*HEADER    LIPID BINDING PROTEIN                   03-OCT-07   2JW2              
*TITLE     VALIDATION OF INTER-HELICAL ORIENTATION OF THE STERIL-ALPHA-          
*TITLE    2 MOTIF OF HUMAN DELETED IN LIVER CANCER 2 BY RESIDUAL                 
*TITLE    3 DIPOLAR COUPLINGS                                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: STAR-RELATED LIPID TRANSFER PROTEIN 13;                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: DLC2-SAM;                                                  
*COMPND   5 SYNONYM: STARD13, START DOMAIN-CONTAINING PROTEIN 13,                
*COMPND   6 46H23.2, DELETED IN LIVER CANCER PROTEIN 2, RHO GTPASE-              
*COMPND   7 ACTIVATING PROTEIN;                                                  
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 GENE: DLC2;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR: PET-32M                                    
*KEYWDS    DLC2-SAM, RDC REFINEMENT, ALTERNATIVE SPLICING, ANTI-                 
*KEYWDS   2 ONCOGENE, CELL CYCLE, CYTOPLASM, GTPASE ACTIVATION,                  
*KEYWDS   3 POLYMORPHISM, LIPID BINDING PROTEIN                                  
*EXPDTA    NMR, 16 STRUCTURES                                                    
*AUTHOR    H.LI, K.SZE, K.FUNG                                                   
*REVDAT   1   21-OCT-08 2JW2    0                                                


 assi 
   (( resid 74   and name  HB1 ))
   (  resid 74   and name  HD2#)
      2.780     0.980     0.980
 assi 
   (  resid 24   and name  HB# )
   (  resid 74   and name  HD2#)
      2.715     0.915     0.915
 assi 
   (( resid 74   and name  HB2 ))
   (  resid 74   and name  HD2#)
      2.780     0.980     0.980
 assi 
   (( resid 74   and name  HA  ))
   (  resid 74   and name  HD2#)
      3.175     1.375     1.375
 assi 
   (  resid 40   and name  HD# )
   (  resid 74   and name  HD2#)
      3.180     1.380     1.380
 assi 
   (( resid 74   and name  HN  ))
   (  resid 74   and name  HD2#)
      2.930     1.130     1.130
 assi 
   (  resid 45   and name  HE# )
   (  resid 74   and name  HD2#)
      3.440     1.640     1.640
 assi 
   (( resid 67   and name  HB1 ))
   (  resid 67   and name  HD1#)
      2.840     1.040     1.040
 assi 
   (( resid 67   and name  HB2 ))
   (  resid 67   and name  HD1#)
      2.840     1.040     1.040
 assi 
   (( resid 64   and name  HA  ))
   (  resid 67   and name  HD1#)
      3.465     1.665     1.665
 assi 
   (( resid 67   and name  HA  ))
   (  resid 67   and name  HD1#)
      2.965     1.165     1.165
 assi 
   (  resid 36   and name  HE# )
   (  resid 67   and name  HD1#)
      3.010     1.210     1.210
 assi 
   (( resid 45   and name  HA  ))
   (  resid 47   and name  HG2#)
      3.120     1.320     1.320
 assi 
   (( resid 47   and name  HA  ))
   (  resid 47   and name  HG2#)
      2.640     0.840     0.840
 assi 
   (( resid 47   and name  HN  ))
   (  resid 47   and name  HG2#)
      2.690     0.890     0.890
 assi 
   (( resid 67   and name  HB1 ))
   (  resid 67   and name  HD2#)
      2.840     1.040     1.040
 assi 
   (( resid 67   and name  HB2 ))
   (  resid 67   and name  HD2#)
      2.840     1.040     1.040
 assi 
   (( resid 64   and name  HA  ))
   (  resid 67   and name  HD2#)
      3.465     1.665     1.665
 assi 
   (( resid 67   and name  HA  ))
   (  resid 67   and name  HD2#)
      2.965     1.165     1.165
 assi 
   (  resid 36   and name  HE# )
   (  resid 67   and name  HD2#)
      3.010     1.210     1.210
 assi 
   (  resid 47   and name  HG2#)
   (  resid 47   and name  HD1#)
      2.430     0.630     0.630
 assi 
   (  resid 36   and name  HE# )
   (  resid 47   and name  HD1#)
      3.050     1.250     1.250
 assi 
   (  resid 36   and name  HD# )
   (  resid 47   and name  HD1#)
      3.110     1.310     1.310
 assi 
   (( resid 47   and name  HA  ))
   (  resid 47   and name  HD1#)
      3.080     1.280     1.280
 assi 
   (  resid 30   and name  HB# )
   (  resid 31   and name  HB# )
      3.150     1.350     1.350
 assi 
   (( resid 27   and name  HB1 ))
   (  resid 31   and name  HB# )
      3.495     1.695     1.695
 assi 
   (  resid 31   and name  HB# )
   (( resid 32   and name  HN  ))
      2.455     0.655     0.655
 assi 
   (( resid 31   and name  HN  ))
   (  resid 31   and name  HB# )
      2.435     0.635     0.635
 assi 
   (  resid 31   and name  HB# )
   (( resid 33   and name  HN  ))
      3.100     1.300     1.300
 assi 
   (( resid 74   and name  HB1 ))
   (  resid 74   and name  HD1#)
      2.780     0.980     0.980
 assi 
   (( resid 74   and name  HB2 ))
   (  resid 74   and name  HD1#)
      2.780     0.980     0.980
 assi 
   (  resid 40   and name  HD# )
   (  resid 74   and name  HD1#)
      3.180     1.380     1.380
 assi 
   (  resid 45   and name  HE# )
   (  resid 74   and name  HD1#)
      3.440     1.640     1.640
 assi 
   (( resid 74   and name  HN  ))
   (  resid 74   and name  HD1#)
      2.930     1.130     1.130
 assi 
   (( resid 11   and name  HB2 ))
   (( resid 12   and name  HN  ))
      3.340     1.540     1.540
 assi 
   (( resid 11   and name  HB1 ))
   (( resid 12   and name  HN  ))
      3.340     1.540     1.540
 assi 
   (( resid 11   and name  HN  ))
   (( resid 11   and name  HG  ))
      3.420     1.620     1.620
 assi 
   (( resid 12   and name  HA  ))
   (( resid 13   and name  HD2 ))
      2.475     0.675     0.675
 assi 
   (( resid 12   and name  HA  ))
   (( resid 13   and name  HD1 ))
      2.475     0.675     0.675
 assi 
   (( resid 61   and name  HA  ))
   (( resid 64   and name  HB  ))
      3.115     1.315     1.315
 assi 
   (( resid 12   and name  HA  ))
   (  resid 12   and name  HG2#)
      2.665     0.865     0.865
 assi 
   (( resid 60   and name  HA  ))
   (( resid 61   and name  HN  ))
      2.495     0.695     0.695
 assi 
   (( resid 14   and name  HA  ))
   (  resid 15   and name  HA# )
      3.180     1.380     1.380
 assi 
   (( resid 60   and name  HA  ))
   (( resid 61   and name  HA  ))
      3.425     1.625     1.625
 assi 
   (( resid 14   and name  HB1 ))
   (  resid 14   and name  HD# )
      2.950     1.150     1.150
 assi 
   (( resid 14   and name  HA  ))
   (  resid 14   and name  HD# )
      2.770     0.970     0.970
 assi 
   (( resid 14   and name  HB2 ))
   (  resid 14   and name  HD# )
      2.950     1.150     1.150
 assi 
   (  resid 29   and name  HB# )
   (  resid 29   and name  HD# )
      2.905     1.105     1.105
 assi 
   (( resid 16   and name  HB2 ))
   (  resid 19   and name  HG2#)
      3.485     1.685     1.685
 assi 
   (( resid 16   and name  HB1 ))
   (  resid 19   and name  HG2#)
      3.485     1.685     1.685
 assi 
   (( resid 16   and name  HB1 ))
   (( resid 19   and name  HB  ))
      3.340     1.540     1.540
 assi 
   (( resid 35   and name  HA  ))
   (( resid 36   and name  HA  ))
      3.395     1.595     1.595
 assi 
   (( resid 34   and name  HD2 ))
   (( resid 35   and name  HA  ))
      3.570     1.770     1.770
 assi 
   (( resid 17   and name  HA  ))
   (( resid 20   and name  HN  ))
      2.980     1.180     1.180
