HG3  LYS   7           HG3      LYS   7  -6.104  -3.551  -9.158
    7    HD2  LYS   7           HD2      LYS   7  -6.048  -0.715 -10.191
    8    HD3  LYS   7           HD3      LYS   7  -5.413  -2.136 -11.020
    9    HE2  LYS   7           HE2      LYS   7  -8.299  -1.730 -10.243
   10    HE3  LYS   7           HE3      LYS   7  -7.634  -1.431 -11.848
   11    HZ1  LYS   7           HZ1      LYS   7  -7.659  -4.061 -10.456
   12    HZ2  LYS   7           HZ2      LYS   7  -8.709  -3.593 -11.704
   13    HZ3  LYS   7           HZ3      LYS   7  -7.048  -3.765 -12.012

  No H/Q in entry =          13
  In of MODEL   27
    1    H    ILE   8           H        ILE   8  -4.547  -3.513  -6.779
    2    HA   ILE   8           HA       ILE   8  -3.573  -1.895  -4.550
    3    HB   ILE   8           HB       ILE   8  -2.358  -4.288  -5.944
    4   HG12  ILE   8          HG12      ILE   8  -2.491  -5.386  -3.825
    5   HG13  ILE   8          HG13      ILE   8  -2.886  -3.889  -3.008
    6   HG21  ILE   8          HG21      ILE   8  -1.081  -2.471  -3.916
    7   HG22  ILE   8          HG22      ILE   8  -0.456  -4.052  -4.378
    8   HG23  ILE   8          HG23      ILE   8  -0.549  -2.760  -5.573
    9   HD11  ILE   8          HD11      ILE   8  -4.677  -5.245  -4.992
   10   HD12  ILE   8          HD12      ILE   8  -4.771  -5.451  -3.242
   11   HD13  ILE   8          HD13      ILE   8  -5.066  -3.864  -3.962

  No H/Q in entry =          11
  In of MODEL   27
    1    H    GLN   9           H        GLN   9  -2.676  -0.058  -4.951
    2    HA   GLN   9           HA       GLN   9  -0.846   0.120  -7.248
    3    HB2  GLN   9           HB2      GLN   9  -1.882   2.751  -6.471
    4    HB3  GLN   9           HB3      GLN   9  -1.882   2.064  -8.099
    5    HG2  GLN   9           HG2      GLN   9  -3.905   0.868  -7.666
    6    HG3  GLN   9           HG3      GLN   9  -3.938   1.418  -5.995
    7   HE21  GLN   9          HE21      GLN   9  -2.897   3.485  -8.581
    8   HE22  GLN   9          HE22      GLN   9  -4.265   4.546  -8.556

  No H/Q in entry =           8
  In of MODEL   27
    1    H    VAL  10           H        VAL  10   1.139   0.431  -6.529
    2    HA   VAL  10           HA       VAL  10   1.547   1.893  -4.029
    3    HB   VAL  10           HB       VAL  10   1.759  -0.279  -3.186
    4   HG11  VAL  10          HG11      VAL  10   1.691  -1.433  -5.365
    5   HG12  VAL  10          HG12      VAL  10   3.413  -1.105  -5.562
    6   HG13  VAL  10          HG13      VAL  10   2.851  -2.128  -4.234
    7   HG21  VAL  10          HG21      VAL  10   4.536   0.576  -3.991
    8   HG22  VAL  10          HG22      VAL  10   3.666   1.039  -2.529
    9   HG23  VAL  10          HG23      VAL  10   4.168  -0.635  -2.762

  No H/Q in entry =           9
  In of MODEL   27
    1    H    TYR  11           H        TYR  11   3.042   3.326  -4.063
    2    HA   TYR  11           HA       TYR  11   5.067   3.399  -6.172
    3    HB2  TYR  11           HB2      TYR  11   3.420   5.881  -5.616
    4    HB3  TYR  11           HB3      TYR  11   4.513   5.582  -6.949
    5    HD1  TYR  11           HD1      TYR  11   1.103   5.465  -5.816
    6    HD2  TYR  11           HD2      TYR  11   3.776   3.975  -8.776
    7    HE1  TYR  11           HE1      TYR  11  -0.793   4.988  -7.274
    8    HE2  TYR  11           HE2      TYR  11   1.863   3.455 -10.233
    9    HH   TYR  11           HH       TYR  11  -0.463   3.152 -10.213

  No H/Q in entry =           9
  In of MODEL   27
    1    H    SER  12           H        SER  12   6.711   5.128  -5.666
    2    HA   SER  12           HA       SER  12   6.908   5.605  -2.805
    3    HB2  SER  12           HB2      SER  12   8.908   4.908  -4.111
    4    HB3  SER  12           HB3      SER  12   8.793   6.402  -5.035
    5    HG   SER  12           HG       SER  12  10.125   6.100  -2.859

  No H/Q in entry =           5
  In of MODEL   27
    1    H    ARG  13           H        ARG  13   6.800   7.594  -1.847
    2    HA   ARG  13           HA       ARG  13   5.125   9.543  -2.986
    3    HB2  ARG  13           HB2      ARG  13   5.745   9.099  -0.508
    4    HB3  ARG  13           HB3      ARG  13   7.153  10.089  -0.821
    5    HG2  ARG  13           HG2      ARG  13   4.339  11.114  -1.157
    6    HG3  ARG  13           HG3      ARG  13   5.263  11.232   0.333
    7    HD2  ARG  13           HD2      ARG  13   6.116  12.363  -2.320
    8    HD3  ARG  13           HD3      ARG  13   5.378  13.276  -1.016
    9    HE   ARG  13           HE       ARG  13   8.101  12.553  -1.244
   10   HH11  ARG  13          HH11      ARG  13   5.574  12.918   1.171
   11   HH12  ARG  13          HH12      ARG  13   6.684  13.369   2.435
   12   HH21  ARG  13          HH21      ARG  13   9.541  13.162   0.404
   13   HH22  ARG  13          HH22      ARG  13   8.937  13.524   1.995

  No H/Q in entry =          13
  In of MODEL   27
    1    H    HIS  14           H        HIS  14   8.636   9.508  -2.646
    2    HA   HIS  14           HA       HIS  14   8.804  11.661  -4.644
    3    HB2  HIS  14           HB2      HIS  14  10.142  11.384  -2.009
    4    HB3  HIS  14           HB3      HIS  14  11.144  12.001  -3.319
    5    HD2  HIS  14           HD2      HIS  14   8.091  13.561  -4.366
    6    HE1  HIS  14           HE1      HIS  14   9.301  15.968  -1.104
    7    HE2  HIS  14           HE2      HIS  14   7.896  15.879  -3.216

  No H/Q in entry =           7
  In of MODEL   27
    1    HA   PRO  15           HA       PRO  15  11.877   9.300  -6.995
    2    HB2  PRO  15           HB2      PRO  15  14.384  10.354  -6.240
    3    HB3  PRO  15           HB3      PRO  15  13.414  10.830  -7.647
    4    HG2  PRO  15           HG2      PRO  15  13.665  12.173  -4.971
    5    HG3  PRO  15           HG3      PRO  15  13.366  12.884  -6.592
    6    HD2  PRO  15           HD2      PRO  15  11.397  12.634  -4.754
    7    HD3  PRO  15           HD3      PRO  15  11.086  12.448  -6.505

  No H/Q in entry =           7
  In of MODEL   27
    1    H    ALA  16           H        ALA  16  12.925   7.399  -6.688
    2    HA   ALA  16           HA       ALA  16  13.250   6.570  -3.912
    3    HB1  ALA  16           HB1      ALA  16  11.670   5.302  -5.248
    4    HB2  ALA  16           HB2      ALA  16  12.936   4.935  -6.421
    5    HB3  ALA  16           HB3      ALA  16  13.043   4.295  -4.781

  No H/Q in entry =           5
  In of MODEL   27
    1    H    GLU  17           H        GLU  17  15.217   6.202  -3.112
    2    HA   GLU  17           HA       GLU  17  17.446   5.801  -4.971
    3    HB2  GLU  17           HB2      GLU  17  17.041   8.134  -3.769
    4    HB3  GLU  17           HB3      GLU  17  17.802   7.313  -2.420
    5    HG2  GLU  17           HG2      GLU  17  19.068   7.530  -5.118
    6    HG3  GLU  17           HG3      GLU  17  19.288   8.736  -3.873

  No H/Q in entry =           6
  In of MODEL   27
    1    H    ASN  18           H        ASN  18  18.717   4.152  -4.502
    2    HA   ASN  18           HA       ASN  18  18.072   2.475  -2.235
    3    HB2  ASN  18           HB2      ASN  18  18.458   1.152  -4.077
    4    HB3  ASN  18           HB3      ASN  18  19.773   2.162  -4.681
    5   HD21  ASN  18          HD21      ASN  18  21.116   0.416  -5.008
    6   HD22  ASN  18          HD22      ASN  18  21.845  -0.461  -3.701

  No H/Q in entry =           6
  In of MODEL   27
    1    H    GLY  19           H        GLY  19  19.036   2.382  -0.378
    2    HA2  GLY  19           HA2      GLY  19  21.730   3.399   0.025
    3    HA3  GLY  19           HA3      GLY  19  20.662   2.721   1.265

  No H/Q in entry =           3
  In of MODEL   27
    1    H    LYS  20           H        LYS  20  18.486   4.486   0.217
    2    HA   LYS  20           HA       LYS  20  19.313   6.975   1.544
    3    HB2  LYS  20           HB2      LYS  20  19.216   6.989  -1.070
    4    HB3  LYS  20           HB3      LYS  20  17.478   6.979  -0.829
    5    HG2  LYS  20           HG2      LYS  20  17.927   9.223  -1.067
    6    HG3  LYS  20           HG3      LYS  20  17.903   9.032   0.687
    7    HD2  LYS  20           HD2      LYS  20  20.466   8.640   0.388
    8    HD3  LYS  20           HD3      LYS  20  20.233   9.453  -1.150
    9    HE2  LYS  20           HE2      LYS  20  20.917  10.976   0.722
   10    HE3  LYS  20           HE3      LYS  20  19.419  11.435  -0.089
   11    HZ1  LYS  20           HZ1      LYS  20  19.509   9.889   2.449
   12    HZ2  LYS  20           HZ2      LYS  20  19.351  11.575   2.372
   13    HZ3  LYS  20           HZ3      LYS  20  18.149  10.585   1.710

  No H/Q in entry =          13
  In of MODEL   27
    1    H    SER  21           H        SER  21  17.724   7.936   2.769
    2    HA   SER  21           HA       SER  21  15.476   6.386   3.532
    3    HB2  SER  21           HB2      SER  21  16.548   7.952   5.075
    4    HB3  SER  21           HB3      SER  21  16.115   9.292   4.022
    5    HG   SER  21           HG       SER  21  14.620   9.123   5.712

  No H/Q in entry =           5
  In of MODEL   27
    1    H    ASN  22           H        ASN  22  13.490   6.382   2.769
    2    HA   ASN  22           HA       ASN  22  12.686   8.336   0.723
    3    HB2  ASN  22           HB2      ASN  22  13.764   6.064  -0.159
    4    HB3  ASN  22           HB3      ASN  22  12.239   5.370   0.358
    5   HD21  ASN  22          HD21      ASN  22  12.434   8.613  -1.035
    6   HD22  ASN  22          HD22      ASN  22  11.649   8.187  -2.512

  No H/Q in entry =           6
  In of MODEL   27
    1    H    PHE  23           H        PHE  23  10.261   8.057   0.290
    2    HA   PHE  23           HA       PHE  23   8.920   7.090   2.733
    3    HB2  PHE  23           HB2      PHE  23   8.369   9.546   1.085
    4    HB3  PHE  23           HB3      PHE  23   7.166   8.867   2.166
    5    HD1  PHE  23           HD1      PHE  23  10.710  10.041   2.182
    6    HD2  PHE  23           HD2      PHE  23   7.029   9.685   4.284
    7    HE1  PHE  23           HE1      PHE  23  11.635  11.388   4.021
    8    HE2  PHE  23           HE2      PHE  23   7.943  11.028   6.130
    9    HZ   PHE  23           HZ       PHE  23  10.251  11.868   6.004

  No H/Q in entry =           9
  In of MODEL   27
    1    H    LEU  24           H        LEU  24   7.496   5.518   2.391
    2    HA   LEU  24           HA       LEU  24   6.843   4.737  -0.330
    3    HB2  LEU  24           HB2      LEU  24   7.174   3.417   2.115
    4    HB3  LEU  24           HB3      LEU  24   5.475   3.250   1.739
    5    HG   LEU  24           HG       LEU  24   7.801   2.331   0.025
    6   HD11  LEU  24          HD11      LEU  24   5.707   0.813   1.585
    7   HD12  LEU  24          HD12      LEU  24   6.904   0.088   0.512
    8   HD13  LEU  24          HD13      LEU  24   7.422   0.927   1.973
    9   HD21  LEU  24          HD21      LEU  24   4.831   2.140  -0.488
   10   HD22  LEU  24          HD22      LEU  24   6.016   3.040  -1.440
   11   HD23  LEU  24          HD23      LEU  24   6.076   1.278  -1.394

  No H/Q in entry =          11
  In of MODEL   27
    1    H    ASN  25           H        ASN  25   4.712   4.393  -1.030
    2    HA   ASN  25           HA       ASN  25   2.544   5.419   0.625
    3    HB2  ASN  25           HB2      ASN  25   3.265   6.448  -2.108
    4    HB3  ASN  25           HB3      ASN  25   1.578   6.400  -1.624
    5   HD21  ASN  25          HD21      ASN  25   3.159   8.677  -2.265
    6   HD22  ASN  25          HD22      ASN  25   3.175   9.683  -0.859

  No H/Q in entry =           6
  In of MODEL   27
    1    H    CYS  26           H        CYS  26   0.931   3.976   0.664
    2    HA   CYS  26           HA       CYS  26   0.675   2.140  -1.617
    3    HB2  CYS  26           HB2      CYS  26   1.581   1.167   0.609
    4    HB3  CYS  26           HB3      CYS  26  -0.074   1.374   1.192

  No H/Q in entry =           4
  In of MODEL   27
    1    H    TYR  27           H        TYR  27  -1.241   2.299  -2.575
    2    HA   TYR  27           HA       TYR  27  -3.335   3.800  -1.146
    3    HB2  TYR  27           HB2      TYR  27  -2.277   4.154  -3.945
    4    HB3  TYR  27           HB3      TYR  27  -3.900   4.670  -3.522
    5    HD1  TYR  27           HD1      TYR  27  -0.306   5.392  -3.137
    6    HD2  TYR  27           HD2      TYR  27  -4.253   6.616  -2.076
    7    HE1  TYR  27           HE1      TYR  27   0.552   7.592  -2.500
    8    HE2  TYR  27           HE2      TYR  27  -3.387   8.822  -1.433
    9    HH   TYR  27           HH       TYR  27  -0.266   9.893  -2.235

  No H/Q in entry =           9
  In of MODEL   27
    1    H    VAL  28           H        VAL  28  -4.719   2.177  -0.712
    2    HA   VAL  28           HA       VAL  28  -5.550   0.487  -2.968
    3    HB   VAL  28           HB       VAL  28  -6.406  -0.030  -0.142
    4   HG11  VAL  28          HG11      VAL  28  -7.477  -1.249  -1.953
    5   HG12  VAL  28          HG12      VAL  28  -5.899  -1.791  -2.528
    6   HG13  VAL  28          HG13      VAL  28  -6.503  -2.334  -0.962
    7   HG21  VAL  28          HG21      VAL  28  -3.772  -0.832  -1.365
    8   HG22  VAL  28          HG22      VAL  28  -4.027   0.125   0.098
    9   HG23  VAL  28          HG23      VAL  28  -4.469  -1.588   0.073

  No H/Q in entry =           9
  In of MODEL   27
    1    H    SER  29           H        SER  29  -7.162   1.489  -4.005
    2    HA   SER  29           HA       SER  29  -9.393   2.519  -2.415
    3    HB2  SER  29           HB2      SER  29  -7.867   4.406  -3.035
    4    HB3  SER  29           HB3      SER  29  -8.144   4.023  -4.732
    5    HG   SER  29           HG       SER  29  -9.766   5.339  -4.531

  No H/Q in entry =           5
  In of MODEL   27
    1    H    GLY  30           H        GLY  30 -11.233   3.151  -4.038
    2    HA2  GLY  30           HA2      GLY  30 -11.330   1.355  -6.332
    3    HA3  GLY  30           HA3      GLY  30 -12.505   2.602  -5.931

  No H/Q in entry =           3
  In of MODEL   27
    1    H    PHE  31           H        PHE  31 -12.445   1.524  -3.074
    2    HA   PHE  31           HA       PHE  31 -14.284  -0.712  -3.604
    3    HB2  PHE  31           HB2      PHE  31 -13.485  -1.835  -1.607
    4    HB3  PHE  31           HB3      PHE  31 -12.083  -1.423  -2.618
    5    HD1  PHE  31           HD1      PHE  31 -13.804  -0.828   0.524
    6    HD2  PHE  31           HD2      PHE  31 -10.589   0.413  -1.966
    7    HE1  PHE  31           HE1      PHE  31 -12.810   0.373   2.419
    8    HE2  PHE  31           HE2      PHE  31  -9.596   1.630  -0.073
    9    HZ   PHE  31           HZ       PHE  31 -10.710   1.605   2.120

  No H/Q in entry =           9
  In of MODEL   27
    1    H    HIS  32           H        HIS  32 -15.615  -1.180  -1.537
    2    HA   HIS  32           HA       HIS  32 -15.992   0.912   0.350
    3    HB2  HIS  32           HB2      HIS  32 -18.475   1.140  -0.128
    4    HB3  HIS  32           HB3      HIS  32 -17.424   1.894  -1.318
    5    HD2  HIS  32           HD2      HIS  32 -19.850  -1.153  -1.003
    6    HE1  HIS  32           HE1      HIS  32 -18.949  -0.498  -5.083
    7    HE2  HIS  32           HE2      HIS  32 -20.239  -1.937  -3.446

  No H/Q in entry =           7
  In of MODEL   27
    1    HA   PRO  33           HA       PRO  33 -18.157   1.144   1.932
    2    HB2  PRO  33           HB2      PRO  33 -17.784   0.006   4.612
    3    HB3  PRO  33           HB3      PRO  33 -19.216   0.746   3.894
    4    HG2  PRO  33           HG2      PRO  33 -19.090  -1.885   4.377
    5    HG3  PRO  33           HG3      PRO  33 -19.934  -1.237   2.957
    6    HD2  PRO  33           HD2      PRO  33 -17.195  -2.443   3.144
    7    HD3  PRO  33           HD3      PRO  33 -18.464  -2.719   1.931

  No H/Q in entry =           7
  In of MODEL   27
    1    H    SER  34           H        SER  34 -17.238   2.290   4.072
    2    HA   SER  34           HA       SER  34 -14.609   3.074   3.378
    3    HB2  SER  34           HB2      SER  34 -16.008   3.721   5.973
    4    HB3  SER  34           HB3      SER  34 -14.780   4.684   5.139
    5    HG   SER  34           HG       SER  34 -17.475   4.200   4.382

  No H/Q in entry =           5
  In of MODEL   27
    1    H    ASP  35           H        ASP  35 -14.004   0.481   3.804
    2    HA   ASP  35           HA       ASP  35 -11.884   0.762   5.660
    3    HB2  ASP  35           HB2      ASP  35 -13.345   0.366   7.430
    4    HB3  ASP  35           HB3      ASP  35 -14.195  -0.924   6.586

  No H/Q in entry =           4
  In of MODEL   27
    1    H    ILE  36           H        ILE  36 -10.288  -0.347   4.993
    2    HA   ILE  36           HA       ILE  36 -10.565  -3.149   4.193
    3    HB   ILE  36           HB       ILE  36 -10.459  -1.692   2.057
    4   HG12  ILE  36          HG12      ILE  36  -8.633  -3.972   2.738
    5   HG13  ILE  36          HG13      ILE  36 -10.017  -3.946   1.653
    6   HG21  ILE  36          HG21      ILE  36  -7.648  -1.354   3.088
    7   HG22  ILE  36          HG22      ILE  36  -8.145  -0.999   1.432
    8   HG23  ILE  36          HG23      ILE  36  -8.816  -0.070   2.772
    9   HD11  ILE  36          HD11      ILE  36  -7.341  -2.679   1.089
   10   HD12  ILE  36          HD12      ILE  36  -7.884  -4.234   0.466
   11   HD13  ILE  36          HD13      ILE  36  -8.712  -2.753  -0.018

  No H/Q in entry =          11
  In of MODEL   27
    1    H    GLU  37           H        GLU  37  -8.578  -4.349   4.604
    2    HA   GLU  37           HA       GLU  37  -6.588  -2.802   6.076
    3    HB2  GLU  37           HB2      GLU  37  -6.958  -5.801   5.891
    4    HB3  GLU  37           HB3      GLU  37  -5.643  -4.989   6.745
    5    HG2  GLU  37           HG2      GLU  37  -7.230  -3.919   8.193
    6    HG3  GLU  37           HG3      GLU  37  -8.552  -4.753   7.370

  No H/Q in entry =           6
  In of MODEL   27
    1    H    VAL  38           H        VAL  38  -4.572  -2.728   5.543
    2    HA   VAL  38           HA       VAL  38  -3.530  -4.284   3.362
    3    HB   VAL  38           HB       VAL  38  -3.873  -2.810   1.738
    4   HG11  VAL  38          HG11      VAL  38  -4.407  -0.697   3.800
    5   HG12  VAL  38          HG12      VAL  38  -4.652  -0.516   2.062
    6   HG13  VAL  38          HG13      VAL  38  -5.595  -1.702   2.967
    7   HG21  VAL  38          HG21      VAL  38  -1.853  -1.136   3.232
    8   HG22  VAL  38          HG22      VAL  38  -1.515  -2.369   2.019
    9   HG23  VAL  38          HG23      VAL  38  -2.331  -0.875   1.552

  No H/Q in entry =           9
  In of MODEL   27
    1    H    ASP  39           H        ASP  39  -1.498  -4.700   3.612
    2    HA   ASP  39           HA       ASP  39  -0.009  -3.270   5.702
    3    HB2  ASP  39           HB2      ASP  39  -0.564  -5.170   6.903
    4    HB3  ASP  39           HB3      ASP  39  -0.536  -6.213   5.500

  No H/Q in entry =           4
  In of MODEL   27
    1    H    LEU  40           H        LEU  40   2.190  -3.165   5.452
    2    HA   LEU  40           HA       LEU  40   3.056  -3.525   2.684
    3    HB2  LEU  40           HB2      LEU  40   4.522  -2.019   4.841
    4    HB3  LEU  40           HB3      LEU  40   4.723  -1.889   3.105
    5    HG   LEU  40           HG       LEU  40   2.330  -0.942   4.677
    6   HD11  LEU  40          HD11      LEU  40   4.571   0.571   3.340
    7   HD12  LEU  40          HD12      LEU  40   3.122   1.305   4.030
    8   HD13  LEU  40          HD13      LEU  40   4.262   0.454   5.075
    9   HD21  LEU  40          HD21      LEU  40   2.948  -0.779   1.738
   10   HD22  LEU  40          HD22      LEU  40   1.592  -1.612   2.504
   11   HD23  LEU  40          HD23      LEU  40   1.687   0.153   2.546

  No H/Q in entry =          11
  In of MODEL   27
    1    H    LEU  41           H        LEU  41   4.843  -4.725   2.161
    2    HA   LEU  41           HA       LEU  41   5.931  -6.410   4.343
    3    HB2  LEU  41           HB2      LEU  41   5.829  -7.304   1.510
    4    HB3  LEU  41           HB3      LEU  41   5.990  -8.261   2.947
    5    HG   LEU  41           HG       LEU  41   3.486  -6.807   2.226
    6   HD11  LEU  41          HD11      LEU  41   4.019  -8.425   0.494
    7   HD12  LEU  41          HD12      LEU  41   4.222  -9.680   1.717
    8   HD13  LEU  41          HD13      LEU  41   2.635  -8.961   1.445
    9   HD21  LEU  41          HD21      LEU  41   4.052  -9.021   4.183
   10   HD22  LEU  41          HD22      LEU  41   3.694  -7.339   4.581
   11   HD23  LEU  41          HD23      LEU  41   2.458  -8.347   3.830

  No H/Q in entry =          11
  In of MODEL   27
    1    H    LYS  42           H        LYS  42   8.007  -7.355   3.877
    2    HA   LYS  42           HA       LYS  42   9.595  -5.985   1.835
    3    HB2  LYS  42           HB2      LYS  42  10.597  -6.864   4.524
    4    HB3  LYS  42           HB3      LYS  42  11.431  -5.846   3.362
    5    HG2  LYS  42           HG2      LYS  42   9.788  -4.046   3.737
    6    HG3  LYS  42           HG3      LYS  42   8.879  -5.098   4.800
    7    HD2  LYS  42           HD2      LYS  42  10.137  -3.700   6.229
    8    HD3  LYS  42           HD3      LYS  42  10.959  -5.258   6.246
    9    HE2  LYS  42           HE2      LYS  42  11.784  -2.927   4.525
   10    HE3  LYS  42           HE3      LYS  42  12.468  -3.272   6.109
   11    HZ1  LYS  42           HZ1      LYS  42  13.119  -5.495   5.177
   12    HZ2  LYS  42           HZ2      LYS  42  12.690  -4.912   3.641
   13    HZ3  LYS  42           HZ3      LYS  42  13.931  -4.164   4.515

  No H/Q in entry =          13
  In of MODEL   27
    1    H    ASN  43           H        ASN  43  10.106  -7.424   0.462
    2    HA   ASN  43           HA       ASN  43  10.841  -9.301  -0.579
    3    HB2  ASN  43           HB2      ASN  43  12.072  -9.444   2.059
    4    HB3  ASN  43           HB3      ASN  43  11.755 -11.048   1.412
    5   HD21  ASN  43          HD21      ASN  43  13.656  -8.138   1.107
    6   HD22  ASN  43          HD22      ASN  43  14.716  -8.747  -0.121

  No H/Q in entry =           6
  In of MODEL   27
    1    H    GLY  44           H        GLY  44   8.762  -9.563   2.154
    2    HA2  GLY  44           HA2      GLY  44   7.991 -12.310   1.686
    3    HA3  GLY  44           HA3      GLY  44   6.786 -11.102   1.239

  No H/Q in entry =           3
  In of MODEL   27
    1    H    GLU  45           H        GLU  45   8.585  -9.870   3.755
    2    HA   GLU  45           HA       GLU  45   6.938 -11.152   5.811
    3    HB2  GLU  45           HB2      GLU  45   9.541  -9.666   6.041
    4    HB3  GLU  45           HB3      GLU  45   8.767 -10.622   7.301
    5    HG2  GLU  45           HG2      GLU  45   9.684 -11.716   4.667
    6    HG3  GLU  45           HG3      GLU  45  10.662 -11.711   6.111

  No H/Q in entry =           6
  In of MODEL   27
    1    H    ARG  46           H        ARG  46   5.910  -9.918   7.357
    2    HA   ARG  46           HA       ARG  46   4.805  -7.508   6.418
    3    HB2  ARG  46           HB2      ARG  46   3.674  -9.184   7.915
    4    HB3  ARG  46           HB3      ARG  46   4.691  -8.595   9.233
    5    HG2  ARG  46           HG2      ARG  46   3.680  -6.409   9.085
    6    HG3  ARG  46           HG3      ARG  46   2.787  -6.880   7.650
    7    HD2  ARG  46           HD2      ARG  46   1.401  -8.383   8.917
    8    HD3  ARG  46           HD3      ARG  46   2.405  -8.146  10.362
    9    HE   ARG  46           HE       ARG  46   1.063  -5.836   9.157
   10   HH11  ARG  46          HH11      ARG  46   1.363  -8.098  11.808
   11   HH12  ARG  46          HH12      ARG  46   0.374  -7.169  12.887
   12   HH21  ARG  46          HH21      ARG  46  -0.260  -4.615  10.568
   13   HH22  ARG  46          HH22      ARG  46  -0.554  -5.182  12.181

  No H/Q in entry =          13
  In of MODEL   27
    1    H    ILE  47           H        ILE  47   5.043  -5.394   6.994
    2    HA   ILE  47           HA       ILE  47   7.313  -4.627   8.688
    3    HB   ILE  47           HB       ILE  47   5.494  -2.909   6.972
    4   HG12  ILE  47          HG12      ILE  47   8.376  -3.640   6.485
    5   HG13  ILE  47          HG13      ILE  47   7.020  -4.405   5.664
    6   HG21  ILE  47          HG21      ILE  47   8.007  -2.209   8.486
    7   HG22  ILE  47          HG22      ILE  47   7.167  -1.137   7.363
    8   HG23  ILE  47          HG23      ILE  47   6.371  -1.661   8.848
    9   HD11  ILE  47          HD11      ILE  47   7.322  -1.437   5.592
   10   HD12  ILE  47          HD12      ILE  47   8.273  -2.447   4.507
   11   HD13  ILE  47          HD13      ILE  47   6.514  -2.509   4.450

  No H/Q in entry =          11
  In of MODEL   27
    1    H    GLU  48           H        GLU  48   6.961  -3.489  10.622
    2    HA   GLU  48           HA       GLU  48   4.149  -3.430  11.438
    3    HB2  GLU  48           HB2      GLU  48   5.273  -3.265  13.792
    4    HB3  GLU  48           HB3      GLU  48   5.112  -4.801  12.988
    5    HG2  GLU  48           HG2      GLU  48   7.223  -4.916  13.715
    6    HG3  GLU  48           HG3      GLU  48   7.490  -4.185  12.148

  No H/Q in entry =           6
  In of MODEL   27
    1    H    LYS  49           H        LYS  49   7.024  -1.365  11.280
    2    HA   LYS  49           HA       LYS  49   5.805   0.863  12.463
    3    HB2  LYS  49           HB2      LYS  49   8.119   0.685  10.545
    4    HB3  LYS  49           HB3      LYS  49   7.735   2.068  11.571
    5    HG2  LYS  49           HG2      LYS  49   7.966  -0.532  12.919
    6    HG3  LYS  49           HG3      LYS  49   9.454   0.144  12.276
    7    HD2  LYS  49           HD2      LYS  49   9.413   1.914  13.728
    8    HD3  LYS  49           HD3      LYS  49   7.652   1.928  13.806
    9    HE2  LYS  49           HE2      LYS  49   8.816   1.216  15.918
   10    HE3  LYS  49           HE3      LYS  49   7.609   0.091  15.299
   11    HZ1  LYS  49           HZ1      LYS  49  10.527  -0.169  14.823
   12    HZ2  LYS  49           HZ2      LYS  49   9.680  -0.981  16.044
   13    HZ3  LYS  49           HZ3      LYS  49   9.323  -1.293  14.416

  No H/Q in entry =          13
  In of MODEL   27
    1    H    VAL  50           H        VAL  50   4.503  -0.482   9.993
    2    HA   VAL  50           HA       VAL  50   4.080   1.674   8.186
    3    HB   VAL  50           HB       VAL  50   2.333  -0.719   8.761
    4   HG11  VAL  50          HG11      VAL  50   1.166   1.149   7.622
    5   HG12  VAL  50          HG12      VAL  50   2.385   1.082   6.340
    6   HG13  VAL  50          HG13      VAL  50   1.315  -0.294   6.609
    7   HG21  VAL  50          HG21      VAL  50   4.465  -0.294   6.680
    8   HG22  VAL  50          HG22      VAL  50   4.564  -1.365   8.075
    9   HG23  VAL  50          HG23      VAL  50   3.407  -1.693   6.792

  No H/Q in entry =           9
  In of MODEL   27
    1    H    GLU  51           H        GLU  51   2.636   3.302   8.240
    2    HA   GLU  51           HA       GLU  51   0.627   3.288  10.379
    3    HB2  GLU  51           HB2      GLU  51   2.330   5.654   9.583
    4    HB3  GLU  51           HB3      GLU  51   1.012   5.685  10.747
    5    HG2  GLU  51           HG2      GLU  51   2.263   4.095  12.155
    6    HG3  GLU  51           HG3      GLU  51   3.607   4.189  11.013

  No H/Q in entry =           6
  In of MODEL   27
    1    H    HIS  52           H        HIS  52  -1.288   4.169   9.888
    2    HA   HIS  52           HA       HIS  52  -1.653   5.229   7.170
    3    HB2  HIS  52           HB2      HIS  52  -4.045   4.645   7.377
    4    HB3  HIS  52           HB3      HIS  52  -2.999   3.238   7.503
    5    HD2  HIS  52           HD2      HIS  52  -2.608   2.490  10.370
    6    HE1  HIS  52           HE1      HIS  52  -6.508   3.877  11.246
    7    HE2  HIS  52           HE2      HIS  52  -4.487   2.650  12.151

  No H/Q in entry =           7
  In of MODEL   27
    1    H    SER  53           H        SER  53  -2.161   7.292   6.963
    2    HA   SER  53           HA       SER  53  -2.557   8.860   9.382
    3    HB2  SER  53           HB2      SER  53  -0.913   9.470   7.514
    4    HB3  SER  53           HB3      SER  53  -2.326   9.953   6.578
    5    HG   SER  53           HG       SER  53  -1.916  10.931   9.197

  No H/Q in entry =           5
  In of MODEL   27
    1    H    ASP  54           H        ASP  54  -3.942  11.039   8.276
    2    HA   ASP  54           HA       ASP  54  -6.546  10.580   8.897
    3    HB2  ASP  54           HB2      ASP  54  -5.180  12.602   7.202
    4    HB3  ASP  54           HB3      ASP  54  -6.934  12.523   7.079

  No H/Q in entry =           4
  In of MODEL   27
    1    H    LEU  55           H        LEU  55  -8.060   9.327   8.147
    2    HA   LEU  55           HA       LEU  55  -7.819   7.504   6.164
    3    HB2  LEU  55           HB2      LEU  55  -9.599   7.746   8.003
    4    HB3  LEU  55           HB3      LEU  55 -10.490   8.711   6.850
    5    HG   LEU  55           HG       LEU  55 -11.179   6.287   7.066
    6   HD11  LEU  55          HD11      LEU  55 -10.352   7.274   4.343
    7   HD12  LEU  55          HD12      LEU  55 -11.480   5.953   4.652
    8   HD13  LEU  55          HD13      LEU  55 -11.884   7.594   5.159
    9   HD21  LEU  55          HD21      LEU  55  -8.945   5.334   7.234
   10   HD22  LEU  55          HD22      LEU  55  -9.839   4.630   5.886
   11   HD23  LEU  55          HD23      LEU  55  -8.595   5.844   5.584

  No H/Q in entry =          11
  In of MODEL   27
    1    H    SER  56           H        SER  56 -10.279   9.979   5.690
    2    HA   SER  56           HA       SER  56  -9.360  11.318   3.492
    3    HB2  SER  56           HB2      SER  56  -9.314   8.949   2.480
    4    HB3  SER  56           HB3      SER  56 -11.077   9.035   2.506
    5    HG   SER  56           HG       SER  56  -9.265  10.718   1.120

  No H/Q in entry =           5
  In of MODEL   27
    1    H    PHE  57           H        PHE  57 -11.491  11.827   1.965
    2    HA   PHE  57           HA       PHE  57 -13.950  11.583   3.411
    3    HB2  PHE  57           HB2      PHE  57 -12.930  13.682   4.377
    4    HB3  PHE  57           HB3      PHE  57 -13.015  14.387   2.764
    5    HD1  PHE  57           HD1      PHE  57 -15.126  15.063   1.813
    6    HD2  PHE  57           HD2      PHE  57 -14.953  13.227   5.646
    7    HE1  PHE  57           HE1      PHE  57 -17.449  15.746   2.238
    8    HE2  PHE  57           HE2      PHE  57 -17.278  13.909   6.080
    9    HZ   PHE  57           HZ       PHE  57 -18.529  15.170   4.375

  No H/Q in entry =           9
  In of MODEL   27
    1    H    SER  58           H        SER  58 -15.121  10.770   1.852
    2    HA   SER  58           HA       SER  58 -15.249  12.214  -0.712
    3    HB2  SER  58           HB2      SER  58 -14.131  10.009  -1.024
    4    HB3  SER  58           HB3      SER  58 -15.539   9.214  -0.320
    5    HG   SER  58           HG       SER  58 -15.135   9.948  -2.859