 assi 
   (( resid 17   and name  HA  ))
   (( resid 17   and name  HG1 ))
      2.950     1.150     1.150
 assi 
   (( resid 17   and name  HA  ))
   (( resid 17   and name  HG2 ))
      2.950     1.150     1.150
 assi 
   (( resid 18   and name  HA  ))
   (  resid 21   and name  HB# )
      2.725     0.925     0.925
 assi 
   (( resid 18   and name  HA  ))
   (( resid 20   and name  HN  ))
      3.040     1.240     1.240
 assi 
   (( resid 19   and name  HA  ))
   (( resid 19   and name  HG11))
      2.860     1.060     1.060
 assi 
   (( resid 19   and name  HA  ))
   (( resid 19   and name  HG12))
      2.860     1.060     1.060
 assi 
   (( resid 19   and name  HA  ))
   (  resid 22   and name  HB# )
      2.660     0.860     0.860
 assi 
   (( resid 19   and name  HA  ))
   (( resid 22   and name  HN  ))
      2.760     0.960     0.960
 assi 
   (( resid 16   and name  HB2 ))
   (( resid 19   and name  HB  ))
      3.340     1.540     1.540
 assi 
   (( resid 16   and name  HA  ))
   (( resid 19   and name  HB  ))
      3.115     1.315     1.315
 assi 
   (( resid 19   and name  HB  ))
   (( resid 20   and name  HN  ))
      2.830     1.030     1.030
 assi 
   (( resid 19   and name  HB  ))
   (  resid 19   and name  HD1#)
      2.515     0.715     0.715
 assi 
   (( resid 19   and name  HA  ))
   (  resid 19   and name  HD1#)
      2.935     1.135     1.135
 assi 
   (( resid 16   and name  HA  ))
   (  resid 19   and name  HD1#)
      2.790     0.990     0.990
 assi 
   (  resid 19   and name  HD1#)
   (( resid 20   and name  HN  ))
      3.215     1.415     1.415
 assi 
   (  resid 19   and name  HG2#)
   (( resid 19   and name  HG11))
      2.670     0.870     0.870
 assi 
   (  resid 19   and name  HG2#)
   (( resid 19   and name  HG12))
      2.670     0.870     0.870
 assi 
   (( resid 19   and name  HA  ))
   (  resid 19   and name  HG2#)
      2.550     0.750     0.750
 assi 
   (  resid 19   and name  HG2#)
   (( resid 20   and name  HA  ))
      2.860     1.060     1.060
 assi 
   (( resid 19   and name  HN  ))
   (  resid 19   and name  HG2#)
      2.855     1.055     1.055
 assi 
   (  resid 19   and name  HG2#)
   (( resid 20   and name  HN  ))
      2.845     1.045     1.045
 assi 
   (( resid 23   and name  HN  ))
   (( resid 23   and name  HG1 ))
      2.860     1.060     1.060
 assi 
   (( resid 21   and name  HA  ))
   (  resid 73   and name  HG2#)
      3.190     1.390     1.390
 assi 
   (( resid 21   and name  HA  ))
   (( resid 74   and name  HN  ))
      3.595     1.795     1.795
 assi 
   (  resid 18   and name  HB# )
   (  resid 21   and name  HB# )
      3.360     1.560     1.560
 assi 
   (( resid 50   and name  HB  ))
   (  resid 51   and name  HB# )
      3.565     1.765     1.765
 assi 
   (  resid 21   and name  HB# )
   (  resid 40   and name  HD# )
      3.405     1.605     1.605
 assi 
   (  resid 21   and name  HB# )
   (  resid 40   and name  HE# )
      2.855     1.055     1.055
 assi 
   (( resid 51   and name  HN  ))
   (  resid 51   and name  HB# )
      2.460     0.660     0.660
 assi 
   (  resid 51   and name  HB# )
   (( resid 52   and name  HN  ))
      2.740     0.940     0.940
 assi 
   (  resid 21   and name  HB# )
   (( resid 22   and name  HN  ))
      2.585     0.785     0.785
 assi 
   (( resid 21   and name  HN  ))
   (  resid 21   and name  HB# )
      2.410     0.610     0.610
 assi 
   (( resid 48   and name  HD21))
   (  resid 51   and name  HB# )
      3.130     1.330     1.330
 assi 
   (  resid 21   and name  HB# )
   (( resid 25   and name  HN  ))
      3.260     1.460     1.460
 assi 
   (( resid 23   and name  HA  ))
   (( resid 23   and name  HG2 ))
      2.925     1.125     1.125
 assi 
   (( resid 24   and name  HA  ))
   (( resid 27   and name  HB2 ))
      3.150     1.350     1.350
 assi 
   (( resid 24   and name  HA  ))
   (( resid 27   and name  HB1 ))
      3.100     1.300     1.300
 assi 
   (( resid 24   and name  HA  ))
   (( resid 70   and name  HD1 ))
      3.165     1.365     1.365
 assi 
   (( resid 24   and name  HA  ))
   (( resid 70   and name  HG2 ))
      2.905     1.105     1.105
 assi 
   (( resid 24   and name  HA  ))
   (( resid 70   and name  HN  ))
      3.635     1.835     1.835
 assi 
   (( resid 23   and name  HN  ))
   (( resid 24   and name  HA  ))
      3.425     1.625     1.625
 assi 
   (  resid 24   and name  HB# )
   (  resid 74   and name  HD1#)
      2.715     0.915     0.915
 assi 
   (  resid 24   and name  HB# )
   (( resid 70   and name  HD2 ))
      3.270     1.470     1.470
 assi 
   (( resid 21   and name  HA  ))
   (  resid 24   and name  HB# )
      2.685     0.885     0.885
 assi 
   (  resid 24   and name  HB# )
   (( resid 70   and name  HA  ))
      2.650     0.850     0.850
 assi 
   (( resid 24   and name  HN  ))
   (  resid 24   and name  HB# )
      2.465     0.665     0.665
 assi 
   (  resid 24   and name  HB# )
   (( resid 25   and name  HN  ))
      2.695     0.895     0.895
 assi 
   (( resid 23   and name  HN  ))
   (  resid 24   and name  HB# )
      2.900     1.100     1.100
 assi 
   (  resid 24   and name  HB# )
   (( resid 73   and name  HN  ))
      3.150     1.350     1.350
 assi 
   (( resid 25   and name  HA  ))
   (( resid 28   and name  HB1 ))
      3.335     1.535     1.535
 assi 
   (( resid 25   and name  HA  ))
   (( resid 28   and name  HB2 ))
      3.335     1.535     1.535
 assi 
   (( resid 25   and name  HA  ))
   (  resid 37   and name  HB# )
      2.905     1.105     1.105
 assi 
   (( resid 25   and name  HN  ))
   (( resid 25   and name  HB1 ))
      2.875     1.075     1.075
 assi 
   (( resid 26   and name  HA  ))
   (  resid 29   and name  HB# )
      3.155     1.355     1.355
 assi 
   (( resid 26   and name  HA  ))
   (  resid 29   and name  HG# )
      3.320     1.520     1.520
 assi 
   (( resid 26   and name  HA  ))
   (  resid 29   and name  HD# )
      3.070     1.270     1.270
 assi 
   (( resid 26   and name  HA  ))
   (( resid 29   and name  HN  ))
      3.015     1.215     1.215
 assi 
   (( resid 27   and name  HA  ))
   (( resid 27   and name  HD1 ))
      3.115     1.315     1.315
 assi 
   (( resid 27   and name  HB1 ))
   (( resid 28   and name  HA  ))
      3.130     1.330     1.330
 assi 
   (( resid 28   and name  HA  ))
   (( resid 33   and name  HB2 ))
      3.190     1.390     1.390
 assi 
   (( resid 28   and name  HA  ))
   (  resid 31   and name  HB# )
      2.870     1.070     1.070
 assi 
   (( resid 27   and name  HE3 ))
   (( resid 28   and name  HA  ))
      2.735     0.935     0.935
 assi 
   (( resid 28   and name  HA  ))
   (( resid 31   and name  HN  ))
      3.125     1.325     1.325
 assi 
   (( resid 28   and name  HG  ))
   (( resid 71   and name  HG  ))
      3.370     1.570     1.570
 assi 
   (( resid 27   and name  HE3 ))
   (( resid 28   and name  HG  ))
      3.335     1.535     1.535
 assi 
   (  resid 28   and name  HD1#)
   (  resid 71   and name  HD1#)
      3.055     1.255     1.255
 assi 
   (  resid 28   and name  HD1#)
   (  resid 71   and name  HD2#)
      3.055     1.255     1.255
 assi 
   (  resid 28   and name  HD1#)
   (( resid 36   and name  HB1 ))
      3.345     1.545     1.545
 assi 
   (  resid 28   and name  HD1#)
   (( resid 37   and name  HN  ))
      3.000     1.200     1.200
 assi 
   (( resid 27   and name  HE3 ))
   (  resid 28   and name  HD1#)
      3.135     1.335     1.335
 assi 
   (  resid 28   and name  HD1#)
   (( resid 29   and name  HN  ))
      3.330     1.530     1.530
 assi 
   (  resid 28   and name  HD1#)
   (( resid 71   and name  HN  ))
      3.650     1.850     1.850
 assi 
   (  resid 28   and name  HD2#)
   (  resid 71   and name  HD1#)
      3.055     1.255     1.255
 assi 
   (  resid 28   and name  HD2#)
   (( resid 36   and name  HB2 ))
      3.345     1.545     1.545
 assi 
   (  resid 28   and name  HD2#)
   (( resid 36   and name  HB1 ))
      3.345     1.545     1.545
 assi 
   (  resid 28   and name  HD2#)
   (( resid 37   and name  HN  ))
      3.000     1.200     1.200
 assi 
   (( resid 27   and name  HE3 ))
   (  resid 28   and name  HD2#)
      3.135     1.335     1.335
 assi 
   (( resid 28   and name  HN  ))
   (  resid 28   and name  HD2#)
      2.980     1.180     1.180
 assi 
   (  resid 28   and name  HD2#)
   (( resid 29   and name  HN  ))
      3.330     1.530     1.530
 assi 
   (( resid 29   and name  HA  ))
   (  resid 29   and name  HG# )
      2.910     1.110     1.110
 assi 
   (( resid 30   and name  HA  ))
   (  resid 31   and name  HB# )
      3.545     1.745     1.745
 assi 
   (  resid 29   and name  HB# )
   (( resid 30   and name  HA  ))
      3.530     1.730     1.730
 assi 
   (  resid 29   and name  HG# )
   (( resid 30   and name  HA  ))
      3.650     1.850     1.850
 assi 
   (( resid 30   and name  HA  ))
   (( resid 32   and name  HN  ))
      3.335     1.535     1.535
 assi 
   (( resid 27   and name  HA  ))
   (  resid 30   and name  HB# )
      2.455     0.655     0.655
 assi 
   (  resid 30   and name  HB# )
   (( resid 31   and name  HN  ))
      2.580     0.780     0.780
 assi 
   (( resid 30   and name  HN  ))
   (  resid 30   and name  HB# )
      2.410     0.610     0.610
 assi 
   (  resid 30   and name  HB# )
   (( resid 31   and name  HA  ))
      3.220     1.420     1.420
 assi 
   (( resid 32   and name  HN  ))
   (( resid 33   and name  HA  ))
      3.490     1.690     1.690
 assi 
   (( resid 33   and name  HA  ))
   (  resid 36   and name  HD# )
      3.650     1.850     1.850
 assi 
   (( resid 33   and name  HB1 ))
   (  resid 36   and name  HE# )
      3.270     1.470     1.470
 assi 
   (( resid 33   and name  HB1 ))
   (  resid 36   and name  HD# )
      2.685     0.885     0.885
 assi 
   (( resid 29   and name  HA  ))
   (( resid 34   and name  HA  ))
      2.850     1.050     1.050
 assi 
   (  resid 29   and name  HD# )
   (( resid 34   and name  HA  ))
      3.495     1.695     1.695
 assi 
   (  resid 29   and name  HG# )
   (( resid 34   and name  HA  ))
      3.025     1.225     1.225
 assi 
   (  resid 33   and name  HD# )
   (( resid 34   and name  HD2 ))
      3.340     1.540     1.540
 assi 
   (( resid 33   and name  HN  ))
   (( resid 34   and name  HD2 ))
      3.240     1.440     1.440
 assi 
   (( resid 34   and name  HD2 ))
   (( resid 35   and name  HN  ))
      3.195     1.395     1.395
 assi 
   (( resid 33   and name  HA  ))
   (( resid 34   and name  HD1 ))
      2.900     1.100     1.100
 assi 
   (( resid 32   and name  HN  ))
   (( resid 34   and name  HD1 ))
      3.260     1.460     1.460
 assi 
   (( resid 33   and name  HN  ))
   (( resid 34   and name  HD1 ))
      3.145     1.345     1.345
 assi 
   (( resid 34   and name  HD1 ))
   (( resid 35   and name  HN  ))
      3.210     1.410     1.410
 assi 
   (( resid 35   and name  HG1 ))
   (( resid 36   and name  HN  ))
      3.290     1.490     1.490
 assi 
   (  resid 28   and name  HD1#)
   (( resid 36   and name  HB2 ))
      3.345     1.545     1.545
 assi 
   (( resid 37   and name  HA  ))
   (( resid 40   and name  HB2 ))
      3.320     1.520     1.520
 assi 
   (  resid 37   and name  HB# )
   (( resid 38   and name  HB2 ))
      3.510     1.710     1.710
 assi 
   (  resid 29   and name  HD# )
   (  resid 37   and name  HB# )
      3.565     1.765     1.765
 assi 
   (( resid 37   and name  HN  ))
   (  resid 37   and name  HB# )
      2.500     0.700     0.700
 assi 
   (( resid 36   and name  HN  ))
   (  resid 37   and name  HB# )
      3.105     1.305     1.305
 assi 
   (  resid 37   and name  HB# )
   (( resid 38   and name  HN  ))
      2.660     0.860     0.860
 assi 
   (( resid 25   and name  HN  ))
   (  resid 37   and name  HB# )
      3.650     1.850     1.850
 assi 
   (( resid 27   and name  HN  ))
   (  resid 37   and name  HB# )
      3.650     1.850     1.850
 assi 
   (( resid 28   and name  HN  ))
   (  resid 37   and name  HB# )
      3.220     1.420     1.420
 assi 
   (( resid 42   and name  HB2 ))
   (( resid 44   and name  HG1 ))
      3.355     1.555     1.555
 assi 
   (( resid 38   and name  HA  ))
   (( resid 38   and name  HG2 ))
      2.975     1.175     1.175
 assi 
   (( resid 42   and name  HB1 ))
   (( resid 44   and name  HG1 ))
      3.355     1.555     1.555
 assi 
   (( resid 44   and name  HA  ))
   (( resid 44   and name  HG1 ))
      3.010     1.210     1.210
 assi 
   (( resid 38   and name  HN  ))
   (( resid 38   and name  HG2 ))
      2.985     1.185     1.185
 assi 
   (( resid 44   and name  HN  ))
   (( resid 44   and name  HG1 ))
      3.150     1.350     1.350
 assi 
   (( resid 38   and name  HA  ))
   (( resid 38   and name  HG1 ))
      2.975     1.175     1.175
 assi 
   (( resid 35   and name  HA  ))
   (( resid 38   and name  HG1 ))
      3.285     1.485     1.485
 assi 
   (( resid 35   and name  HA  ))
   (( resid 38   and name  HG2 ))
      3.285     1.485     1.485
 assi 
   (( resid 38   and name  HN  ))
   (( resid 38   and name  HG1 ))
      2.985     1.185     1.185
 assi 
   (( resid 81   and name  HA  ))
   (  resid 81   and name  HD# )
      3.080     1.280     1.280
 assi 
   (( resid 39   and name  HA  ))
   (( resid 42   and name  HB2 ))
      2.905     1.105     1.105
 assi 
   (( resid 39   and name  HA  ))
   (( resid 42   and name  HB1 ))
      2.905     1.105     1.105
 assi 
   (( resid 36   and name  HA  ))
   (( resid 39   and name  HB2 ))
      3.460     1.660     1.660
 assi 
   (  resid 36   and name  HD# )
   (( resid 39   and name  HB2 ))
      3.650     1.850     1.850
 assi 
   (( resid 39   and name  HB2 ))
   (  resid 45   and name  HD# )
      3.300     1.500     1.500
 assi 
   (( resid 36   and name  HA  ))
   (( resid 39   and name  HB1 ))
      3.460     1.660     1.660
 assi 
   (  resid 36   and name  HD# )
   (( resid 39   and name  HB1 ))
      3.650     1.850     1.850
 assi 
   (( resid 39   and name  HB1 ))
   (  resid 45   and name  HD# )
      3.300     1.500     1.500
 assi 
   (( resid 39   and name  HB1 ))
   (  resid 39   and name  HD1#)
      2.660     0.860     0.860
 assi 
   (( resid 39   and name  HB1 ))
   (  resid 39   and name  HD2#)
      2.660     0.860     0.860
 assi 
   (( resid 39   and name  HB2 ))
   (  resid 39   and name  HD2#)