  No H/Q in entry =           5
  In of MODEL   27
    1    H    LYS  59           H        LYS  59 -17.534  11.404  -1.808
    2    HA   LYS  59           HA       LYS  59 -19.468  12.072   0.234
    3    HB2  LYS  59           HB2      LYS  59 -19.834  11.623  -2.735
    4    HB3  LYS  59           HB3      LYS  59 -21.080  12.193  -1.631
    5    HG2  LYS  59           HG2      LYS  59 -19.681  14.163  -1.117
    6    HG3  LYS  59           HG3      LYS  59 -18.506  13.604  -2.306
    7    HD2  LYS  59           HD2      LYS  59 -19.846  15.252  -3.367
    8    HD3  LYS  59           HD3      LYS  59 -20.343  13.688  -4.013
    9    HE2  LYS  59           HE2      LYS  59 -22.301  15.000  -3.567
   10    HE3  LYS  59           HE3      LYS  59 -22.225  13.676  -2.405
   11    HZ1  LYS  59           HZ1      LYS  59 -21.381  16.478  -1.879
   12    HZ2  LYS  59           HZ2      LYS  59 -22.833  15.773  -1.356
   13    HZ3  LYS  59           HZ3      LYS  59 -21.352  15.206  -0.758

  No H/Q in entry =          13
  In of MODEL   27
    1    H    ASP  60           H        ASP  60 -20.466   9.821  -2.319
    2    HA   ASP  60           HA       ASP  60 -20.268   7.641  -0.344
    3    HB2  ASP  60           HB2      ASP  60 -22.476   7.965  -2.388
    4    HB3  ASP  60           HB3      ASP  60 -22.393   6.780  -1.090

  No H/Q in entry =           4
  In of MODEL   27
    1    H    TRP  61           H        TRP  61 -18.319   8.244  -2.406
    2    HA   TRP  61           HA       TRP  61 -18.862   6.114  -4.361
    3    HB2  TRP  61           HB2      TRP  61 -16.919   8.417  -4.581
    4    HB3  TRP  61           HB3      TRP  61 -17.182   7.182  -5.805
    5    HD1  TRP  61           HD1      TRP  61 -20.067   7.066  -6.421
    6    HE1  TRP  61           HE1      TRP  61 -21.479   9.093  -7.147
    7    HE3  TRP  61           HE3      TRP  61 -17.101  10.787  -4.580
    8    HZ2  TRP  61           HZ2      TRP  61 -21.340  11.908  -6.955
    9    HZ3  TRP  61           HZ3      TRP  61 -17.792  13.120  -4.885
   10    HH2  TRP  61           HH2      TRP  61 -19.898  13.676  -6.066

  No H/Q in entry =          10
  In of MODEL   27
    1    H    SER  62           H        SER  62 -15.684   7.441  -3.743
    2    HA   SER  62           HA       SER  62 -14.844   4.759  -2.862
    3    HB2  SER  62           HB2      SER  62 -14.159   5.366  -5.230
    4    HB3  SER  62           HB3      SER  62 -13.208   6.689  -4.542
    5    HG   SER  62           HG       SER  62 -11.822   5.270  -3.661

  No H/Q in entry =           5
  In of MODEL   27
    1    H    PHE  63           H        PHE  63 -14.261   4.841  -0.826
    2    HA   PHE  63           HA       PHE  63 -13.213   7.309   0.315
    3    HB2  PHE  63           HB2      PHE  63 -13.656   4.706   1.784
    4    HB3  PHE  63           HB3      PHE  63 -13.635   6.336   2.443
    5    HD1  PHE  63           HD1      PHE  63 -15.621   7.748   2.337
    6    HD2  PHE  63           HD2      PHE  63 -15.607   3.846   0.624
    7    HE1  PHE  63           HE1      PHE  63 -18.091   7.803   2.187
    8    HE2  PHE  63           HE2      PHE  63 -18.064   3.901   0.465
    9    HZ   PHE  63           HZ       PHE  63 -19.300   5.880   1.245

  No H/Q in entry =           9
  In of MODEL   27
    1    H    TYR  64           H        TYR  64 -11.149   7.641  -0.002
    2    HA   TYR  64           HA       TYR  64  -9.303   5.592  -0.698
    3    HB2  TYR  64           HB2      TYR  64  -8.561   8.377   0.203
    4    HB3  TYR  64           HB3      TYR  64  -7.710   7.345  -0.938
    5    HD1  TYR  64           HD1      TYR  64 -10.631   9.529  -0.467
    6    HD2  TYR  64           HD2      TYR  64  -8.325   7.306  -3.264
    7    HE1  TYR  64           HE1      TYR  64 -11.785  10.669  -2.305
    8    HE2  TYR  64           HE2      TYR  64  -9.479   8.443  -5.119
    9    HH   TYR  64           HH       TYR  64 -11.357  11.229  -4.670

  No H/Q in entry =           9
  In of MODEL   27
    1    H    LEU  65           H        LEU  65  -7.628   4.713   0.514
    2    HA   LEU  65           HA       LEU  65  -7.208   5.702   3.219
    3    HB2  LEU  65           HB2      LEU  65  -8.724   4.026   3.725
    4    HB3  LEU  65           HB3      LEU  65  -8.113   2.939   2.497
    5    HG   LEU  65           HG       LEU  65  -6.313   3.572   4.787
    6   HD11  LEU  65          HD11      LEU  65  -8.688   3.205   5.644
    7   HD12  LEU  65          HD12      LEU  65  -8.522   1.556   5.041
    8   HD13  LEU  65          HD13      LEU  65  -7.429   2.153   6.288
    9   HD21  LEU  65          HD21      LEU  65  -5.628   2.105   2.940
   10   HD22  LEU  65          HD22      LEU  65  -5.721   1.233   4.470
   11   HD23  LEU  65          HD23      LEU  65  -7.005   1.054   3.275

  No H/Q in entry =          11
  In of MODEL   27
    1    H    LEU  66           H        LEU  66  -5.163   5.709   3.849
    2    HA   LEU  66           HA       LEU  66  -3.220   4.834   1.823
    3    HB2  LEU  66           HB2      LEU  66  -3.785   7.354   2.440
    4    HB3  LEU  66           HB3      LEU  66  -2.664   7.044   3.732
    5    HG   LEU  66           HG       LEU  66  -2.026   6.811   0.802
    6   HD11  LEU  66          HD11      LEU  66  -2.368   9.121   1.497
    7   HD12  LEU  66          HD12      LEU  66  -1.231   8.895   2.824
    8   HD13  LEU  66          HD13      LEU  66  -0.666   8.809   1.157
    9   HD21  LEU  66          HD21      LEU  66  -0.298   6.477   3.233
   10   HD22  LEU  66          HD22      LEU  66  -0.658   5.272   2.001
   11   HD23  LEU  66          HD23      LEU  66   0.325   6.679   1.598

  No H/Q in entry =          11
  In of MODEL   27
    1    H    TYR  67           H        TYR  67  -1.601   3.549   2.455
    2    HA   TYR  67           HA       TYR  67  -0.897   3.426   5.309
    3    HB2  TYR  67           HB2      TYR  67  -1.538   1.214   3.440
    4    HB3  TYR  67           HB3      TYR  67  -0.199   0.962   4.550
    5    HD1  TYR  67           HD1      TYR  67  -3.796   1.072   4.187
    6    HD2  TYR  67           HD2      TYR  67  -0.613   1.059   7.011
    7    HE1  TYR  67           HE1      TYR  67  -5.336   0.309   5.921
    8    HE2  TYR  67           HE2      TYR  67  -2.169   0.324   8.770
    9    HH   TYR  67           HH       TYR  67  -4.647   0.434   9.199

  No H/Q in entry =           9
  In of MODEL   27
    1    H    TYR  68           H        TYR  68   1.077   4.161   5.597
    2    HA   TYR  68           HA       TYR  68   3.087   3.592   3.522
    3    HB2  TYR  68           HB2      TYR  68   3.947   5.883   3.632
    4    HB3  TYR  68           HB3      TYR  68   2.254   5.882   3.131
    5    HD1  TYR  68           HD1      TYR  68   0.520   6.710   4.684
    6    HD2  TYR  68           HD2      TYR  68   4.654   6.904   5.657
    7    HE1  TYR  68           HE1      TYR  68   0.024   8.376   6.426
    8    HE2  TYR  68           HE2      TYR  68   4.173   8.552   7.412
    9    HH   TYR  68           HH       TYR  68   1.148   9.134   8.631

  No H/Q in entry =           9
  In of MODEL   27
    1    H    THR  69           H        THR  69   5.335   4.118   4.244
    2    HA   THR  69           HA       THR  69   5.831   4.272   7.078
    3    HB   THR  69           HB       THR  69   5.362   1.822   6.773
    4    HG1  THR  69           HG1      THR  69   6.733   2.333   8.441
    5   HG21  THR  69          HG21      THR  69   7.776   1.970   4.964
    6   HG22  THR  69          HG22      THR  69   7.125   0.471   5.624
    7   HG23  THR  69          HG23      THR  69   6.147   1.451   4.529

  No H/Q in entry =           7
  In of MODEL   27
    1    H    GLU  70           H        GLU  70   7.875   5.041   7.475
    2    HA   GLU  70           HA       GLU  70   9.464   5.918   5.237
    3    HB2  GLU  70           HB2      GLU  70   9.266   7.204   7.391
    4    HB3  GLU  70           HB3      GLU  70  10.203   5.939   8.180
    5    HG2  GLU  70           HG2      GLU  70  12.049   6.424   6.558
    6    HG3  GLU  70           HG3      GLU  70  11.114   7.810   6.013

  No H/Q in entry =           6
  In of MODEL   27
    1    H    PHE  71           H        PHE  71  11.270   4.989   4.390
    2    HA   PHE  71           HA       PHE  71  12.330   2.566   5.584
    3    HB2  PHE  71           HB2      PHE  71  11.848   1.124   3.699
    4    HB3  PHE  71           HB3      PHE  71  10.342   1.785   4.313
    5    HD1  PHE  71           HD1      PHE  71  10.643   4.529   2.951
    6    HD2  PHE  71           HD2      PHE  71  11.088   0.537   1.564
    7    HE1  PHE  71           HE1      PHE  71  10.045   5.252   0.666
    8    HE2  PHE  71           HE2      PHE  71  10.494   1.245  -0.716
    9    HZ   PHE  71           HZ       PHE  71   9.988   3.611  -1.177

  No H/Q in entry =           9
  In of MODEL   27
    1    H    THR  72           H        THR  72  14.258   1.782   4.416
    2    HA   THR  72           HA       THR  72  15.438   3.822   2.651
    3    HB   THR  72           HB       THR  72  16.945   1.982   4.525
    4    HG1  THR  72           HG1      THR  72  15.672   4.373   4.934
    5   HG21  THR  72          HG21      THR  72  18.235   2.706   2.562
    6   HG22  THR  72          HG22      THR  72  17.855   4.390   2.931
    7   HG23  THR  72          HG23      THR  72  18.849   3.444   4.040

  No H/Q in entry =           7
  In of MODEL   27
    1    HA   PRO  73           HA       PRO  73  14.738   0.092  -0.059
    2    HB2  PRO  73           HB2      PRO  73  15.578   1.698  -2.243
    3    HB3  PRO  73           HB3      PRO  73  13.912   1.287  -1.802
    4    HG2  PRO  73           HG2      PRO  73  15.487   3.742  -1.223
    5    HG3  PRO  73           HG3      PRO  73  13.743   3.572  -1.499
    6    HD2  PRO  73           HD2      PRO  73  14.727   3.999   0.954
    7    HD3  PRO  73           HD3      PRO  73  13.342   2.903   0.699

  No H/Q in entry =           7
  In of MODEL   27
    1    H    THR  74           H        THR  74  16.099  -1.289  -1.004
    2    HA   THR  74           HA       THR  74  18.882  -0.535  -1.406
    3    HB   THR  74           HB       THR  74  19.643  -2.647  -0.391
    4    HG1  THR  74           HG1      THR  74  17.367  -3.159   1.031
    5   HG21  THR  74          HG21      THR  74  17.965  -0.980   1.472
    6   HG22  THR  74          HG22      THR  74  19.242  -2.086   1.968
    7   HG23  THR  74          HG23      THR  74  19.640  -0.654   1.010

  No H/Q in entry =           7
  In of MODEL   27
    1    H    GLU  75           H        GLU  75  20.024  -2.276  -2.687
    2    HA   GLU  75           HA       GLU  75  18.592  -3.066  -4.992
    3    HB2  GLU  75           HB2      GLU  75  21.158  -2.737  -4.495
    4    HB3  GLU  75           HB3      GLU  75  21.102  -4.434  -4.071
    5    HG2  GLU  75           HG2      GLU  75  20.363  -3.275  -6.744
    6    HG3  GLU  75           HG3      GLU  75  21.882  -4.069  -6.336

  No H/Q in entry =           6
  In of MODEL   27
    1    H    LYS  76           H        LYS  76  19.571  -4.793  -2.089
    2    HA   LYS  76           HA       LYS  76  18.855  -7.344  -3.226
    3    HB2  LYS  76           HB2      LYS  76  20.278  -6.524  -0.719
    4    HB3  LYS  76           HB3      LYS  76  19.882  -8.200  -1.077
    5    HG2  LYS  76           HG2      LYS  76  21.526  -8.395  -2.598
    6    HG3  LYS  76           HG3      LYS  76  21.232  -6.787  -3.261
    7    HD2  LYS  76           HD2      LYS  76  22.420  -5.794  -1.372
    8    HD3  LYS  76           HD3      LYS  76  22.732  -7.409  -0.727
    9    HE2  LYS  76           HE2      LYS  76  23.995  -7.983  -2.723
   10    HE3  LYS  76           HE3      LYS  76  23.641  -6.401  -3.425
   11    HZ1  LYS  76           HZ1      LYS  76  25.161  -6.823  -0.904
   12    HZ2  LYS  76           HZ2      LYS  76  25.869  -6.553  -2.419
   13    HZ3  LYS  76           HZ3      LYS  76  24.912  -5.349  -1.704

  No H/Q in entry =          13
  In of MODEL   27
    1    H    ASP  77           H        ASP  77  17.475  -5.093  -0.981
    2    HA   ASP  77           HA       ASP  77  15.561  -7.193  -0.171
    3    HB2  ASP  77           HB2      ASP  77  16.612  -5.535   1.574
    4    HB3  ASP  77           HB3      ASP  77  15.408  -4.412   0.951

  No H/Q in entry =           4
  In of MODEL   27
    1    H    GLU  78           H        GLU  78  13.226  -6.095   0.132
    2    HA   GLU  78           HA       GLU  78  12.475  -4.457  -2.109
    3    HB2  GLU  78           HB2      GLU  78  10.825  -6.566  -2.747
    4    HB3  GLU  78           HB3      GLU  78  12.353  -6.251  -3.578
    5    HG2  GLU  78           HG2      GLU  78  13.164  -7.805  -1.489
    6    HG3  GLU  78           HG3      GLU  78  11.539  -8.413  -1.765

  No H/Q in entry =           6
  In of MODEL   27
    1    H    TYR  79           H        TYR  79  10.354  -3.595  -1.720
    2    HA   TYR  79           HA       TYR  79   9.123  -4.682   0.692
    3    HB2  TYR  79           HB2      TYR  79   8.775  -1.796  -0.144
    4    HB3  TYR  79           HB3      TYR  79   8.391  -2.548   1.409
    5    HD1  TYR  79           HD1      TYR  79   9.671  -1.758   3.120
    6    HD2  TYR  79           HD2      TYR  79  11.515  -2.254  -0.682
    7    HE1  TYR  79           HE1      TYR  79  11.815  -0.980   4.061
    8    HE2  TYR  79           HE2      TYR  79  13.658  -1.497   0.251
    9    HH   TYR  79           HH       TYR  79  14.513  -0.203   2.139

  No H/Q in entry =           9
  In of MODEL   27
    1    H    ALA  80           H        ALA  80   6.816  -4.781   0.717
    2    HA   ALA  80           HA       ALA  80   5.688  -4.664  -2.002
    3    HB1  ALA  80           HB1      ALA  80   6.425  -6.958  -1.576
    4    HB2  ALA  80           HB2      ALA  80   4.667  -6.849  -1.698
    5    HB3  ALA  80           HB3      ALA  80   5.429  -6.999  -0.115

  No H/Q in entry =           5
  In of MODEL   27
    1    H    CYS  81           H        CYS  81   3.319  -4.783  -2.019
    2    HA   CYS  81           HA       CYS  81   2.155  -3.688   0.456
    3    HB2  CYS  81           HB2      CYS  81   1.851  -2.978  -2.407
    4    HB3  CYS  81           HB3      CYS  81   0.385  -2.959  -1.436

  No H/Q in entry =           4
  In of MODEL   27
    1    H    ARG  82           H        ARG  82   0.540  -4.815   1.349
    2    HA   ARG  82           HA       ARG  82  -0.708  -7.032  -0.180
    3    HB2  ARG  82           HB2      ARG  82   0.761  -7.557   1.887
    4    HB3  ARG  82           HB3      ARG  82  -0.518  -6.798   2.807
    5    HG2  ARG  82           HG2      ARG  82  -2.014  -8.520   1.522
    6    HG3  ARG  82           HG3      ARG  82  -0.491  -9.396   1.408
    7    HD2  ARG  82           HD2      ARG  82  -1.990  -8.542   3.856
    8    HD3  ARG  82           HD3      ARG  82  -1.498 -10.167   3.396
    9    HE   ARG  82           HE       ARG  82   0.570  -8.200   4.053
   10   HH11  ARG  82          HH11      ARG  82  -1.225 -11.098   4.867
   11   HH12  ARG  82          HH12      ARG  82  -0.207 -11.497   6.219
   12   HH21  ARG  82          HH21      ARG  82   1.893  -8.702   5.840
   13   HH22  ARG  82          HH22      ARG  82   1.608 -10.176   6.731

  No H/Q in entry =          13
  In of MODEL   27
    1    H    VAL  83           H        VAL  83  -2.972  -7.091  -0.181
    2    HA   VAL  83           HA       VAL  83  -4.312  -5.445   1.852
    3    HB   VAL  83           HB       VAL  83  -5.830  -4.419   0.470
    4   HG11  VAL  83          HG11      VAL  83  -3.276  -4.563  -1.067
    5   HG12  VAL  83          HG12      VAL  83  -4.571  -3.413  -1.389
    6   HG13  VAL  83          HG13      VAL  83  -3.739  -3.391   0.167
    7   HG21  VAL  83          HG21      VAL  83  -6.569  -6.375  -0.775
    8   HG22  VAL  83          HG22      VAL  83  -6.290  -5.006  -1.850
    9   HG23  VAL  83          HG23      VAL  83  -5.106  -6.310  -1.759

  No H/Q in entry =           9
  In of MODEL   27
    1    H    ASN  84           H        ASN  84  -6.135  -6.218   2.642
    2    HA   ASN  84           HA       ASN  84  -7.009  -8.872   1.691
    3    HB2  ASN  84           HB2      ASN  84  -5.954  -9.165   3.864
    4    HB3  ASN  84           HB3      ASN  84  -6.880  -7.826   4.541
    5   HD21  ASN  84          HD21      ASN  84  -8.135  -8.737   6.098
    6   HD22  ASN  84          HD22      ASN  84  -9.130 -10.148   5.884

  No H/Q in entry =           6
  In of MODEL   27
    1    H    HIS  85           H        HIS  85  -8.818  -8.382   0.475
    2    HA   HIS  85           HA       HIS  85 -11.025  -7.284   2.084
    3    HB2  HIS  85           HB2      HIS  85 -10.142  -5.912   0.026
    4    HB3  HIS  85           HB3      HIS  85 -11.014  -7.119  -0.912
    5    HD2  HIS  85           HD2      HIS  85 -11.858  -4.513   1.935
    6    HE1  HIS  85           HE1      HIS  85 -15.244  -5.159  -0.525
    7    HE2  HIS  85           HE2      HIS  85 -14.344  -3.905   1.490

  No H/Q in entry =           7
  In of MODEL   27
    1    H    VAL  86           H        VAL  86 -13.159  -8.171   1.396
    2    HA   VAL  86           HA       VAL  86 -13.043 -10.994   1.320
    3    HB   VAL  86           HB       VAL  86 -15.474 -10.946   1.252
    4   HG11  VAL  86          HG11      VAL  86 -14.332  -8.835   3.079
    5   HG12  VAL  86          HG12      VAL  86 -15.897  -9.625   3.279
    6   HG13  VAL  86          HG13      VAL  86 -14.412 -10.568   3.398
    7   HG21  VAL  86          HG21      VAL  86 -15.690  -9.101  -0.385
    8   HG22  VAL  86          HG22      VAL  86 -16.740  -8.905   1.021
    9   HG23  VAL  86          HG23      VAL  86 -15.257  -7.958   0.887

  No H/Q in entry =           9
  In of MODEL   27
    1    H    THR  87           H        THR  87 -13.134  -8.599  -1.154
    2    HA   THR  87           HA       THR  87 -14.463 -10.094  -3.152
    3    HB   THR  87           HB       THR  87 -13.391  -8.459  -4.701
    4    HG1  THR  87           HG1      THR  87 -12.518  -6.795  -2.734
    5   HG21  THR  87          HG21      THR  87 -14.804  -7.412  -2.266
    6   HG22  THR  87          HG22      THR  87 -14.493  -6.441  -3.707
    7   HG23  THR  87          HG23      THR  87 -15.512  -7.877  -3.813

  No H/Q in entry =           7
  In of MODEL   27
    1    H    LEU  88           H        LEU  88 -11.073  -9.513  -2.393
    2    HA   LEU  88           HA       LEU  88 -10.062 -11.083  -4.537
    3    HB2  LEU  88           HB2      LEU  88  -8.773 -10.133  -1.963
    4    HB3  LEU  88           HB3      LEU  88  -7.904 -10.930  -3.261
    5    HG   LEU  88           HG       LEU  88  -9.284  -8.248  -3.423
    6   HD11  LEU  88          HD11      LEU  88  -7.164  -8.254  -2.158
    7   HD12  LEU  88          HD12      LEU  88  -6.350  -8.963  -3.566
    8   HD13  LEU  88          HD13      LEU  88  -7.053  -7.340  -3.674
    9   HD21  LEU  88          HD21      LEU  88  -7.744  -9.776  -5.517
   10   HD22  LEU  88          HD22      LEU  88  -9.480  -9.457  -5.524
   11   HD23  LEU  88          HD23      LEU  88  -8.336  -8.121  -5.677

  No H/Q in entry =          11
  In of MODEL   27
    1    H    SER  89           H        SER  89 -10.125 -13.240  -4.630
    2    HA   SER  89           HA       SER  89 -11.168 -14.888  -2.649
    3    HB2  SER  89           HB2      SER  89 -10.105 -16.760  -3.991
    4    HB3  SER  89           HB3      SER  89 -11.143 -15.670  -4.907
    5    HG   SER  89           HG       SER  89  -8.473 -16.162  -5.165

  No H/Q in entry =           5
  In of MODEL   27
    1    H    GLN  90           H        GLN  90  -7.889 -13.823  -3.250
    2    HA   GLN  90           HA       GLN  90  -7.105 -14.819  -0.633
    3    HB2  GLN  90           HB2      GLN  90  -5.246 -14.853  -3.020
    4    HB3  GLN  90           HB3      GLN  90  -4.989 -15.595  -1.448
    5    HG2  GLN  90           HG2      GLN  90  -7.075 -16.480  -3.426
    6    HG3  GLN  90           HG3      GLN  90  -5.468 -17.198  -3.288
    7   HE21  GLN  90          HE21      GLN  90  -8.081 -18.427  -2.926
    8   HE22  GLN  90          HE22      GLN  90  -8.096 -19.060  -1.311

  No H/Q in entry =           8
  In of MODEL   27
    1    HA   PRO  91           HA       PRO  91  -5.878 -10.450  -0.217
    2    HB2  PRO  91           HB2      PRO  91  -3.503 -11.794   1.040
    3    HB3  PRO  91           HB3      PRO  91  -4.407 -10.365   1.576
    4    HG2  PRO  91           HG2      PRO  91  -4.832 -12.729   2.724
    5    HG3  PRO  91           HG3      PRO  91  -6.195 -11.616   2.368
    6    HD2  PRO  91           HD2      PRO  91  -5.352 -14.158   1.004
    7    HD3  PRO  91           HD3      PRO  91  -6.996 -13.474   1.182

  No H/Q in entry =           7
  In of MODEL   27
    1    H    LYS  92           H        LYS  92  -4.261  -9.051  -1.089
    2    HA   LYS  92           HA       LYS  92  -2.926 -10.346  -3.367
    3    HB2  LYS  92           HB2      LYS  92  -4.823  -8.867  -3.988
    4    HB3  LYS  92           HB3      LYS  92  -3.994  -7.526  -3.216
    5    HG2  LYS  92           HG2      LYS  92  -3.632  -7.445  -5.599
    6    HG3  LYS  92           HG3      LYS  92  -2.113  -7.823  -4.773
    7    HD2  LYS  92           HD2      LYS  92  -2.111  -9.360  -6.493
    8    HD3  LYS  92           HD3      LYS  92  -2.825 -10.276  -5.164
    9    HE2  LYS  92           HE2      LYS  92  -5.057  -9.793  -6.032
   10    HE3  LYS  92           HE3      LYS  92  -4.338  -8.902  -7.376
   11    HZ1  LYS  92           HZ1      LYS  92  -3.884 -11.779  -6.799
   12    HZ2  LYS  92           HZ2      LYS  92  -4.938 -11.177  -7.984
   13    HZ3  LYS  92           HZ3      LYS  92  -3.267 -10.915  -8.121

  No H/Q in entry =          13
  In of MODEL   27
    1    H    ILE  93           H        ILE  93  -0.801 -10.092  -3.549
    2    HA   ILE  93           HA       ILE  93   0.478  -7.910  -2.047
    3    HB   ILE  93           HB       ILE  93   1.637 -10.597  -2.781
    4   HG12  ILE  93          HG12      ILE  93   2.069 -10.573  -0.214
    5   HG13  ILE  93          HG13      ILE  93   0.819  -9.341  -0.177
    6   HG21  ILE  93          HG21      ILE  93   3.294  -8.840  -3.112
    7   HG22  ILE  93          HG22      ILE  93   3.011  -8.260  -1.468
    8   HG23  ILE  93          HG23      ILE  93   3.709  -9.858  -1.730
    9   HD11  ILE  93          HD11      ILE  93   0.494 -12.131  -1.248
   10   HD12  ILE  93          HD12      ILE  93  -0.046 -11.562   0.330
   11   HD13  ILE  93          HD13      ILE  93  -0.765 -10.902  -1.138

  No H/Q in entry =          11
  In of MODEL   27
    1    H    VAL  94           H        VAL  94   1.566  -6.477  -3.180
    2    HA   VAL  94           HA       VAL  94   2.640  -7.241  -5.803
    3    HB   VAL  94           HB       VAL  94   1.364  -4.573  -5.151
    4   HG11  VAL  94          HG11      VAL  94   3.314  -4.296  -6.583
    5   HG12  VAL  94          HG12      VAL  94   2.686  -5.514  -7.692
    6   HG13  VAL  94          HG13      VAL  94   1.828  -3.987  -7.483
    7   HG21  VAL  94          HG21      VAL  94  -0.284  -6.320  -5.572
    8   HG22  VAL  94          HG22      VAL  94  -0.253  -5.155  -6.896
    9   HG23  VAL  94          HG23      VAL  94   0.522  -6.728  -7.089

  No H/Q in entry =           9
  In of MODEL   27
    1    H    LYS  95           H        LYS  95   4.695  -6.709  -6.081
    2    HA   LYS  95           HA       LYS  95   6.077  -5.580  -3.775
    3    HB2  LYS  95           HB2      LYS  95   7.030  -7.052  -6.194
    4    HB3  LYS  95           HB3      LYS  95   8.144  -6.133  -5.190
    5    HG2  LYS  95           HG2      LYS  95   7.287  -7.464  -3.227
    6    HG3  LYS  95           HG3      LYS  95   6.509  -8.524  -4.407
    7    HD2  LYS  95           HD2      LYS  95   8.539  -9.217  -5.311
    8    HD3  LYS  95           HD3      LYS  95   9.418  -7.845  -4.642
    9    HE2  LYS  95           HE2      LYS  95  10.052  -9.786  -3.404
   10    HE3  LYS  95           HE3      LYS  95   9.031  -8.800  -2.363
   11    HZ1  LYS  95           HZ1      LYS  95   8.130 -11.190  -3.890
   12    HZ2  LYS  95           HZ2      LYS  95   8.469 -11.152  -2.232
   13    HZ3  LYS  95           HZ3      LYS  95   7.169 -10.261  -2.847

  No H/Q in entry =          13
  In of MODEL   27
    1    H    TRP  96           H        TRP  96   7.128  -3.710  -3.729
    2    HA   TRP  96           HA       TRP  96   6.175  -1.667  -5.446
    3    HB2  TRP  96           HB2      TRP  96   6.605  -1.130  -3.136
    4    HB3  TRP  96           HB3      TRP  96   8.281  -1.673  -3.247
    5    HD1  TRP  96           HD1      TRP  96   6.031   1.154  -4.674
    6    HE1  TRP  96           HE1      TRP  96   7.524   3.223  -5.032
    7    HE3  TRP  96           HE3      TRP  96  10.547  -0.873  -3.398
    8    HZ2  TRP  96           HZ2      TRP  96  10.242   3.900  -4.800
    9    HZ3  TRP  96           HZ3      TRP  96  12.551   0.544  -3.495
   10    HH2  TRP  96           HH2      TRP  96  12.393   2.905  -4.181

  No H/Q in entry =          10
  In of MODEL   27
    1    H    ASP  97           H        ASP  97   6.995  -0.815  -7.204
    2    HA   ASP  97           HA       ASP  97   9.760  -1.474  -7.956
    3    HB2  ASP  97           HB2      ASP  97   9.107  -1.809 -10.224
    4    HB3  ASP  97           HB3      ASP  97   7.979  -2.747  -9.248

  No H/Q in entry =           4
  In of MODEL   27
    1    H    ARG  98           H        ARG  98  10.891   0.137  -9.049
    2    HA   ARG  98           HA       ARG  98   9.582   2.770  -9.070
    3    HB2  ARG  98           HB2      ARG  98  11.959   3.647  -9.016
    4    HB3  ARG  98           HB3      ARG  98  11.392   2.873  -7.555
    5    HG2  ARG  98           HG2      ARG  98  12.969   1.324  -9.601
    6    HG3  ARG  98           HG3      ARG  98  13.793   2.380  -8.474
    7    HD2  ARG  98           HD2      ARG  98  13.785   0.758  -6.917
    8    HD3  ARG  98           HD3      ARG  98  12.010   0.688  -7.003
    9    HE   ARG  98           HE       ARG  98  13.369  -0.732  -9.111
   10   HH11  ARG  98          HH11      ARG  98  12.065  -0.907  -5.864
   11   HH12  ARG  98          HH12      ARG  98  11.985  -2.639  -5.851
   12   HH21  ARG  98          HH21      ARG  98  13.291  -3.033  -9.065
   13   HH22  ARG  98          HH22      ARG  98  12.692  -3.844  -7.647

  No H/Q in entry =          13
  In of MODEL   27
    1    H    ASP  99           H        ASP  99  11.451   0.467 -10.948
    2    HA   ASP  99           HA       ASP  99  11.101   2.217 -13.296
    3    HB2  ASP  99           HB2      ASP  99  13.423   2.400 -12.262
    4    HB3  ASP  99           HB3      ASP  99  13.667   0.723 -12.736

  No H/Q in entry =           4
  In of MODEL   27
    1    H    MET 100           H        MET 100  10.905  -0.822 -11.886
    2    HA   MET 100           HA       MET 100  11.126  -2.213 -14.464
    3    HB2  MET 100           HB2      MET 100  11.304  -4.253 -12.651
    4    HB3  MET 100           HB3      MET 100  12.708  -3.349 -13.234
    5    HG2  MET 100           HG2      MET 100  11.226  -2.402 -10.823
    6    HG3  MET 100           HG3      MET 100  12.358  -3.752 -10.691
    7    HE1  MET 100           HE1      MET 100  14.961  -3.529 -11.361
    8    HE2  MET 100           HE2      MET 100  14.519  -2.851 -12.929
    9    HE3  MET 100           HE3      MET 100  15.695  -2.022 -11.908

  No H/Q in entry =           9
  In of MODEL   28
    1    HA   ILE   2           HA       ILE   2 -22.069  -8.216  -5.581
    2    HB   ILE   2           HB       ILE   2 -22.551  -8.906  -3.225
    3   HG12  ILE   2          HG12      ILE   2 -21.342 -11.550  -4.092
    4   HG13  ILE   2          HG13      ILE   2 -20.689 -10.472  -2.860
    5   HG21  ILE   2          HG21      ILE   2 -23.482 -10.824  -5.358
    6   HG22  ILE   2          HG22      ILE   2 -24.260 -10.573  -3.795
    7   HG23  ILE   2          HG23      ILE   2 -24.197  -9.259  -4.971
    8   HD11  ILE   2          HD11      ILE   2 -23.314 -11.936  -2.715
    9   HD12  ILE   2          HD12      ILE   2 -21.829 -12.358  -1.860
   10   HD13  ILE   2          HD13      ILE   2 -22.666 -10.852  -1.484

  No H/Q in entry =          10
  In of MODEL   28
    1    H    GLN   3           H        GLN   3 -21.318  -6.701  -3.979
    2    HA   GLN   3           HA       GLN   3 -19.738  -5.354  -3.124
    3    HB2  GLN   3           HB2      GLN   3 -19.361  -7.425  -1.647
    4    HB3  GLN   3           HB3      GLN   3 -17.991  -7.788  -2.689
    5    HG2  GLN   3           HG2      GLN   3 -17.385  -6.598  -0.586
    6    HG3  GLN   3           HG3      GLN   3 -16.884  -5.769  -2.065
    7   HE21  GLN   3          HE21      GLN   3 -19.089  -5.727   0.632
    8   HE22  GLN   3          HE22      GLN   3 -19.625  -4.094   0.415

  No H/Q in entry =           8
  In of MODEL   28
    1    H    ARG   4           H        ARG   4 -17.270  -4.755  -3.424
    2    HA   ARG   4           HA       ARG   4 -16.656  -5.213  -6.263
    3    HB2  ARG   4           HB2      ARG   4 -17.640  -3.033  -6.081
    4    HB3  ARG   4           HB3      ARG   4 -16.658  -2.642  -4.680
    5    HG2  ARG   4           HG2      ARG   4 -14.736  -2.266  -5.944
    6    HG3  ARG   4           HG3      ARG   4 -15.352  -3.188  -7.327
    7    HD2  ARG   4           HD2      ARG   4 -15.329  -0.651  -7.552
    8    HD3  ARG   4           HD3      ARG   4 -16.839  -1.473  -7.942
    9    HE   ARG   4           HE       ARG   4 -17.258  -0.828  -5.381
   10   HH11  ARG   4          HH11      ARG   4 -15.946   1.062  -8.010
   11   HH12  ARG   4          HH12      ARG   4 -16.618   2.565  -7.459
   12   HH21  ARG   4          HH21      ARG   4 -18.151   1.142  -4.623
   13   HH22  ARG   4          HH22      ARG   4 -17.867   2.612  -5.504

  No H/Q in entry =          13
  In of MODEL   28
    1    H    THR   5           H        THR   5 -14.561  -5.618  -6.754
    2    HA   THR   5           HA       THR   5 -12.902  -6.417  -4.570
    3    HB   THR   5           HB       THR   5 -11.370  -7.288  -6.213
    4    HG1  THR   5           HG1      THR   5 -11.646  -5.341  -7.620
    5   HG21  THR   5          HG21      THR   5 -14.274  -7.687  -6.820
    6   HG22  THR   5          HG22      THR   5 -13.042  -8.466  -7.811
    7   HG23  THR   5          HG23      THR   5 -13.119  -8.794  -6.084