      2.660     0.860     0.860
 assi 
   (( resid 39   and name  HN  ))
   (  resid 39   and name  HD2#)
      3.020     1.220     1.220
 assi 
   (( resid 39   and name  HB2 ))
   (  resid 39   and name  HD1#)
      2.660     0.860     0.860
 assi 
   (( resid 40   and name  HA  ))
   (  resid 40   and name  HD# )
      3.035     1.235     1.235
 assi 
   (( resid 40   and name  HA  ))
   (  resid 40   and name  HE# )
      3.295     1.495     1.495
 assi 
   (( resid 40   and name  HA  ))
   (  resid 45   and name  HD# )
      2.835     1.035     1.035
 assi 
   (( resid 37   and name  HA  ))
   (( resid 40   and name  HB1 ))
      3.320     1.520     1.520
 assi 
   (( resid 41   and name  HA  ))
   (( resid 41   and name  HG2 ))
      2.845     1.045     1.045
 assi 
   (  resid 40   and name  HD# )
   (( resid 41   and name  HG2 ))
      3.400     1.600     1.600
 assi 
   (( resid 41   and name  HA  ))
   (( resid 41   and name  HG1 ))
      2.845     1.045     1.045
 assi 
   (  resid 40   and name  HD# )
   (( resid 41   and name  HG1 ))
      3.400     1.600     1.600
 assi 
   (( resid 43   and name  HB2 ))
   (( resid 44   and name  HN  ))
      3.295     1.495     1.495
 assi 
   (( resid 43   and name  HB1 ))
   (( resid 44   and name  HN  ))
      3.295     1.495     1.495
 assi 
   (( resid 44   and name  HA  ))
   (( resid 44   and name  HG2 ))
      3.010     1.210     1.210
 assi 
   (( resid 24   and name  HA  ))
   (( resid 70   and name  HB1 ))
      2.995     1.195     1.195
 assi 
   (( resid 42   and name  HB2 ))
   (( resid 44   and name  HG2 ))
      3.355     1.555     1.555
 assi 
   (( resid 42   and name  HB1 ))
   (( resid 44   and name  HG2 ))
      3.355     1.555     1.555
 assi 
   (( resid 26   and name  HA  ))
   (( resid 27   and name  HA  ))
      3.310     1.510     1.510
 assi 
   (( resid 45   and name  HA  ))
   (  resid 45   and name  HD# )
      2.860     1.060     1.060
 assi 
   (( resid 45   and name  HA  ))
   (  resid 45   and name  HE# )
      3.200     1.400     1.400
 assi 
   (( resid 45   and name  HB2 ))
   (( resid 46   and name  HA  ))
      3.590     1.790     1.790
 assi 
   (( resid 45   and name  HB1 ))
   (( resid 46   and name  HA  ))
      2.895     1.095     1.095
 assi 
   (( resid 46   and name  HB2 ))
   (( resid 47   and name  HA  ))
      3.345     1.545     1.545
 assi 
   (( resid 46   and name  HB1 ))
   (( resid 47   and name  HN  ))
      3.125     1.325     1.325
 assi 
   (( resid 47   and name  HB  ))
   (  resid 47   and name  HD1#)
      2.785     0.985     0.985
 assi 
   (( resid 49   and name  HA  ))
   (( resid 52   and name  HN  ))
      2.935     1.135     1.135
 assi 
   (( resid 48   and name  HA  ))
   (( resid 49   and name  HB  ))
      3.360     1.560     1.560
 assi 
   (( resid 49   and name  HG11))
   (( resid 75   and name  HD21))
      3.375     1.575     1.575
 assi 
   (  resid 49   and name  HD1#)
   (( resid 71   and name  HB2 ))
      2.745     0.945     0.945
 assi 
   (( resid 49   and name  HB  ))
   (  resid 49   and name  HD1#)
      2.505     0.705     0.705
 assi 
   (  resid 49   and name  HD1#)
   (( resid 71   and name  HB1 ))
      2.745     0.945     0.945
 assi 
   (  resid 49   and name  HD1#)
   (( resid 72   and name  HA  ))
      2.640     0.840     0.840
 assi 
   (( resid 49   and name  HA  ))
   (  resid 49   and name  HD1#)
      2.845     1.045     1.045
 assi 
   (  resid 49   and name  HD1#)
   (( resid 72   and name  HB2 ))
      2.810     1.010     1.010
 assi 
   (  resid 49   and name  HD1#)
   (( resid 75   and name  HD22))
      2.795     0.995     0.995
 assi 
   (  resid 49   and name  HD1#)
   (( resid 75   and name  HD21))
      2.795     0.995     0.995
 assi 
   (  resid 49   and name  HD1#)
   (( resid 71   and name  HN  ))
      3.465     1.665     1.665
 assi 
   (( resid 49   and name  HN  ))
   (  resid 49   and name  HD1#)
      2.670     0.870     0.870
 assi 
   (( resid 47   and name  HN  ))
   (  resid 49   and name  HD1#)
      3.230     1.430     1.430
 assi 
   (  resid 49   and name  HG2#)
   (( resid 49   and name  HG12))
      2.595     0.795     0.795
 assi 
   (  resid 49   and name  HG2#)
   (  resid 53   and name  HD# )
      2.800     1.000     1.000
 assi 
   (  resid 49   and name  HG2#)
   (  resid 53   and name  HE# )
      3.050     1.250     1.250
 assi 
   (( resid 49   and name  HA  ))
   (  resid 49   and name  HG2#)
      2.530     0.730     0.730
 assi 
   (  resid 49   and name  HG2#)
   (( resid 68   and name  HA  ))
      2.905     1.105     1.105
 assi 
   (  resid 49   and name  HG2#)
   (( resid 71   and name  HN  ))
      3.345     1.545     1.545
 assi 
   (( resid 49   and name  HN  ))
   (  resid 49   and name  HG2#)
      2.855     1.055     1.055
 assi 
   (( resid 50   and name  HA  ))
   (  resid 53   and name  HD# )
      3.105     1.305     1.305
 assi 
   (  resid 53   and name  HB# )
   (( resid 64   and name  HA  ))
      3.255     1.455     1.455
 assi 
   (( resid 64   and name  HA  ))
   (( resid 67   and name  HB1 ))
      3.020     1.220     1.220
 assi 
   (( resid 64   and name  HA  ))
   (( resid 67   and name  HB2 ))
      3.020     1.220     1.220
 assi 
   (( resid 50   and name  HA  ))
   (  resid 53   and name  HE# )
      3.255     1.455     1.455
 assi 
   (( resid 64   and name  HA  ))
   (( resid 67   and name  HN  ))
      3.050     1.250     1.250
 assi 
   (( resid 76   and name  HB2 ))
   (  resid 76   and name  HE# )
      3.185     1.385     1.385
 assi 
   (( resid 50   and name  HB  ))
   (( resid 51   and name  HN  ))
      3.025     1.225     1.225
 assi 
   (( resid 50   and name  HA  ))
   (  resid 50   and name  HG1#)
      2.590     0.790     0.790
 assi 
   (  resid 50   and name  HG1#)
   (( resid 51   and name  HN  ))
      2.975     1.175     1.175
 assi 
   (( resid 50   and name  HN  ))
   (  resid 50   and name  HG1#)
      2.820     1.020     1.020
 assi 
   (( resid 50   and name  HA  ))
   (  resid 50   and name  HG2#)
      2.590     0.790     0.790
 assi 
   (( resid 64   and name  HA  ))
   (  resid 64   and name  HG1#)
      2.730     0.930     0.930
 assi 
   (( resid 50   and name  HN  ))
   (  resid 50   and name  HG2#)
      2.820     1.020     1.020
 assi 
   (  resid 50   and name  HG2#)
   (( resid 51   and name  HN  ))
      2.975     1.175     1.175
 assi 
   (  resid 51   and name  HB# )
   (( resid 52   and name  HA  ))
      3.250     1.450     1.450
 assi 
   (( resid 52   and name  HB  ))
   (( resid 53   and name  HN  ))
      3.010     1.210     1.210
 assi 
   (( resid 49   and name  HA  ))
   (  resid 52   and name  HG1#)
      2.910     1.110     1.110
 assi 
   (( resid 52   and name  HA  ))
   (  resid 52   and name  HG1#)
      2.515     0.715     0.715
 assi 
   (( resid 52   and name  HN  ))
   (  resid 52   and name  HG1#)
      2.770     0.970     0.970
 assi 
   (  resid 52   and name  HG1#)
   (( resid 53   and name  HN  ))
      2.930     1.130     1.130
 assi 
   (( resid 52   and name  HA  ))
   (  resid 52   and name  HG2#)
      2.515     0.715     0.715