  No H/Q in entry =           7
  In of MODEL   28
    1    HA   PRO   6           HA       PRO   6 -10.616  -2.520  -4.372
    2    HB2  PRO   6           HB2      PRO   6  -8.876  -3.967  -2.513
    3    HB3  PRO   6           HB3      PRO   6  -9.872  -2.538  -2.222
    4    HG2  PRO   6           HG2      PRO   6 -10.443  -4.975  -1.167
    5    HG3  PRO   6           HG3      PRO   6 -11.697  -3.773  -1.562
    6    HD2  PRO   6           HD2      PRO   6 -10.858  -6.230  -3.071
    7    HD3  PRO   6           HD3      PRO   6 -12.477  -5.521  -2.855

  No H/Q in entry =           7
  In of MODEL   28
    1    H    LYS   7           H        LYS   7  -8.485  -1.907  -5.056
    2    HA   LYS   7           HA       LYS   7  -7.032  -4.074  -6.400
    3    HB2  LYS   7           HB2      LYS   7  -8.504  -2.798  -7.993
    4    HB3  LYS   7           HB3      LYS   7  -7.585  -1.350  -7.611
    5    HG2  LYS   7           HG2      LYS   7  -5.576  -2.348  -8.521
    6    HG3  LYS   7           HG3      LYS   7  -6.443  -3.854  -8.831
    7    HD2  LYS   7           HD2      LYS   7  -7.961  -2.616 -10.345
    8    HD3  LYS   7           HD3      LYS   7  -6.984  -1.169 -10.091
    9    HE2  LYS   7           HE2      LYS   7  -5.046  -2.283 -11.038
   10    HE3  LYS   7           HE3      LYS   7  -5.971  -3.773 -11.223
   11    HZ1  LYS   7           HZ1      LYS   7  -7.451  -2.604 -12.748
   12    HZ2  LYS   7           HZ2      LYS   7  -6.521  -1.196 -12.594
   13    HZ3  LYS   7           HZ3      LYS   7  -5.848  -2.584 -13.306

  No H/Q in entry =          13
  In of MODEL   28
    1    H    ILE   8           H        ILE   8  -4.768  -3.658  -6.719
    2    HA   ILE   8           HA       ILE   8  -3.803  -2.100  -4.441
    3    HB   ILE   8           HB       ILE   8  -2.073  -3.948  -6.034
    4   HG12  ILE   8          HG12      ILE   8  -4.057  -5.275  -5.644
    5   HG13  ILE   8          HG13      ILE   8  -2.791  -5.809  -4.551
    6   HG21  ILE   8          HG21      ILE   8  -1.059  -2.582  -4.298
    7   HG22  ILE   8          HG22      ILE   8  -2.199  -3.216  -3.111
    8   HG23  ILE   8          HG23      ILE   8  -1.011  -4.287  -3.854
    9   HD11  ILE   8          HD11      ILE   8  -5.086  -4.011  -3.843
   10   HD12  ILE   8          HD12      ILE   8  -4.934  -5.722  -3.439
   11   HD13  ILE   8          HD13      ILE   8  -3.816  -4.546  -2.743

  No H/Q in entry =          11
  In of MODEL   28
    1    H    GLN   9           H        GLN   9  -3.041  -0.136  -4.848
    2    HA   GLN   9           HA       GLN   9  -1.162   0.083  -7.090
    3    HB2  GLN   9           HB2      GLN   9  -3.209   2.053  -6.127
    4    HB3  GLN   9           HB3      GLN   9  -1.751   2.610  -6.964
    5    HG2  GLN   9           HG2      GLN   9  -2.344   1.216  -8.880
    6    HG3  GLN   9           HG3      GLN   9  -3.798   0.682  -8.041
    7   HE21  GLN   9          HE21      GLN   9  -3.447   2.130 -10.570
    8   HE22  GLN   9          HE22      GLN   9  -4.380   3.584 -10.406

  No H/Q in entry =           8
  In of MODEL   28
    1    H    VAL  10           H        VAL  10   0.823   0.290  -6.405
    2    HA   VAL  10           HA       VAL  10   1.357   1.732  -3.909
    3    HB   VAL  10           HB       VAL  10   1.481  -0.436  -3.044
    4   HG11  VAL  10          HG11      VAL  10   1.264  -1.594  -5.217
    5   HG12  VAL  10          HG12      VAL  10   3.001  -1.396  -5.456
    6   HG13  VAL  10          HG13      VAL  10   2.396  -2.362  -4.104
    7   HG21  VAL  10          HG21      VAL  10   4.275   0.237  -3.961
    8   HG22  VAL  10          HG22      VAL  10   3.497   0.744  -2.461
    9   HG23  VAL  10          HG23      VAL  10   3.885  -0.959  -2.724

  No H/Q in entry =           9
  In of MODEL   28
    1    H    TYR  11           H        TYR  11   3.009   3.040  -3.946
    2    HA   TYR  11           HA       TYR  11   5.215   2.852  -5.735
    3    HB2  TYR  11           HB2      TYR  11   4.763   4.927  -7.013
    4    HB3  TYR  11           HB3      TYR  11   3.566   3.688  -7.343
    5    HD1  TYR  11           HD1      TYR  11   4.159   6.946  -5.735
    6    HD2  TYR  11           HD2      TYR  11   1.256   4.001  -6.740
    7    HE1  TYR  11           HE1      TYR  11   2.365   8.554  -5.247
    8    HE2  TYR  11           HE2      TYR  11  -0.545   5.600  -6.248
    9    HH   TYR  11           HH       TYR  11  -0.066   8.880  -5.960

  No H/Q in entry =           9
  In of MODEL   28
    1    H    SER  12           H        SER  12   6.504   5.071  -5.512
    2    HA   SER  12           HA       SER  12   6.631   5.483  -2.635
    3    HB2  SER  12           HB2      SER  12   8.686   4.935  -3.961
    4    HB3  SER  12           HB3      SER  12   8.525   6.494  -4.762
    5    HG   SER  12           HG       SER  12   9.841   6.110  -2.621

  No H/Q in entry =           5
  In of MODEL   28
    1    H    ARG  13           H        ARG  13   6.479   7.439  -1.627
    2    HA   ARG  13           HA       ARG  13   4.631   9.286  -2.730
    3    HB2  ARG  13           HB2      ARG  13   5.048   8.748  -0.254
    4    HB3  ARG  13           HB3      ARG  13   6.476   9.752  -0.369
    5    HG2  ARG  13           HG2      ARG  13   3.735  10.855  -0.935
    6    HG3  ARG  13           HG3      ARG  13   4.418  10.768   0.682
    7    HD2  ARG  13           HD2      ARG  13   5.570  12.241  -1.675
    8    HD3  ARG  13           HD3      ARG  13   4.821  12.950  -0.251
    9    HE   ARG  13           HE       ARG  13   7.465  11.720  -0.407
   10   HH11  ARG  13          HH11      ARG  13   5.001  13.198   1.599
   11   HH12  ARG  13          HH12      ARG  13   6.122  13.683   2.834
   12   HH21  ARG  13          HH21      ARG  13   8.944  12.353   1.217
   13   HH22  ARG  13          HH22      ARG  13   8.362  13.222   2.614

  No H/Q in entry =          13
  In of MODEL   28
    1    H    HIS  14           H        HIS  14   8.132   9.495  -2.180
    2    HA   HIS  14           HA       HIS  14   8.206  11.613  -4.214
    3    HB2  HIS  14           HB2      HIS  14   9.533  11.463  -1.552
    4    HB3  HIS  14           HB3      HIS  14  10.471  12.169  -2.866
    5    HD2  HIS  14           HD2      HIS  14   7.235  13.418  -3.855
    6    HE1  HIS  14           HE1      HIS  14   8.346  16.007  -0.696
    7    HE2  HIS  14           HE2      HIS  14   6.918  15.755  -2.775

  No H/Q in entry =           7
  In of MODEL   28
    1    HA   PRO  15           HA       PRO  15  11.322   9.417  -6.578
    2    HB2  PRO  15           HB2      PRO  15  13.800  10.593  -5.890
    3    HB3  PRO  15           HB3      PRO  15  12.774  11.001  -7.277
    4    HG2  PRO  15           HG2      PRO  15  13.022  12.392  -4.626
    5    HG3  PRO  15           HG3      PRO  15  12.636  13.063  -6.246
    6    HD2  PRO  15           HD2      PRO  15  10.740  12.734  -4.345
    7    HD3  PRO  15           HD3      PRO  15  10.386  12.499  -6.083

  No H/Q in entry =           7
  In of MODEL   28
    1    H    ALA  16           H        ALA  16  12.199   7.491  -6.264
    2    HA   ALA  16           HA       ALA  16  12.788   6.637  -3.566
    3    HB1  ALA  16           HB1      ALA  16  11.363   5.252  -4.975
    4    HB2  ALA  16           HB2      ALA  16  12.667   5.084  -6.151
    5    HB3  ALA  16           HB3      ALA  16  12.836   4.388  -4.540

  No H/Q in entry =           5
  In of MODEL   28
    1    H    GLU  17           H        GLU  17  14.804   6.450  -2.774
    2    HA   GLU  17           HA       GLU  17  17.010   6.230  -4.691
    3    HB2  GLU  17           HB2      GLU  17  16.518   8.404  -3.051
    4    HB3  GLU  17           HB3      GLU  17  17.708   7.479  -2.132
    5    HG2  GLU  17           HG2      GLU  17  18.145   8.169  -5.011
    6    HG3  GLU  17           HG3      GLU  17  18.534   9.304  -3.728

  No H/Q in entry =           6
  In of MODEL   28
    1    H    ASN  18           H        ASN  18  18.333   4.663  -4.416
    2    HA   ASN  18           HA       ASN  18  17.941   2.806  -2.228
    3    HB2  ASN  18           HB2      ASN  18  18.273   1.596  -4.135
    4    HB3  ASN  18           HB3      ASN  18  19.420   2.747  -4.821
    5   HD21  ASN  18          HD21      ASN  18  20.917   1.218  -5.372
    6   HD22  ASN  18          HD22      ASN  18  21.842   0.328  -4.209

  No H/Q in entry =           6
  In of MODEL   28
    1    H    GLY  19           H        GLY  19  18.994   2.757  -0.416
    2    HA2  GLY  19           HA2      GLY  19  21.678   3.851  -0.170
    3    HA3  GLY  19           HA3      GLY  19  20.731   3.063   1.104

  No H/Q in entry =           3
  In of MODEL   28
    1    H    LYS  20           H        LYS  20  18.404   4.746   0.347
    2    HA   LYS  20           HA       LYS  20  19.122   7.183   1.743
    3    HB2  LYS  20           HB2      LYS  20  19.617   7.425  -0.723
    4    HB3  LYS  20           HB3      LYS  20  17.878   7.362  -0.968
    5    HG2  LYS  20           HG2      LYS  20  19.118   9.301   0.940
    6    HG3  LYS  20           HG3      LYS  20  19.049   9.660  -0.786
    7    HD2  LYS  20           HD2      LYS  20  16.848  10.154  -0.680
    8    HD3  LYS  20           HD3      LYS  20  16.543   8.769   0.378
    9    HE2  LYS  20           HE2      LYS  20  16.029  10.993   1.411
   10    HE3  LYS  20           HE3      LYS  20  17.212  10.057   2.323
   11    HZ1  LYS  20           HZ1      LYS  20  17.885  12.230   0.401
   12    HZ2  LYS  20           HZ2      LYS  20  17.796  12.418   2.082
   13    HZ3  LYS  20           HZ3      LYS  20  18.972  11.400   1.408

  No H/Q in entry =          13
  In of MODEL   28
    1    H    SER  21           H        SER  21  17.556   8.094   2.831
    2    HA   SER  21           HA       SER  21  15.398   6.450   3.546
    3    HB2  SER  21           HB2      SER  21  15.842   9.385   4.038
    4    HB3  SER  21           HB3      SER  21  14.704   8.362   4.916
    5    HG   SER  21           HG       SER  21  16.397   7.233   5.796

  No H/Q in entry =           5
  In of MODEL   28
    1    H    ASN  22           H        ASN  22  13.291   6.411   2.972
    2    HA   ASN  22           HA       ASN  22  12.335   8.324   0.963
    3    HB2  ASN  22           HB2      ASN  22  13.476   6.128  -0.009
    4    HB3  ASN  22           HB3      ASN  22  11.991   5.361   0.531
    5   HD21  ASN  22          HD21      ASN  22  11.901   8.650  -0.641
    6   HD22  ASN  22          HD22      ASN  22  11.129   8.279  -2.142

  No H/Q in entry =           6
  In of MODEL   28
    1    H    PHE  23           H        PHE  23   9.915   7.841   0.504
    2    HA   PHE  23           HA       PHE  23   8.634   6.858   2.968
    3    HB2  PHE  23           HB2      PHE  23   8.043   9.350   1.381
    4    HB3  PHE  23           HB3      PHE  23   6.856   8.635   2.461
    5    HD1  PHE  23           HD1      PHE  23  10.409   9.785   2.493
    6    HD2  PHE  23           HD2      PHE  23   6.721   9.456   4.587
    7    HE1  PHE  23           HE1      PHE  23  11.352  11.095   4.348
    8    HE2  PHE  23           HE2      PHE  23   7.655  10.763   6.450
    9    HZ   PHE  23           HZ       PHE  23   9.977  11.576   6.334

  No H/Q in entry =           9
  In of MODEL   28
    1    H    LEU  24           H        LEU  24   7.196   5.281   2.579
    2    HA   LEU  24           HA       LEU  24   6.602   4.568  -0.185
    3    HB2  LEU  24           HB2      LEU  24   6.955   3.162   2.201
    4    HB3  LEU  24           HB3      LEU  24   5.261   2.973   1.823
    5    HG   LEU  24           HG       LEU  24   7.600   2.160   0.072
    6   HD11  LEU  24          HD11      LEU  24   5.524   0.549   1.558
    7   HD12  LEU  24          HD12      LEU  24   6.757  -0.110   0.482
    8   HD13  LEU  24          HD13      LEU  24   7.229   0.693   1.981
    9   HD21  LEU  24          HD21      LEU  24   4.639   1.894  -0.452
   10   HD22  LEU  24          HD22      LEU  24   5.777   2.901  -1.349
   11   HD23  LEU  24          HD23      LEU  24   5.922   1.144  -1.401

  No H/Q in entry =          11
  In of MODEL   28
    1    H    ASN  25           H        ASN  25   4.523   4.279  -0.969
    2    HA   ASN  25           HA       ASN  25   2.314   5.223   0.700
    3    HB2  ASN  25           HB2      ASN  25   3.103   6.334  -1.969
    4    HB3  ASN  25           HB3      ASN  25   1.391   6.205  -1.597
    5   HD21  ASN  25          HD21      ASN  25   0.983   8.363  -1.509
    6   HD22  ASN  25          HD22      ASN  25   1.624   9.405  -0.293

  No H/Q in entry =           6
  In of MODEL   28
    1    H    CYS  26           H        CYS  26   0.726   3.764   0.732
    2    HA   CYS  26           HA       CYS  26   0.470   1.928  -1.553
    3    HB2  CYS  26           HB2      CYS  26   1.421   0.964   0.643
    4    HB3  CYS  26           HB3      CYS  26  -0.217   1.164   1.275

  No H/Q in entry =           4
  In of MODEL   28
    1    H    TYR  27           H        TYR  27  -1.451   2.055  -2.510
    2    HA   TYR  27           HA       TYR  27  -3.596   3.472  -1.072
    3    HB2  TYR  27           HB2      TYR  27  -2.685   3.717  -3.936
    4    HB3  TYR  27           HB3      TYR  27  -4.277   4.245  -3.418
    5    HD1  TYR  27           HD1      TYR  27  -4.568   6.298  -2.209
    6    HD2  TYR  27           HD2      TYR  27  -0.653   4.915  -3.152
    7    HE1  TYR  27           HE1      TYR  27  -3.661   8.531  -1.727
    8    HE2  TYR  27           HE2      TYR  27   0.258   7.133  -2.662
    9    HH   TYR  27           HH       TYR  27  -0.680   9.547  -2.672

  No H/Q in entry =           9
  In of MODEL   28
    1    H    VAL  28           H        VAL  28  -5.091   1.994  -0.624
    2    HA   VAL  28           HA       VAL  28  -5.945   0.233  -2.829
    3    HB   VAL  28           HB       VAL  28  -6.597  -0.383   0.034
    4   HG11  VAL  28          HG11      VAL  28  -7.745  -1.594  -1.751
    5   HG12  VAL  28          HG12      VAL  28  -6.190  -2.106  -2.403
    6   HG13  VAL  28          HG13      VAL  28  -6.709  -2.668  -0.813
    7   HG21  VAL  28          HG21      VAL  28  -4.027  -1.102  -1.365
    8   HG22  VAL  28          HG22      VAL  28  -4.209  -0.159   0.117
    9   HG23  VAL  28          HG23      VAL  28  -4.612  -1.880   0.109

  No H/Q in entry =           9
  In of MODEL   28
    1    H    SER  29           H        SER  29  -7.703   1.132  -3.698
    2    HA   SER  29           HA       SER  29  -9.858   2.017  -1.937
    3    HB2  SER  29           HB2      SER  29  -8.693   3.790  -4.095
    4    HB3  SER  29           HB3      SER  29 -10.073   4.174  -3.064
    5    HG   SER  29           HG       SER  29  -7.972   3.436  -1.559

  No H/Q in entry =           5
  In of MODEL   28
    1    H    GLY  30           H        GLY  30 -11.783   2.796  -3.389
    2    HA2  GLY  30           HA2      GLY  30 -11.980   1.257  -5.860
    3    HA3  GLY  30           HA3      GLY  30 -13.155   2.423  -5.267

  No H/Q in entry =           3
  In of MODEL   28
    1    H    PHE  31           H        PHE  31 -12.964   1.122  -2.562
    2    HA   PHE  31           HA       PHE  31 -14.495  -1.317  -3.161
    3    HB2  PHE  31           HB2      PHE  31 -13.486  -2.354  -1.177
    4    HB3  PHE  31           HB3      PHE  31 -12.226  -1.819  -2.310
    5    HD1  PHE  31           HD1      PHE  31 -10.804   0.067  -1.788
    6    HD2  PHE  31           HD2      PHE  31 -13.777  -1.244   0.951
    7    HE1  PHE  31           HE1      PHE  31  -9.753   1.398  -0.012
    8    HE2  PHE  31           HE2      PHE  31 -12.722   0.077   2.735
    9    HZ   PHE  31           HZ       PHE  31 -10.710   1.401   2.246

  No H/Q in entry =           9
  In of MODEL   28
    1    H    HIS  32           H        HIS  32 -15.418  -2.103  -0.897
    2    HA   HIS  32           HA       HIS  32 -16.370  -0.098   0.886
    3    HB2  HIS  32           HB2      HIS  32 -18.024   0.411  -0.854
    4    HB3  HIS  32           HB3      HIS  32 -18.393  -1.296  -1.077
    5    HD2  HIS  32           HD2      HIS  32 -20.187  -2.377   0.691
    6    HE1  HIS  32           HE1      HIS  32 -21.007   1.256   2.696
    7    HE2  HIS  32           HE2      HIS  32 -21.860  -1.077   2.186

  No H/Q in entry =           7
  In of MODEL   28
    1    HA   PRO  33           HA       PRO  33 -18.310  -0.406   2.756
    2    HB2  PRO  33           HB2      PRO  33 -17.590  -0.770   5.340
    3    HB3  PRO  33           HB3      PRO  33 -18.958  -1.603   4.594
    4    HG2  PRO  33           HG2      PRO  33 -16.167  -2.591   5.050
    5    HG3  PRO  33           HG3      PRO  33 -17.707  -3.413   5.364
    6    HD2  PRO  33           HD2      PRO  33 -16.269  -3.938   3.168
    7    HD3  PRO  33           HD3      PRO  33 -18.044  -3.915   3.130

  No H/Q in entry =           7
  In of MODEL   28
    1    H    SER  34           H        SER  34 -17.466   1.163   4.527
    2    HA   SER  34           HA       SER  34 -15.211   2.497   3.487
    3    HB2  SER  34           HB2      SER  34 -15.547   4.050   5.440
    4    HB3  SER  34           HB3      SER  34 -17.002   3.747   4.481
    5    HG   SER  34           HG       SER  34 -16.338   2.812   7.053

  No H/Q in entry =           5
  In of MODEL   28
    1    H    ASP  35           H        ASP  35 -14.276  -0.075   4.295
    2    HA   ASP  35           HA       ASP  35 -11.915   0.808   5.617
    3    HB2  ASP  35           HB2      ASP  35 -11.987  -0.270   7.685
    4    HB3  ASP  35           HB3      ASP  35 -13.632   0.338   7.539

  No H/Q in entry =           4
  In of MODEL   28
    1    H    ILE  36           H        ILE  36 -10.232  -0.402   5.056
    2    HA   ILE  36           HA       ILE  36 -10.570  -3.254   4.482
    3    HB   ILE  36           HB       ILE  36 -10.469  -1.916   2.268
    4   HG12  ILE  36          HG12      ILE  36  -8.618  -4.153   3.042
    5   HG13  ILE  36          HG13      ILE  36 -10.070  -4.216   2.052
    6   HG21  ILE  36          HG21      ILE  36  -7.649  -1.548   3.262
    7   HG22  ILE  36          HG22      ILE  36  -8.140  -1.311   1.581
    8   HG23  ILE  36          HG23      ILE  36  -8.802  -0.278   2.848
    9   HD11  ILE  36          HD11      ILE  36  -7.459  -2.968   1.206
   10   HD12  ILE  36          HD12      ILE  36  -7.997  -4.588   0.769
   11   HD13  ILE  36          HD13      ILE  36  -8.895  -3.178   0.205

  No H/Q in entry =          11
  In of MODEL   28
    1    H    GLU  37           H        GLU  37  -8.559  -4.444   4.928
    2    HA   GLU  37           HA       GLU  37  -6.655  -2.843   6.454
    3    HB2  GLU  37           HB2      GLU  37  -7.902  -4.791   7.543
    4    HB3  GLU  37           HB3      GLU  37  -6.995  -5.832   6.463
    5    HG2  GLU  37           HG2      GLU  37  -4.910  -5.091   7.450
    6    HG3  GLU  37           HG3      GLU  37  -5.790  -4.008   8.523

  No H/Q in entry =           6
  In of MODEL   28
    1    H    VAL  38           H        VAL  38  -4.791  -2.495   5.525
    2    HA   VAL  38           HA       VAL  38  -3.723  -4.475   3.670
    3    HB   VAL  38           HB       VAL  38  -4.008  -3.129   1.926
    4   HG11  VAL  38          HG11      VAL  38  -5.751  -1.953   3.086
    5   HG12  VAL  38          HG12      VAL  38  -4.572  -0.867   3.818
    6   HG13  VAL  38          HG13      VAL  38  -4.834  -0.837   2.072
    7   HG21  VAL  38          HG21      VAL  38  -2.038  -1.302   3.300
    8   HG22  VAL  38          HG22      VAL  38  -1.651  -2.636   2.216
    9   HG23  VAL  38          HG23      VAL  38  -2.486  -1.209   1.595

  No H/Q in entry =           9
  In of MODEL   28
    1    H    ASP  39           H        ASP  39  -1.584  -4.788   3.758
    2    HA   ASP  39           HA       ASP  39  -0.122  -3.331   5.856
    3    HB2  ASP  39           HB2      ASP  39   0.019  -5.172   7.134
    4    HB3  ASP  39           HB3      ASP  39  -1.013  -6.020   5.991

  No H/Q in entry =           4
  In of MODEL   28
    1    H    LEU  40           H        LEU  40   2.164  -3.406   5.655
    2    HA   LEU  40           HA       LEU  40   2.991  -3.638   2.845
    3    HB2  LEU  40           HB2      LEU  40   4.408  -2.059   4.978
    4    HB3  LEU  40           HB3      LEU  40   4.623  -1.960   3.243
    5    HG   LEU  40           HG       LEU  40   2.205  -1.035   4.786
    6   HD11  LEU  40          HD11      LEU  40   4.356   0.474   3.313
    7   HD12  LEU  40          HD12      LEU  40   2.913   1.192   4.031
    8   HD13  LEU  40          HD13      LEU  40   4.122   0.422   5.062
    9   HD21  LEU  40          HD21      LEU  40   2.775  -0.996   1.835
   10   HD22  LEU  40          HD22      LEU  40   1.460  -1.837   2.660
   11   HD23  LEU  40          HD23      LEU  40   1.494  -0.070   2.618

  No H/Q in entry =          11
  In of MODEL   28
    1    H    LEU  41           H        LEU  41   4.739  -4.816   2.287
    2    HA   LEU  41           HA       LEU  41   5.845  -6.522   4.413
    3    HB2  LEU  41           HB2      LEU  41   5.699  -7.292   1.531
    4    HB3  LEU  41           HB3      LEU  41   5.999  -8.311   2.907
    5    HG   LEU  41           HG       LEU  41   3.362  -6.958   2.393
    6   HD11  LEU  41          HD11      LEU  41   3.885  -8.549   0.616
    7   HD12  LEU  41          HD12      LEU  41   4.224  -9.791   1.821
    8   HD13  LEU  41          HD13      LEU  41   2.590  -9.152   1.647
    9   HD21  LEU  41          HD21      LEU  41   4.200  -9.152   4.283
   10   HD22  LEU  41          HD22      LEU  41   3.808  -7.491   4.727
   11   HD23  LEU  41          HD23      LEU  41   2.557  -8.546   4.071

  No H/Q in entry =          11
  In of MODEL   28
    1    H    LYS  42           H        LYS  42   7.732  -7.749   3.428
    2    HA   LYS  42           HA       LYS  42   9.649  -6.186   1.955
    3    HB2  LYS  42           HB2      LYS  42  10.093  -6.825   4.855
    4    HB3  LYS  42           HB3      LYS  42  11.434  -6.605   3.744
    5    HG2  LYS  42           HG2      LYS  42  10.916  -4.357   3.387
    6    HG3  LYS  42           HG3      LYS  42   9.299  -4.522   4.081
    7    HD2  LYS  42           HD2      LYS  42  10.328  -4.950   6.295
    8    HD3  LYS  42           HD3      LYS  42  11.929  -4.777   5.561
    9    HE2  LYS  42           HE2      LYS  42  11.436  -2.465   5.003
   10    HE3  LYS  42           HE3      LYS  42   9.811  -2.633   5.665
   11    HZ1  LYS  42           HZ1      LYS  42  10.795  -3.056   7.844
   12    HZ2  LYS  42           HZ2      LYS  42  12.347  -2.859   7.192
   13    HZ3  LYS  42           HZ3      LYS  42  11.277  -1.549   7.229

  No H/Q in entry =          13
  In of MODEL   28
    1    H    ASN  43           H        ASN  43   9.911  -7.736   0.461
    2    HA   ASN  43           HA       ASN  43  10.476  -9.686  -0.544
    3    HB2  ASN  43           HB2      ASN  43  11.873 -10.073   2.084
    4    HB3  ASN  43           HB3      ASN  43  11.886 -11.339   0.865
    5   HD21  ASN  43          HD21      ASN  43  14.056  -9.745   1.986
    6   HD22  ASN  43          HD22      ASN  43  14.829  -8.985   0.633

  No H/Q in entry =           6
  In of MODEL   28
    1    H    GLY  44           H        GLY  44   8.626  -9.739   2.314
    2    HA2  GLY  44           HA2      GLY  44   7.821 -12.513   2.066
    3    HA3  GLY  44           HA3      GLY  44   6.621 -11.326   1.561

  No H/Q in entry =           3
  In of MODEL   28
    1    H    GLU  45           H        GLU  45   8.371  -9.900   3.961
    2    HA   GLU  45           HA       GLU  45   6.855 -11.144   6.136
    3    HB2  GLU  45           HB2      GLU  45   9.263  -9.363   6.241
    4    HB3  GLU  45           HB3      GLU  45   8.611 -10.328   7.561
    5    HG2  GLU  45           HG2      GLU  45   9.719 -11.423   5.005
    6    HG3  GLU  45           HG3      GLU  45  10.622 -11.247   6.485

  No H/Q in entry =           6
  In of MODEL   28
    1    H    ARG  46           H        ARG  46   5.703  -9.927   7.578
    2    HA   ARG  46           HA       ARG  46   4.551  -7.535   6.612
    3    HB2  ARG  46           HB2      ARG  46   3.329  -9.195   7.946
    4    HB3  ARG  46           HB3      ARG  46   4.387  -8.880   9.316
    5    HG2  ARG  46           HG2      ARG  46   3.478  -6.712   9.639
    6    HG3  ARG  46           HG3      ARG  46   2.632  -6.760   8.093
    7    HD2  ARG  46           HD2      ARG  46   1.069  -8.377   8.893
    8    HD3  ARG  46           HD3      ARG  46   2.042  -8.682  10.338
    9    HE   ARG  46           HE       ARG  46   1.459  -6.204  10.821
   10   HH11  ARG  46          HH11      ARG  46  -0.610  -8.548   9.269
   11   HH12  ARG  46          HH12      ARG  46  -2.086  -7.816   9.810
   12   HH21  ARG  46          HH21      ARG  46  -0.476  -5.246  11.588
   13   HH22  ARG  46          HH22      ARG  46  -2.013  -5.945  11.152

  No H/Q in entry =          13
  In of MODEL   28
    1    H    ILE  47           H        ILE  47   4.896  -5.455   7.099
    2    HA   ILE  47           HA       ILE  47   7.108  -4.771   8.890
    3    HB   ILE  47           HB       ILE  47   5.505  -2.989   7.039
    4   HG12  ILE  47          HG12      ILE  47   8.322  -4.000   6.683
    5   HG13  ILE  47          HG13      ILE  47   6.924  -4.747   5.911
    6   HG21  ILE  47          HG21      ILE  47   8.035  -2.465   8.598
    7   HG22  ILE  47          HG22      ILE  47   7.321  -1.364   7.417
    8   HG23  ILE  47          HG23      ILE  47   6.449  -1.755   8.901
    9   HD11  ILE  47          HD11      ILE  47   6.451  -2.642   4.761
   10   HD12  ILE  47          HD12      ILE  47   7.868  -1.916   5.519
   11   HD13  ILE  47          HD13      ILE  47   8.063  -3.252   4.383

  No H/Q in entry =          11
  In of MODEL   28
    1    H    GLU  48           H        GLU  48   6.820  -3.630  10.740
    2    HA   GLU  48           HA       GLU  48   4.059  -3.489  11.662
    3    HB2  GLU  48           HB2      GLU  48   5.252  -3.110  13.932
    4    HB3  GLU  48           HB3      GLU  48   5.212  -4.720  13.232
    5    HG2  GLU  48           HG2      GLU  48   7.519  -2.831  13.032
    6    HG3  GLU  48           HG3      GLU  48   7.370  -4.055  14.266

  No H/Q in entry =           6
  In of MODEL   28
    1    H    LYS  49           H        LYS  49   6.909  -1.381  11.343
    2    HA   LYS  49           HA       LYS  49   5.959   0.876  12.584
    3    HB2  LYS  49           HB2      LYS  49   7.625   0.894  10.077
    4    HB3  LYS  49           HB3      LYS  49   7.613   2.092  11.367
    5    HG2  LYS  49           HG2      LYS  49   8.234  -0.232  12.692
    6    HG3  LYS  49           HG3      LYS  49   9.077  -0.401  11.143
    7    HD2  LYS  49           HD2      LYS  49  10.218   1.665  11.460
    8    HD3  LYS  49           HD3      LYS  49   9.275   2.021  12.908
    9    HE2  LYS  49           HE2      LYS  49  11.568   1.193  13.386
   10    HE3  LYS  49           HE3      LYS  49  10.294   0.197  14.088
   11    HZ1  LYS  49           HZ1      LYS  49  11.447  -0.485  11.456
   12    HZ2  LYS  49           HZ2      LYS  49  12.238  -0.944  12.885
   13    HZ3  LYS  49           HZ3      LYS  49  10.665  -1.492  12.572

  No H/Q in entry =          13
  In of MODEL   28
    1    H    VAL  50           H        VAL  50   4.536  -0.514   9.905
    2    HA   VAL  50           HA       VAL  50   3.865   1.640   8.273
    3    HB   VAL  50           HB       VAL  50   2.214  -0.813   8.874
    4   HG11  VAL  50          HG11      VAL  50   0.946   1.005   7.766
    5   HG12  VAL  50          HG12      VAL  50   2.148   1.008   6.466
    6   HG13  VAL  50          HG13      VAL  50   1.147  -0.419   6.733
    7   HG21  VAL  50          HG21      VAL  50   4.484  -1.335   8.141
    8   HG22  VAL  50          HG22      VAL  50   3.296  -1.768   6.916
    9   HG23  VAL  50          HG23      VAL  50   4.264  -0.311   6.721

  No H/Q in entry =           9
  In of MODEL   28
    1    H    GLU  51           H        GLU  51   2.379   3.211   8.331
    2    HA   GLU  51           HA       GLU  51   0.358   3.160  10.465
    3    HB2  GLU  51           HB2      GLU  51   1.906   5.604   9.568
    4    HB3  GLU  51           HB3      GLU  51   0.594   5.586  10.738
    5    HG2  GLU  51           HG2      GLU  51   1.928   4.267  12.263
    6    HG3  GLU  51           HG3      GLU  51   3.239   4.197  11.084

  No H/Q in entry =           6
  In of MODEL   28
    1    H    HIS  52           H        HIS  52  -1.595   4.074   9.934
    2    HA   HIS  52           HA       HIS  52  -1.968   4.788   7.108
    3    HB2  HIS  52           HB2      HIS  52  -4.361   4.166   7.373
    4    HB3  HIS  52           HB3      HIS  52  -3.249   2.820   7.573
    5    HD2  HIS  52           HD2      HIS  52  -2.769   2.367  10.515
    6    HE1  HIS  52           HE1      HIS  52  -6.802   3.409  11.253
    7    HE2  HIS  52           HE2      HIS  52  -4.674   2.488  12.274

  No H/Q in entry =           7
  In of MODEL   28
    1    H    SER  53           H        SER  53  -2.679   6.702   6.583
    2    HA   SER  53           HA       SER  53  -2.895   8.716   8.641
    3    HB2  SER  53           HB2      SER  53  -1.692   9.054   6.426
    4    HB3  SER  53           HB3      SER  53  -3.265   9.001   5.633
    5    HG   SER  53           HG       SER  53  -2.057  11.035   6.988

  No H/Q in entry =           5
  In of MODEL   28
    1    H    ASP  54           H        ASP  54  -4.665  10.464   8.192
    2    HA   ASP  54           HA       ASP  54  -7.132   9.574   8.988
    3    HB2  ASP  54           HB2      ASP  54  -6.553  11.898   9.159
    4    HB3  ASP  54           HB3      ASP  54  -6.388  12.041   7.413

  No H/Q in entry =           4
  In of MODEL   28
    1    H    LEU  55           H        LEU  55  -8.865   8.754   8.112
    2    HA   LEU  55           HA       LEU  55  -8.758   7.162   5.900
    3    HB2  LEU  55           HB2      LEU  55 -10.541   7.423   7.862
    4    HB3  LEU  55           HB3      LEU  55 -11.439   8.245   6.609
    5    HG   LEU  55           HG       LEU  55 -12.085   5.887   6.843
    6   HD11  LEU  55          HD11      LEU  55 -12.350   6.960   4.676
    7   HD12  LEU  55          HD12      LEU  55 -10.718   6.472   4.225
    8   HD13  LEU  55          HD13      LEU  55 -11.960   5.249   4.499
    9   HD21  LEU  55          HD21      LEU  55  -9.249   5.313   6.007
   10   HD22  LEU  55          HD22      LEU  55  -9.972   4.966   7.578
   11   HD23  LEU  55          HD23      LEU  55 -10.541   4.119   6.140

  No H/Q in entry =          11
  In of MODEL   28
    1    H    SER  56           H        SER  56 -11.449   9.358   5.602
    2    HA   SER  56           HA       SER  56 -10.668  11.008   3.523
    3    HB2  SER  56           HB2      SER  56 -10.199   8.775   2.387
    4    HB3  SER  56           HB3      SER  56 -11.936   8.480   2.431
    5    HG   SER  56           HG       SER  56 -10.549  10.561   1.080

  No H/Q in entry =           5
  In of MODEL   28
    1    H    PHE  57           H        PHE  57 -12.459  12.104   2.587
    2    HA   PHE  57           HA       PHE  57 -15.005  11.598   3.958
    3    HB2  PHE  57           HB2      PHE  57 -15.560  13.947   3.432
    4    HB3  PHE  57           HB3      PHE  57 -14.085  13.815   4.380
    5    HD1  PHE  57           HD1      PHE  57 -11.865  14.047   3.188
    6    HD2  PHE  57           HD2      PHE  57 -15.582  15.044   1.368
    7    HE1  PHE  57           HE1      PHE  57 -10.679  15.418   1.529
    8    HE2  PHE  57           HE2      PHE  57 -14.400  16.416  -0.298
    9    HZ   PHE  57           HZ       PHE  57 -11.947  16.603  -0.219

  No H/Q in entry =           9
  In of MODEL   28
    1    H    SER  58           H        SER  58 -16.962  11.681   2.791
    2    HA   SER  58           HA       SER  58 -16.899  10.451   0.248
    3    HB2  SER  58           HB2      SER  58 -18.768  10.135   1.817
    4    HB3  SER  58           HB3      SER  58 -19.199  11.837   1.654
    5    HG   SER  58           HG       SER  58 -19.942   9.782   0.116

  No H/Q in entry =           5
  In of MODEL   28
    1    H    LYS  59           H        LYS  59 -17.525  11.249  -1.778
    2    HA   LYS  59           HA       LYS  59 -17.599  14.132  -2.180
    3    HB2  LYS  59           HB2      LYS  59 -15.512  12.391  -3.541
    4    HB3  LYS  59           HB3      LYS  59 -15.724  14.122  -3.749
    5    HG2  LYS  59           HG2      LYS  59 -14.886  14.577  -1.589
    6    HG3  LYS  59           HG3      LYS  59 -14.982  12.879  -1.118
    7    HD2  LYS  59           HD2      LYS  59 -13.152  14.022  -3.231
    8    HD3  LYS  59           HD3      LYS  59 -12.674  13.547  -1.600
    9    HE2  LYS  59           HE2      LYS  59 -13.831  11.707  -3.695
   10    HE3  LYS  59           HE3      LYS  59 -12.125  11.825  -3.268
   11    HZ1  LYS  59           HZ1      LYS  59 -14.270  11.059  -1.361
   12    HZ2  LYS  59           HZ2      LYS  59 -13.298   9.947  -2.194
   13    HZ3  LYS  59           HZ3      LYS  59 -12.603  11.020  -1.081

  No H/Q in entry =          13
  In of MODEL   28
    1    H    ASP  60           H        ASP  60 -16.592  12.881  -5.056
    2    HA   ASP  60           HA       ASP  60 -19.173  11.619  -5.701
    3    HB2  ASP  60           HB2      ASP  60 -18.750  13.650  -7.039
    4    HB3  ASP  60           HB3      ASP  60 -17.212  12.973  -7.571

  No H/Q in entry =           4
  In of MODEL   28
    1    H    TRP  61           H        TRP  61 -15.677  11.557  -6.110
    2    HA   TRP  61           HA       TRP  61 -15.610   8.894  -7.157
    3    HB2  TRP  61           HB2      TRP  61 -13.438  10.581  -5.894
    4    HB3  TRP  61           HB3      TRP  61 -13.171   9.017  -6.654
    5    HD1  TRP  61           HD1      TRP  61 -14.623   9.242  -9.345
    6    HE1  TRP  61           HE1      TRP  61 -13.891  10.939 -11.142
    7    HE3  TRP  61           HE3      TRP  61 -12.137  12.556  -6.351
    8    HZ2  TRP  61           HZ2      TRP  61 -12.441  13.357 -11.263
    9    HZ3  TRP  61           HZ3      TRP  61 -11.098  14.532  -7.368
   10    HH2  TRP  61           HH2      TRP  61 -11.249  14.928  -9.809

  No H/Q in entry =          10
  In of MODEL   28
    1    H    SER  62           H        SER  62 -14.163   7.266  -5.901
    2    HA   SER  62           HA       SER  62 -15.631   6.500  -3.614
    3    HB2  SER  62           HB2      SER  62 -13.099   5.484  -4.902
    4    HB3  SER  62           HB3      SER  62 -13.775   4.733  -3.449
    5    HG   SER  62           HG       SER  62 -15.434   3.985  -4.582

  No H/Q in entry =           5
  In of MODEL   28
    1    H    PHE  63           H        PHE  63 -14.322   5.677  -1.642
    2    HA   PHE  63           HA       PHE  63 -12.939   7.961  -0.474
    3    HB2  PHE  63           HB2      PHE  63 -13.558   5.328   0.883
    4    HB3  PHE  63           HB3      PHE  63 -13.251   6.886   1.638
    5    HD1  PHE  63           HD1      PHE  63 -15.704   4.997  -0.395
    6    HD2  PHE  63           HD2      PHE  63 -15.030   8.352   2.144
    7    HE1  PHE  63           HE1      PHE  63 -18.134   5.369  -0.247
    8    HE2  PHE  63           HE2      PHE  63 -17.466   8.728   2.291
    9    HZ   PHE  63           HZ       PHE  63 -19.010   7.236   1.091

  No H/Q in entry =           9
  In of MODEL   28
    1    H    TYR  64           H        TYR  64 -10.847   7.839   0.334
    2    HA   TYR  64           HA       TYR  64  -9.260   5.648  -0.827
    3    HB2  TYR  64           HB2      TYR  64  -8.271   8.410  -0.083
    4    HB3  TYR  64           HB3      TYR  64  -7.439   7.210  -1.062
    5    HD1  TYR  64           HD1      TYR  64  -8.347   6.680  -3.366
    6    HD2  TYR  64           HD2      TYR  64  -9.752   9.959  -1.046
    7    HE1  TYR  64           HE1      TYR  64  -9.286   7.712  -5.396
    8    HE2  TYR  64           HE2      TYR  64 -10.693  10.995  -3.065
    9    HH   TYR  64           HH       TYR  64 -10.870   9.306  -6.096

  No H/Q in entry =           9
  In of MODEL   28
    1    H    LEU  65           H        LEU  65  -7.715   4.650   0.455
    2    HA   LEU  65           HA       LEU  65  -7.297   5.696   3.151
    3    HB2  LEU  65           HB2      LEU  65  -8.856   4.043   3.633
    4    HB3  LEU  65           HB3      LEU  65  -8.239   2.950   2.410
    5    HG   LEU  65           HG       LEU  65  -6.450   3.538   4.717
    6   HD11  LEU  65          HD11      LEU  65  -8.828   3.248   5.585
    7   HD12  LEU  65          HD12      LEU  65  -8.721   1.595   4.983
    8   HD13  LEU  65          HD13      LEU  65  -7.604   2.154   6.224
    9   HD21  LEU  65          HD21      LEU  65  -5.798   2.033   2.890
   10   HD22  LEU  65          HD22      LEU  65  -5.936   1.173   4.423
   11   HD23  LEU  65          HD23      LEU  65  -7.215   1.034   3.217

  No H/Q in entry =          11
  In of MODEL   28
    1    H    LEU  66           H        LEU  66  -5.239   5.670   3.796
    2    HA   LEU  66           HA       LEU  66  -3.327   4.677   1.795
    3    HB2  LEU  66           HB2      LEU  66  -3.833   7.240   2.244
    4    HB3  LEU  66           HB3      LEU  66  -2.705   6.994   3.545
    5    HG   LEU  66           HG       LEU  66  -2.107   6.497   0.644
    6   HD11  LEU  66          HD11      LEU  66  -2.386   8.883   1.159
    7   HD12  LEU  66          HD12      LEU  66  -1.194   8.732   2.449
    8   HD13  LEU  66          HD13      LEU  66  -0.713   8.486   0.773
    9   HD21  LEU  66          HD21      LEU  66  -0.348   6.396   3.073
   10   HD22  LEU  66          HD22      LEU  66  -0.793   5.050   2.026
   11   HD23  LEU  66          HD23      LEU  66   0.230   6.348   1.410

  No H/Q in entry =          11
  In of MODEL   28
    1    H    TYR  67           H        TYR  67  -1.879   3.280   2.492
    2    HA   TYR  67           HA       TYR  67  -1.143   3.230   5.343
    3    HB2  TYR  67           HB2      TYR  67  -1.712   1.030   3.438
    4    HB3  TYR  67           HB3      TYR  67  -0.390   0.793   4.570
    5    HD1  TYR  67           HD1      TYR  67  -4.021   1.015   4.197
    6    HD2  TYR  67           HD2      TYR  67  -0.818   0.649   6.975
    7    HE1  TYR  67           HE1      TYR  67  -5.580   0.197   5.891
    8    HE2  TYR  67           HE2      TYR  67  -2.392  -0.151   8.690
    9    HH   TYR  67           HH       TYR  67  -4.705  -0.129   9.213

  No H/Q in entry =           9
  In of MODEL   28
    1    H    TYR  68           H        TYR  68   0.841   3.916   5.713
    2    HA   TYR  68           HA       TYR  68   2.864   3.461   3.632
    3    HB2  TYR  68           HB2      TYR  68   3.642   5.787   3.753
    4    HB3  TYR  68           HB3      TYR  68   1.966   5.709   3.203
    5    HD1  TYR  68           HD1      TYR  68   4.224   6.781   5.870
    6    HD2  TYR  68           HD2      TYR  68   0.163   6.557   4.621
    7    HE1  TYR  68           HE1      TYR  68   3.614   8.432   7.583
    8    HE2  TYR  68           HE2      TYR  68  -0.463   8.206   6.334
    9    HH   TYR  68           HH       TYR  68   1.879  10.030   8.060

  No H/Q in entry =           9
  In of MODEL   28
    1    H    THR  69           H        THR  69   5.063   3.971   4.318
    2    HA   THR  69           HA       THR  69   5.587   4.100   7.167
    3    HB   THR  69           HB       THR  69   5.177   1.663   6.802
    4    HG1  THR  69           HG1      THR  69   7.945   2.091   7.295
    5   HG21  THR  69          HG21      THR  69   7.558   1.888   4.955
    6   HG22  THR  69          HG22      THR  69   6.885   0.369   5.547
    7   HG23  THR  69          HG23      THR  69   5.917   1.420   4.512

  No H/Q in entry =           7
  In of MODEL   28
    1    H    GLU  70           H        GLU  70   7.763   4.532   7.626
    2    HA   GLU  70           HA       GLU  70   9.273   5.696   5.435
    3    HB2  GLU  70           HB2      GLU  70   9.036   6.893   7.601
    4    HB3  GLU  70           HB3      GLU  70   9.868   5.574   8.408
    5    HG2  GLU  70           HG2      GLU  70  11.206   7.073   6.195
    6    HG3  GLU  70           HG3      GLU  70  11.156   7.732   7.829

  No H/Q in entry =           6
  In of MODEL   28
    1    H    PHE  71           H        PHE  71  11.016   4.800   4.496
    2    HA   PHE  71           HA       PHE  71  12.212   2.417   5.638
    3    HB2  PHE  71           HB2      PHE  71  11.789   1.003   3.710
    4    HB3  PHE  71           HB3      PHE  71  10.259   1.572   4.359
    5    HD1  PHE  71           HD1      PHE  71  10.409   4.359   3.095
    6    HD2  PHE  71           HD2      PHE  71  11.042   0.454   1.550
    7    HE1  PHE  71           HE1      PHE  71   9.755   5.141   0.846
    8    HE2  PHE  71           HE2      PHE  71  10.395   1.225  -0.699
    9    HZ   PHE  71           HZ       PHE  71   9.764   3.577  -1.060

  No H/Q in entry =           9
  In of MODEL   28
    1    H    THR  72           H        THR  72  14.211   1.809   4.582
    2    HA   THR  72           HA       THR  72  15.285   3.907   2.814
    3    HB   THR  72           HB       THR  72  16.920   2.035   4.527
    4    HG1  THR  72           HG1      THR  72  15.398   3.581   5.638
    5   HG21  THR  72          HG21      THR  72  17.571   4.661   3.159
    6   HG22  THR  72          HG22      THR  72  18.668   3.748   4.197
    7   HG23  THR  72          HG23      THR  72  18.131   3.061   2.665

  No H/Q in entry =           7
  In of MODEL   28
    1    HA   PRO  73           HA       PRO  73  14.782   0.224   0.003
    2    HB2  PRO  73           HB2      PRO  73  15.439   1.960  -2.141
    3    HB3  PRO  73           HB3      PRO  73  13.816   1.423  -1.675
    4    HG2  PRO  73           HG2      PRO  73  15.242   3.960  -1.048
    5    HG3  PRO  73           HG3      PRO  73  13.506   3.682  -1.302
    6    HD2  PRO  73           HD2      PRO  73  14.508   4.083   1.150
    7    HD3  PRO  73           HD3      PRO  73  13.190   2.922   0.872

  No H/Q in entry =           7
  In of MODEL   28
    1    H    THR  74           H        THR  74  16.269  -1.003  -0.928
    2    HA   THR  74           HA       THR  74  18.926   0.057  -1.499
    3    HB   THR  74           HB       THR  74  20.081  -1.781  -0.475
    4    HG1  THR  74           HG1      THR  74  17.453  -2.785  -0.065
    5   HG21  THR  74          HG21      THR  74  18.044  -0.705   1.473
    6   HG22  THR  74          HG22      THR  74  19.564  -1.484   1.906
    7   HG23  THR  74          HG23      THR  74  19.578   0.059   1.048

  No H/Q in entry =           7
  In of MODEL   28
    1    H    GLU  75           H        GLU  75  20.150  -1.676  -2.836
    2    HA   GLU  75           HA       GLU  75  18.579  -2.510  -5.015
    3    HB2  GLU  75           HB2      GLU  75  21.080  -1.962  -4.862
    4    HB3  GLU  75           HB3      GLU  75  21.290  -3.590  -4.255
    5    HG2  GLU  75           HG2      GLU  75  19.973  -3.062  -6.886
    6    HG3  GLU  75           HG3      GLU  75  21.719  -3.135  -6.703

  No H/Q in entry =           6
  In of MODEL   28
    1    H    LYS  76           H        LYS  76  19.760  -4.151  -2.177
    2    HA   LYS  76           HA       LYS  76  19.188  -6.749  -3.192
    3    HB2  LYS  76           HB2      LYS  76  20.331  -5.762  -0.590
    4    HB3  LYS  76           HB3      LYS  76  20.018  -7.464  -0.905
    5    HG2  LYS  76           HG2      LYS  76  21.932  -5.653  -2.364
    6    HG3  LYS  76           HG3      LYS  76  22.306  -7.109  -1.423
    7    HD2  LYS  76           HD2      LYS  76  21.019  -8.443  -3.032
    8    HD3  LYS  76           HD3      LYS  76  20.712  -6.973  -3.961
    9    HE2  LYS  76           HE2      LYS  76  23.161  -6.714  -4.269
   10    HE3  LYS  76           HE3      LYS  76  23.400  -8.247  -3.430
   11    HZ1  LYS  76           HZ1      LYS  76  22.114  -9.352  -5.163
   12    HZ2  LYS  76           HZ2      LYS  76  21.892  -7.875  -5.964
   13    HZ3  LYS  76           HZ3      LYS  76  23.445  -8.536  -5.826

  No H/Q in entry =          13
  In of MODEL   28
    1    H    ASP  77           H        ASP  77  17.553  -4.478  -1.090
    2    HA   ASP  77           HA       ASP  77  15.885  -6.660  -0.061
    3    HB2  ASP  77           HB2      ASP  77  15.225  -5.253   1.715
    4    HB3  ASP  77           HB3      ASP  77  16.925  -4.895   1.492

  No H/Q in entry =           4
  In of MODEL   28
    1    H    GLU  78           H        GLU  78  13.451  -5.870   0.307
    2    HA   GLU  78           HA       GLU  78  12.424  -4.414  -1.950
    3    HB2  GLU  78           HB2      GLU  78  12.872  -6.498  -3.090
    4    HB3  GLU  78           HB3      GLU  78  12.212  -7.431  -1.762
    5    HG2  GLU  78           HG2      GLU  78  10.274  -5.624  -3.087
    6    HG3  GLU  78           HG3      GLU  78  10.913  -6.932  -4.079

  No H/Q in entry =           6
  In of MODEL   28
    1    H    TYR  79           H        TYR  79  10.238  -3.908  -1.672
    2    HA   TYR  79           HA       TYR  79   9.009  -4.772   0.827
    3    HB2  TYR  79           HB2      TYR  79   8.681  -2.023  -0.404
    4    HB3  TYR  79           HB3      TYR  79   8.114  -2.567   1.171
    5    HD1  TYR  79           HD1      TYR  79   9.348  -2.048   3.041
    6    HD2  TYR  79           HD2      TYR  79  11.312  -2.125  -0.733
    7    HE1  TYR  79           HE1      TYR  79  11.392  -1.185   4.087
    8    HE2  TYR  79           HE2      TYR  79  13.366  -1.277   0.315
    9    HH   TYR  79           HH       TYR  79  14.229  -0.349   2.169

  No H/Q in entry =           9
  In of MODEL   28
    1    H    ALA  80           H        ALA  80   6.697  -4.870   0.813
    2    HA   ALA  80           HA       ALA  80   5.508  -4.906  -1.874
    3    HB1  ALA  80           HB1      ALA  80   6.341  -7.208  -1.131
    4    HB2  ALA  80           HB2      ALA  80   4.681  -7.080  -1.715
    5    HB3  ALA  80           HB3      ALA  80   5.004  -7.173   0.013

  No H/Q in entry =           5
  In of MODEL   28
    1    H    CYS  81           H        CYS  81   3.119  -5.059  -1.829
    2    HA   CYS  81           HA       CYS  81   2.007  -3.925   0.654
    3    HB2  CYS  81           HB2      CYS  81   1.585  -3.283  -2.219
    4    HB3  CYS  81           HB3      CYS  81   0.169  -3.237  -1.177

  No H/Q in entry =           4
  In of MODEL   28
    1    H    ARG  82           H        ARG  82   0.396  -5.071   1.607
    2    HA   ARG  82           HA       ARG  82  -0.844  -7.294   0.088
    3    HB2  ARG  82           HB2      ARG  82   0.671  -7.838   2.124
    4    HB3  ARG  82           HB3      ARG  82  -0.634  -7.153   3.086
    5    HG2  ARG  82           HG2      ARG  82  -2.126  -8.835   1.815
    6    HG3  ARG  82           HG3      ARG  82  -0.604  -9.656   1.464
    7    HD2  ARG  82           HD2      ARG  82  -1.803  -9.043   4.152
    8    HD3  ARG  82           HD3      ARG  82  -1.502 -10.630   3.447
    9    HE   ARG  82           HE       ARG  82   0.642  -8.769   4.284
   10   HH11  ARG  82          HH11      ARG  82  -0.675 -12.016   3.978
   11   HH12  ARG  82          HH12      ARG  82   0.599 -12.752   4.909
   12   HH21  ARG  82          HH21      ARG  82   2.309  -9.755   5.496
   13   HH22  ARG  82          HH22      ARG  82   2.293 -11.472   5.755

  No H/Q in entry =          13
  In of MODEL   28
    1    H    VAL  83           H        VAL  83  -3.099  -7.353   0.092
    2    HA   VAL  83           HA       VAL  83  -4.433  -5.678   2.108
    3    HB   VAL  83           HB       VAL  83  -5.939  -4.662   0.693
    4   HG11  VAL  83          HG11      VAL  83  -3.360  -4.805  -0.805
    5   HG12  VAL  83          HG12      VAL  83  -4.636  -3.622  -1.095
    6   HG13  VAL  83          HG13      VAL  83  -3.806  -3.665   0.462
    7   HG21  VAL  83          HG21      VAL  83  -6.650  -6.610  -0.571
    8   HG22  VAL  83          HG22      VAL  83  -6.327  -5.245  -1.641
    9   HG23  VAL  83          HG23      VAL  83  -5.156  -6.557  -1.509

  No H/Q in entry =           9
  In of MODEL   28
    1    H    ASN  84           H        ASN  84  -6.263  -6.406   2.918
    2    HA   ASN  84           HA       ASN  84  -7.167  -9.068   2.083
    3    HB2  ASN  84           HB2      ASN  84  -7.234  -7.866   4.874
    4    HB3  ASN  84           HB3      ASN  84  -7.735  -9.485   4.444
    5   HD21  ASN  84          HD21      ASN  84  -4.980  -7.344   4.670
    6   HD22  ASN  84          HD22      ASN  84  -3.791  -8.587   4.842

  No H/Q in entry =           6
  In of MODEL   28
    1    H    HIS  85           H        HIS  85  -9.197  -9.080   1.255
    2    HA   HIS  85           HA       HIS  85 -11.248  -7.642   2.723
    3    HB2  HIS  85           HB2      HIS  85 -10.330  -6.268   0.667
    4    HB3  HIS  85           HB3      HIS  85 -11.324  -7.391  -0.258
    5    HD2  HIS  85           HD2      HIS  85 -11.845  -4.795   2.668
    6    HE1  HIS  85           HE1      HIS  85 -15.424  -5.249   0.447
    7    HE2  HIS  85           HE2      HIS  85 -14.217  -3.852   2.181

  No H/Q in entry =           7
  In of MODEL   28
    1    H    VAL  86           H        VAL  86 -13.479  -8.362   1.877
    2    HA   VAL  86           HA       VAL  86 -13.456 -11.191   1.953
    3    HB   VAL  86           HB       VAL  86 -15.882 -11.085   1.694
    4   HG11  VAL  86          HG11      VAL  86 -14.751  -8.993   3.540
    5   HG12  VAL  86          HG12      VAL  86 -16.384  -9.652   3.644
    6   HG13  VAL  86          HG13      VAL  86 -14.991 -10.706   3.894
    7   HG21  VAL  86          HG21      VAL  86 -15.959  -9.276   0.011
    8   HG22  VAL  86          HG22      VAL  86 -17.062  -9.001   1.361
    9   HG23  VAL  86          HG23      VAL  86 -15.540  -8.117   1.273

  No H/Q in entry =           9
  In of MODEL   28
    1    H    THR  87           H        THR  87 -13.407  -8.912  -0.668
    2    HA   THR  87           HA       THR  87 -14.684 -10.571  -2.588
    3    HB   THR  87           HB       THR  87 -13.998  -8.930  -4.222
    4    HG1  THR  87           HG1      THR  87 -11.877  -8.523  -3.670
    5   HG21  THR  87          HG21      THR  87 -15.796  -8.288  -2.628
    6   HG22  THR  87          HG22      THR  87 -14.580  -7.474  -1.645
    7   HG23  THR  87          HG23      THR  87 -14.910  -6.908  -3.281

  No H/Q in entry =           7
  In of MODEL   28
    1    H    LEU  88           H        LEU  88 -11.334  -9.884  -1.764
    2    HA   LEU  88           HA       LEU  88 -10.264 -11.340  -3.975
    3    HB2  LEU  88           HB2      LEU  88  -8.960 -10.362  -1.426
    4    HB3  LEU  88           HB3      LEU  88  -8.090 -11.091  -2.760
    5    HG   LEU  88           HG       LEU  88  -9.561  -8.458  -2.766
    6   HD11  LEU  88          HD11      LEU  88  -7.336  -8.433  -1.732
    7   HD12  LEU  88          HD12      LEU  88  -6.645  -9.132  -3.208
    8   HD13  LEU  88          HD13      LEU  88  -7.370  -7.517  -3.246
    9   HD21  LEU  88          HD21      LEU  88  -8.244  -9.905  -5.061
   10   HD22  LEU  88          HD22      LEU  88  -9.968  -9.569  -4.882
   11   HD23  LEU  88          HD23      LEU  88  -8.828  -8.241  -5.102

  No H/Q in entry =          11
  In of MODEL   28
    1    H    SER  89           H        SER  89 -10.404 -13.476  -4.110
    2    HA   SER  89           HA       SER  89 -11.144 -15.190  -2.027
    3    HB2  SER  89           HB2      SER  89 -10.537 -16.999  -3.632
    4    HB3  SER  89           HB3      SER  89 -11.534 -15.744  -4.358
    5    HG   SER  89           HG       SER  89  -9.091 -16.574  -5.085

  No H/Q in entry =           5
  In of MODEL   28
    1    H    GLN  90           H        GLN  90  -8.086 -13.935  -2.971
    2    HA   GLN  90           HA       GLN  90  -6.875 -15.148  -0.613
    3    HB2  GLN  90           HB2      GLN  90  -5.265 -14.678  -3.120
    4    HB3  GLN  90           HB3      GLN  90  -4.852 -15.672  -1.734
    5    HG2  GLN  90           HG2      GLN  90  -6.166 -17.452  -2.466
    6    HG3  GLN  90           HG3      GLN  90  -7.109 -16.423  -3.556
    7   HE21  GLN  90          HE21      GLN  90  -6.710 -17.718  -5.330
    8   HE22  GLN  90          HE22      GLN  90  -5.156 -17.779  -6.096

  No H/Q in entry =           8
  In of MODEL   28
    1    HA   PRO  91           HA       PRO  91  -6.083 -10.632  -0.006
    2    HB2  PRO  91           HB2      PRO  91  -3.717 -11.995   1.275
    3    HB3  PRO  91           HB3      PRO  91  -4.576 -10.528   1.793
    4    HG2  PRO  91           HG2      PRO  91  -5.153 -12.774   2.993
    5    HG3  PRO  91           HG3      PRO  91  -6.487 -11.730   2.424
    6    HD2  PRO  91           HD2      PRO  91  -5.408 -14.285   1.241
    7    HD3  PRO  91           HD3      PRO  91  -7.106 -13.726   1.331

  No H/Q in entry =           7
  In of MODEL   28
    1    H    LYS  92           H        LYS  92  -4.535  -9.172  -0.867
    2    HA   LYS  92           HA       LYS  92  -3.216 -10.437  -3.161
    3    HB2  LYS  92           HB2      LYS  92  -5.179  -8.974  -3.666
    4    HB3  LYS  92           HB3      LYS  92  -4.272  -7.620  -3.001
    5    HG2  LYS  92           HG2      LYS  92  -4.062  -7.633  -5.401
    6    HG3  LYS  92           HG3      LYS  92  -2.505  -8.025  -4.647
    7    HD2  LYS  92           HD2      LYS  92  -2.783  -9.553  -6.434
    8    HD3  LYS  92           HD3      LYS  92  -3.088 -10.433  -4.936
    9    HE2  LYS  92           HE2      LYS  92  -5.483 -10.241  -5.285
   10    HE3  LYS  92           HE3      LYS  92  -5.207  -9.321  -6.765
   11    HZ1  LYS  92           HZ1      LYS  92  -4.244 -12.096  -6.325
   12    HZ2  LYS  92           HZ2      LYS  92  -5.678 -11.706  -7.148
   13    HZ3  LYS  92           HZ3      LYS  92  -4.180 -11.212  -7.772

  No H/Q in entry =          13
  In of MODEL   28
    1    H    ILE  93           H        ILE  93  -1.095 -10.244  -3.299
    2    HA   ILE  93           HA       ILE  93   0.213  -8.053  -1.837
    3    HB   ILE  93           HB       ILE  93   1.361 -10.720  -2.660
    4   HG12  ILE  93          HG12      ILE  93   1.829 -10.844  -0.135
    5   HG13  ILE  93          HG13      ILE  93   0.672  -9.536   0.023
    6   HG21  ILE  93          HG21      ILE  93   3.006  -8.971  -2.974
    7   HG22  ILE  93          HG22      ILE  93   2.737  -8.408  -1.321
    8   HG23  ILE  93          HG23      ILE  93   3.440 -10.001  -1.606
    9   HD11  ILE  93          HD11      ILE  93   0.104 -12.239  -1.163
   10   HD12  ILE  93          HD12      ILE  93  -0.317 -11.716   0.467
   11   HD13  ILE  93          HD13      ILE  93  -1.060 -10.936  -0.927

  No H/Q in entry =          11
  In of MODEL   28
    1    H    VAL  94           H        VAL  94   1.168  -6.571  -3.004
    2    HA   VAL  94           HA       VAL  94   2.134  -7.265  -5.689
    3    HB   VAL  94           HB       VAL  94   0.830  -4.652  -4.884
    4   HG11  VAL  94          HG11      VAL  94   2.100  -5.451  -7.502
    5   HG12  VAL  94          HG12      VAL  94   1.197  -3.964  -7.210
    6   HG13  VAL  94          HG13      VAL  94   2.719  -4.251  -6.367
    7   HG21  VAL  94          HG21      VAL  94  -0.756  -6.468  -5.333
    8   HG22  VAL  94          HG22      VAL  94  -0.839  -5.212  -6.569
    9   HG23  VAL  94          HG23      VAL  94  -0.007  -6.730  -6.908

  No H/Q in entry =           9
  In of MODEL   28
    1    H    LYS  95           H        LYS  95   4.189  -6.847  -5.979
    2    HA   LYS  95           HA       LYS  95   5.688  -5.885  -3.699
    3    HB2  LYS  95           HB2      LYS  95   7.456  -7.017  -4.553
    4    HB3  LYS  95           HB3      LYS  95   6.234  -7.795  -5.547
    5    HG2  LYS  95           HG2      LYS  95   6.724  -6.347  -7.388
    6    HG3  LYS  95           HG3      LYS  95   7.807  -5.377  -6.389
    7    HD2  LYS  95           HD2      LYS  95   8.972  -7.733  -6.037
    8    HD3  LYS  95           HD3      LYS  95   8.217  -8.058  -7.597
    9    HE2  LYS  95           HE2      LYS  95  10.092  -5.786  -6.942
   10    HE3  LYS  95           HE3      LYS  95  10.468  -7.212  -7.912
   11    HZ1  LYS  95           HZ1      LYS  95   8.442  -5.153  -8.608
   12    HZ2  LYS  95           HZ2      LYS  95   9.975  -5.293  -9.314
   13    HZ3  LYS  95           HZ3      LYS  95   8.817  -6.514  -9.536

  No H/Q in entry =          13
  In of MODEL   28
    1    H    TRP  96           H        TRP  96   6.986  -4.034  -3.652
    2    HA   TRP  96           HA       TRP  96   6.004  -1.879  -5.287
    3    HB2  TRP  96           HB2      TRP  96   6.477  -1.465  -2.919
    4    HB3  TRP  96           HB3      TRP  96   8.159  -1.957  -3.136
    5    HD1  TRP  96           HD1      TRP  96   5.760   0.825  -4.368
    6    HE1  TRP  96           HE1      TRP  96   7.147   2.939  -4.784
    7    HE3  TRP  96           HE3      TRP  96  10.405  -1.061  -3.390
    8    HZ2  TRP  96           HZ2      TRP  96   9.866   3.721  -4.699
    9    HZ3  TRP  96           HZ3      TRP  96  12.352   0.425  -3.580
   10    HH2  TRP  96           HH2      TRP  96  12.084   2.785  -4.225

  No H/Q in entry =          10
  In of MODEL   28
    1    H    ASP  97           H        ASP  97   6.917  -1.087  -7.050
    2    HA   ASP  97           HA       ASP  97   9.720  -1.737  -7.602
    3    HB2  ASP  97           HB2      ASP  97   9.268  -2.203  -9.907
    4    HB3  ASP  97           HB3      ASP  97   8.158  -3.185  -8.959

  No H/Q in entry =           4
  In of MODEL   28
    1    H    ARG  98           H        ARG  98  10.853  -0.213  -8.719
    2    HA   ARG  98           HA       ARG  98   9.623   2.447  -8.822
    3    HB2  ARG  98           HB2      ARG  98  11.813   3.349  -8.602
    4    HB3  ARG  98           HB3      ARG  98  11.714   2.036  -7.453
    5    HG2  ARG  98           HG2      ARG  98  13.604   1.263  -8.285
    6    HG3  ARG  98           HG3      ARG  98  12.723   0.870  -9.764
    7    HD2  ARG  98           HD2      ARG  98  14.698   2.196 -10.279
    8    HD3  ARG  98           HD3      ARG  98  13.229   3.107 -10.641
    9    HE   ARG  98           HE       ARG  98  14.314   3.599  -8.008
   10   HH11  ARG  98          HH11      ARG  98  14.368   4.555 -11.386
   11   HH12  ARG  98          HH12      ARG  98  15.000   6.135 -11.057
   12   HH21  ARG  98          HH21      ARG  98  15.125   5.697  -7.581
   13   HH22  ARG  98          HH22      ARG  98  15.434   6.783  -8.905

  No H/Q in entry =          13
  In of MODEL   28
    1    H    ASP  99           H        ASP  99  11.020  -0.096 -10.607
    2    HA   ASP  99           HA       ASP  99   9.931   0.658 -13.067
    3    HB2  ASP  99           HB2      ASP  99  11.776   2.349 -13.021
    4    HB3  ASP  99           HB3      ASP  99  12.936   1.028 -12.912

  No H/Q in entry =           4
  In of MODEL   28
    1    H    MET 100           H        MET 100  11.511  -1.322 -10.958
    2    HA   MET 100           HA       MET 100  12.337  -3.313 -12.930
    3    HB2  MET 100           HB2      MET 100  12.872  -3.453  -9.967
    4    HB3  MET 100           HB3      MET 100  13.782  -4.183 -11.287
    5    HG2  MET 100           HG2      MET 100  13.627  -1.244 -10.656
    6    HG3  MET 100           HG3      MET 100  14.987  -2.315 -10.289
    7    HE1  MET 100           HE1      MET 100  15.158   0.459 -11.879
    8    HE2  MET 100           HE2      MET 100  16.592  -0.517 -11.564
    9    HE3  MET 100           HE3      MET 100  16.258   0.056 -13.198

  No H/Q in entry =           9
  In of MODEL   29
    1    HA   ILE   2           HA       ILE   2 -21.551  -2.020  -3.595
    2    HB   ILE   2           HB       ILE   2 -21.830  -2.992  -1.150
    3   HG12  ILE   2          HG12      ILE   2 -24.027  -4.446  -1.314
    4   HG13  ILE   2          HG13      ILE   2 -23.367  -4.920  -2.872
    5   HG21  ILE   2          HG21      ILE   2 -23.023  -1.105  -2.062
    6   HG22  ILE   2          HG22      ILE   2 -24.115  -2.183  -2.931
    7   HG23  ILE   2          HG23      ILE   2 -24.129  -2.148  -1.167
    8   HD11  ILE   2          HD11      ILE   2 -21.347  -5.724  -1.758
    9   HD12  ILE   2          HD12      ILE   2 -22.031  -5.262  -0.199
   10   HD13  ILE   2          HD13      ILE   2 -22.799  -6.526  -1.159

  No H/Q in entry =          10
  In of MODEL   29
    1    H    GLN   3           H        GLN   3 -20.527  -5.386  -2.887
    2    HA   GLN   3           HA       GLN   3 -18.016  -4.448  -1.843
    3    HB2  GLN   3           HB2      GLN   3 -19.489  -6.850  -1.718
    4    HB3  GLN   3           HB3      GLN   3 -17.966  -7.220  -2.521
    5    HG2  GLN   3           HG2      GLN   3 -17.512  -7.585  -0.259
    6    HG3  GLN   3           HG3      GLN   3 -16.845  -5.989  -0.591
    7   HE21  GLN   3          HE21      GLN   3 -17.702  -7.170   1.924
    8   HE22  GLN   3          HE22      GLN   3 -18.896  -6.107   2.575

  No H/Q in entry =           8
  In of MODEL   29
    1    H    ARG   4           H        ARG   4 -18.430  -3.642  -4.564
    2    HA   ARG   4           HA       ARG   4 -16.794  -4.675  -6.370
    3    HB2  ARG   4           HB2      ARG   4 -17.734  -2.498  -6.698
    4    HB3  ARG   4           HB3      ARG   4 -16.882  -1.853  -5.301
    5    HG2  ARG   4           HG2      ARG   4 -14.798  -1.811  -6.440
    6    HG3  ARG   4           HG3      ARG   4 -15.430  -2.781  -7.792
    7    HD2  ARG   4           HD2      ARG   4 -15.198  -0.310  -8.246
    8    HD3  ARG   4           HD3      ARG   4 -16.819  -0.952  -8.522
    9    HE   ARG   4           HE       ARG   4 -17.044  -0.077  -6.014
   10   HH11  ARG   4          HH11      ARG   4 -15.587   1.460  -8.790
   11   HH12  ARG   4          HH12      ARG   4 -15.922   3.069  -8.242
   12   HH21  ARG   4          HH21      ARG   4 -17.492   2.016  -5.271
   13   HH22  ARG   4          HH22      ARG   4 -17.008   3.397  -6.219