 assi 
   (( resid 49   and name  HA  ))
   (  resid 52   and name  HG2#)
      2.910     1.110     1.110
 assi 
   (( resid 51   and name  HN  ))
   (  resid 52   and name  HG2#)
      3.300     1.500     1.500
 assi 
   (( resid 52   and name  HN  ))
   (  resid 52   and name  HG2#)
      2.770     0.970     0.970
 assi 
   (  resid 52   and name  HG2#)
   (( resid 53   and name  HN  ))
      2.930     1.130     1.130
 assi 
   (( resid 53   and name  HA  ))
   (  resid 64   and name  HG1#)
      2.900     1.100     1.100
 assi 
   (( resid 53   and name  HA  ))
   (( resid 53   and name  HG2 ))
      2.965     1.165     1.165
 assi 
   (  resid 53   and name  HB# )
   (  resid 64   and name  HG1#)
      2.950     1.150     1.150
 assi 
   (  resid 53   and name  HB# )
   (  resid 53   and name  HE# )
      3.060     1.260     1.260
 assi 
   (( resid 50   and name  HA  ))
   (  resid 53   and name  HB# )
      3.165     1.365     1.365
 assi 
   (  resid 53   and name  HB# )
   (( resid 54   and name  HN  ))
      2.840     1.040     1.040
 assi 
   (( resid 53   and name  HG2 ))
   (  resid 64   and name  HG1#)
      3.460     1.660     1.660
 assi 
   (  resid 53   and name  HE# )
   (  resid 64   and name  HG1#)
      3.125     1.325     1.325
 assi 
   (( resid 53   and name  HG1 ))
   (  resid 53   and name  HE# )
      2.840     1.040     1.040
 assi 
   (( resid 53   and name  HG2 ))
   (  resid 53   and name  HE# )
      2.840     1.040     1.040
 assi 
   (( resid 52   and name  HA  ))
   (( resid 55   and name  HB1 ))
      3.410     1.610     1.610
 assi 
   (( resid 52   and name  HA  ))
   (( resid 55   and name  HB2 ))
      3.410     1.610     1.610
 assi 
   (( resid 58   and name  HA  ))
   (  resid 58   and name  HD# )
      3.315     1.515     1.515
 assi 
   (( resid 59   and name  HA  ))
   (  resid 59   and name  HD2#)
      2.820     1.020     1.020
 assi 
   (( resid 59   and name  HA  ))
   (( resid 59   and name  HG  ))
      2.745     0.945     0.945
 assi 
   (( resid 59   and name  HB2 ))
   (( resid 60   and name  HN  ))
      3.120     1.320     1.320
 assi 
   (( resid 59   and name  HB1 ))
   (( resid 60   and name  HN  ))
      3.120     1.320     1.320
 assi 
   (( resid 59   and name  HN  ))
   (( resid 59   and name  HG  ))
      3.225     1.425     1.425
 assi 
   (( resid 59   and name  HA  ))
   (  resid 59   and name  HD1#)
      2.820     1.020     1.020
 assi 
   (( resid 64   and name  HA  ))
   (  resid 64   and name  HG2#)
      2.535     0.735     0.735
 assi 
   (( resid 64   and name  HN  ))
   (  resid 64   and name  HG2#)
      2.465     0.665     0.665
 assi 
   (( resid 60   and name  HN  ))
   (( resid 60   and name  HB1 ))
      2.910     1.110     1.110
 assi 
   (( resid 60   and name  HA  ))
   (  resid 60   and name  HG# )
      2.685     0.885     0.885
 assi 
   (( resid 60   and name  HN  ))
   (  resid 60   and name  HG# )
      2.710     0.910     0.910
 assi 
   (( resid 61   and name  HA  ))
   (( resid 64   and name  HN  ))
      3.145     1.345     1.345
 assi 
   (( resid 61   and name  HA  ))
   (  resid 61   and name  HD# )
      3.200     1.400     1.400
 assi 
   (  resid 61   and name  HG# )
   (  resid 61   and name  HE# )
      2.625     0.825     0.825
 assi 
   (  resid 61   and name  HG# )
   (( resid 62   and name  HN  ))
      3.250     1.450     1.450
 assi 
   (( resid 62   and name  HB1 ))
   (( resid 63   and name  HN  ))
      3.240     1.440     1.440
 assi 
   (( resid 63   and name  HB1 ))
   (  resid 63   and name  HD2#)
      2.830     1.030     1.030
 assi 
   (( resid 63   and name  HB2 ))
   (  resid 63   and name  HD2#)
      2.830     1.030     1.030
 assi 
   (( resid 63   and name  HB1 ))
   (  resid 63   and name  HD1#)
      2.830     1.030     1.030
 assi 
   (( resid 63   and name  HB1 ))
   (( resid 64   and name  HN  ))
      3.210     1.410     1.410
 assi 
   (( resid 63   and name  HN  ))
   (( resid 63   and name  HG  ))
      3.245     1.445     1.445
 assi 
   (( resid 63   and name  HB2 ))
   (  resid 63   and name  HD1#)
      2.830     1.030     1.030
 assi 
   (( resid 53   and name  HA  ))
   (( resid 53   and name  HG1 ))
      2.965     1.165     1.165
 assi 
   (( resid 63   and name  HA  ))
   (  resid 63   and name  HD1#)
      2.980     1.180     1.180
 assi 
   (  resid 33   and name  HE# )
   (  resid 63   and name  HD1#)
      3.180     1.380     1.380
 assi 
   (( resid 63   and name  HN  ))
   (  resid 63   and name  HD1#)
      3.200     1.400     1.400
 assi 
   (( resid 53   and name  HG1 ))
   (  resid 64   and name  HG1#)
      3.460     1.660     1.660
 assi 
   (( resid 63   and name  HA  ))
   (  resid 63   and name  HD2#)
      2.980     1.180     1.180
 assi 
   (  resid 33   and name  HE# )
   (  resid 63   and name  HD2#)
      3.180     1.380     1.380
 assi 
   (  resid 64   and name  HG1#)
   (( resid 65   and name  HA  ))
      3.025     1.225     1.225
 assi 
   (( resid 65   and name  HA  ))
   (( resid 65   and name  HG2 ))
      2.900     1.100     1.100
 assi 
   (( resid 65   and name  HN  ))
   (( resid 65   and name  HG2 ))
      3.010     1.210     1.210
 assi 
   (( resid 65   and name  HA  ))
   (( resid 65   and name  HG1 ))
      2.900     1.100     1.100
 assi 
   (( resid 66   and name  HA  ))
   (( resid 69   and name  HB2 ))
      2.975     1.175     1.175
 assi 
   (( resid 27   and name  HZ2 ))
   (( resid 66   and name  HB2 ))
      3.150     1.350     1.350
 assi 
   (( resid 69   and name  HB1 ))
   (( resid 70   and name  HA  ))
      3.330     1.530     1.530
 assi 
   (( resid 63   and name  HA  ))
   (( resid 66   and name  HB1 ))
      3.650     1.850     1.850
 assi 
   (( resid 27   and name  HZ2 ))
   (( resid 66   and name  HB1 ))
      2.980     1.180     1.180
 assi 
   (( resid 63   and name  HA  ))
   (( resid 66   and name  HD2 ))
      3.095     1.295     1.295
 assi 
   (( resid 63   and name  HA  ))
   (( resid 66   and name  HD1 ))
      3.095     1.295     1.295
 assi 
   (( resid 66   and name  HD1 ))
   (( resid 67   and name  HN  ))
      3.240     1.440     1.440
 assi 
   (( resid 64   and name  HN  ))
   (( resid 66   and name  HD2 ))
      3.420     1.620     1.620
 assi 
   (( resid 65   and name  HN  ))
   (( resid 66   and name  HD1 ))
      2.725     0.925     0.925
 assi 
   (( resid 63   and name  HA  ))
   (( resid 66   and name  HG2 ))
      3.175     1.375     1.375
 assi 
   (( resid 63   and name  HA  ))
   (( resid 66   and name  HG1 ))
      3.175     1.375     1.375
 assi 
   (( resid 66   and name  HB2 ))
   (( resid 67   and name  HA  ))
      3.135     1.335     1.335
 assi 
   (( resid 67   and name  HG  ))
   (  resid 71   and name  HD2#)
      3.650     1.850     1.850
 assi 
   (( resid 67   and name  HG  ))
   (  resid 71   and name  HD1#)
      3.650     1.850     1.850
 assi 
   (  resid 53   and name  HB# )
   (( resid 67   and name  HG  ))
      3.650     1.850     1.850
 assi 
   (  resid 49   and name  HD1#)
   (( resid 68   and name  HA  ))
      3.090     1.290     1.290
 assi 
   (( resid 49   and name  HG12))