  No H/Q in entry =          13
  In of MODEL   29
    1    H    THR   5           H        THR   5 -14.618  -4.784  -6.856
    2    HA   THR   5           HA       THR   5 -13.101  -5.719  -4.637
    3    HB   THR   5           HB       THR   5 -11.478  -6.465  -6.307
    4    HG1  THR   5           HG1      THR   5 -13.124  -5.083  -8.199
    5   HG21  THR   5          HG21      THR   5 -14.369  -6.914  -7.037
    6   HG22  THR   5          HG22      THR   5 -13.035  -7.771  -7.811
    7   HG23  THR   5          HG23      THR   5 -13.315  -7.956  -6.085

  No H/Q in entry =           7
  In of MODEL   29
    1    HA   PRO   6           HA       PRO   6 -10.549  -2.031  -4.152
    2    HB2  PRO   6           HB2      PRO   6  -8.947  -3.582  -2.290
    3    HB3  PRO   6           HB3      PRO   6  -9.988  -2.198  -1.958
    4    HG2  PRO   6           HG2      PRO   6 -10.541  -4.757  -1.125
    5    HG3  PRO   6           HG3      PRO   6 -11.779  -3.505  -1.404
    6    HD2  PRO   6           HD2      PRO   6 -10.961  -5.806  -3.150
    7    HD3  PRO   6           HD3      PRO   6 -12.568  -5.090  -2.882

  No H/Q in entry =           7
  In of MODEL   29
    1    H    LYS   7           H        LYS   7  -8.924  -1.512  -5.433
    2    HA   LYS   7           HA       LYS   7  -7.255  -3.679  -6.489
    3    HB2  LYS   7           HB2      LYS   7  -8.439  -2.427  -8.189
    4    HB3  LYS   7           HB3      LYS   7  -7.875  -0.901  -7.528
    5    HG2  LYS   7           HG2      LYS   7  -5.624  -1.369  -8.230
    6    HG3  LYS   7           HG3      LYS   7  -6.089  -2.989  -8.757
    7    HD2  LYS   7           HD2      LYS   7  -7.482  -2.086 -10.491
    8    HD3  LYS   7           HD3      LYS   7  -7.242  -0.445  -9.890
    9    HE2  LYS   7           HE2      LYS   7  -5.881  -0.946 -11.886
   10    HE3  LYS   7           HE3      LYS   7  -4.910  -0.517 -10.481
   11    HZ1  LYS   7           HZ1      LYS   7  -5.429  -3.301 -11.387
   12    HZ2  LYS   7           HZ2      LYS   7  -4.024  -2.419 -11.735
   13    HZ3  LYS   7           HZ3      LYS   7  -4.393  -2.824 -10.131

  No H/Q in entry =          13
  In of MODEL   29
    1    H    ILE   8           H        ILE   8  -4.981  -3.379  -6.692
    2    HA   ILE   8           HA       ILE   8  -3.958  -2.045  -4.313
    3    HB   ILE   8           HB       ILE   8  -2.299  -3.749  -6.142
    4   HG12  ILE   8          HG12      ILE   8  -4.281  -5.080  -5.749
    5   HG13  ILE   8          HG13      ILE   8  -2.967  -5.714  -4.770
    6   HG21  ILE   8          HG21      ILE   8  -1.177  -2.533  -4.353
    7   HG22  ILE   8          HG22      ILE   8  -2.257  -3.265  -3.165
    8   HG23  ILE   8          HG23      ILE   8  -1.121  -4.273  -4.062
    9   HD11  ILE   8          HD11      ILE   8  -5.168  -3.920  -3.790
   10   HD12  ILE   8          HD12      ILE   8  -5.071  -5.669  -3.558
   11   HD13  ILE   8          HD13      ILE   8  -3.870  -4.611  -2.814

  No H/Q in entry =          11
  In of MODEL   29
    1    H    GLN   9           H        GLN   9  -3.159  -0.077  -4.490
    2    HA   GLN   9           HA       GLN   9  -1.465   0.513  -6.819
    3    HB2  GLN   9           HB2      GLN   9  -3.282   2.367  -5.269
    4    HB3  GLN   9           HB3      GLN   9  -2.101   2.918  -6.467
    5    HG2  GLN   9           HG2      GLN   9  -3.272   1.798  -8.220
    6    HG3  GLN   9           HG3      GLN   9  -4.341   0.996  -7.070
    7   HE21  GLN   9          HE21      GLN   9  -4.648   3.367  -5.421
    8   HE22  GLN   9          HE22      GLN   9  -5.692   4.440  -6.299

  No H/Q in entry =           8
  In of MODEL   29
    1    H    VAL  10           H        VAL  10   0.586   0.657  -6.221
    2    HA   VAL  10           HA       VAL  10   1.264   1.845  -3.640
    3    HB   VAL  10           HB       VAL  10   1.394  -0.407  -2.975
    4   HG11  VAL  10          HG11      VAL  10   1.054  -1.386  -5.202
    5   HG12  VAL  10          HG12      VAL  10   2.760  -1.115  -5.565
    6   HG13  VAL  10          HG13      VAL  10   2.294  -2.223  -4.268
    7   HG21  VAL  10          HG21      VAL  10   4.132   0.409  -3.940
    8   HG22  VAL  10          HG22      VAL  10   3.434   0.659  -2.340
    9   HG23  VAL  10          HG23      VAL  10   3.837  -0.972  -2.882

  No H/Q in entry =           9
  In of MODEL   29
    1    H    TYR  11           H        TYR  11   2.898   3.218  -3.761
    2    HA   TYR  11           HA       TYR  11   4.968   2.982  -5.739
    3    HB2  TYR  11           HB2      TYR  11   4.523   5.156  -6.825
    4    HB3  TYR  11           HB3      TYR  11   3.231   4.003  -7.121
    5    HD1  TYR  11           HD1      TYR  11   4.166   7.094  -5.380
    6    HD2  TYR  11           HD2      TYR  11   1.002   4.389  -6.255
    7    HE1  TYR  11           HE1      TYR  11   2.537   8.758  -4.599
    8    HE2  TYR  11           HE2      TYR  11  -0.638   6.048  -5.475
    9    HH   TYR  11           HH       TYR  11  -0.613   8.030  -3.861

  No H/Q in entry =           9
  In of MODEL   29
    1    H    SER  12           H        SER  12   6.498   4.867  -5.555
    2    HA   SER  12           HA       SER  12   6.905   5.474  -2.754
    3    HB2  SER  12           HB2      SER  12   8.792   4.794  -4.186
    4    HB3  SER  12           HB3      SER  12   8.506   6.185  -5.222
    5    HG   SER  12           HG       SER  12   9.484   7.433  -3.843

  No H/Q in entry =           5
  In of MODEL   29
    1    H    ARG  13           H        ARG  13   6.549   7.386  -1.783
    2    HA   ARG  13           HA       ARG  13   4.745   9.190  -3.051
    3    HB2  ARG  13           HB2      ARG  13   5.040   8.563  -0.540
    4    HB3  ARG  13           HB3      ARG  13   6.299   9.773  -0.520
    5    HG2  ARG  13           HG2      ARG  13   3.390  10.281  -1.126
    6    HG3  ARG  13           HG3      ARG  13   4.195  10.602   0.395
    7    HD2  ARG  13           HD2      ARG  13   4.335  12.679  -0.484
    8    HD3  ARG  13           HD3      ARG  13   5.758  12.004  -1.257
    9    HE   ARG  13           HE       ARG  13   4.067  11.479  -3.140
   10   HH11  ARG  13          HH11      ARG  13   4.069  14.331  -1.106
   11   HH12  ARG  13          HH12      ARG  13   3.392  15.360  -2.337
   12   HH21  ARG  13          HH21      ARG  13   3.213  12.818  -4.759
   13   HH22  ARG  13          HH22      ARG  13   2.935  14.506  -4.426

  No H/Q in entry =          13
  In of MODEL   29
    1    H    HIS  14           H        HIS  14   8.114   9.546  -2.028
    2    HA   HIS  14           HA       HIS  14   8.371  11.807  -3.879
    3    HB2  HIS  14           HB2      HIS  14   9.929  11.072  -1.392
    4    HB3  HIS  14           HB3      HIS  14  10.504  12.296  -2.518
    5    HD2  HIS  14           HD2      HIS  14   7.088  13.291  -2.687
    6    HE1  HIS  14           HE1      HIS  14   8.232  14.707   1.134
    7    HE2  HIS  14           HE2      HIS  14   6.401  14.690  -0.613

  No H/Q in entry =           7
  In of MODEL   29
    1    HA   PRO  15           HA       PRO  15  11.312   9.607  -6.448
    2    HB2  PRO  15           HB2      PRO  15  13.837  10.689  -5.952
    3    HB3  PRO  15           HB3      PRO  15  12.666  11.290  -7.143
    4    HG2  PRO  15           HG2      PRO  15  13.261  12.318  -4.373
    5    HG3  PRO  15           HG3      PRO  15  12.805  13.221  -5.856
    6    HD2  PRO  15           HD2      PRO  15  11.042  12.741  -3.853
    7    HD3  PRO  15           HD3      PRO  15  10.539  12.786  -5.569

  No H/Q in entry =           7
  In of MODEL   29
    1    H    ALA  16           H        ALA  16  11.705   7.561  -5.963
    2    HA   ALA  16           HA       ALA  16  12.693   6.614  -3.495
    3    HB1  ALA  16           HB1      ALA  16  11.267   5.291  -5.006
    4    HB2  ALA  16           HB2      ALA  16  12.601   5.202  -6.152
    5    HB3  ALA  16           HB3      ALA  16  12.751   4.441  -4.570

  No H/Q in entry =           5
  In of MODEL   29
    1    H    GLU  17           H        GLU  17  14.728   6.973  -2.825
    2    HA   GLU  17           HA       GLU  17  16.875   6.728  -4.807
    3    HB2  GLU  17           HB2      GLU  17  16.299   8.892  -3.190
    4    HB3  GLU  17           HB3      GLU  17  17.475   8.041  -2.213
    5    HG2  GLU  17           HG2      GLU  17  18.684   8.163  -4.696
    6    HG3  GLU  17           HG3      GLU  17  17.834   9.698  -4.569

  No H/Q in entry =           6
  In of MODEL   29
    1    H    ASN  18           H        ASN  18  18.234   5.085  -4.567
    2    HA   ASN  18           HA       ASN  18  17.893   3.253  -2.370
    3    HB2  ASN  18           HB2      ASN  18  18.280   2.062  -4.284
    4    HB3  ASN  18           HB3      ASN  18  19.387   3.259  -4.957
    5   HD21  ASN  18          HD21      ASN  18  20.952   1.820  -5.525
    6   HD22  ASN  18          HD22      ASN  18  21.899   0.921  -4.379

  No H/Q in entry =           6
  In of MODEL   29
    1    H    GLY  19           H        GLY  19  18.960   3.185  -0.563
    2    HA2  GLY  19           HA2      GLY  19  21.605   4.383  -0.276
    3    HA3  GLY  19           HA3      GLY  19  20.700   3.511   0.972

  No H/Q in entry =           3
  In of MODEL   29
    1    H    LYS  20           H        LYS  20  18.296   5.166   0.257
    2    HA   LYS  20           HA       LYS  20  19.030   7.612   1.716
    3    HB2  LYS  20           HB2      LYS  20  18.600   7.577  -0.988
    4    HB3  LYS  20           HB3      LYS  20  16.979   7.886  -0.377
    5    HG2  LYS  20           HG2      LYS  20  17.947   9.980  -0.824
    6    HG3  LYS  20           HG3      LYS  20  17.946   9.794   0.937
    7    HD2  LYS  20           HD2      LYS  20  20.326   8.971   0.696
    8    HD3  LYS  20           HD3      LYS  20  20.273   9.501  -0.965
    9    HE2  LYS  20           HE2      LYS  20  19.879  11.260   1.453
   10    HE3  LYS  20           HE3      LYS  20  21.309  11.203   0.421
   11    HZ1  LYS  20           HZ1      LYS  20  19.646  11.740  -1.449
   12    HZ2  LYS  20           HZ2      LYS  20  18.626  12.255  -0.193
   13    HZ3  LYS  20           HZ3      LYS  20  20.139  12.990  -0.407

  No H/Q in entry =          13
  In of MODEL   29
    1    H    SER  21           H        SER  21  17.380   8.511   2.921
    2    HA   SER  21           HA       SER  21  15.290   6.722   3.744
    3    HB2  SER  21           HB2      SER  21  15.910   9.582   4.488
    4    HB3  SER  21           HB3      SER  21  14.712   8.570   5.289
    5    HG   SER  21           HG       SER  21  16.247   7.587   6.343

  No H/Q in entry =           5
  In of MODEL   29
    1    H    ASN  22           H        ASN  22  13.120   6.892   3.310
    2    HA   ASN  22           HA       ASN  22  12.115   8.999   1.578
    3    HB2  ASN  22           HB2      ASN  22  13.452   7.301   0.133
    4    HB3  ASN  22           HB3      ASN  22  12.192   6.152   0.543
    5   HD21  ASN  22          HD21      ASN  22  10.338   6.163  -0.525
    6   HD22  ASN  22          HD22      ASN  22   9.960   7.238  -1.823

  No H/Q in entry =           6
  In of MODEL   29
    1    H    PHE  23           H        PHE  23   9.747   8.195   0.766
    2    HA   PHE  23           HA       PHE  23   8.469   6.942   3.105
    3    HB2  PHE  23           HB2      PHE  23   7.631   9.354   1.490
    4    HB3  PHE  23           HB3      PHE  23   6.500   8.458   2.493
    5    HD1  PHE  23           HD1      PHE  23   9.767  10.256   2.694
    6    HD2  PHE  23           HD2      PHE  23   6.183   9.084   4.659
    7    HE1  PHE  23           HE1      PHE  23  10.373  11.659   4.624
    8    HE2  PHE  23           HE2      PHE  23   6.776  10.485   6.591
    9    HZ   PHE  23           HZ       PHE  23   8.879  11.762   6.581

  No H/Q in entry =           9
  In of MODEL   29
    1    H    LEU  24           H        LEU  24   7.247   5.228   2.597
    2    HA   LEU  24           HA       LEU  24   6.727   4.570  -0.195
    3    HB2  LEU  24           HB2      LEU  24   7.173   3.111   2.104
    4    HB3  LEU  24           HB3      LEU  24   5.454   2.902   1.847
    5    HG   LEU  24           HG       LEU  24   7.694   2.109  -0.047
    6   HD11  LEU  24          HD11      LEU  24   5.655   0.504   1.499
    7   HD12  LEU  24          HD12      LEU  24   6.799  -0.158   0.332
    8   HD13  LEU  24          HD13      LEU  24   7.387   0.586   1.819
    9   HD21  LEU  24          HD21      LEU  24   4.704   1.999  -0.456
   10   HD22  LEU  24          HD22      LEU  24   5.892   2.860  -1.439
   11   HD23  LEU  24          HD23      LEU  24   5.873   1.098  -1.420

  No H/Q in entry =          11
  In of MODEL   29
    1    H    ASN  25           H        ASN  25   4.535   4.043  -0.903
    2    HA   ASN  25           HA       ASN  25   2.387   5.150   0.730
    3    HB2  ASN  25           HB2      ASN  25   3.006   7.030  -0.639
    4    HB3  ASN  25           HB3      ASN  25   3.006   6.039  -2.097
    5   HD21  ASN  25          HD21      ASN  25   1.124   7.759   0.218
    6   HD22  ASN  25          HD22      ASN  25  -0.388   7.653  -0.624

  No H/Q in entry =           6
  In of MODEL   29
    1    H    CYS  26           H        CYS  26   0.687   3.862   0.732
    2    HA   CYS  26           HA       CYS  26   0.214   2.095  -1.568
    3    HB2  CYS  26           HB2      CYS  26   1.237   1.045   0.597
    4    HB3  CYS  26           HB3      CYS  26  -0.411   1.188   1.214

  No H/Q in entry =           4
  In of MODEL   29
    1    H    TYR  27           H        TYR  27  -1.726   2.394  -2.400
    2    HA   TYR  27           HA       TYR  27  -3.764   3.803  -0.791
    3    HB2  TYR  27           HB2      TYR  27  -2.572   4.459  -3.395
    4    HB3  TYR  27           HB3      TYR  27  -4.327   4.419  -3.429
    5    HD1  TYR  27           HD1      TYR  27  -5.542   5.877  -1.627
    6    HD2  TYR  27           HD2      TYR  27  -1.465   6.376  -2.725
    7    HE1  TYR  27           HE1      TYR  27  -5.614   8.201  -0.827
    8    HE2  TYR  27           HE2      TYR  27  -1.521   8.689  -1.902
    9    HH   TYR  27           HH       TYR  27  -3.223  10.464  -1.515

  No H/Q in entry =           9
  In of MODEL   29
    1    H    VAL  28           H        VAL  28  -5.113   2.124  -0.340
    2    HA   VAL  28           HA       VAL  28  -5.941   0.426  -2.591
    3    HB   VAL  28           HB       VAL  28  -6.679  -0.080   0.283
    4   HG11  VAL  28          HG11      VAL  28  -6.406  -1.797  -2.171
    5   HG12  VAL  28          HG12      VAL  28  -6.731  -2.422  -0.556
    6   HG13  VAL  28          HG13      VAL  28  -7.897  -1.355  -1.335
    7   HG21  VAL  28          HG21      VAL  28  -4.148  -0.930  -1.118
    8   HG22  VAL  28          HG22      VAL  28  -4.275   0.085   0.320
    9   HG23  VAL  28          HG23      VAL  28  -4.732  -1.620   0.400

  No H/Q in entry =           9
  In of MODEL   29
    1    H    SER  29           H        SER  29  -7.773   0.980  -3.566
    2    HA   SER  29           HA       SER  29  -9.983   2.090  -2.054
    3    HB2  SER  29           HB2      SER  29  -8.505   4.031  -2.685
    4    HB3  SER  29           HB3      SER  29  -8.794   3.631  -4.374
    5    HG   SER  29           HG       SER  29 -10.655   4.523  -2.430

  No H/Q in entry =           5
  In of MODEL   29
    1    H    GLY  30           H        GLY  30 -11.748   2.749  -3.854
    2    HA2  GLY  30           HA2      GLY  30 -11.686   0.834  -6.055
    3    HA3  GLY  30           HA3      GLY  30 -12.831   2.146  -5.863

  No H/Q in entry =           3
  In of MODEL   29
    1    H    PHE  31           H        PHE  31 -12.941   1.072  -2.895
    2    HA   PHE  31           HA       PHE  31 -14.658  -1.236  -3.521
    3    HB2  PHE  31           HB2      PHE  31 -13.827  -2.343  -1.522
    4    HB3  PHE  31           HB3      PHE  31 -12.473  -1.895  -2.572
    5    HD1  PHE  31           HD1      PHE  31 -14.013  -1.426   0.677
    6    HD2  PHE  31           HD2      PHE  31 -11.060   0.061  -2.002
    7    HE1  PHE  31           HE1      PHE  31 -12.955  -0.198   2.527
    8    HE2  PHE  31           HE2      PHE  31 -10.004   1.292  -0.155
    9    HZ   PHE  31           HZ       PHE  31 -10.950   1.168   2.114

  No H/Q in entry =           9
  In of MODEL   29
    1    H    HIS  32           H        HIS  32 -15.727  -1.964  -1.344
    2    HA   HIS  32           HA       HIS  32 -16.554   0.045   0.491
    3    HB2  HIS  32           HB2      HIS  32 -18.111   0.697  -1.342
    4    HB3  HIS  32           HB3      HIS  32 -18.671  -0.968  -1.481
    5    HD2  HIS  32           HD2      HIS  32 -20.562  -1.751   0.377
    6    HE1  HIS  32           HE1      HIS  32 -20.944   2.071   2.148
    7    HE2  HIS  32           HE2      HIS  32 -21.812  -0.309   2.139

  No H/Q in entry =           7
  In of MODEL   29
    1    HA   PRO  33           HA       PRO  33 -18.492  -0.201   2.313
    2    HB2  PRO  33           HB2      PRO  33 -18.120  -0.794   4.894
    3    HB3  PRO  33           HB3      PRO  33 -19.404  -1.551   3.942
    4    HG2  PRO  33           HG2      PRO  33 -16.698  -2.621   4.653
    5    HG3  PRO  33           HG3      PRO  33 -18.276  -3.426   4.752
    6    HD2  PRO  33           HD2      PRO  33 -16.574  -3.811   2.687
    7    HD3  PRO  33           HD3      PRO  33 -18.337  -3.869   2.496

  No H/Q in entry =           7
  In of MODEL   29
    1    H    SER  34           H        SER  34 -17.617   0.961   4.473
    2    HA   SER  34           HA       SER  34 -15.307   2.341   3.579
    3    HB2  SER  34           HB2      SER  34 -15.612   3.692   5.672
    4    HB3  SER  34           HB3      SER  34 -17.077   3.536   4.693
    5    HG   SER  34           HG       SER  34 -16.835   1.524   6.532

  No H/Q in entry =           5
  In of MODEL   29
    1    H    ASP  35           H        ASP  35 -14.586  -0.432   4.269
    2    HA   ASP  35           HA       ASP  35 -12.279   0.264   5.881
    3    HB2  ASP  35           HB2      ASP  35 -12.586  -1.317   7.657
    4    HB3  ASP  35           HB3      ASP  35 -14.083  -0.393   7.560

  No H/Q in entry =           4
  In of MODEL   29
    1    H    ILE  36           H        ILE  36 -10.537  -0.801   5.362
    2    HA   ILE  36           HA       ILE  36 -10.625  -3.573   4.513
    3    HB   ILE  36           HB       ILE  36 -10.620  -2.119   2.385
    4   HG12  ILE  36          HG12      ILE  36  -8.648  -4.265   3.076
    5   HG13  ILE  36          HG13      ILE  36 -10.052  -4.346   2.018
    6   HG21  ILE  36          HG21      ILE  36  -7.817  -1.596   3.367
    7   HG22  ILE  36          HG22      ILE  36  -8.384  -1.257   1.733
    8   HG23  ILE  36          HG23      ILE  36  -9.076  -0.389   3.100
    9   HD11  ILE  36          HD11      ILE  36  -7.472  -2.927   1.381
   10   HD12  ILE  36          HD12      ILE  36  -7.936  -4.522   0.793
   11   HD13  ILE  36          HD13      ILE  36  -8.860  -3.099   0.307

  No H/Q in entry =          11
  In of MODEL   29
    1    H    GLU  37           H        GLU  37  -8.519  -4.600   4.801
    2    HA   GLU  37           HA       GLU  37  -6.694  -3.008   6.467
    3    HB2  GLU  37           HB2      GLU  37  -7.910  -5.048   7.487
    4    HB3  GLU  37           HB3      GLU  37  -6.849  -6.009   6.465
    5    HG2  GLU  37           HG2      GLU  37  -5.841  -5.922   8.610
    6    HG3  GLU  37           HG3      GLU  37  -4.902  -4.849   7.568

  No H/Q in entry =           6
  In of MODEL   29
    1    H    VAL  38           H        VAL  38  -4.781  -2.642   5.598
    2    HA   VAL  38           HA       VAL  38  -3.717  -4.538   3.653
    3    HB   VAL  38           HB       VAL  38  -4.048  -3.118   1.976
    4   HG11  VAL  38          HG11      VAL  38  -5.734  -1.967   3.237
    5   HG12  VAL  38          HG12      VAL  38  -4.515  -0.927   3.975
    6   HG13  VAL  38          HG13      VAL  38  -4.830  -0.825   2.241
    7   HG21  VAL  38          HG21      VAL  38  -2.011  -1.372   3.366
    8   HG22  VAL  38          HG22      VAL  38  -1.670  -2.674   2.232
    9   HG23  VAL  38          HG23      VAL  38  -2.497  -1.215   1.675

  No H/Q in entry =           9
  In of MODEL   29
    1    H    ASP  39           H        ASP  39  -1.614  -4.872   3.721
    2    HA   ASP  39           HA       ASP  39  -0.081  -3.488   5.814
    3    HB2  ASP  39           HB2      ASP  39   0.093  -5.316   7.103
    4    HB3  ASP  39           HB3      ASP  39  -1.122  -6.063   6.086

  No H/Q in entry =           4
  In of MODEL   29
    1    H    LEU  40           H        LEU  40   2.144  -3.373   5.493
    2    HA   LEU  40           HA       LEU  40   2.850  -3.625   2.667
    3    HB2  LEU  40           HB2      LEU  40   4.339  -2.146   4.831
    4    HB3  LEU  40           HB3      LEU  40   4.587  -2.020   3.099
    5    HG   LEU  40           HG       LEU  40   2.201  -1.028   4.652
    6   HD11  LEU  40          HD11      LEU  40   4.466   0.378   3.245
    7   HD12  LEU  40          HD12      LEU  40   3.023   1.181   3.868
    8   HD13  LEU  40          HD13      LEU  40   4.126   0.363   4.978
    9   HD21  LEU  40          HD21      LEU  40   2.762  -0.958   1.695
   10   HD22  LEU  40          HD22      LEU  40   1.431  -1.784   2.506
   11   HD23  LEU  40          HD23      LEU  40   1.505  -0.019   2.504

  No H/Q in entry =          11
  In of MODEL   29
    1    H    LEU  41           H        LEU  41   4.623  -4.788   2.006
    2    HA   LEU  41           HA       LEU  41   5.744  -6.578   4.049
    3    HB2  LEU  41           HB2      LEU  41   5.535  -7.215   1.141
    4    HB3  LEU  41           HB3      LEU  41   5.868  -8.298   2.458
    5    HG   LEU  41           HG       LEU  41   3.223  -6.936   2.015
    6   HD11  LEU  41          HD11      LEU  41   4.148  -9.738   1.403
    7   HD12  LEU  41          HD12      LEU  41   2.478  -9.183   1.321
    8   HD13  LEU  41          HD13      LEU  41   3.684  -8.498   0.237
    9   HD21  LEU  41          HD21      LEU  41   4.070  -9.126   3.912
   10   HD22  LEU  41          HD22      LEU  41   3.650  -7.471   4.353
   11   HD23  LEU  41          HD23      LEU  41   2.422  -8.544   3.683

  No H/Q in entry =          11
  In of MODEL   29
    1    H    LYS  42           H        LYS  42   7.604  -7.778   3.049
    2    HA   LYS  42           HA       LYS  42   9.537  -6.183   1.636
    3    HB2  LYS  42           HB2      LYS  42  10.198  -7.200   4.397
    4    HB3  LYS  42           HB3      LYS  42  11.302  -6.403   3.285
    5    HG2  LYS  42           HG2      LYS  42   9.738  -4.378   3.362
    6    HG3  LYS  42           HG3      LYS  42   8.904  -5.212   4.645
    7    HD2  LYS  42           HD2      LYS  42  10.622  -4.985   6.178
    8    HD3  LYS  42           HD3      LYS  42  11.884  -4.863   4.944
    9    HE2  LYS  42           HE2      LYS  42  10.845  -2.629   4.331
   10    HE3  LYS  42           HE3      LYS  42   9.887  -2.774   5.805
   11    HZ1  LYS  42           HZ1      LYS  42  12.858  -2.818   5.702
   12    HZ2  LYS  42           HZ2      LYS  42  11.925  -1.472   6.122
   13    HZ3  LYS  42           HZ3      LYS  42  11.900  -2.851   7.104

  No H/Q in entry =          13
  In of MODEL   29
    1    H    ASN  43           H        ASN  43   9.755  -7.615   0.121
    2    HA   ASN  43           HA       ASN  43  10.255  -9.492  -1.044
    3    HB2  ASN  43           HB2      ASN  43  11.716 -10.122   1.505
    4    HB3  ASN  43           HB3      ASN  43  11.698 -11.256   0.161
    5   HD21  ASN  43          HD21      ASN  43  12.903  -8.254   1.365
    6   HD22  ASN  43          HD22      ASN  43  14.019  -7.953   0.074

  No H/Q in entry =           6
  In of MODEL   29
    1    H    GLY  44           H        GLY  44   8.441  -9.700   1.789
    2    HA2  GLY  44           HA2      GLY  44   7.576 -12.433   1.452
    3    HA3  GLY  44           HA3      GLY  44   6.410 -11.227   0.910

  No H/Q in entry =           3
  In of MODEL   29
    1    H    GLU  45           H        GLU  45   8.209  -9.943   3.366
    2    HA   GLU  45           HA       GLU  45   6.604 -11.148   5.502
    3    HB2  GLU  45           HB2      GLU  45   9.257  -9.740   5.593
    4    HB3  GLU  45           HB3      GLU  45   8.492 -10.605   6.925
    5    HG2  GLU  45           HG2      GLU  45   9.279 -11.851   4.312
    6    HG3  GLU  45           HG3      GLU  45  10.287 -11.835   5.736

  No H/Q in entry =           6
  In of MODEL   29
    1    H    ARG  46           H        ARG  46   5.598  -9.919   7.003
    2    HA   ARG  46           HA       ARG  46   4.559  -7.457   6.165
    3    HB2  ARG  46           HB2      ARG  46   3.316  -9.003   7.556
    4    HB3  ARG  46           HB3      ARG  46   4.504  -8.859   8.834
    5    HG2  ARG  46           HG2      ARG  46   3.778  -6.733   9.404
    6    HG3  ARG  46           HG3      ARG  46   2.908  -6.527   7.867
    7    HD2  ARG  46           HD2      ARG  46   2.175  -8.397  10.129
    8    HD3  ARG  46           HD3      ARG  46   1.217  -7.077   9.474
    9    HE   ARG  46           HE       ARG  46   1.288  -8.478   7.332
   10   HH11  ARG  46          HH11      ARG  46   1.099  -9.749  10.595
   11   HH12  ARG  46          HH12      ARG  46   0.268 -11.199  10.113
   12   HH21  ARG  46          HH21      ARG  46   0.205 -10.376   6.703
   13   HH22  ARG  46          HH22      ARG  46  -0.227 -11.557   7.896

  No H/Q in entry =          13
  In of MODEL   29
    1    H    ILE  47           H        ILE  47   5.007  -5.395   6.643
    2    HA   ILE  47           HA       ILE  47   7.347  -4.763   8.273
    3    HB   ILE  47           HB       ILE  47   5.553  -2.908   6.685
    4   HG12  ILE  47          HG12      ILE  47   8.337  -3.813   5.976
    5   HG13  ILE  47          HG13      ILE  47   6.895  -4.547   5.283
    6   HG21  ILE  47          HG21      ILE  47   6.715  -1.842   8.568
    7   HG22  ILE  47          HG22      ILE  47   8.256  -2.422   7.938
    8   HG23  ILE  47          HG23      ILE  47   7.310  -1.254   7.015
    9   HD11  ILE  47          HD11      ILE  47   7.631  -1.635   5.066
   10   HD12  ILE  47          HD12      ILE  47   7.877  -2.841   3.803
   11   HD13  ILE  47          HD13      ILE  47   6.248  -2.425   4.318

  No H/Q in entry =          11
  In of MODEL   29
    1    H    GLU  48           H        GLU  48   7.166  -3.763  10.235
    2    HA   GLU  48           HA       GLU  48   4.445  -3.759  11.267
    3    HB2  GLU  48           HB2      GLU  48   5.721  -3.704  13.538
    4    HB3  GLU  48           HB3      GLU  48   5.568  -5.194  12.632
    5    HG2  GLU  48           HG2      GLU  48   7.987  -3.439  12.496
    6    HG3  GLU  48           HG3      GLU  48   7.805  -4.733  13.659

  No H/Q in entry =           6
  In of MODEL   29
    1    H    LYS  49           H        LYS  49   7.272  -1.541  11.116
    2    HA   LYS  49           HA       LYS  49   6.028   0.506  12.570
    3    HB2  LYS  49           HB2      LYS  49   8.114   0.784  10.420
    4    HB3  LYS  49           HB3      LYS  49   7.771   1.929  11.713
    5    HG2  LYS  49           HG2      LYS  49   8.523  -0.860  12.364
    6    HG3  LYS  49           HG3      LYS  49   9.758   0.279  11.913
    7    HD2  LYS  49           HD2      LYS  49   9.607   0.262  14.300
    8    HD3  LYS  49           HD3      LYS  49   8.902   1.777  13.740
    9    HE2  LYS  49           HE2      LYS  49   6.686   0.952  14.071
   10    HE3  LYS  49           HE3      LYS  49   7.279  -0.681  14.364
   11    HZ1  LYS  49           HZ1      LYS  49   8.345   0.121  16.387
   12    HZ2  LYS  49           HZ2      LYS  49   7.729   1.679  16.113
   13    HZ3  LYS  49           HZ3      LYS  49   6.673   0.388  16.421

  No H/Q in entry =          13
  In of MODEL   29
    1    H    VAL  50           H        VAL  50   4.886  -0.708   9.774
    2    HA   VAL  50           HA       VAL  50   4.201   1.494   8.212
    3    HB   VAL  50           HB       VAL  50   2.530  -0.959   8.784
    4   HG11  VAL  50          HG11      VAL  50   1.270   0.946   7.797
    5   HG12  VAL  50          HG12      VAL  50   2.397   0.933   6.436
    6   HG13  VAL  50          HG13      VAL  50   1.361  -0.465   6.731
    7   HG21  VAL  50          HG21      VAL  50   4.754  -1.486   7.921
    8   HG22  VAL  50          HG22      VAL  50   3.497  -1.852   6.742
    9   HG23  VAL  50          HG23      VAL  50   4.479  -0.404   6.557

  No H/Q in entry =           9
  In of MODEL   29
    1    H    GLU  51           H        GLU  51   2.682   3.074   8.372
    2    HA   GLU  51           HA       GLU  51   0.776   2.912  10.588
    3    HB2  GLU  51           HB2      GLU  51   2.398   5.369   9.897
    4    HB3  GLU  51           HB3      GLU  51   1.114   5.285  11.099
    5    HG2  GLU  51           HG2      GLU  51   2.449   3.656  12.373
    6    HG3  GLU  51           HG3      GLU  51   3.749   3.835  11.197

  No H/Q in entry =           6
  In of MODEL   29
    1    H    HIS  52           H        HIS  52  -1.149   3.845  10.240
    2    HA   HIS  52           HA       HIS  52  -1.696   4.797   7.511
    3    HB2  HIS  52           HB2      HIS  52  -4.078   4.089   7.964
    4    HB3  HIS  52           HB3      HIS  52  -2.911   2.788   7.806
    5    HD2  HIS  52           HD2      HIS  52  -2.086   1.741  10.447
    6    HE1  HIS  52           HE1      HIS  52  -5.842   2.781  12.085
    7    HE2  HIS  52           HE2      HIS  52  -3.852   1.222  12.269

  No H/Q in entry =           7
  In of MODEL   29
    1    H    SER  53           H        SER  53  -2.504   6.767   7.229
    2    HA   SER  53           HA       SER  53  -2.806   8.496   9.529
    3    HB2  SER  53           HB2      SER  53  -1.682   9.183   7.359
    4    HB3  SER  53           HB3      SER  53  -3.280   9.185   6.618
    5    HG   SER  53           HG       SER  53  -2.909  10.648   8.982

  No H/Q in entry =           5
  In of MODEL   29
    1    H    ASP  54           H        ASP  54  -4.769  10.110   9.356
    2    HA   ASP  54           HA       ASP  54  -7.043   8.695  10.064
    3    HB2  ASP  54           HB2      ASP  54  -6.684  11.012  10.736
    4    HB3  ASP  54           HB3      ASP  54  -6.870  11.544   9.065