   (( resid 68   and name  HA  ))
      3.360     1.560     1.560
 assi 
   (( resid 68   and name  HA  ))
   (( resid 71   and name  HN  ))
      2.970     1.170     1.170
 assi 
   (( resid 65   and name  HA  ))
   (( resid 68   and name  HB2 ))
      3.500     1.700     1.700
 assi 
   (( resid 65   and name  HA  ))
   (( resid 68   and name  HB1 ))
      3.500     1.700     1.700
 assi 
   (( resid 68   and name  HB1 ))
   (( resid 69   and name  HN  ))
      3.140     1.340     1.340
 assi 
   (( resid 68   and name  HN  ))
   (( resid 68   and name  HB1 ))
      2.980     1.180     1.180
 assi 
   (( resid 69   and name  HA  ))
   (( resid 69   and name  HG2 ))
      2.940     1.140     1.140
 assi 
   (( resid 69   and name  HA  ))
   (( resid 69   and name  HG1 ))
      2.940     1.140     1.140
 assi 
   (( resid 69   and name  HA  ))
   (( resid 72   and name  HB1 ))
      2.805     1.005     1.005
 assi 
   (( resid 24   and name  HA  ))
   (( resid 70   and name  HG1 ))
      3.275     1.475     1.475
 assi 
   (( resid 69   and name  HB1 ))
   (( resid 69   and name  HD2 ))
      2.930     1.130     1.130
 assi 
   (( resid 69   and name  HB1 ))
   (( resid 69   and name  HD1 ))
      2.930     1.130     1.130
 assi 
   (( resid 69   and name  HN  ))
   (( resid 69   and name  HG2 ))
      3.185     1.385     1.385
 assi 
   (( resid 70   and name  HA  ))
   (( resid 74   and name  HN  ))
      3.420     1.620     1.620
 assi 
   (( resid 70   and name  HA  ))
   (( resid 73   and name  HB  ))
      2.720     0.920     0.920
 assi 
   (( resid 23   and name  HA  ))
   (( resid 26   and name  HB2 ))
      2.925     1.125     1.125
 assi 
   (( resid 23   and name  HA  ))
   (( resid 23   and name  HG1 ))
      2.925     1.125     1.125
 assi 
   (( resid 70   and name  HA  ))
   (( resid 70   and name  HD1 ))
      2.940     1.140     1.140
 assi 
   (( resid 76   and name  HA  ))
   (( resid 76   and name  HG2 ))
      2.905     1.105     1.105
 assi 
   (( resid 24   and name  HA  ))
   (( resid 70   and name  HD2 ))
      3.165     1.365     1.365
 assi 
   (( resid 70   and name  HA  ))
   (( resid 70   and name  HD2 ))
      2.940     1.140     1.140
 assi 
   (( resid 70   and name  HN  ))
   (( resid 70   and name  HD2 ))
      3.025     1.225     1.225
 assi 
   (( resid 70   and name  HN  ))
   (( resid 70   and name  HD1 ))
      3.025     1.225     1.225
 assi 
   (  resid 24   and name  HB# )
   (( resid 70   and name  HD1 ))
      3.270     1.470     1.470
 assi 
   (( resid 61   and name  HA  ))
   (  resid 64   and name  HG2#)
      2.880     1.080     1.080
 assi 
   (  resid 40   and name  HD# )
   (( resid 74   and name  HB2 ))
      3.355     1.555     1.555
 assi 
   (  resid 45   and name  HE# )
   (( resid 74   and name  HB2 ))
      3.215     1.415     1.415
 assi 
   (( resid 71   and name  HN  ))
   (  resid 71   and name  HD1#)
      2.945     1.145     1.145
 assi 
   (  resid 28   and name  HD2#)
   (  resid 71   and name  HD2#)
      3.055     1.255     1.255
 assi 
   (( resid 71   and name  HN  ))
   (  resid 71   and name  HD2#)
      2.945     1.145     1.145
 assi 
   (( resid 72   and name  HA  ))
   (( resid 76   and name  HN  ))
      3.305     1.505     1.505
 assi 
   (( resid 54   and name  HB1 ))
   (( resid 55   and name  HN  ))
      3.200     1.400     1.400
 assi 
   (( resid 72   and name  HB2 ))
   (( resid 73   and name  HN  ))
      3.380     1.580     1.580
 assi 
   (( resid 69   and name  HA  ))
   (( resid 72   and name  HB2 ))
      3.020     1.220     1.220
 assi 
   (  resid 49   and name  HD1#)
   (( resid 72   and name  HB1 ))
      3.450     1.650     1.650
 assi 
   (  resid 24   and name  HB# )
   (( resid 73   and name  HB  ))
      3.130     1.330     1.330
 assi 
   (  resid 24   and name  HB# )
   (  resid 73   and name  HG2#)
      2.670     0.870     0.870
 assi 
   (( resid 20   and name  HB1 ))
   (  resid 73   and name  HG2#)
      3.015     1.215     1.215
 assi 
   (( resid 73   and name  HA  ))
   (  resid 73   and name  HG2#)
      2.540     0.740     0.740
 assi 
   (( resid 20   and name  HA  ))
   (  resid 73   and name  HG2#)
      3.425     1.625     1.625
 assi 
   (( resid 70   and name  HA  ))
   (  resid 73   and name  HG2#)
      3.610     1.810     1.810
 assi 
   (  resid 73   and name  HG2#)
   (( resid 74   and name  HN  ))
      2.845     1.045     1.045
 assi 
   (( resid 73   and name  HN  ))
   (  resid 73   and name  HG2#)
      2.835     1.035     1.035
 assi 
   (( resid 74   and name  HA  ))
   (  resid 74   and name  HD1#)
      3.175     1.375     1.375
 assi 
   (( resid 74   and name  HA  ))
   (( resid 74   and name  HG  ))
      2.940     1.140     1.140
 assi 
   (( resid 74   and name  HA  ))
   (  resid 77   and name  HB# )
      2.855     1.055     1.055
 assi 
   (  resid 40   and name  HD# )
   (( resid 74   and name  HA  ))
      3.650     1.850     1.850
 assi 
   (  resid 40   and name  HE# )
   (( resid 74   and name  HA  ))
      3.340     1.540     1.540
 assi 
   (  resid 40   and name  HD# )
   (( resid 74   and name  HB1 ))
      3.355     1.555     1.555
 assi 
   (  resid 45   and name  HE# )
   (( resid 74   and name  HB1 ))
      3.215     1.415     1.415
 assi 
   (( resid 23   and name  HA  ))
   (( resid 27   and name  HN  ))
      3.195     1.395     1.395
 assi 
   (( resid 73   and name  HA  ))
   (( resid 76   and name  HB1 ))
      3.230     1.430     1.430
 assi 
   (( resid 73   and name  HA  ))
   (( resid 76   and name  HB2 ))
      3.230     1.430     1.430
 assi 
   (( resid 76   and name  HB1 ))
   (  resid 76   and name  HE# )
      3.185     1.385     1.385
 assi 
   (( resid 76   and name  HA  ))
   (( resid 76   and name  HG1 ))
      2.905     1.105     1.105
 assi 
   (( resid 77   and name  HA  ))
   (( resid 79   and name  HN  ))
      3.330     1.530     1.530
 assi 
   (  resid 21   and name  HB# )
   (  resid 77   and name  HB# )
      3.540     1.740     1.740
 assi 
   (  resid 40   and name  HE# )
   (  resid 77   and name  HB# )
      3.075     1.275     1.275
 assi 
   (  resid 40   and name  HE# )
   (( resid 78   and name  HA  ))
      3.180     1.380     1.380
 assi 
   (( resid 45   and name  HB1 ))
   (  resid 78   and name  HB# )
      2.745     0.945     0.945
 assi 
   (( resid 46   and name  HB1 ))
   (  resid 78   and name  HB# )
      2.985     1.185     1.185
 assi 
   (( resid 46   and name  HD2 ))
   (  resid 78   and name  HB# )
      2.995     1.195     1.195
 assi 
   (( resid 45   and name  HB2 ))
   (  resid 78   and name  HB# )
      2.705     0.905     0.905
 assi 
   (( resid 75   and name  HA  ))
   (  resid 78   and name  HB# )
      2.885     1.085     1.085
 assi 
   (( resid 46   and name  HD1 ))
   (  resid 78   and name  HB# )
      2.995     1.195     1.195
 assi 
   (  resid 40   and name  HD# )
   (  resid 78   and name  HB# )
      2.960     1.160     1.160
 assi 
   (  resid 40   and name  HE# )
   (  resid 78   and name  HB# )
      2.735     0.935     0.935
 assi 
   (  resid 45   and name  HD# )
   (  resid 78   and name  HB# )
      3.010     1.210     1.210
 assi 
   (  resid 78   and name  HB# )
   (( resid 79   and name  HN  ))
      2.775     0.975     0.975
 assi 
   (( resid 78   and name  HN  ))
   (  resid 78   and name  HB# )
      2.450     0.650     0.650
 assi 
   (  resid 19   and name  HG2#)
   (  resid 23   and name  HB# )
      3.250     1.450     1.450
 assi 
   (( resid 20   and name  HB2 ))
   (  resid 73   and name  HG2#)
      3.015     1.215     1.215
 assi 
   (( resid 20   and name  HN  ))
   (( resid 20   and name  HB2 ))
      2.725     0.925     0.925
 assi 
   (( resid 61   and name  HA  ))
   (  resid 61   and name  HG# )
      2.875     1.075     1.075
 assi 
   (( resid 23   and name  HA  ))
   (( resid 26   and name  HB1 ))
      2.925     1.125     1.125
 assi 
   (( resid 35   and name  HA  ))
   (( resid 38   and name  HB1 ))
      3.120     1.320     1.320
 assi 
   (( resid 35   and name  HA  ))
   (( resid 38   and name  HB2 ))
      2.835     1.035     1.035
 assi 
   (( resid 39   and name  HN  ))
   (( resid 39   and name  HG  ))
      3.010     1.210     1.210
 assi 
   (( resid 12   and name  HA  ))
   (  resid 12   and name  HG1#)
      2.665     0.865     0.865
 assi 
   (( resid 49   and name  HN  ))
   (( resid 50   and name  HA  ))
      3.650     1.850     1.850
 assi 
   (( resid 50   and name  HA  ))
   (( resid 53   and name  HN  ))
      3.215     1.415     1.415
 assi 
   (( resid 11   and name  HN  ))
   (( resid 11   and name  HB2 ))
      2.915     1.115     1.115
 assi 
   (( resid 11   and name  HG  ))
   (( resid 12   and name  HN  ))
      3.495     1.695     1.695
 assi 
   (( resid 12   and name  HN  ))
   (( resid 12   and name  HB  ))
      2.830     1.030     1.030
 assi 
   (( resid 11   and name  HA  ))
   (( resid 12   and name  HN  ))
      2.455     0.655     0.655
 assi 
   (( resid 14   and name  HN  ))
   (( resid 14   and name  HB2 ))
      2.930     1.130     1.130
 assi 
   (( resid 14   and name  HN  ))
   (( resid 14   and name  HB1 ))
      2.930     1.130     1.130
 assi 
   (( resid 17   and name  HN  ))
   (( resid 18   and name  HN  ))
      3.380     1.580     1.580
 assi 
   (( resid 18   and name  HN  ))
   (( resid 19   and name  HN  ))
      2.845     1.045     1.045
 assi 
   (( resid 18   and name  HN  ))
   (  resid 18   and name  HB# )
      2.540     0.740     0.740
 assi 
   (( resid 18   and name  HN  ))
   (( resid 18   and name  HG2 ))
      2.835     1.035     1.035
 assi 
   (( resid 18   and name  HN  ))
   (( resid 18   and name  HG1 ))
      2.835     1.035     1.035
 assi 
   (( resid 19   and name  HN  ))
   (( resid 20   and name  HN  ))
      2.615     0.815     0.815
 assi 
   (  resid 18   and name  HB# )
   (( resid 19   and name  HN  ))
      2.800     1.000     1.000
 assi 
   (( resid 19   and name  HN  ))
   (( resid 19   and name  HB  ))
      2.595     0.795     0.795
 assi 
   (( resid 19   and name  HN  ))
   (( resid 19   and name  HG11))
      2.900     1.100     1.100
 assi 
   (( resid 19   and name  HN  ))
   (  resid 19   and name  HD1#)
      2.885     1.085     1.085
 assi 
   (( resid 19   and name  HN  ))
   (( resid 19   and name  HG12))
      2.900     1.100     1.100
 assi 
   (( resid 20   and name  HN  ))
   (( resid 20   and name  HG1 ))
      2.970     1.170     1.170
 assi 
   (( resid 20   and name  HN  ))
   (( resid 20   and name  HG2 ))
      2.970     1.170     1.170
 assi 
   (( resid 20   and name  HN  ))
   (( resid 20   and name  HB1 ))
      2.725     0.925     0.925
 assi 
   (( resid 18   and name  HA  ))
   (( resid 21   and name  HN  ))
      3.220     1.420     1.420
 assi 
   (( resid 20   and name  HB1 ))
   (( resid 21   and name  HN  ))
      2.985     1.185     1.185
 assi 
   (( resid 20   and name  HB2 ))
   (( resid 21   and name  HN  ))
      2.985     1.185     1.185
 assi 
   (  resid 18   and name  HB# )
   (( resid 21   and name  HN  ))
      3.420     1.620     1.620
 assi 
   (( resid 21   and name  HN  ))
   (( resid 22   and name  HN  ))
      2.545     0.745     0.745
 assi 
   (( resid 22   and name  HN  ))
   (( resid 23   and name  HN  ))
      2.690     0.890     0.890
 assi 
   (( resid 22   and name  HN  ))
   (  resid 22   and name  HB# )
      2.420     0.620     0.620
 assi 
   (( resid 19   and name  HA  ))
   (( resid 23   and name  HN  ))
      3.405     1.605     1.605
 assi 
   (( resid 21   and name  HA  ))
   (( resid 23   and name  HN  ))
      3.495     1.695     1.695
 assi 
   (( resid 23   and name  HN  ))
   (( resid 23   and name  HG2 ))
      2.860     1.060     1.060
 assi 
   (( resid 23   and name  HN  ))
   (  resid 23   and name  HB# )
      2.460     0.660     0.660
 assi 
   (  resid 22   and name  HB# )
   (( resid 23   and name  HN  ))
      2.545     0.745     0.745
 assi 
   (  resid 19   and name  HG2#)
   (( resid 23   and name  HN  ))
      3.390     1.590     1.590
 assi 
   (( resid 23   and name  HN  ))
   (( resid 24   and name  HN  ))
      2.630     0.830     0.830
 assi 
   (( resid 24   and name  HN  ))
   (( resid 25   and name  HN  ))
      2.755     0.955     0.955
 assi 
   (( resid 24   and name  HN  ))
   (( resid 26   and name  HN  ))
      3.345     1.545     1.545
 assi 
   (( resid 21   and name  HA  ))
   (( resid 24   and name  HN  ))
      3.000     1.200     1.200
 assi 
   (  resid 23   and name  HB# )
   (( resid 24   and name  HN  ))
      2.655     0.855     0.855
 assi 
   (( resid 24   and name  HN  ))
   (( resid 70   and name  HB1 ))
      3.375     1.575     1.575
 assi 
   (( resid 24   and name  HN  ))
   (( resid 70   and name  HG1 ))
      3.650     1.850     1.850
 assi 
   (( resid 24   and name  HN  ))
   (  resid 73   and name  HG2#)
      3.555     1.755     1.755
 assi 
   (( resid 23   and name  HN  ))
   (( resid 25   and name  HN  ))
      3.225     1.425     1.425
 assi 
   (( resid 25   and name  HN  ))
   (( resid 25   and name  HB2 ))
      2.875     1.075     1.075
 assi 
   (( resid 22   and name  HA  ))
   (( resid 25   and name  HN  ))
      3.085     1.285     1.285
 assi 
   (( resid 25   and name  HN  ))
   (( resid 26   and name  HN  ))
      2.655     0.855     0.855
 assi 
   (( resid 23   and name  HA  ))
   (( resid 26   and name  HN  ))
      2.885     1.085     1.085
 assi 
   (( resid 22   and name  HA  ))
   (( resid 26   and name  HN  ))
      3.025     1.225     1.225
 assi 
   (( resid 25   and name  HB2 ))
   (( resid 26   and name  HN  ))
      3.085     1.285     1.285
 assi 
   (( resid 26   and name  HN  ))
   (( resid 26   and name  HB2 ))
      2.770     0.970     0.970
 assi 
   (( resid 26   and name  HN  ))
   (( resid 26   and name  HB1 ))
      2.770     0.970     0.970
 assi 
   (( resid 25   and name  HB1 ))
   (( resid 26   and name  HN  ))
      3.085     1.285     1.285
 assi 
   (  resid 24   and name  HB# )
   (( resid 26   and name  HN  ))
      3.325     1.525     1.525
 assi 
   (( resid 26   and name  HN  ))
   (( resid 27   and name  HN  ))
      2.800     1.000     1.000
 assi 
   (( resid 24   and name  HA  ))
   (( resid 27   and name  HN  ))