  No H/Q in entry =           4
  In of MODEL   29
    1    H    LEU  55           H        LEU  55  -8.585   7.752   9.061
    2    HA   LEU  55           HA       LEU  55  -8.656   6.565   6.771
    3    HB2  LEU  55           HB2      LEU  55 -10.543   6.899   8.607
    4    HB3  LEU  55           HB3      LEU  55 -11.259   7.889   7.357
    5    HG   LEU  55           HG       LEU  55 -12.113   5.548   7.451
    6   HD11  LEU  55          HD11      LEU  55 -12.274   6.886   5.396
    7   HD12  LEU  55          HD12      LEU  55 -10.721   6.235   4.872
    8   HD13  LEU  55          HD13      LEU  55 -12.108   5.161   5.072
    9   HD21  LEU  55          HD21      LEU  55  -9.325   4.879   6.532
   10   HD22  LEU  55          HD22      LEU  55 -10.083   4.398   8.050
   11   HD23  LEU  55          HD23      LEU  55 -10.695   3.769   6.519

  No H/Q in entry =          11
  In of MODEL   29
    1    H    SER  56           H        SER  56 -11.170   8.861   6.283
    2    HA   SER  56           HA       SER  56 -10.138  10.748   4.590
    3    HB2  SER  56           HB2      SER  56  -9.371   8.657   3.285
    4    HB3  SER  56           HB3      SER  56 -11.074   8.433   2.884
    5    HG   SER  56           HG       SER  56  -9.253  10.264   1.930

  No H/Q in entry =           5
  In of MODEL   29
    1    H    PHE  57           H        PHE  57 -11.870  11.318   2.802
    2    HA   PHE  57           HA       PHE  57 -14.559  10.595   3.731
    3    HB2  PHE  57           HB2      PHE  57 -15.320  12.900   3.169
    4    HB3  PHE  57           HB3      PHE  57 -14.202  12.845   4.525
    5    HD1  PHE  57           HD1      PHE  57 -14.836  14.119   1.215
    6    HD2  PHE  57           HD2      PHE  57 -11.836  13.578   4.189
    7    HE1  PHE  57           HE1      PHE  57 -13.431  15.802   0.100
    8    HE2  PHE  57           HE2      PHE  57 -10.428  15.259   3.078
    9    HZ   PHE  57           HZ       PHE  57 -11.223  16.375   1.031

  No H/Q in entry =           9
  In of MODEL   29
    1    H    SER  58           H        SER  58 -15.852   9.859   2.185
    2    HA   SER  58           HA       SER  58 -14.816   9.308  -0.382
    3    HB2  SER  58           HB2      SER  58 -16.512   7.903   0.730
    4    HB3  SER  58           HB3      SER  58 -17.688   9.208   0.577
    5    HG   SER  58           HG       SER  58 -16.354   8.104  -1.665

  No H/Q in entry =           5
  In of MODEL   29
    1    H    LYS  59           H        LYS  59 -14.783  10.469  -2.166
    2    HA   LYS  59           HA       LYS  59 -16.163  13.012  -2.278
    3    HB2  LYS  59           HB2      LYS  59 -13.867  12.942  -3.052
    4    HB3  LYS  59           HB3      LYS  59 -14.252  11.663  -4.195
    5    HG2  LYS  59           HG2      LYS  59 -15.637  13.170  -5.472
    6    HG3  LYS  59           HG3      LYS  59 -15.375  14.453  -4.291
    7    HD2  LYS  59           HD2      LYS  59 -13.047  14.572  -4.832
    8    HD3  LYS  59           HD3      LYS  59 -13.158  13.136  -5.850
    9    HE2  LYS  59           HE2      LYS  59 -13.085  15.312  -7.092
   10    HE3  LYS  59           HE3      LYS  59 -14.466  14.287  -7.474
   11    HZ1  LYS  59           HZ1      LYS  59 -14.490  16.622  -5.630
   12    HZ2  LYS  59           HZ2      LYS  59 -15.122  16.589  -7.205
   13    HZ3  LYS  59           HZ3      LYS  59 -15.827  15.637  -5.992

  No H/Q in entry =          13
  In of MODEL   29
    1    H    ASP  60           H        ASP  60 -15.778  10.639  -4.884
    2    HA   ASP  60           HA       ASP  60 -18.691  10.569  -5.181
    3    HB2  ASP  60           HB2      ASP  60 -17.937  12.306  -6.723
    4    HB3  ASP  60           HB3      ASP  60 -16.790  11.182  -7.447

  No H/Q in entry =           4
  In of MODEL   29
    1    H    TRP  61           H        TRP  61 -15.677   9.337  -6.608
    2    HA   TRP  61           HA       TRP  61 -17.024   7.023  -7.601
    3    HB2  TRP  61           HB2      TRP  61 -15.073   8.172  -8.724
    4    HB3  TRP  61           HB3      TRP  61 -14.044   7.484  -7.473
    5    HD1  TRP  61           HD1      TRP  61 -13.005   5.201  -8.053
    6    HE1  TRP  61           HE1      TRP  61 -13.474   3.348  -9.790
    7    HE3  TRP  61           HE3      TRP  61 -17.300   7.079 -10.079
    8    HZ2  TRP  61           HZ2      TRP  61 -15.419   2.771 -11.745
    9    HZ3  TRP  61           HZ3      TRP  61 -18.416   5.832 -11.873
   10    HH2  TRP  61           HH2      TRP  61 -17.481   3.694 -12.701

  No H/Q in entry =          10
  In of MODEL   29
    1    H    SER  62           H        SER  62 -15.073   7.802  -4.819
    2    HA   SER  62           HA       SER  62 -15.900   5.579  -3.337
    3    HB2  SER  62           HB2      SER  62 -14.372   4.491  -5.092
    4    HB3  SER  62           HB3      SER  62 -13.034   5.290  -4.261
    5    HG   SER  62           HG       SER  62 -14.799   3.305  -3.258

  No H/Q in entry =           5
  In of MODEL   29
    1    H    PHE  63           H        PHE  63 -13.786   5.146  -1.709
    2    HA   PHE  63           HA       PHE  63 -12.891   7.769  -0.740
    3    HB2  PHE  63           HB2      PHE  63 -13.175   6.590   1.605
    4    HB3  PHE  63           HB3      PHE  63 -14.544   7.393   0.842
    5    HD1  PHE  63           HD1      PHE  63 -16.490   6.239   0.364
    6    HD2  PHE  63           HD2      PHE  63 -12.945   4.068   1.291
    7    HE1  PHE  63           HE1      PHE  63 -17.798   4.153   0.473
    8    HE2  PHE  63           HE2      PHE  63 -14.247   1.981   1.401
    9    HZ   PHE  63           HZ       PHE  63 -16.676   2.023   0.990

  No H/Q in entry =           9
  In of MODEL   29
    1    H    TYR  64           H        TYR  64 -11.021   7.390   0.906
    2    HA   TYR  64           HA       TYR  64  -9.374   5.255  -0.280
    3    HB2  TYR  64           HB2      TYR  64  -8.233   7.917   0.547
    4    HB3  TYR  64           HB3      TYR  64  -7.571   6.738  -0.582
    5    HD1  TYR  64           HD1      TYR  64  -8.912   6.391  -2.805
    6    HD2  TYR  64           HD2      TYR  64  -9.375   9.764  -0.248
    7    HE1  TYR  64           HE1      TYR  64  -9.884   7.674  -4.674
    8    HE2  TYR  64           HE2      TYR  64 -10.342  11.047  -2.108
    9    HH   TYR  64           HH       TYR  64 -11.251   9.573  -5.083

  No H/Q in entry =           9
  In of MODEL   29
    1    H    LEU  65           H        LEU  65  -7.957   4.197   1.013
    2    HA   LEU  65           HA       LEU  65  -7.440   5.305   3.673
    3    HB2  LEU  65           HB2      LEU  65  -8.911   3.568   4.218
    4    HB3  LEU  65           HB3      LEU  65  -8.277   2.500   2.985
    5    HG   LEU  65           HG       LEU  65  -6.383   3.190   5.150
    6   HD11  LEU  65          HD11      LEU  65  -8.621   2.983   6.272
    7   HD12  LEU  65          HD12      LEU  65  -8.673   1.322   5.682
    8   HD13  LEU  65          HD13      LEU  65  -7.399   1.829   6.792
    9   HD21  LEU  65          HD21      LEU  65  -7.255   0.631   3.822
   10   HD22  LEU  65          HD22      LEU  65  -5.848   1.601   3.383
   11   HD23  LEU  65          HD23      LEU  65  -5.913   0.801   4.954

  No H/Q in entry =          11
  In of MODEL   29
    1    H    LEU  66           H        LEU  66  -5.343   5.378   4.231
    2    HA   LEU  66           HA       LEU  66  -3.480   4.535   2.114
    3    HB2  LEU  66           HB2      LEU  66  -4.042   7.056   2.901
    4    HB3  LEU  66           HB3      LEU  66  -2.753   6.677   3.999
    5    HG   LEU  66           HG       LEU  66  -2.515   6.570   1.007
    6   HD11  LEU  66          HD11      LEU  66  -1.588   8.635   3.001
    7   HD12  LEU  66          HD12      LEU  66  -1.119   8.600   1.304
    8   HD13  LEU  66          HD13      LEU  66  -2.808   8.851   1.750
    9   HD21  LEU  66          HD21      LEU  66  -0.404   6.326   3.142
   10   HD22  LEU  66          HD22      LEU  66  -0.972   5.031   2.091
   11   HD23  LEU  66          HD23      LEU  66  -0.103   6.408   1.404

  No H/Q in entry =          11
  In of MODEL   29
    1    H    TYR  67           H        TYR  67  -1.760   3.341   2.659
    2    HA   TYR  67           HA       TYR  67  -0.994   3.122   5.493
    3    HB2  TYR  67           HB2      TYR  67  -1.686   0.964   3.585
    4    HB3  TYR  67           HB3      TYR  67  -0.278   0.688   4.600
    5    HD1  TYR  67           HD1      TYR  67  -0.538   0.662   7.079
    6    HD2  TYR  67           HD2      TYR  67  -3.900   0.770   4.471
    7    HE1  TYR  67           HE1      TYR  67  -1.974  -0.158   8.901
    8    HE2  TYR  67           HE2      TYR  67  -5.324  -0.060   6.276
    9    HH   TYR  67           HH       TYR  67  -5.073  -1.357   8.404

  No H/Q in entry =           9
  In of MODEL   29
    1    H    TYR  68           H        TYR  68   1.015   3.843   5.756
    2    HA   TYR  68           HA       TYR  68   2.924   3.438   3.559
    3    HB2  TYR  68           HB2      TYR  68   3.747   5.760   3.821
    4    HB3  TYR  68           HB3      TYR  68   2.069   5.708   3.285
    5    HD1  TYR  68           HD1      TYR  68   0.288   6.504   4.709
    6    HD2  TYR  68           HD2      TYR  68   4.320   6.573   6.061
    7    HE1  TYR  68           HE1      TYR  68  -0.356   8.030   6.528
    8    HE2  TYR  68           HE2      TYR  68   3.684   8.089   7.892
    9    HH   TYR  68           HH       TYR  68   1.952   9.649   8.484

  No H/Q in entry =           9
  In of MODEL   29
    1    H    THR  69           H        THR  69   5.185   3.812   4.186
    2    HA   THR  69           HA       THR  69   5.760   3.755   7.039
    3    HB   THR  69           HB       THR  69   5.500   1.352   6.424
    4    HG1  THR  69           HG1      THR  69   8.202   2.087   6.982
    5   HG21  THR  69          HG21      THR  69   7.730   1.971   4.484
    6   HG22  THR  69          HG22      THR  69   7.351   0.335   5.027
    7   HG23  THR  69          HG23      THR  69   6.147   1.268   4.134

  No H/Q in entry =           7
  In of MODEL   29
    1    H    GLU  70           H        GLU  70   7.827   4.459   7.527
    2    HA   GLU  70           HA       GLU  70   9.251   5.795   5.374
    3    HB2  GLU  70           HB2      GLU  70   8.785   6.891   7.617
    4    HB3  GLU  70           HB3      GLU  70   9.879   5.727   8.344
    5    HG2  GLU  70           HG2      GLU  70  10.873   7.436   6.117
    6    HG3  GLU  70           HG3      GLU  70  10.670   8.137   7.719

  No H/Q in entry =           6
  In of MODEL   29
    1    H    PHE  71           H        PHE  71  11.162   5.070   4.536
    2    HA   PHE  71           HA       PHE  71  12.415   2.749   5.717
    3    HB2  PHE  71           HB2      PHE  71  12.179   1.321   3.753
    4    HB3  PHE  71           HB3      PHE  71  10.601   1.732   4.404
    5    HD1  PHE  71           HD1      PHE  71  10.894   4.642   3.005
    6    HD2  PHE  71           HD2      PHE  71  11.079   0.598   1.716
    7    HE1  PHE  71           HE1      PHE  71  10.165   5.325   0.749
    8    HE2  PHE  71           HE2      PHE  71  10.338   1.257  -0.526
    9    HZ   PHE  71           HZ       PHE  71   9.896   3.637  -1.030

  No H/Q in entry =           9
  In of MODEL   29
    1    H    THR  72           H        THR  72  14.418   2.137   4.590
    2    HA   THR  72           HA       THR  72  15.482   4.318   2.927
    3    HB   THR  72           HB       THR  72  17.090   2.401   4.623
    4    HG1  THR  72           HG1      THR  72  15.624   4.498   5.391
    5   HG21  THR  72          HG21      THR  72  17.841   4.984   3.236
    6   HG22  THR  72          HG22      THR  72  18.905   4.015   4.262
    7   HG23  THR  72          HG23      THR  72  18.316   3.359   2.734

  No H/Q in entry =           7
  In of MODEL   29
    1    HA   PRO  73           HA       PRO  73  14.849   0.677   0.069
    2    HB2  PRO  73           HB2      PRO  73  15.391   2.431  -2.094
    3    HB3  PRO  73           HB3      PRO  73  13.795   1.908  -1.532
    4    HG2  PRO  73           HG2      PRO  73  15.297   4.413  -0.952
    5    HG3  PRO  73           HG3      PRO  73  13.547   4.173  -1.131
    6    HD2  PRO  73           HD2      PRO  73  14.645   4.527   1.275
    7    HD3  PRO  73           HD3      PRO  73  13.319   3.362   1.044

  No H/Q in entry =           7
  In of MODEL   29
    1    H    THR  74           H        THR  74  16.272  -0.528  -1.073
    2    HA   THR  74           HA       THR  74  18.912   0.560  -1.650
    3    HB   THR  74           HB       THR  74  20.105  -1.337  -0.779
    4    HG1  THR  74           HG1      THR  74  17.506  -2.361  -0.296
    5   HG21  THR  74          HG21      THR  74  19.651   0.429   0.859
    6   HG22  THR  74          HG22      THR  74  18.148  -0.378   1.311
    7   HG23  THR  74          HG23      THR  74  19.698  -1.156   1.634

  No H/Q in entry =           7
  In of MODEL   29
    1    H    GLU  75           H        GLU  75  20.140  -1.142  -3.026
    2    HA   GLU  75           HA       GLU  75  18.655  -1.861  -5.279
    3    HB2  GLU  75           HB2      GLU  75  21.199  -1.522  -4.930
    4    HB3  GLU  75           HB3      GLU  75  21.217  -3.200  -4.442
    5    HG2  GLU  75           HG2      GLU  75  20.273  -2.197  -7.107
    6    HG3  GLU  75           HG3      GLU  75  21.873  -2.842  -6.771

  No H/Q in entry =           6
  In of MODEL   29
    1    H    LYS  76           H        LYS  76  19.614  -3.721  -2.450
    2    HA   LYS  76           HA       LYS  76  18.924  -6.189  -3.757
    3    HB2  LYS  76           HB2      LYS  76  20.337  -5.525  -1.197
    4    HB3  LYS  76           HB3      LYS  76  19.934  -7.173  -1.659
    5    HG2  LYS  76           HG2      LYS  76  21.561  -7.277  -3.219
    6    HG3  LYS  76           HG3      LYS  76  21.337  -5.597  -3.709
    7    HD2  LYS  76           HD2      LYS  76  22.559  -4.815  -1.812
    8    HD3  LYS  76           HD3      LYS  76  22.665  -6.448  -1.147
    9    HE2  LYS  76           HE2      LYS  76  24.031  -7.147  -3.041
   10    HE3  LYS  76           HE3      LYS  76  23.882  -5.545  -3.760
   11    HZ1  LYS  76           HZ1      LYS  76  24.963  -4.688  -1.678
   12    HZ2  LYS  76           HZ2      LYS  76  25.325  -6.296  -1.281
   13    HZ3  LYS  76           HZ3      LYS  76  25.961  -5.605  -2.697

  No H/Q in entry =          13
  In of MODEL   29
    1    H    ASP  77           H        ASP  77  17.547  -4.090  -1.314
    2    HA   ASP  77           HA       ASP  77  15.913  -6.337  -0.395
    3    HB2  ASP  77           HB2      ASP  77  15.102  -4.940   1.385
    4    HB3  ASP  77           HB3      ASP  77  16.841  -4.745   1.310

  No H/Q in entry =           4
  In of MODEL   29
    1    H    GLU  78           H        GLU  78  13.466  -5.725  -0.072
    2    HA   GLU  78           HA       GLU  78  12.401  -4.409  -2.425
    3    HB2  GLU  78           HB2      GLU  78  13.249  -6.687  -3.120
    4    HB3  GLU  78           HB3      GLU  78  12.056  -7.401  -2.059
    5    HG2  GLU  78           HG2      GLU  78  11.030  -7.526  -4.097
    6    HG3  GLU  78           HG3      GLU  78  10.377  -6.002  -3.512

  No H/Q in entry =           6
  In of MODEL   29
    1    H    TYR  79           H        TYR  79  10.207  -3.965  -2.146
    2    HA   TYR  79           HA       TYR  79   9.022  -4.996   0.324
    3    HB2  TYR  79           HB2      TYR  79   8.398  -2.192  -0.541
    4    HB3  TYR  79           HB3      TYR  79   8.289  -2.919   1.066
    5    HD1  TYR  79           HD1      TYR  79  10.762  -1.730  -1.465
    6    HD2  TYR  79           HD2      TYR  79   9.972  -2.606   2.625
    7    HE1  TYR  79           HE1      TYR  79  12.898  -0.693  -0.835
    8    HE2  TYR  79           HE2      TYR  79  12.106  -1.561   3.260
    9    HH   TYR  79           HH       TYR  79  14.491  -1.178   1.727

  No H/Q in entry =           9
  In of MODEL   29
    1    H    ALA  80           H        ALA  80   6.660  -4.798   0.435
    2    HA   ALA  80           HA       ALA  80   5.382  -4.810  -2.208
    3    HB1  ALA  80           HB1      ALA  80   4.580  -6.973  -2.109
    4    HB2  ALA  80           HB2      ALA  80   6.210  -7.152  -1.456
    5    HB3  ALA  80           HB3      ALA  80   4.820  -7.090  -0.374

  No H/Q in entry =           5
  In of MODEL   29
    1    H    CYS  81           H        CYS  81   2.997  -4.901  -2.089
    2    HA   CYS  81           HA       CYS  81   1.966  -3.845   0.463
    3    HB2  CYS  81           HB2      CYS  81   1.483  -3.100  -2.370
    4    HB3  CYS  81           HB3      CYS  81   0.065  -3.133  -1.325

  No H/Q in entry =           4
  In of MODEL   29
    1    H    ARG  82           H        ARG  82   0.424  -5.032   1.443
    2    HA   ARG  82           HA       ARG  82  -0.872  -7.231  -0.060
    3    HB2  ARG  82           HB2      ARG  82   0.719  -7.729   1.955
    4    HB3  ARG  82           HB3      ARG  82  -0.607  -7.098   2.923
    5    HG2  ARG  82           HG2      ARG  82  -2.095  -8.808   1.978
    6    HG3  ARG  82           HG3      ARG  82  -0.721  -9.486   1.100
    7    HD2  ARG  82           HD2      ARG  82  -0.852  -9.172   4.096
    8    HD3  ARG  82           HD3      ARG  82  -1.235 -10.659   3.244
    9    HE   ARG  82           HE       ARG  82   1.427  -9.401   3.130
   10   HH11  ARG  82          HH11      ARG  82  -0.643 -12.182   3.522
   11   HH12  ARG  82          HH12      ARG  82   0.662 -13.317   3.684
   12   HH21  ARG  82          HH21      ARG  82   3.172 -10.890   3.331
   13   HH22  ARG  82          HH22      ARG  82   2.839 -12.580   3.549

  No H/Q in entry =          13
  In of MODEL   29
    1    H    VAL  83           H        VAL  83  -3.113  -7.187  -0.101
    2    HA   VAL  83           HA       VAL  83  -4.407  -5.672   2.067
    3    HB   VAL  83           HB       VAL  83  -5.904  -4.526   0.772
    4   HG11  VAL  83          HG11      VAL  83  -3.430  -4.654  -0.899
    5   HG12  VAL  83          HG12      VAL  83  -4.673  -3.407  -0.999
    6   HG13  VAL  83          HG13      VAL  83  -3.731  -3.600   0.480
    7   HG21  VAL  83          HG21      VAL  83  -6.740  -6.378  -0.554
    8   HG22  VAL  83          HG22      VAL  83  -6.424  -4.971  -1.568
    9   HG23  VAL  83          HG23      VAL  83  -5.293  -6.322  -1.560

  No H/Q in entry =           9
  In of MODEL   29
    1    H    ASN  84           H        ASN  84  -6.195  -6.465   2.869
    2    HA   ASN  84           HA       ASN  84  -7.090  -9.085   1.886
    3    HB2  ASN  84           HB2      ASN  84  -7.309  -8.038   4.726
    4    HB3  ASN  84           HB3      ASN  84  -7.627  -9.673   4.177
    5   HD21  ASN  84          HD21      ASN  84  -5.076  -7.287   4.633
    6   HD22  ASN  84          HD22      ASN  84  -3.791  -8.434   4.854

  No H/Q in entry =           6
  In of MODEL   29
    1    H    HIS  85           H        HIS  85  -9.047  -8.869   0.863
    2    HA   HIS  85           HA       HIS  85 -11.173  -7.679   2.459
    3    HB2  HIS  85           HB2      HIS  85 -10.260  -6.174   0.472
    4    HB3  HIS  85           HB3      HIS  85 -11.218  -7.276  -0.507
    5    HD2  HIS  85           HD2      HIS  85 -11.869  -4.850   2.547
    6    HE1  HIS  85           HE1      HIS  85 -15.327  -5.141   0.125
    7    HE2  HIS  85           HE2      HIS  85 -14.203  -3.855   1.993

  No H/Q in entry =           7
  In of MODEL   29
    1    H    VAL  86           H        VAL  86 -13.246  -8.592   1.911
    2    HA   VAL  86           HA       VAL  86 -13.065 -11.393   1.574
    3    HB   VAL  86           HB       VAL  86 -15.499 -11.429   1.644
    4   HG11  VAL  86          HG11      VAL  86 -14.296 -11.168   3.742
    5   HG12  VAL  86          HG12      VAL  86 -14.338  -9.415   3.561
    6   HG13  VAL  86          HG13      VAL  86 -15.838 -10.314   3.791
    7   HG21  VAL  86          HG21      VAL  86 -15.878  -9.480   0.177
    8   HG22  VAL  86          HG22      VAL  86 -16.833  -9.417   1.660
    9   HG23  VAL  86          HG23      VAL  86 -15.386  -8.420   1.497

  No H/Q in entry =           9
  In of MODEL   29
    1    H    THR  87           H        THR  87 -13.407  -8.826  -0.663
    2    HA   THR  87           HA       THR  87 -14.783 -10.115  -2.736
    3    HB   THR  87           HB       THR  87 -13.795  -8.277  -4.115
    4    HG1  THR  87           HG1      THR  87 -12.780  -6.925  -1.975
    5   HG21  THR  87          HG21      THR  87 -14.937  -7.470  -1.442
    6   HG22  THR  87          HG22      THR  87 -14.879  -6.447  -2.878
    7   HG23  THR  87          HG23      THR  87 -15.862  -7.915  -2.876

  No H/Q in entry =           7
  In of MODEL   29
    1    H    LEU  88           H        LEU  88 -11.358  -9.529  -2.178
    2    HA   LEU  88           HA       LEU  88 -10.450 -10.697  -4.570
    3    HB2  LEU  88           HB2      LEU  88  -9.010 -10.279  -1.947
    4    HB3  LEU  88           HB3      LEU  88  -8.220 -10.796  -3.424
    5    HG   LEU  88           HG       LEU  88  -9.569  -8.142  -2.924
    6   HD11  LEU  88          HD11      LEU  88  -7.277  -8.490  -1.975
    7   HD12  LEU  88          HD12      LEU  88  -6.708  -8.771  -3.634
    8   HD13  LEU  88          HD13      LEU  88  -7.386  -7.197  -3.191
    9   HD21  LEU  88          HD21      LEU  88  -8.363  -9.241  -5.459
   10   HD22  LEU  88          HD22      LEU  88 -10.059  -8.846  -5.188
   11   HD23  LEU  88          HD23      LEU  88  -8.848  -7.565  -5.211

  No H/Q in entry =          11
  In of MODEL   29
    1    H    SER  89           H        SER  89 -11.350 -12.022  -1.524
    2    HA   SER  89           HA       SER  89 -11.693 -14.120  -0.801
    3    HB2  SER  89           HB2      SER  89 -12.777 -14.759  -2.754
    4    HB3  SER  89           HB3      SER  89 -11.301 -14.706  -3.687
    5    HG   SER  89           HG       SER  89 -11.287 -16.782  -3.347

  No H/Q in entry =           5
  In of MODEL   29
    1    H    GLN  90           H        GLN  90  -8.763 -13.234  -2.304
    2    HA   GLN  90           HA       GLN  90  -7.256 -14.800  -0.376
    3    HB2  GLN  90           HB2      GLN  90  -6.254 -14.544  -3.203
    4    HB3  GLN  90           HB3      GLN  90  -5.736 -15.666  -1.958
    5    HG2  GLN  90           HG2      GLN  90  -7.635 -17.039  -2.270
    6    HG3  GLN  90           HG3      GLN  90  -8.440 -15.810  -3.255
    7   HE21  GLN  90          HE21      GLN  90  -8.699 -17.191  -4.997
    8   HE22  GLN  90          HE22      GLN  90  -7.371 -17.696  -5.991

  No H/Q in entry =           8
  In of MODEL   29
    1    HA   PRO  91           HA       PRO  91  -5.937 -10.485   0.092
    2    HB2  PRO  91           HB2      PRO  91  -3.575 -11.952   1.212
    3    HB3  PRO  91           HB3      PRO  91  -4.409 -10.506   1.820
    4    HG2  PRO  91           HG2      PRO  91  -4.913 -12.824   2.955
    5    HG3  PRO  91           HG3      PRO  91  -6.264 -11.728   2.553
    6    HD2  PRO  91           HD2      PRO  91  -5.329 -14.218   1.129
    7    HD3  PRO  91           HD3      PRO  91  -7.004 -13.655   1.426

  No H/Q in entry =           7
  In of MODEL   29
    1    H    LYS  92           H        LYS  92  -4.425  -9.119  -0.856
    2    HA   LYS  92           HA       LYS  92  -3.263 -10.386  -3.236
    3    HB2  LYS  92           HB2      LYS  92  -5.237  -8.813  -3.465
    4    HB3  LYS  92           HB3      LYS  92  -4.139  -7.526  -2.981
    5    HG2  LYS  92           HG2      LYS  92  -4.305  -7.657  -5.397
    6    HG3  LYS  92           HG3      LYS  92  -2.676  -8.091  -4.842
    7    HD2  LYS  92           HD2      LYS  92  -2.851 -10.182  -5.579
    8    HD3  LYS  92           HD3      LYS  92  -4.484 -10.358  -4.940
    9    HE2  LYS  92           HE2      LYS  92  -4.589 -10.601  -7.318
   10    HE3  LYS  92           HE3      LYS  92  -5.344  -9.069  -6.856
   11    HZ1  LYS  92           HZ1      LYS  92  -2.555  -9.355  -7.859
   12    HZ2  LYS  92           HZ2      LYS  92  -3.874  -8.879  -8.815
   13    HZ3  LYS  92           HZ3      LYS  92  -3.368  -7.901  -7.531

  No H/Q in entry =          13
  In of MODEL   29
    1    H    ILE  93           H        ILE  93  -1.149 -10.183  -3.536
    2    HA   ILE  93           HA       ILE  93   0.244  -8.029  -2.093
    3    HB   ILE  93           HB       ILE  93   1.360 -10.659  -3.049
    4   HG12  ILE  93          HG12      ILE  93   1.960 -10.761  -0.512
    5   HG13  ILE  93          HG13      ILE  93   0.690  -9.563  -0.338
    6   HG21  ILE  93          HG21      ILE  93   2.973  -8.862  -3.386
    7   HG22  ILE  93          HG22      ILE  93   2.802  -8.393  -1.691
    8   HG23  ILE  93          HG23      ILE  93   3.491  -9.962  -2.107
    9   HD11  ILE  93          HD11      ILE  93  -0.899 -11.125  -1.337
   10   HD12  ILE  93          HD12      ILE  93   0.385 -12.323  -1.485
   11   HD13  ILE  93          HD13      ILE  93  -0.139 -11.784   0.109

  No H/Q in entry =          11
  In of MODEL   29
    1    H    VAL  94           H        VAL  94   1.112  -6.506  -3.256
    2    HA   VAL  94           HA       VAL  94   1.984  -7.109  -5.993
    3    HB   VAL  94           HB       VAL  94   0.702  -4.525  -5.059
    4   HG11  VAL  94          HG11      VAL  94   1.943  -5.216  -7.721
    5   HG12  VAL  94          HG12      VAL  94   1.010  -3.759  -7.378
    6   HG13  VAL  94          HG13      VAL  94   2.546  -4.036  -6.558
    7   HG21  VAL  94          HG21      VAL  94  -0.906  -6.292  -5.531
    8   HG22  VAL  94          HG22      VAL  94  -0.988  -5.033  -6.763
    9   HG23  VAL  94          HG23      VAL  94  -0.171  -6.557  -7.112

  No H/Q in entry =           9
  In of MODEL   29
    1    H    LYS  95           H        LYS  95   4.027  -6.640  -6.346
    2    HA   LYS  95           HA       LYS  95   5.544  -5.759  -4.029
    3    HB2  LYS  95           HB2      LYS  95   7.187  -7.089  -4.779
    4    HB3  LYS  95           HB3      LYS  95   5.988  -7.719  -5.890
    5    HG2  LYS  95           HG2      LYS  95   6.831  -6.452  -7.674
    6    HG3  LYS  95           HG3      LYS  95   7.761  -5.407  -6.590
    7    HD2  LYS  95           HD2      LYS  95   8.892  -7.608  -5.857
    8    HD3  LYS  95           HD3      LYS  95   8.268  -8.244  -7.369
    9    HE2  LYS  95           HE2      LYS  95  10.666  -7.190  -7.196
   10    HE3  LYS  95           HE3      LYS  95   9.676  -6.979  -8.643
   11    HZ1  LYS  95           HZ1      LYS  95   8.924  -4.846  -7.403
   12    HZ2  LYS  95           HZ2      LYS  95  10.371  -5.038  -6.536
   13    HZ3  LYS  95           HZ3      LYS  95  10.398  -4.866  -8.227

  No H/Q in entry =          13
  In of MODEL   29
    1    H    TRP  96           H        TRP  96   6.906  -3.991  -3.982
    2    HA   TRP  96           HA       TRP  96   6.138  -1.853  -5.786
    3    HB2  TRP  96           HB2      TRP  96   6.289  -1.407  -3.348
    4    HB3  TRP  96           HB3      TRP  96   7.983  -1.887  -3.355
    5    HD1  TRP  96           HD1      TRP  96   5.699   0.930  -4.714
    6    HE1  TRP  96           HE1      TRP  96   7.161   3.011  -5.094
    7    HE3  TRP  96           HE3      TRP  96  10.279  -1.090  -3.673
    8    HZ2  TRP  96           HZ2      TRP  96   9.887   3.704  -4.978
    9    HZ3  TRP  96           HZ3      TRP  96  12.269   0.341  -3.834
   10    HH2  TRP  96           HH2      TRP  96  12.071   2.708  -4.479

  No H/Q in entry =          10
  In of MODEL   29
    1    H    ASP  97           H        ASP  97   7.535  -0.955  -7.285
    2    HA   ASP  97           HA       ASP  97  10.261  -2.008  -7.332
    3    HB2  ASP  97           HB2      ASP  97  10.188  -2.443  -9.704
    4    HB3  ASP  97           HB3      ASP  97   8.891  -3.341  -8.916

  No H/Q in entry =           4
  In of MODEL   29
    1    H    ARG  98           H        ARG  98  11.756  -0.762  -8.324
    2    HA   ARG  98           HA       ARG  98  10.949   1.969  -8.993
    3    HB2  ARG  98           HB2      ARG  98  12.915   2.818  -7.995
    4    HB3  ARG  98           HB3      ARG  98  12.256   1.682  -6.846
    5    HG2  ARG  98           HG2      ARG  98  14.366   0.965  -6.695
    6    HG3  ARG  98           HG3      ARG  98  13.992   0.095  -8.184
    7    HD2  ARG  98           HD2      ARG  98  16.130   1.415  -8.236
    8    HD3  ARG  98           HD3      ARG  98  14.982   1.795  -9.525
    9    HE   ARG  98           HE       ARG  98  15.275   3.459  -7.103
   10   HH11  ARG  98          HH11      ARG  98  15.013   3.098 -10.574
   11   HH12  ARG  98          HH12      ARG  98  14.885   4.806 -10.868
   12   HH21  ARG  98          HH21      ARG  98  15.125   5.722  -7.482
   13   HH22  ARG  98          HH22      ARG  98  14.966   6.298  -9.113

  No H/Q in entry =          13
  In of MODEL   29
    1    H    ASP  99           H        ASP  99  12.935  -0.795  -9.721
    2    HA   ASP  99           HA       ASP  99  12.920   0.020 -12.516
    3    HB2  ASP  99           HB2      ASP  99  15.365  -0.485 -10.884
    4    HB3  ASP  99           HB3      ASP  99  15.334  -1.126 -12.523

  No H/Q in entry =           4
  In of MODEL   29
    1    H    MET 100           H        MET 100  12.894  -2.318 -10.025
    2    HA   MET 100           HA       MET 100  13.292  -4.580 -11.801
    3    HB2  MET 100           HB2      MET 100  12.660  -4.780  -8.866
    4    HB3  MET 100           HB3      MET 100  13.621  -5.861  -9.867
    5    HG2  MET 100           HG2      MET 100  14.419  -3.090  -9.003
    6    HG3  MET 100           HG3      MET 100  15.003  -4.603  -8.302
    7    HE1  MET 100           HE1      MET 100  16.563  -6.314  -9.549
    8    HE2  MET 100           HE2      MET 100  15.402  -6.455 -10.868
    9    HE3  MET 100           HE3      MET 100  17.100  -6.132 -11.219

  No H/Q in entry =           9
  In of MODEL   30
    1    HA   ILE   2           HA       ILE   2 -21.876  -6.767  -1.496
    2    HB   ILE   2           HB       ILE   2 -22.034  -5.856  -3.849
    3   HG12  ILE   2          HG12      ILE   2 -24.176  -4.109  -2.608
    4   HG13  ILE   2          HG13      ILE   2 -22.685  -3.545  -3.356
    5   HG21  ILE   2          HG21      ILE   2 -24.588  -6.685  -2.484
    6   HG22  ILE   2          HG22      ILE   2 -24.299  -6.740  -4.223
    7   HG23  ILE   2          HG23      ILE   2 -23.347  -7.754  -3.136
    8   HD11  ILE   2          HD11      ILE   2 -23.445  -4.404  -5.508
    9   HD12  ILE   2          HD12      ILE   2 -24.941  -4.957  -4.759
   10   HD13  ILE   2          HD13      ILE   2 -24.577  -3.232  -4.833

  No H/Q in entry =          10
  In of MODEL   30
    1    H    GLN   3           H        GLN   3 -20.132  -5.983  -3.195
    2    HA   GLN   3           HA       GLN   3 -18.757  -3.602  -2.501
    3    HB2  GLN   3           HB2      GLN   3 -16.725  -5.226  -1.703
    4    HB3  GLN   3           HB3      GLN   3 -17.717  -4.299  -0.580
    5    HG2  GLN   3           HG2      GLN   3 -18.550  -7.062  -1.337
    6    HG3  GLN   3           HG3      GLN   3 -17.227  -6.844  -0.196
    7   HE21  GLN   3          HE21      GLN   3 -19.875  -8.001   0.226
    8   HE22  GLN   3          HE22      GLN   3 -20.619  -7.052   1.470

  No H/Q in entry =           8
  In of MODEL   30
    1    H    ARG   4           H        ARG   4 -18.440  -3.535  -4.852
    2    HA   ARG   4           HA       ARG   4 -16.840  -5.117  -6.278
    3    HB2  ARG   4           HB2      ARG   4 -16.892  -3.432  -7.718
    4    HB3  ARG   4           HB3      ARG   4 -17.727  -2.510  -6.487
    5    HG2  ARG   4           HG2      ARG   4 -15.539  -1.613  -5.714
    6    HG3  ARG   4           HG3      ARG   4 -14.717  -2.484  -6.965
    7    HD2  ARG   4           HD2      ARG   4 -16.722  -0.212  -7.342
    8    HD3  ARG   4           HD3      ARG   4 -15.007  -0.248  -7.779
    9    HE   ARG   4           HE       ARG   4 -15.761  -2.127  -9.361
   10   HH11  ARG   4          HH11      ARG   4 -17.678   0.673  -8.493
   11   HH12  ARG   4          HH12      ARG   4 -18.580   0.684  -9.978
   12   HH21  ARG   4          HH21      ARG   4 -16.954  -2.144 -11.301
   13   HH22  ARG   4          HH22      ARG   4 -18.184  -0.940 -11.576

  No H/Q in entry =          13
  In of MODEL   30
    1    H    THR   5           H        THR   5 -14.390  -4.266  -6.954
    2    HA   THR   5           HA       THR   5 -13.092  -5.632  -4.721
    3    HB   THR   5           HB       THR   5 -11.611  -6.649  -6.389
    4    HG1  THR   5           HG1      THR   5 -11.767  -4.788  -7.863
    5   HG21  THR   5          HG21      THR   5 -14.570  -6.861  -6.875
    6   HG22  THR   5          HG22      THR   5 -13.413  -7.816  -7.805
    7   HG23  THR   5          HG23      THR   5 -13.491  -7.991  -6.058

  No H/Q in entry =           7
  In of MODEL   30
    1    HA   PRO   6           HA       PRO   6 -10.443  -2.019  -4.602
    2    HB2  PRO   6           HB2      PRO   6  -8.886  -3.210  -2.516
    3    HB3  PRO   6           HB3      PRO   6 -10.095  -1.929  -2.383
    4    HG2  PRO   6           HG2      PRO   6 -10.357  -4.541  -1.387
    5    HG3  PRO   6           HG3      PRO   6 -11.664  -3.350  -1.591
    6    HD2  PRO   6           HD2      PRO   6 -10.953  -5.703  -3.274
    7    HD3  PRO   6           HD3      PRO   6 -12.518  -4.886  -3.046

  No H/Q in entry =           7
  In of MODEL   30
    1    H    LYS   7           H        LYS   7  -8.770  -1.609  -5.808
    2    HA   LYS   7           HA       LYS   7  -7.093  -3.863  -6.649
    3    HB2  LYS   7           HB2      LYS   7  -8.394  -2.607  -8.383
    4    HB3  LYS   7           HB3      LYS   7  -7.480  -1.162  -7.978
    5    HG2  LYS   7           HG2      LYS   7  -5.450  -2.137  -8.779
    6    HG3  LYS   7           HG3      LYS   7  -6.228  -3.709  -8.981
    7    HD2  LYS   7           HD2      LYS   7  -6.901  -1.186 -10.498
    8    HD3  LYS   7           HD3      LYS   7  -5.994  -2.563 -11.125
    9    HE2  LYS   7           HE2      LYS   7  -7.960  -4.000 -10.746
   10    HE3  LYS   7           HE3      LYS   7  -8.860  -2.593 -10.187
   11    HZ1  LYS   7           HZ1      LYS   7  -8.557  -1.597 -12.381
   12    HZ2  LYS   7           HZ2      LYS   7  -7.730  -2.981 -12.907
   13    HZ3  LYS   7           HZ3      LYS   7  -9.369  -3.080 -12.482

  No H/Q in entry =          13
  In of MODEL   30
    1    H    ILE   8           H        ILE   8  -4.780  -3.361  -7.058
    2    HA   ILE   8           HA       ILE   8  -3.837  -1.994  -4.644
    3    HB   ILE   8           HB       ILE   8  -2.110  -3.777  -6.321
    4   HG12  ILE   8          HG12      ILE   8  -4.100  -5.105  -6.011
    5   HG13  ILE   8          HG13      ILE   8  -2.871  -5.695  -4.904
    6   HG21  ILE   8          HG21      ILE   8  -2.237  -3.154  -3.374
    7   HG22  ILE   8          HG22      ILE   8  -1.087  -4.255  -4.130
    8   HG23  ILE   8          HG23      ILE   8  -1.057  -2.536  -4.530
    9   HD11  ILE   8          HD11      ILE   8  -5.135  -3.859  -4.182
   10   HD12  ILE   8          HD12      ILE   8  -5.065  -5.593  -3.867
   11   HD13  ILE   8          HD13      ILE   8  -3.922  -4.506  -3.076

  No H/Q in entry =          11
  In of MODEL   30
    1    H    GLN   9           H        GLN   9  -2.797  -0.158  -4.775
    2    HA   GLN   9           HA       GLN   9  -1.118   0.352  -7.132
    3    HB2  GLN   9           HB2      GLN   9  -2.932   2.250  -5.655
    4    HB3  GLN   9           HB3      GLN   9  -1.630   2.815  -6.709
    5    HG2  GLN   9           HG2      GLN   9  -2.678   1.788  -8.611
    6    HG3  GLN   9           HG3      GLN   9  -3.899   1.036  -7.582
    7   HE21  GLN   9          HE21      GLN   9  -4.160   3.365  -5.888
    8   HE22  GLN   9          HE22      GLN   9  -5.065   4.538  -6.794

  No H/Q in entry =           8
  In of MODEL   30
    1    H    VAL  10           H        VAL  10   0.934   0.409  -6.511
    2    HA   VAL  10           HA       VAL  10   1.634   1.697  -3.987
    3    HB   VAL  10           HB       VAL  10   1.670  -0.550  -3.248
    4   HG11  VAL  10          HG11      VAL  10   1.462  -1.589  -5.466
    5   HG12  VAL  10          HG12      VAL  10   3.187  -1.332  -5.726
    6   HG13  VAL  10          HG13      VAL  10   2.639  -2.401  -4.432
    7   HG21  VAL  10          HG21      VAL  10   4.460   0.216  -4.095
    8   HG22  VAL  10          HG22      VAL  10   3.666   0.576  -2.560
    9   HG23  VAL  10          HG23      VAL  10   4.085  -1.088  -2.968

  No H/Q in entry =           9
  In of MODEL   30
    1    H    TYR  11           H        TYR  11   3.307   2.996  -4.137
    2    HA   TYR  11           HA       TYR  11   5.375   2.668  -6.109
    3    HB2  TYR  11           HB2      TYR  11   4.972   4.839  -7.235
    4    HB3  TYR  11           HB3      TYR  11   3.653   3.708  -7.508
    5    HD1  TYR  11           HD1      TYR  11   1.436   4.177  -6.702
    6    HD2  TYR  11           HD2      TYR  11   4.663   6.779  -5.736
    7    HE1  TYR  11           HE1      TYR  11  -0.167   5.867  -5.911
    8    HE2  TYR  11           HE2      TYR  11   3.069   8.472  -4.942
    9    HH   TYR  11           HH       TYR  11  -0.253   7.765  -4.447

  No H/Q in entry =           9
  In of MODEL   30
    1    H    SER  12           H        SER  12   6.932   4.596  -5.938
    2    HA   SER  12           HA       SER  12   7.259   5.237  -3.129
    3    HB2  SER  12           HB2      SER  12   9.208   4.526  -4.505
    4    HB3  SER  12           HB3      SER  12   9.005   5.975  -5.492
    5    HG   SER  12           HG       SER  12  10.267   5.708  -3.138

  No H/Q in entry =           5
  In of MODEL   30
    1    H    ARG  13           H        ARG  13   6.882   7.171  -2.233
    2    HA   ARG  13           HA       ARG  13   5.071   8.907  -3.571
    3    HB2  ARG  13           HB2      ARG  13   5.670   8.380  -0.979
    4    HB3  ARG  13           HB3      ARG  13   6.467   9.935  -1.166
    5    HG2  ARG  13           HG2      ARG  13   3.570   9.238  -1.266
    6    HG3  ARG  13           HG3      ARG  13   4.373  10.580  -0.454
    7    HD2  ARG  13           HD2      ARG  13   3.875  11.905  -2.183
    8    HD3  ARG  13           HD3      ARG  13   4.769  10.834  -3.251
    9    HE   ARG  13           HE       ARG  13   2.549   9.511  -3.230
   10   HH11  ARG  13          HH11      ARG  13   2.871  12.994  -3.176
   11   HH12  ARG  13          HH12      ARG  13   1.380  13.266  -4.032
   12   HH21  ARG  13          HH21      ARG  13   0.590   9.862  -4.369
   13   HH22  ARG  13          HH22      ARG  13   0.071  11.497  -4.681

  No H/Q in entry =          13
  In of MODEL   30
    1    H    HIS  14           H        HIS  14   8.428   9.346  -2.580
    2    HA   HIS  14           HA       HIS  14   8.682  11.454  -4.607
    3    HB2  HIS  14           HB2      HIS  14   9.724  11.326  -1.804
    4    HB3  HIS  14           HB3      HIS  14  10.721  12.126  -3.013
    5    HD2  HIS  14           HD2      HIS  14   7.486  13.150  -4.256
    6    HE1  HIS  14           HE1      HIS  14   8.171  15.780  -1.013
    7    HE2  HIS  14           HE2      HIS  14   6.970  15.476  -3.224

  No H/Q in entry =           7
  In of MODEL   30
    1    HA   PRO  15           HA       PRO  15  12.110   9.406  -6.617
    2    HB2  PRO  15           HB2      PRO  15  14.470  10.560  -5.557
    3    HB3  PRO  15           HB3      PRO  15  13.641  11.009  -7.060
    4    HG2  PRO  15           HG2      PRO  15  13.514  12.313  -4.359
    5    HG3  PRO  15           HG3      PRO  15  13.340  13.035  -5.990
    6    HD2  PRO  15           HD2      PRO  15  11.211  12.636  -4.372
    7    HD3  PRO  15           HD3      PRO  15  11.092  12.444  -6.148

  No H/Q in entry =           7
  In of MODEL   30
    1    H    ALA  16           H        ALA  16  12.726   7.407  -6.201
    2    HA   ALA  16           HA       ALA  16  13.164   6.539  -3.478
    3    HB1  ALA  16           HB1      ALA  16  11.743   5.215  -4.964
    4    HB2  ALA  16           HB2      ALA  16  13.111   4.966  -6.052
    5    HB3  ALA  16           HB3      ALA  16  13.143   4.287  -4.425

  No H/Q in entry =           5
  In of MODEL   30
    1    H    GLU  17           H        GLU  17  15.166   6.720  -2.638
    2    HA   GLU  17           HA       GLU  17  17.446   6.356  -4.447
    3    HB2  GLU  17           HB2      GLU  17  16.967   8.680  -3.499
    4    HB3  GLU  17           HB3      GLU  17  17.449   8.022  -1.938
    5    HG2  GLU  17           HG2      GLU  17  19.292   9.189  -3.007
    6    HG3  GLU  17           HG3      GLU  17  19.638   7.466  -2.848

  No H/Q in entry =           6
  In of MODEL   30
    1    H    ASN  18           H        ASN  18  18.751   4.719  -3.980
    2    HA   ASN  18           HA       ASN  18  18.330   3.132  -1.621
    3    HB2  ASN  18           HB2      ASN  18  18.816   1.796  -3.432
    4    HB3  ASN  18           HB3      ASN  18  20.042   2.894  -4.068
    5   HD21  ASN  18          HD21      ASN  18  21.613   1.381  -4.319
    6   HD22  ASN  18          HD22      ASN  18  22.378   0.557  -2.999

  No H/Q in entry =           6
  In of MODEL   30
    1    H    GLY  19           H        GLY  19  19.417   3.095   0.199
    2    HA2  GLY  19           HA2      GLY  19  22.010   4.382   0.488
    3    HA3  GLY  19           HA3      GLY  19  21.095   3.557   1.760

  No H/Q in entry =           3
  In of MODEL   30
    1    H    LYS  20           H        LYS  20  18.714   5.142   0.737
    2    HA   LYS  20           HA       LYS  20  19.227   7.597   2.244
    3    HB2  LYS  20           HB2      LYS  20  19.631   7.855  -0.262
    4    HB3  LYS  20           HB3      LYS  20  17.914   7.556  -0.466
    5    HG2  LYS  20           HG2      LYS  20  18.201   9.889  -0.526
    6    HG3  LYS  20           HG3      LYS  20  17.470   9.502   1.039
    7    HD2  LYS  20           HD2      LYS  20  19.689   9.655   2.093
    8    HD3  LYS  20           HD3      LYS  20  20.398  10.054   0.531
    9    HE2  LYS  20           HE2      LYS  20  18.244  11.692   1.870
   10    HE3  LYS  20           HE3      LYS  20  19.968  12.028   2.011
   11    HZ1  LYS  20           HZ1      LYS  20  18.513  11.908  -0.578
   12    HZ2  LYS  20           HZ2      LYS  20  18.817  13.339   0.277
   13    HZ3  LYS  20           HZ3      LYS  20  20.110  12.420  -0.316

  No H/Q in entry =          13
  In of MODEL   30
    1    H    SER  21           H        SER  21  17.409   8.401   3.247
    2    HA   SER  21           HA       SER  21  15.251   6.680   3.724
    3    HB2  SER  21           HB2      SER  21  14.338   8.647   4.949
    4    HB3  SER  21           HB3      SER  21  16.031   8.322   5.330
    5    HG   SER  21           HG       SER  21  15.405  10.130   3.273

  No H/Q in entry =           5
  In of MODEL   30
    1    H    ASN  22           H        ASN  22  13.207   6.649   2.966
    2    HA   ASN  22           HA       ASN  22  12.414   8.477   0.806
    3    HB2  ASN  22           HB2      ASN  22  13.671   6.344  -0.069
    4    HB3  ASN  22           HB3      ASN  22  12.264   5.467   0.496
    5   HD21  ASN  22          HD21      ASN  22  11.901   8.671  -0.900
    6   HD22  ASN  22          HD22      ASN  22  11.175   8.117  -2.372

  No H/Q in entry =           6
  In of MODEL   30
    1    H    PHE  23           H        PHE  23  10.010   7.800   0.132
    2    HA   PHE  23           HA       PHE  23   8.606   6.831   2.522
    3    HB2  PHE  23           HB2      PHE  23   7.869   9.170   0.749
    4    HB3  PHE  23           HB3      PHE  23   6.728   8.388   1.833
    5    HD1  PHE  23           HD1      PHE  23  10.108   9.982   1.923
    6    HD2  PHE  23           HD2      PHE  23   6.405   9.268   3.892
    7    HE1  PHE  23           HE1      PHE  23  10.790  11.486   3.746
    8    HE2  PHE  23           HE2      PHE  23   7.080  10.772   5.716
    9    HZ   PHE  23           HZ       PHE  23   9.277  11.873   5.648

  No H/Q in entry =           9
  In of MODEL   30
    1    H    LEU  24           H        LEU  24   7.253   5.207   2.110
    2    HA   LEU  24           HA       LEU  24   6.790   4.469  -0.711
    3    HB2  LEU  24           HB2      LEU  24   7.814   2.666   0.678
    4    HB3  LEU  24           HB3      LEU  24   6.546   2.908   1.863
    5    HG   LEU  24           HG       LEU  24   4.857   2.051   0.263
    6   HD11  LEU  24          HD11      LEU  24   7.246   1.506  -1.501
    7   HD12  LEU  24          HD12      LEU  24   5.610   0.905  -1.768
    8   HD13  LEU  24          HD13      LEU  24   5.933   2.635  -1.831
    9   HD21  LEU  24          HD21      LEU  24   5.940   0.567   1.879
   10   HD22  LEU  24          HD22      LEU  24   5.521  -0.276   0.388
   11   HD23  LEU  24          HD23      LEU  24   7.192   0.192   0.698

  No H/Q in entry =          11
  In of MODEL   30
    1    H    ASN  25           H        ASN  25   4.746   4.288  -1.503
    2    HA   ASN  25           HA       ASN  25   2.583   5.115   0.310
    3    HB2  ASN  25           HB2      ASN  25   3.168   7.052  -0.980
    4    HB3  ASN  25           HB3      ASN  25   3.183   6.122  -2.478
    5   HD21  ASN  25          HD21      ASN  25   1.295   7.853  -0.195
    6   HD22  ASN  25          HD22      ASN  25  -0.219   7.703  -1.018

  No H/Q in entry =           6
  In of MODEL   30
    1    H    CYS  26           H        CYS  26   0.862   3.865   0.291
    2    HA   CYS  26           HA       CYS  26   0.403   2.070  -1.993
    3    HB2  CYS  26           HB2      CYS  26   1.318   1.105   0.295
    4    HB3  CYS  26           HB3      CYS  26  -0.374   1.250   0.773

  No H/Q in entry =           4
  In of MODEL   30
    1    H    TYR  27           H        TYR  27  -1.511   2.408  -2.895
    2    HA   TYR  27           HA       TYR  27  -3.558   3.910  -1.376
    3    HB2  TYR  27           HB2      TYR  27  -2.308   4.411  -3.988
    4    HB3  TYR  27           HB3      TYR  27  -4.059   4.414  -4.047
    5    HD1  TYR  27           HD1      TYR  27  -1.220   6.392  -3.587
    6    HD2  TYR  27           HD2      TYR  27  -5.204   5.949  -2.152
    7    HE1  TYR  27           HE1      TYR  27  -1.240   8.749  -2.931
    8    HE2  TYR  27           HE2      TYR  27  -5.232   8.322  -1.511
    9    HH   TYR  27           HH       TYR  27  -3.568  10.090  -0.915

  No H/Q in entry =           9
  In of MODEL   30
    1    H    VAL  28           H        VAL  28  -4.985   2.274  -0.892
    2    HA   VAL  28           HA       VAL  28  -5.800   0.539  -3.121
    3    HB   VAL  28           HB       VAL  28  -6.657   0.027  -0.294
    4   HG11  VAL  28          HG11      VAL  28  -6.087  -1.686  -2.701
    5   HG12  VAL  28          HG12      VAL  28  -6.533  -2.315  -1.111
    6   HG13  VAL  28          HG13      VAL  28  -7.663  -1.303  -2.006
    7   HG21  VAL  28          HG21      VAL  28  -3.967  -0.704  -1.455
    8   HG22  VAL  28          HG22      VAL  28  -4.276   0.293  -0.028
    9   HG23  VAL  28          HG23      VAL  28  -4.659  -1.432   0.000

  No H/Q in entry =           9
  In of MODEL   30
    1    H    SER  29           H        SER  29  -7.586   1.187  -4.145
    2    HA   SER  29           HA       SER  29  -9.808   2.297  -2.624
    3    HB2  SER  29           HB2      SER  29  -9.991   4.156  -4.379
    4    HB3  SER  29           HB3      SER  29  -8.704   4.320  -3.183
    5    HG   SER  29           HG       SER  29  -7.240   3.538  -4.723

  No H/Q in entry =           5
  In of MODEL   30
    1    H    GLY  30           H        GLY  30 -11.740   2.667  -4.185
    2    HA2  GLY  30           HA2      GLY  30 -11.787   0.939  -6.501
    3    HA3  GLY  30           HA3      GLY  30 -13.155   1.821  -5.821

  No H/Q in entry =           3
  In of MODEL   30
    1    H    PHE  31           H        PHE  31 -14.606   0.578  -4.515
    2    HA   PHE  31           HA       PHE  31 -14.585  -1.889  -3.870
    3    HB2  PHE  31           HB2      PHE  31 -13.414  -2.435  -1.891
    4    HB3  PHE  31           HB3      PHE  31 -12.268  -1.764  -3.032
    5    HD1  PHE  31           HD1      PHE  31 -14.154  -0.977   0.071
    6    HD2  PHE  31           HD2      PHE  31 -10.898   0.017  -2.481
    7    HE1  PHE  31           HE1      PHE  31 -13.219   0.470   1.825
    8    HE2  PHE  31           HE2      PHE  31  -9.972   1.478  -0.738
    9    HZ   PHE  31           HZ       PHE  31 -11.120   1.693   1.426

  No H/Q in entry =           9
  In of MODEL   30
    1    H    HIS  32           H        HIS  32 -15.655  -2.454  -1.669
    2    HA   HIS  32           HA       HIS  32 -16.723  -0.189  -0.226
    3    HB2  HIS  32           HB2      HIS  32 -18.713  -2.262  -1.259
    4    HB3  HIS  32           HB3      HIS  32 -19.066  -0.812  -0.341
    5    HD2  HIS  32           HD2      HIS  32 -18.973   1.602  -1.809
    6    HE1  HIS  32           HE1      HIS  32 -19.084  -0.375  -5.550
    7    HE2  HIS  32           HE2      HIS  32 -19.534   1.807  -4.337

  No H/Q in entry =           7
  In of MODEL   30
    1    HA   PRO  33           HA       PRO  33 -18.524  -0.238   1.608
    2    HB2  PRO  33           HB2      PRO  33 -17.922  -0.616   4.429
    3    HB3  PRO  33           HB3      PRO  33 -19.484  -0.643   3.611
    4    HG2  PRO  33           HG2      PRO  33 -18.383  -2.860   4.676
    5    HG3  PRO  33           HG3      PRO  33 -19.384  -2.910   3.211
    6    HD2  PRO  33           HD2      PRO  33 -16.394  -2.925   3.460
    7    HD3  PRO  33           HD3      PRO  33 -17.442  -3.939   2.437

  No H/Q in entry =           7
  In of MODEL   30
    1    H    SER  34           H        SER  34 -17.826   1.299   3.895
    2    HA   SER  34           HA       SER  34 -15.563   2.759   2.968
    3    HB2  SER  34           HB2      SER  34 -15.899   4.124   5.059
    4    HB3  SER  34           HB3      SER  34 -17.373   3.912   4.097
    5    HG   SER  34           HG       SER  34 -16.638   2.431   6.416

  No H/Q in entry =           5
  In of MODEL   30
    1    H    ASP  35           H        ASP  35 -14.595   0.170   3.471
    2    HA   ASP  35           HA       ASP  35 -12.401   0.813   5.231
    3    HB2  ASP  35           HB2      ASP  35 -13.704   0.268   7.050
    4    HB3  ASP  35           HB3      ASP  35 -14.565  -1.011   6.200

  No H/Q in entry =           4
  In of MODEL   30
    1    H    ILE  36           H        ILE  36 -10.627  -0.248   4.830
    2    HA   ILE  36           HA       ILE  36 -10.662  -3.018   3.982
    3    HB   ILE  36           HB       ILE  36 -10.587  -1.571   1.840
    4   HG12  ILE  36          HG12      ILE  36  -8.682  -3.744   2.607
    5   HG13  ILE  36          HG13      ILE  36 -10.034  -3.807   1.489
    6   HG21  ILE  36          HG21      ILE  36  -7.798  -1.100   2.885
    7   HG22  ILE  36          HG22      ILE  36  -8.341  -0.727   1.249
    8   HG23  ILE  36          HG23      ILE  36  -9.035   0.132   2.624
    9   HD11  ILE  36          HD11      ILE  36  -8.719  -2.545  -0.153
   10   HD12  ILE  36          HD12      ILE  36  -7.367  -2.510   0.979
   11   HD13  ILE  36          HD13      ILE  36  -7.925  -4.046   0.322

  No H/Q in entry =          11
  In of MODEL   30
    1    H    GLU  37           H        GLU  37  -8.562  -4.083   4.299
    2    HA   GLU  37           HA       GLU  37  -6.766  -2.552   6.048
    3    HB2  GLU  37           HB2      GLU  37  -8.063  -4.571   7.000
    4    HB3  GLU  37           HB3      GLU  37  -7.031  -5.549   5.964
    5    HG2  GLU  37           HG2      GLU  37  -5.933  -5.617   8.010
    6    HG3  GLU  37           HG3      GLU  37  -5.078  -4.336   7.147

  No H/Q in entry =           6
  In of MODEL   30
    1    H    VAL  38           H        VAL  38  -4.752  -2.301   5.275
    2    HA   VAL  38           HA       VAL  38  -3.716  -4.238   3.365
    3    HB   VAL  38           HB       VAL  38  -3.994  -2.863   1.646
    4   HG11  VAL  38          HG11      VAL  38  -4.421  -0.614   3.584
    5   HG12  VAL  38          HG12      VAL  38  -4.671  -0.520   1.840
    6   HG13  VAL  38          HG13      VAL  38  -5.652  -1.614   2.816
    7   HG21  VAL  38          HG21      VAL  38  -1.889  -1.182   3.007
    8   HG22  VAL  38          HG22      VAL  38  -1.618  -2.489   1.862
    9   HG23  VAL  38          HG23      VAL  38  -2.392  -0.994   1.324

  No H/Q in entry =           9
  In of MODEL   30
    1    H    ASP  39           H        ASP  39  -1.632  -4.636   3.472
    2    HA   ASP  39           HA       ASP  39  -0.102  -3.249   5.569
    3    HB2  ASP  39           HB2      ASP  39   0.039  -5.077   6.851
    4    HB3  ASP  39           HB3      ASP  39  -1.138  -5.838   5.807

  No H/Q in entry =           4
  In of MODEL   30
    1    H    LEU  40           H        LEU  40   2.174  -3.343   5.361
    2    HA   LEU  40           HA       LEU  40   2.962  -3.559   2.545
    3    HB2  LEU  40           HB2      LEU  40   4.363  -2.058   4.747
    4    HB3  LEU  40           HB3      LEU  40   4.668  -1.939   3.020
    5    HG   LEU  40           HG       LEU  40   2.232  -0.944   4.498
    6   HD11  LEU  40          HD11      LEU  40   4.237   0.417   4.796
    7   HD12  LEU  40          HD12      LEU  40   4.433   0.515   3.047
    8   HD13  LEU  40          HD13      LEU  40   3.033   1.259   3.820
    9   HD21  LEU  40          HD21      LEU  40   2.851  -0.850   1.556
   10   HD22  LEU  40          HD22      LEU  40   1.538  -1.743   2.328
   11   HD23  LEU  40          HD23      LEU  40   1.538   0.024   2.355

  No H/Q in entry =          11
  In of MODEL   30
    1    H    LEU  41           H        LEU  41   4.704  -4.796   1.970
    2    HA   LEU  41           HA       LEU  41   5.783  -6.493   4.114
    3    HB2  LEU  41           HB2      LEU  41   5.710  -7.301   1.245
    4    HB3  LEU  41           HB3      LEU  41   5.903  -8.298   2.647
    5    HG   LEU  41           HG       LEU  41   3.332  -6.899   1.945
    6   HD11  LEU  41          HD11      LEU  41   3.972  -8.544   0.245
    7   HD12  LEU  41          HD12      LEU  41   4.157  -9.767   1.502
    8   HD13  LEU  41          HD13      LEU  41   2.568  -9.077   1.166
    9   HD21  LEU  41          HD21      LEU  41   3.625  -7.423   4.326
   10   HD22  LEU  41          HD22      LEU  41   2.361  -8.408   3.590
   11   HD23  LEU  41          HD23      LEU  41   3.950  -9.105   3.910

  No H/Q in entry =          11
  In of MODEL   30
    1    H    LYS  42           H        LYS  42   7.660  -7.713   3.283
    2    HA   LYS  42           HA       LYS  42   9.607  -6.241   1.742
    3    HB2  LYS  42           HB2      LYS  42  10.310  -7.114   4.537
    4    HB3  LYS  42           HB3      LYS  42  11.323  -6.219   3.419
    5    HG2  LYS  42           HG2      LYS  42   9.712  -4.300   3.531
    6    HG3  LYS  42           HG3      LYS  42   8.778  -5.225   4.688
    7    HD2  LYS  42           HD2      LYS  42  11.711  -4.595   5.198
    8    HD3  LYS  42           HD3      LYS  42  10.389  -3.524   5.704
    9    HE2  LYS  42           HE2      LYS  42   9.432  -5.305   7.047
   10    HE3  LYS  42           HE3      LYS  42  10.671  -6.423   6.485
   11    HZ1  LYS  42           HZ1      LYS  42  12.337  -4.923   7.515
   12    HZ2  LYS  42           HZ2      LYS  42  11.067  -4.016   8.183
   13    HZ3  LYS  42           HZ3      LYS  42  11.283  -5.636   8.633

  No H/Q in entry =          13
  In of MODEL   30
    1    H    ASN  43           H        ASN  43   9.875  -7.800   0.354
    2    HA   ASN  43           HA       ASN  43  10.457  -9.756  -0.619
    3    HB2  ASN  43           HB2      ASN  43  11.529 -10.539   2.110
    4    HB3  ASN  43           HB3      ASN  43  11.930 -11.333   0.591
    5   HD21  ASN  43          HD21      ASN  43  12.494  -8.651   2.659
    6   HD22  ASN  43          HD22      ASN  43  13.775  -7.908   1.753

  No H/Q in entry =           6
  In of MODEL   30
    1    H    GLY  44           H        GLY  44   8.525  -9.798   2.218
    2    HA2  GLY  44           HA2      GLY  44   7.626 -12.532   1.952
    3    HA3  GLY  44           HA3      GLY  44   6.464 -11.324   1.378

  No H/Q in entry =           3
  In of MODEL   30
    1    H    GLU  45           H        GLU  45   8.260  -9.947   3.801
    2    HA   GLU  45           HA       GLU  45   6.609 -11.010   5.973
    3    HB2  GLU  45           HB2      GLU  45   8.356 -10.395   7.454
    4    HB3  GLU  45           HB3      GLU  45   9.105 -11.127   6.046
    5    HG2  GLU  45           HG2      GLU  45   9.777  -9.020   5.189
    6    HG3  GLU  45           HG3      GLU  45   8.871  -8.165   6.436

  No H/Q in entry =           6
  In of MODEL   30
    1    H    ARG  46           H        ARG  46   5.554  -9.642   7.385
    2    HA   ARG  46           HA       ARG  46   4.542  -7.227   6.314
    3    HB2  ARG  46           HB2      ARG  46   3.195  -8.684   7.712
    4    HB3  ARG  46           HB3      ARG  46   4.303  -8.478   9.051
    5    HG2  ARG  46           HG2      ARG  46   3.546  -6.367   9.504
    6    HG3  ARG  46           HG3      ARG  46   2.885  -6.140   7.871
    7    HD2  ARG  46           HD2      ARG  46   1.816  -8.072   9.941
    8    HD3  ARG  46           HD3      ARG  46   1.031  -6.590   9.423
    9    HE   ARG  46           HE       ARG  46   1.381  -7.966   7.115
   10   HH11  ARG  46          HH11      ARG  46  -0.212  -8.600  10.166
   11   HH12  ARG  46          HH12      ARG  46  -1.374  -9.689   9.479
   12   HH21  ARG  46          HH21      ARG  46  -0.171  -9.358   6.199
   13   HH22  ARG  46          HH22      ARG  46  -1.357 -10.126   7.220

  No H/Q in entry =          13
  In of MODEL   30
    1    H    ILE  47           H        ILE  47   5.028  -5.160   6.697
    2    HA   ILE  47           HA       ILE  47   7.332  -4.455   8.328
    3    HB   ILE  47           HB       ILE  47   5.517  -2.722   6.630
    4   HG12  ILE  47          HG12      ILE  47   8.318  -3.655   6.024
    5   HG13  ILE  47          HG13      ILE  47   6.874  -4.391   5.335
    6   HG21  ILE  47          HG21      ILE  47   8.145  -2.098   7.976
    7   HG22  ILE  47          HG22      ILE  47   7.316  -1.036   6.836
    8   HG23  ILE  47          HG23      ILE  47   6.563  -1.429   8.385
    9   HD11  ILE  47          HD11      ILE  47   7.649  -1.500   4.998
   10   HD12  ILE  47          HD12      ILE  47   7.963  -2.768   3.816
   11   HD13  ILE  47          HD13      ILE  47   6.308  -2.334   4.218

  No H/Q in entry =          11
  In of MODEL   30
    1    H    GLU  48           H        GLU  48   7.184  -3.285  10.223
    2    HA   GLU  48           HA       GLU  48   4.494  -3.118  11.325
    3    HB2  GLU  48           HB2      GLU  48   5.837  -2.754  13.507
    4    HB3  GLU  48           HB3      GLU  48   5.746  -4.358  12.804
    5    HG2  GLU  48           HG2      GLU  48   8.055  -2.499  12.384
    6    HG3  GLU  48           HG3      GLU  48   7.980  -3.660  13.694

  No H/Q in entry =           6
  In of MODEL   30
    1    H    LYS  49           H        LYS  49   7.339  -1.020  10.791
    2    HA   LYS  49           HA       LYS  49   6.311   1.290  11.942
    3    HB2  LYS  49           HB2      LYS  49   8.194   0.984   9.611
    4    HB3  LYS  49           HB3      LYS  49   7.953   2.463  10.536
    5    HG2  LYS  49           HG2      LYS  49   8.602   0.101  12.121
    6    HG3  LYS  49           HG3      LYS  49   9.873   0.646  11.039
    7    HD2  LYS  49           HD2      LYS  49   9.768   2.858  12.019
    8    HD3  LYS  49           HD3      LYS  49   8.424   2.355  13.045
    9    HE2  LYS  49           HE2      LYS  49  10.484   2.340  14.315
   10    HE3  LYS  49           HE3      LYS  49   9.885   0.694  14.112
   11    HZ1  LYS  49           HZ1      LYS  49  11.470   0.403  12.287
   12    HZ2  LYS  49           HZ2      LYS  49  12.067   1.971  12.546
   13    HZ3  LYS  49           HZ3      LYS  49  12.251   0.783  13.745

  No H/Q in entry =          13
  In of MODEL   30
    1    H    VAL  50           H        VAL  50   4.713  -0.282   9.687
    2    HA   VAL  50           HA       VAL  50   4.027   1.767   7.831
    3    HB   VAL  50           HB       VAL  50   2.382  -0.628   8.655
    4   HG11  VAL  50          HG11      VAL  50   1.139   1.161   7.471
    5   HG12  VAL  50          HG12      VAL  50   2.287   1.032   6.133
    6   HG13  VAL  50          HG13      VAL  50   1.248  -0.335   6.533
    7   HG21  VAL  50          HG21      VAL  50   4.591  -1.285   7.872
    8   HG22  VAL  50          HG22      VAL  50   3.346  -1.736   6.711
    9   HG23  VAL  50          HG23      VAL  50   4.364  -0.330   6.407

  No H/Q in entry =           9
  In of MODEL   30
    1    H    GLU  51           H        GLU  51   2.581   3.371   7.981
    2    HA   GLU  51           HA       GLU  51   0.668   3.318  10.202
    3    HB2  GLU  51           HB2      GLU  51   2.150   5.781   9.263
    4    HB3  GLU  51           HB3      GLU  51   0.937   5.710  10.535
    5    HG2  GLU  51           HG2      GLU  51   2.419   4.283  11.854
    6    HG3  GLU  51           HG3      GLU  51   3.650   4.420  10.595

  No H/Q in entry =           6
  In of MODEL   30
    1    H    HIS  52           H        HIS  52  -1.292   4.110   9.756
    2    HA   HIS  52           HA       HIS  52  -1.805   4.973   6.996
    3    HB2  HIS  52           HB2      HIS  52  -4.177   4.248   7.392
    4    HB3  HIS  52           HB3      HIS  52  -3.002   2.944   7.363
    5    HD2  HIS  52           HD2      HIS  52  -2.300   2.055  10.088
    6    HE1  HIS  52           HE1      HIS  52  -6.117   3.191  11.498
    7    HE2  HIS  52           HE2      HIS  52  -4.133   1.659  11.866

  No H/Q in entry =           7
  In of MODEL   30
    1    H    SER  53           H        SER  53  -2.737   6.858   6.632
    2    HA   SER  53           HA       SER  53  -2.880   8.792   8.697
    3    HB2  SER  53           HB2      SER  53  -4.004   8.840   5.868
    4    HB3  SER  53           HB3      SER  53  -3.828  10.264   6.897
    5    HG   SER  53           HG       SER  53  -1.492   9.404   6.979

  No H/Q in entry =           5
  In of MODEL   30
    1    H    ASP  54           H        ASP  54  -4.950  10.188   8.874
    2    HA   ASP  54           HA       ASP  54  -6.888   8.810  10.283
    3    HB2  ASP  54           HB2      ASP  54  -6.513  11.204  10.491
    4    HB3  ASP  54           HB3      ASP  54  -7.070  11.464   8.841

  No H/Q in entry =           4
  In of MODEL   30
    1    H    LEU  55           H        LEU  55  -9.135   8.306   9.814
    2    HA   LEU  55           HA       LEU  55  -9.367   6.974   7.289
    3    HB2  LEU  55           HB2      LEU  55 -10.293   6.190   9.557
    4    HB3  LEU  55           HB3      LEU  55 -11.571   7.363   9.314
    5    HG   LEU  55           HG       LEU  55 -11.936   6.137   7.041
    6   HD11  LEU  55          HD11      LEU  55  -9.914   4.699   7.272
    7   HD12  LEU  55          HD12      LEU  55 -10.703   3.887   8.622
    8   HD13  LEU  55          HD13      LEU  55 -11.411   3.806   7.011
    9   HD21  LEU  55          HD21      LEU  55 -13.524   6.240   8.927
   10   HD22  LEU  55          HD22      LEU  55 -13.575   4.704   8.061
   11   HD23  LEU  55          HD23      LEU  55 -12.753   4.813   9.619

  No H/Q in entry =          11
  In of MODEL   30
    1    H    SER  56           H        SER  56  -9.897   8.243   5.454
    2    HA   SER  56           HA       SER  56 -11.280  10.700   5.656
    3    HB2  SER  56           HB2      SER  56 -10.917   8.960   3.211
    4    HB3  SER  56           HB3      SER  56 -11.166  10.707   3.252
    5    HG   SER  56           HG       SER  56  -9.129  10.724   4.528

  No H/Q in entry =           5
  In of MODEL   30
    1    H    PHE  57           H        PHE  57 -13.397  11.176   4.830
    2    HA   PHE  57           HA       PHE  57 -15.283   8.979   5.174
    3    HB2  PHE  57           HB2      PHE  57 -17.025  10.755   5.117
    4    HB3  PHE  57           HB3      PHE  57 -15.826  11.020   6.375
    5    HD1  PHE  57           HD1      PHE  57 -13.978  12.710   5.922
    6    HD2  PHE  57           HD2      PHE  57 -17.472  12.391   3.520
    7    HE1  PHE  57           HE1      PHE  57 -13.594  14.984   5.069
    8    HE2  PHE  57           HE2      PHE  57 -17.093  14.665   2.660
    9    HZ   PHE  57           HZ       PHE  57 -15.149  15.963   3.432

  No H/Q in entry =           9
  In of MODEL   30
    1    H    SER  58           H        SER  58 -17.103   8.790   3.603
    2    HA   SER  58           HA       SER  58 -16.230   8.397   0.986
    3    HB2  SER  58           HB2      SER  58 -19.053   8.840   1.992
    4    HB3  SER  58           HB3      SER  58 -18.625   8.136   0.432
    5    HG   SER  58           HG       SER  58 -18.051   7.088   3.013

  No H/Q in entry =           5
  In of MODEL   30
    1    H    LYS  59           H        LYS  59 -16.892   9.554  -1.013
    2    HA   LYS  59           HA       LYS  59 -17.175  12.420  -0.543
    3    HB2  LYS  59           HB2      LYS  59 -14.844  11.195  -2.023
    4    HB3  LYS  59           HB3      LYS  59 -15.252  12.903  -2.068
    5    HG2  LYS  59           HG2      LYS  59 -14.937  13.001   0.384
    6    HG3  LYS  59           HG3      LYS  59 -14.422  11.314   0.351
    7    HD2  LYS  59           HD2      LYS  59 -12.474  12.732   0.375
    8    HD3  LYS  59           HD3      LYS  59 -12.596  11.952  -1.202
    9    HE2  LYS  59           HE2      LYS  59 -11.998  14.284  -1.468
   10    HE3  LYS  59           HE3      LYS  59 -13.614  13.997  -2.114
   11    HZ1  LYS  59           HZ1      LYS  59 -13.052  15.107   0.584
   12    HZ2  LYS  59           HZ2      LYS  59 -13.450  16.042  -0.773
   13    HZ3  LYS  59           HZ3      LYS  59 -14.576  14.944  -0.143

  No H/Q in entry =          13
  In of MODEL   30
    1    H    ASP  60           H        ASP  60 -16.129  10.595  -3.428
    2    HA   ASP  60           HA       ASP  60 -18.624  11.395  -4.725
    3    HB2  ASP  60           HB2      ASP  60 -15.848  12.041  -5.739
    4    HB3  ASP  60           HB3      ASP  60 -17.291  12.112  -6.743

  No H/Q in entry =           4
  In of MODEL   30
    1    H    TRP  61           H        TRP  61 -15.504   9.962  -5.678
    2    HA   TRP  61           HA       TRP  61 -16.951   7.920  -7.143
    3    HB2  TRP  61           HB2      TRP  61 -14.974   9.092  -8.135
    4    HB3  TRP  61           HB3      TRP  61 -13.959   8.316  -6.924
    5    HD1  TRP  61           HD1      TRP  61 -16.444   7.194  -9.696
    6    HE1  TRP  61           HE1      TRP  61 -15.530   5.031 -10.761
    7    HE3  TRP  61           HE3      TRP  61 -12.280   6.563  -6.792
    8    HZ2  TRP  61           HZ2      TRP  61 -13.335   3.299 -10.414
    9    HZ3  TRP  61           HZ3      TRP  61 -10.818   4.637  -7.218
   10    HH2  TRP  61           HH2      TRP  61 -11.343   3.018  -9.015

  No H/Q in entry =          10
  In of MODEL   30
    1    H    SER  62           H        SER  62 -14.330   7.953  -4.727
    2    HA   SER  62           HA       SER  62 -15.440   5.563  -3.493
    3    HB2  SER  62           HB2      SER  62 -13.937   4.715  -5.308
    4    HB3  SER  62           HB3      SER  62 -12.613   5.657  -4.613
    5    HG   SER  62           HG       SER  62 -12.818   4.389  -2.705

  No H/Q in entry =           5
  In of MODEL   30
    1    H    PHE  63           H        PHE  63 -14.688   5.214  -1.401
    2    HA   PHE  63           HA       PHE  63 -13.521   7.398   0.007
    3    HB2  PHE  63           HB2      PHE  63 -14.811   6.199   1.469
    4    HB3  PHE  63           HB3      PHE  63 -14.536   4.681   0.629
    5    HD1  PHE  63           HD1      PHE  63 -13.057   7.059   3.055
    6    HD2  PHE  63           HD2      PHE  63 -12.944   3.138   1.400
    7    HE1  PHE  63           HE1      PHE  63 -11.532   6.341   4.855
    8    HE2  PHE  63           HE2      PHE  63 -11.422   2.418   3.194
    9    HZ   PHE  63           HZ       PHE  63 -10.716   4.021   4.923

  No H/Q in entry =           9
  In of MODEL   30
    1    H    TYR  64           H        TYR  64 -11.385   7.599   0.759
    2    HA   TYR  64           HA       TYR  64  -9.490   5.784  -0.576
    3    HB2  TYR  64           HB2      TYR  64  -8.893   8.575   0.426
    4    HB3  TYR  64           HB3      TYR  64  -7.921   7.600  -0.665
    5    HD1  TYR  64           HD1      TYR  64  -8.694   7.258  -3.024
    6    HD2  TYR  64           HD2      TYR  64 -10.656   9.937  -0.367
    7    HE1  TYR  64           HE1      TYR  64  -9.763   8.370  -4.944
    8    HE2  TYR  64           HE2      TYR  64 -11.735  11.052  -2.273
    9    HH   TYR  64           HH       TYR  64 -11.282  11.350  -4.725

  No H/Q in entry =           9
  In of MODEL   30
    1    H    LEU  65           H        LEU  65  -7.896   4.843   0.572
    2    HA   LEU  65           HA       LEU  65  -7.357   5.720   3.296
    3    HB2  LEU  65           HB2      LEU  65  -8.923   4.014   3.739
    4    HB3  LEU  65           HB3      LEU  65  -8.276   2.964   2.501
    5    HG   LEU  65           HG       LEU  65  -6.442   3.562   4.750
    6   HD11  LEU  65          HD11      LEU  65  -8.704   3.361   5.795
    7   HD12  LEU  65          HD12      LEU  65  -8.812   1.742   5.109
    8   HD13  LEU  65          HD13      LEU  65  -7.556   2.122   6.288
    9   HD21  LEU  65          HD21      LEU  65  -7.302   1.064   3.298
   10   HD22  LEU  65          HD22      LEU  65  -5.868   2.027   2.945
   11   HD23  LEU  65          HD23      LEU  65  -5.998   1.174   4.482

  No H/Q in entry =          11
  In of MODEL   30
    1    H    LEU  66           H        LEU  66  -5.265   5.697   3.792
    2    HA   LEU  66           HA       LEU  66  -3.455   4.739   1.674
    3    HB2  LEU  66           HB2      LEU  66  -3.948   7.302   2.268
    4    HB3  LEU  66           HB3      LEU  66  -2.699   6.994   3.426
    5    HG   LEU  66           HG       LEU  66  -2.383   6.635   0.461
    6   HD11  LEU  66          HD11      LEU  66  -2.666   8.981   1.093
    7   HD12  LEU  66          HD12      LEU  66  -1.380   8.812   2.288
    8   HD13  LEU  66          HD13      LEU  66  -1.012   8.652   0.573
    9   HD21  LEU  66          HD21      LEU  66  -0.911   5.166   1.729
   10   HD22  LEU  66          HD22      LEU  66   0.004   6.453   0.935
   11   HD23  LEU  66          HD23      LEU  66  -0.338   6.545   2.665

  No H/Q in entry =          11
  In of MODEL   30
    1    H    TYR  67           H        TYR  67  -1.831   3.455   2.273
    2    HA   TYR  67           HA       TYR  67  -1.037   3.362   5.108
    3    HB2  TYR  67           HB2      TYR  67  -1.695   1.149   3.245
    4    HB3  TYR  67           HB3      TYR  67  -0.317   0.914   4.311
    5    HD1  TYR  67           HD1      TYR  67  -3.964   1.084   4.113
    6    HD2  TYR  67           HD2      TYR  67  -0.622   0.847   6.743
    7    HE1  TYR  67           HE1      TYR  67  -5.427   0.291   5.905
    8    HE2  TYR  67           HE2      TYR  67  -2.096   0.066   8.553
    9    HH   TYR  67           HH       TYR  67  -5.154  -1.075   8.101

  No H/Q in entry =           9
  In of MODEL   30
    1    H    TYR  68           H        TYR  68   0.966   4.063   5.388
    2    HA   TYR  68           HA       TYR  68   2.924   3.588   3.252
    3    HB2  TYR  68           HB2      TYR  68   3.743   5.914   3.403
    4    HB3  TYR  68           HB3      TYR  68   2.070   5.852   2.844
    5    HD1  TYR  68           HD1      TYR  68   0.251   6.639   4.292
    6    HD2  TYR  68           HD2      TYR  68   4.317   6.918   5.516
    7    HE1  TYR  68           HE1      TYR  68  -0.391   8.241   6.045
    8    HE2  TYR  68           HE2      TYR  68   3.687   8.519   7.271
    9    HH   TYR  68           HH       TYR  68   1.957   9.998   7.899

  No H/Q in entry =           9
  In of MODEL   30
    1    H    THR  69           H        THR  69   5.150   3.995   3.933
    2    HA   THR  69           HA       THR  69   5.635   4.172   6.791
    3    HB   THR  69           HB       THR  69   5.283   1.730   6.355
    4    HG1  THR  69           HG1      THR  69   6.629   2.360   8.066
    5   HG21  THR  69          HG21      THR  69   7.678   2.116   4.565
    6   HG22  THR  69          HG22      THR  69   7.209   0.545   5.214
    7   HG23  THR  69          HG23      THR  69   6.109   1.423   4.149

  No H/Q in entry =           7
  In of MODEL   30
    1    H    GLU  70           H        GLU  70   7.745   4.757   7.299
    2    HA   GLU  70           HA       GLU  70   9.269   5.905   5.101
    3    HB2  GLU  70           HB2      GLU  70   8.808   7.199   7.209
    4    HB3  GLU  70           HB3      GLU  70   9.797   6.038   8.085
    5    HG2  GLU  70           HG2      GLU  70  11.699   6.673   6.580
    6    HG3  GLU  70           HG3      GLU  70  10.679   7.965   5.956

  No H/Q in entry =           6
  In of MODEL   30
    1    H    PHE  71           H        PHE  71  11.161   5.078   4.391
    2    HA   PHE  71           HA       PHE  71  12.348   2.811   5.744
    3    HB2  PHE  71           HB2      PHE  71  12.108   1.270   3.868
    4    HB3  PHE  71           HB3      PHE  71  10.527   1.767   4.446
    5    HD1  PHE  71           HD1      PHE  71  10.576   4.509   2.987
    6    HD2  PHE  71           HD2      PHE  71  11.395   0.528   1.756
    7    HE1  PHE  71           HE1      PHE  71   9.922   5.085   0.681
    8    HE2  PHE  71           HE2      PHE  71  10.735   1.082  -0.544
    9    HZ   PHE  71           HZ       PHE  71  10.010   3.377  -1.098

  No H/Q in entry =           9
  In of MODEL   30
    1    H    THR  72           H        THR  72  14.386   2.183   4.745
    2    HA   THR  72           HA       THR  72  15.488   4.289   3.023
    3    HB   THR  72           HB       THR  72  16.982   2.524   4.976
    4    HG1  THR  72           HG1      THR  72  15.488   4.625   5.461
    5   HG21  THR  72          HG21      THR  72  18.324   3.268   3.035
    6   HG22  THR  72          HG22      THR  72  17.908   4.942   3.413
    7   HG23  THR  72          HG23      THR  72  18.875   3.994   4.544

  No H/Q in entry =           7
  In of MODEL   30
    1    HA   PRO  73           HA       PRO  73  15.099   0.558   0.297
    2    HB2  PRO  73           HB2      PRO  73  15.879   2.185  -1.882
    3    HB3  PRO  73           HB3      PRO  73  14.228   1.722  -1.448
    4    HG2  PRO  73           HG2      PRO  73  15.723   4.226  -0.851
    5    HG3  PRO  73           HG3      PRO  73  13.992   4.011  -1.185
    6    HD2  PRO  73           HD2      PRO  73  14.871   4.458   1.300
    7    HD3  PRO  73           HD3      PRO  73  13.538   3.318   0.994

  No H/Q in entry =           7
  In of MODEL   30
    1    H    THR  74           H        THR  74  16.555  -0.761  -0.388
    2    HA   THR  74           HA       THR  74  19.362   0.058  -0.421
    3    HB   THR  74           HB       THR  74  19.950  -2.136   0.450
    4    HG1  THR  74           HG1      THR  74  17.838  -3.315   1.225
    5   HG21  THR  74          HG21      THR  74  19.310  -0.362   2.067
    6   HG22  THR  74          HG22      THR  74  17.677  -1.029   2.083
    7   HG23  THR  74          HG23      THR  74  19.025  -1.997   2.671

  No H/Q in entry =           7
  In of MODEL   30
    1    H    GLU  75           H        GLU  75  20.545  -2.063  -1.562
    2    HA   GLU  75           HA       GLU  75  19.495  -1.942  -4.277
    3    HB2  GLU  75           HB2      GLU  75  22.002  -1.811  -3.498
    4    HB3  GLU  75           HB3      GLU  75  21.893  -3.555  -3.497
    5    HG2  GLU  75           HG2      GLU  75  22.682  -3.143  -5.586
    6    HG3  GLU  75           HG3      GLU  75  20.954  -3.192  -5.868

  No H/Q in entry =           6
  In of MODEL   30
    1    H    LYS  76           H        LYS  76  19.895  -4.176  -1.611
    2    HA   LYS  76           HA       LYS  76  19.452  -6.523  -3.177
    3    HB2  LYS  76           HB2      LYS  76  19.929  -6.125  -0.232
    4    HB3  LYS  76           HB3      LYS  76  19.861  -7.685  -1.032
    5    HG2  LYS  76           HG2      LYS  76  21.978  -7.529  -1.733
    6    HG3  LYS  76           HG3      LYS  76  21.774  -5.853  -2.247
    7    HD2  LYS  76           HD2      LYS  76  22.023  -5.099   0.047
    8    HD3  LYS  76           HD3      LYS  76  22.167  -6.769   0.596
    9    HE2  LYS  76           HE2      LYS  76  24.224  -7.030  -0.665
   10    HE3  LYS  76           HE3      LYS  76  24.063  -5.397  -1.309
   11    HZ1  LYS  76           HZ1      LYS  76  24.333  -6.035   1.579
   12    HZ2  LYS  76           HZ2      LYS  76  25.628  -5.578   0.582
   13    HZ3  LYS  76           HZ3      LYS  76  24.351  -4.493   0.872

  No H/Q in entry =          13
  In of MODEL   30
    1    H    ASP  77           H        ASP  77  17.444  -4.501  -1.058
    2    HA   ASP  77           HA       ASP  77  15.834  -6.872  -0.384
    3    HB2  ASP  77           HB2      ASP  77  16.579  -4.917   1.286
    4    HB3  ASP  77           HB3      ASP  77  15.054  -4.227   0.721

  No H/Q in entry =           4
  In of MODEL   30
    1    H    GLU  78           H        GLU  78  13.301  -5.999  -0.064
    2    HA   GLU  78           HA       GLU  78  12.378  -4.646  -2.444
    3    HB2  GLU  78           HB2      GLU  78  13.227  -6.887  -3.191
    4    HB3  GLU  78           HB3      GLU  78  11.905  -7.603  -2.313
    5    HG2  GLU  78           HG2      GLU  78  11.120  -7.551  -4.467
    6    HG3  GLU  78           HG3      GLU  78  10.423  -6.075  -3.815

  No H/Q in entry =           6
  In of MODEL   30
    1    H    TYR  79           H        TYR  79  10.895  -3.641  -1.366
    2    HA   TYR  79           HA       TYR  79   9.147  -4.948   0.459
    3    HB2  TYR  79           HB2      TYR  79   8.705  -2.107  -0.410
    4    HB3  TYR  79           HB3      TYR  79   8.398  -2.857   1.161
    5    HD1  TYR  79           HD1      TYR  79  11.329  -2.097  -1.076
    6    HD2  TYR  79           HD2      TYR  79   9.800  -2.303   2.893
    7    HE1  TYR  79           HE1      TYR  79  13.441  -1.177  -0.223
    8    HE2  TYR  79           HE2      TYR  79  11.917  -1.375   3.756
    9    HH   TYR  79           HH       TYR  79  14.261   0.029   1.757

  No H/Q in entry =           9
  In of MODEL   30
    1    H    ALA  80           H        ALA  80   6.886  -4.871   0.451
    2    HA   ALA  80           HA       ALA  80   5.657  -4.874  -2.234
    3    HB1  ALA  80           HB1      ALA  80   6.461  -7.183  -1.523
    4    HB2  ALA  80           HB2      ALA  80   4.778  -7.037  -2.040
    5    HB3  ALA  80           HB3      ALA  80   5.164  -7.131  -0.328

  No H/Q in entry =           5
  In of MODEL   30
    1    H    CYS  81           H        CYS  81   3.230  -4.974  -2.176
    2    HA   CYS  81           HA       CYS  81   2.152  -3.839   0.329
    3    HB2  CYS  81           HB2      CYS  81   1.786  -3.118  -2.523
    4    HB3  CYS  81           HB3      CYS  81   0.312  -3.160  -1.560

  No H/Q in entry =           4
  In of MODEL   30
    1    H    ARG  82           H        ARG  82   0.545  -4.963   1.266
    2    HA   ARG  82           HA       ARG  82  -0.777  -7.139  -0.252
    3    HB2  ARG  82           HB2      ARG  82   0.761  -7.693   1.778
    4    HB3  ARG  82           HB3      ARG  82  -0.535  -6.995   2.739
    5    HG2  ARG  82           HG2      ARG  82  -2.096  -8.655   1.826
    6    HG3  ARG  82           HG3      ARG  82  -0.757  -9.396   0.943
    7    HD2  ARG  82           HD2      ARG  82  -0.752  -9.021   3.931
    8    HD3  ARG  82           HD3      ARG  82  -1.338 -10.485   3.158
    9    HE   ARG  82           HE       ARG  82   1.391  -9.584   2.621
   10   HH11  ARG  82          HH11      ARG  82  -0.823 -11.886   4.056
   11   HH12  ARG  82          HH12      ARG  82   0.407 -13.099   4.307
   12   HH21  ARG  82          HH21      ARG  82   3.009 -11.189   2.962
   13   HH22  ARG  82          HH22      ARG  82   2.567 -12.694   3.696

  No H/Q in entry =          13
  In of MODEL   30
    1    H    VAL  83           H        VAL  83  -3.017  -7.035  -0.330
    2    HA   VAL  83           HA       VAL  83  -4.311  -5.440   1.783
    3    HB   VAL  83           HB       VAL  83  -5.818  -4.361   0.424
    4   HG11  VAL  83          HG11      VAL  83  -3.629  -3.456   0.133
    5   HG12  VAL  83          HG12      VAL  83  -3.330  -4.549  -1.220
    6   HG13  VAL  83          HG13      VAL  83  -4.567  -3.300  -1.355
    7   HG21  VAL  83          HG21      VAL  83  -5.163  -6.269  -1.810
    8   HG22  VAL  83          HG22      VAL  83  -6.632  -6.264  -0.834
    9   HG23  VAL  83          HG23      VAL  83  -6.284  -4.914  -1.913

  No H/Q in entry =           9
  In of MODEL   30
    1    H    ASN  84           H        ASN  84  -6.045  -6.226   2.657
    2    HA   ASN  84           HA       ASN  84  -6.981  -8.861   1.752
    3    HB2  ASN  84           HB2      ASN  84  -7.119  -7.786   4.583
    4    HB3  ASN  84           HB3      ASN  84  -7.394  -9.438   4.055
    5   HD21  ASN  84          HD21      ASN  84  -4.908  -6.946   4.290
    6   HD22  ASN  84          HD22      ASN  84  -3.583  -8.031   4.528

  No H/Q in entry =           6
  In of MODEL   30
    1    H    HIS  85           H        HIS  85  -8.986  -8.658   0.838
    2    HA   HIS  85           HA       HIS  85 -10.956  -7.222   2.421
    3    HB2  HIS  85           HB2      HIS  85 -10.118  -5.893   0.344
    4    HB3  HIS  85           HB3      HIS  85 -10.998  -7.093  -0.580
    5    HD2  HIS  85           HD2      HIS  85 -11.815  -4.253   2.034
    6    HE1  HIS  85           HE1      HIS  85 -15.322  -5.408  -0.023
    7    HE2  HIS  85           HE2      HIS  85 -14.272  -3.658   1.467

  No H/Q in entry =           7
  In of MODEL   30
    1    H    VAL  86           H        VAL  86 -13.109  -8.019   2.027
    2    HA   VAL  86           HA       VAL  86 -13.188 -10.833   1.899
    3    HB   VAL  86           HB       VAL  86 -14.824  -9.430   3.156
    4   HG11  VAL  86          HG11      VAL  86 -15.951  -8.873   0.420
    5   HG12  VAL  86          HG12      VAL  86 -16.766  -8.514   1.944
    6   HG13  VAL  86          HG13      VAL  86 -15.255  -7.699   1.537
    7   HG21  VAL  86          HG21      VAL  86 -15.282 -11.782   2.719
    8   HG22  VAL  86          HG22      VAL  86 -16.770 -10.834   2.698
    9   HG23  VAL  86          HG23      VAL  86 -16.038 -11.358   1.182

  No H/Q in entry =           9
  In of MODEL   30
    1    H    THR  87           H        THR  87 -13.448  -8.365  -0.525
    2    HA   THR  87           HA       THR  87 -14.927  -9.743  -2.462
    3    HB   THR  87           HB       THR  87 -13.767  -8.166  -4.045
    4    HG1  THR  87           HG1      THR  87 -12.782  -6.718  -1.886
    5   HG21  THR  87          HG21      THR  87 -15.880  -7.618  -2.902
    6   HG22  THR  87          HG22      THR  87 -14.947  -6.918  -1.578
    7   HG23  THR  87          HG23      THR  87 -14.874  -6.196  -3.185

  No H/Q in entry =           7
  In of MODEL   30
    1    H    LEU  88           H        LEU  88 -11.462  -9.292  -2.047
    2    HA   LEU  88           HA       LEU  88 -10.668 -10.807  -4.275
    3    HB2  LEU  88           HB2      LEU  88  -9.138 -10.135  -1.752
    4    HB3  LEU  88           HB3      LEU  88  -8.419 -10.846  -3.183
    5    HG   LEU  88           HG       LEU  88  -9.610  -8.086  -2.915
    6   HD11  LEU  88          HD11      LEU  88  -7.341  -8.326  -2.029
    7   HD12  LEU  88          HD12      LEU  88  -6.806  -9.026  -3.566
    8   HD13  LEU  88          HD13      LEU  88  -7.351  -7.343  -3.502
    9   HD21  LEU  88          HD21      LEU  88  -8.647  -9.527  -5.380
   10   HD22  LEU  88          HD22      LEU  88 -10.272  -8.918  -5.065
   11   HD23  LEU  88          HD23      LEU  88  -8.936  -7.789  -5.289

  No H/Q in entry =          11
  In of MODEL   30
    1    H    SER  89           H        SER  89 -11.426 -11.575  -0.991
    2    HA   SER  89           HA       SER  89 -11.776 -13.450   0.188
    3    HB2  SER  89           HB2      SER  89 -12.536 -15.441  -0.897
    4    HB3  SER  89           HB3      SER  89 -13.119 -14.082  -1.849
    5    HG   SER  89           HG       SER  89 -10.974 -14.515  -3.041

  No H/Q in entry =           5
  In of MODEL   30
    1    H    GLN  90           H        GLN  90  -9.085 -13.041  -1.708
    2    HA   GLN  90           HA       GLN  90  -7.407 -14.634   0.022
    3    HB2  GLN  90           HB2      GLN  90  -6.982 -14.727  -2.965
    4    HB3  GLN  90           HB3      GLN  90  -6.291 -15.773  -1.737
    5    HG2  GLN  90           HG2      GLN  90  -8.286 -16.991  -1.493
    6    HG3  GLN  90           HG3      GLN  90  -9.227 -15.778  -2.370
    7   HE21  GLN  90          HE21      GLN  90 -10.021 -17.368  -3.757
    8   HE22  GLN  90          HE22      GLN  90  -9.043 -18.031  -5.023

  No H/Q in entry =           8
  In of MODEL   30
    1    HA   PRO  91           HA       PRO  91  -5.975 -10.358  -0.087
    2    HB2  PRO  91           HB2      PRO  91  -3.473 -11.696   0.862
    3    HB3  PRO  91           HB3      PRO  91  -4.283 -10.236   1.467
    4    HG2  PRO  91           HG2      PRO  91  -4.550 -12.508   2.782
    5    HG3  PRO  91           HG3      PRO  91  -5.963 -11.452   2.527
    6    HD2  PRO  91           HD2      PRO  91  -5.218 -14.014   1.131
    7    HD3  PRO  91           HD3      PRO  91  -6.835 -13.418   1.615

  No H/Q in entry =           7
  In of MODEL   30
    1    H    LYS  92           H        LYS  92  -4.417  -9.046  -1.104
    2    HA   LYS  92           HA       LYS  92  -3.292 -10.349  -3.487
    3    HB2  LYS  92           HB2      LYS  92  -5.261  -8.865  -3.921
    4    HB3  LYS  92           HB3      LYS  92  -4.325  -7.521  -3.284
    5    HG2  LYS  92           HG2      LYS  92  -4.213  -7.493  -5.682
    6    HG3  LYS  92           HG3      LYS  92  -2.626  -7.926  -5.024
    7    HD2  LYS  92           HD2      LYS  92  -2.990  -9.424  -6.797
    8    HD3  LYS  92           HD3      LYS  92  -3.321 -10.331  -5.318
    9    HE2  LYS  92           HE2      LYS  92  -5.731  -9.910  -5.641
   10    HE3  LYS  92           HE3      LYS  92  -5.363  -9.094  -7.160
   11    HZ1  LYS  92           HZ1      LYS  92  -4.365 -11.178  -7.958
   12    HZ2  LYS  92           HZ2      LYS  92  -4.834 -11.946  -6.519
   13    HZ3  LYS  92           HZ3      LYS  92  -6.010 -11.354  -7.586

  No H/Q in entry =          13
  In of MODEL   30
    1    H    ILE  93           H        ILE  93  -1.175 -10.095  -3.784
    2    HA   ILE  93           HA       ILE  93   0.159  -7.929  -2.298
    3    HB   ILE  93           HB       ILE  93   1.302 -10.592  -3.130
    4   HG12  ILE  93          HG12      ILE  93   1.831 -10.665  -0.608
    5   HG13  ILE  93          HG13      ILE  93   0.653  -9.370  -0.455
    6   HG21  ILE  93          HG21      ILE  93   2.945  -8.844  -3.495
    7   HG22  ILE  93          HG22      ILE  93   2.707  -8.264  -1.844
    8   HG23  ILE  93          HG23      ILE  93   3.403  -9.859  -2.126
    9   HD11  ILE  93          HD11      ILE  93   0.100 -12.091  -1.608
   10   HD12  ILE  93          HD12      ILE  93  -0.279 -11.576   0.036
   11   HD13  ILE  93          HD13      ILE  93  -1.074 -10.805  -1.334

  No H/Q in entry =          11
  In of MODEL   30
    1    H    VAL  94           H        VAL  94   1.173  -6.462  -3.423
    2    HA   VAL  94           HA       VAL  94   2.109  -7.104  -6.127
    3    HB   VAL  94           HB       VAL  94   0.872  -4.479  -5.255
    4   HG11  VAL  94          HG11      VAL  94   2.785  -4.086  -6.720
    5   HG12  VAL  94          HG12      VAL  94   2.130  -5.227  -7.896
    6   HG13  VAL  94          HG13      VAL  94   1.271  -3.724  -7.552
    7   HG21  VAL  94          HG21      VAL  94  -0.003  -6.507  -7.308
    8   HG22  VAL  94          HG22      VAL  94  -0.776  -6.194  -5.754
    9   HG23  VAL  94          HG23      VAL  94  -0.779  -4.952  -7.006

  No H/Q in entry =           9
  In of MODEL   30
    1    H    LYS  95           H        LYS  95   4.170  -6.638  -6.443
    2    HA   LYS  95           HA       LYS  95   5.687  -5.842  -4.101
    3    HB2  LYS  95           HB2      LYS  95   7.367  -7.085  -4.935
    4    HB3  LYS  95           HB3      LYS  95   6.147  -7.710  -6.030
    5    HG2  LYS  95           HG2      LYS  95   6.880  -6.299  -7.787
    6    HG3  LYS  95           HG3      LYS  95   7.890  -5.355  -6.686
    7    HD2  LYS  95           HD2      LYS  95   8.990  -7.670  -6.206
    8    HD3  LYS  95           HD3      LYS  95   8.307  -8.097  -7.766
    9    HE2  LYS  95           HE2      LYS  95  10.729  -7.078  -7.528
   10    HE3  LYS  95           HE3      LYS  95   9.700  -6.716  -8.917
   11    HZ1  LYS  95           HZ1      LYS  95   8.988  -4.689  -7.637
   12    HZ2  LYS  95           HZ2      LYS  95  10.237  -5.019  -6.538
   13    HZ3  LYS  95           HZ3      LYS  95  10.598  -4.687  -8.153

  No H/Q in entry =          13
  In of MODEL   30
    1    H    TRP  96           H        TRP  96   7.163  -4.089  -4.024
    2    HA   TRP  96           HA       TRP  96   6.253  -1.797  -5.511
    3    HB2  TRP  96           HB2      TRP  96   6.862  -1.576  -3.121
    4    HB3  TRP  96           HB3      TRP  96   8.500  -2.118  -3.472
    5    HD1  TRP  96           HD1      TRP  96   6.174   0.766  -4.639
    6    HE1  TRP  96           HE1      TRP  96   7.609   2.872  -4.889
    7    HE3  TRP  96           HE3      TRP  96  10.729  -1.220  -3.439
    8    HZ2  TRP  96           HZ2      TRP  96  10.323   3.612  -4.603
    9    HZ3  TRP  96           HZ3      TRP  96  12.702   0.249  -3.454
   10    HH2  TRP  96           HH2      TRP  96  12.496   2.632  -4.031

  No H/Q in entry =          10
  In of MODEL   30
    1    H    ASP  97           H        ASP  97   7.169  -1.030  -7.341
    2    HA   ASP  97           HA       ASP  97   9.865  -2.015  -7.976
    3    HB2  ASP  97           HB2      ASP  97   9.335  -2.185 -10.267
    4    HB3  ASP  97           HB3      ASP  97   7.983  -2.928  -9.421

  No H/Q in entry =           4
  In of MODEL   30
    1    H    ARG  98           H        ARG  98  11.358  -0.622  -8.471
    2    HA   ARG  98           HA       ARG  98  10.586   2.180  -8.835
    3    HB2  ARG  98           HB2      ARG  98  12.787   2.779  -8.115
    4    HB3  ARG  98           HB3      ARG  98  12.165   1.614  -6.976
    5    HG2  ARG  98           HG2      ARG  98  14.145   0.625  -7.184
    6    HG3  ARG  98           HG3      ARG  98  13.514   0.010  -8.712
    7    HD2  ARG  98           HD2      ARG  98  15.727   1.004  -9.010
    8    HD3  ARG  98           HD3      ARG  98  14.497   1.911  -9.894
    9    HE   ARG  98           HE       ARG  98  14.629   3.293  -7.619
   10   HH11  ARG  98          HH11      ARG  98  17.168   2.070  -9.694
   11   HH12  ARG  98          HH12      ARG  98  18.281   3.345  -9.296
   12   HH21  ARG  98          HH21      ARG  98  16.099   4.986  -7.090
   13   HH22  ARG  98          HH22      ARG  98  17.671   5.000  -7.835

  No H/Q in entry =          13
  In of MODEL   30
    1    H    ASP  99           H        ASP  99  12.339  -0.505 -10.161
    2    HA   ASP  99           HA       ASP  99  12.040   0.648 -12.821
    3    HB2  ASP  99           HB2      ASP  99  14.310   1.279 -12.199
    4    HB3  ASP  99           HB3      ASP  99  14.665  -0.375 -11.707

  No H/Q in entry =           4
  In of MODEL   30
    1    H    MET 100           H        MET 100  11.941  -1.926 -10.678
    2    HA   MET 100           HA       MET 100  12.404  -4.069 -12.534
    3    HB2  MET 100           HB2      MET 100  11.110  -4.273  -9.809
    4    HB3  MET 100           HB3      MET 100  11.952  -5.535 -10.700
    5    HG2  MET 100           HG2      MET 100  13.196  -3.071  -9.504
    6    HG3  MET 100           HG3      MET 100  13.306  -4.713  -8.870
    7    HE1  MET 100           HE1      MET 100  14.639  -6.668 -10.028
    8    HE2  MET 100           HE2      MET 100  13.687  -6.449 -11.497
    9    HE3  MET 100           HE3      MET 100  15.448  -6.518 -11.588

  No H/Q in entry =           9