      3.110     1.310     1.310
 assi 
   (( resid 27   and name  HN  ))
   (( resid 27   and name  HB1 ))
      2.755     0.955     0.955
 assi 
   (( resid 27   and name  HN  ))
   (( resid 27   and name  HB2 ))
      2.695     0.895     0.895
 assi 
   (( resid 26   and name  HB2 ))
   (( resid 27   and name  HN  ))
      2.990     1.190     1.190
 assi 
   (( resid 26   and name  HB1 ))
   (( resid 27   and name  HN  ))
      2.990     1.190     1.190
 assi 
   (( resid 27   and name  HN  ))
   (( resid 28   and name  HN  ))
      2.795     0.995     0.995
 assi 
   (( resid 27   and name  HE3 ))
   (( resid 28   and name  HN  ))
      3.080     1.280     1.280
 assi 
   (( resid 25   and name  HA  ))
   (( resid 28   and name  HN  ))
      3.045     1.245     1.245
 assi 
   (( resid 27   and name  HB1 ))
   (( resid 28   and name  HN  ))
      2.930     1.130     1.130
 assi 
   (( resid 27   and name  HB2 ))
   (( resid 28   and name  HN  ))
      3.015     1.215     1.215
 assi 
   (( resid 28   and name  HN  ))
   (( resid 28   and name  HG  ))
      2.965     1.165     1.165
 assi 
   (( resid 28   and name  HN  ))
   (( resid 28   and name  HB1 ))
      2.955     1.155     1.155
 assi 
   (( resid 28   and name  HN  ))
   (( resid 28   and name  HB2 ))
      2.955     1.155     1.155
 assi 
   (( resid 28   and name  HN  ))
   (  resid 28   and name  HD1#)
      2.980     1.180     1.180
 assi 
   (( resid 28   and name  HN  ))
   (( resid 29   and name  HN  ))
      2.965     1.165     1.165
 assi 
   (( resid 27   and name  HN  ))
   (( resid 29   and name  HN  ))
      3.375     1.575     1.575
 assi 
   (( resid 25   and name  HA  ))
   (( resid 29   and name  HN  ))
      3.360     1.560     1.560
 assi 
   (( resid 29   and name  HN  ))
   (( resid 34   and name  HA  ))
      3.420     1.620     1.620
 assi 
   (( resid 29   and name  HN  ))
   (  resid 29   and name  HD# )
      3.185     1.385     1.385
 assi 
   (( resid 28   and name  HB1 ))
   (( resid 29   and name  HN  ))
      2.955     1.155     1.155
 assi 
   (( resid 28   and name  HB2 ))
   (( resid 29   and name  HN  ))
      2.955     1.155     1.155
 assi 
   (( resid 29   and name  HN  ))
   (  resid 29   and name  HG# )
      2.790     0.990     0.990
 assi 
   (( resid 29   and name  HN  ))
   (  resid 29   and name  HB# )
      2.545     0.745     0.745
 assi 
   (( resid 29   and name  HN  ))
   (  resid 30   and name  HB# )
      3.615     1.815     1.815
 assi 
   (( resid 29   and name  HN  ))
   (  resid 37   and name  HB# )
      3.140     1.340     1.340
 assi 
   (  resid 29   and name  HB# )
   (( resid 29   and name  HE  ))
      3.380     1.580     1.580
 assi 
   (( resid 29   and name  HN  ))
   (( resid 30   and name  HN  ))
      2.645     0.845     0.845
 assi 
   (( resid 27   and name  HA  ))
   (( resid 30   and name  HN  ))
      2.870     1.070     1.070
 assi 
   (( resid 30   and name  HN  ))
   (( resid 31   and name  HN  ))
      2.670     0.870     0.870
 assi 
   (( resid 31   and name  HN  ))
   (( resid 33   and name  HN  ))
      3.245     1.445     1.445
 assi 
   (( resid 31   and name  HN  ))
   (( resid 32   and name  HN  ))
      2.715     0.915     0.915
 assi 
   (  resid 29   and name  HG# )
   (( resid 31   and name  HN  ))
      3.650     1.850     1.850
 assi 
   (  resid 30   and name  HB# )
   (( resid 32   and name  HN  ))
      3.440     1.640     1.640
 assi 
   (( resid 32   and name  HN  ))
   (( resid 33   and name  HN  ))
      2.530     0.730     0.730
 assi 
   (( resid 28   and name  HA  ))
   (( resid 33   and name  HN  ))
      3.235     1.435     1.435
 assi 
   (( resid 33   and name  HN  ))
   (( resid 34   and name  HA  ))
      3.505     1.705     1.705
 assi 
   (( resid 33   and name  HN  ))
   (( resid 33   and name  HB2 ))
      2.930     1.130     1.130
 assi 
   (( resid 35   and name  HN  ))
   (( resid 36   and name  HN  ))
      2.850     1.050     1.050
 assi 
   (( resid 33   and name  HA  ))
   (( resid 35   and name  HN  ))
      3.285     1.485     1.485
 assi 
   (( resid 35   and name  HN  ))
   (( resid 35   and name  HG1 ))
      3.190     1.390     1.390
 assi 
   (( resid 35   and name  HN  ))
   (( resid 35   and name  HB1 ))
      2.775     0.975     0.975
 assi 
   (( resid 35   and name  HN  ))
   (( resid 35   and name  HB2 ))
      2.775     0.975     0.975
 assi 
   (( resid 35   and name  HN  ))
   (( resid 35   and name  HG2 ))
      3.190     1.390     1.390
 assi 
   (( resid 36   and name  HN  ))
   (  resid 36   and name  HD# )
      2.850     1.050     1.050
 assi 
   (( resid 36   and name  HN  ))
   (( resid 37   and name  HN  ))
      2.575     0.775     0.775
 assi 
   (( resid 36   and name  HN  ))
   (( resid 36   and name  HB1 ))
      2.880     1.080     1.080
 assi 
   (( resid 36   and name  HN  ))
   (( resid 36   and name  HB2 ))
      2.880     1.080     1.080
 assi 
   (( resid 35   and name  HG2 ))
   (( resid 36   and name  HN  ))
      3.290     1.490     1.490
 assi 
   (( resid 35   and name  HB1 ))
   (( resid 36   and name  HN  ))
      3.345     1.545     1.545
 assi 
   (( resid 35   and name  HB2 ))
   (( resid 36   and name  HN  ))
      3.345     1.545     1.545
 assi 
   (( resid 34   and name  HA  ))
   (( resid 37   and name  HN  ))
      3.125     1.325     1.325
 assi 
   (( resid 36   and name  HB1 ))
   (( resid 37   and name  HN  ))
      3.090     1.290     1.290
 assi 
   (( resid 36   and name  HB2 ))
   (( resid 37   and name  HN  ))
      3.090     1.290     1.290
 assi 
   (( resid 37   and name  HN  ))
   (( resid 38   and name  HB2 ))
      3.230     1.430     1.430
 assi 
   (( resid 36   and name  HN  ))
   (( resid 38   and name  HN  ))
      3.000     1.200     1.200
 assi 
   (( resid 37   and name  HN  ))
   (( resid 38   and name  HN  ))
      2.665     0.865     0.865
 assi 
   (( resid 35   and name  HA  ))
   (( resid 38   and name  HN  ))
      3.115     1.315     1.315
 assi 
   (( resid 38   and name  HN  ))
   (( resid 38   and name  HB1 ))
      2.710     0.910     0.910
 assi 
   (( resid 38   and name  HN  ))
   (( resid 38   and name  HB2 ))
      2.655     0.855     0.855
 assi 
   (( resid 38   and name  HA  ))
   (( resid 38   and name  HE22))
      3.325     1.525     1.525
 assi 
   (( resid 38   and name  HB2 ))
   (( resid 38   and name  HE22))
      3.575     1.775     1.775
 assi 
   (( resid 38   and name  HB1 ))
   (( resid 38   and name  HE22))
      3.220     1.420     1.420
 assi 
   (( resid 38   and name  HA  ))
   (( resid 38   and name  HE21))
      3.150     1.350     1.350
 assi 
   (( resid 38   and name  HB2 ))
   (( resid 38   and name  HE21))
      3.190     1.390     1.390
 assi 
   (( resid 38   and name  HB1 ))
   (( resid 38   and name  HE21))
      3.215     1.415     1.415
 assi 
   (( resid 38   and name  HN  ))
   (( resid 39   and name  HN  ))
      2.740     0.940     0.940
 assi 
   (( resid 39   and name  HN  ))
   (  resid 45   and name  HE# )
      3.090     1.290     1.290
 assi 
   (( resid 36   and name  HA  ))
   (( resid 39   and name  HN  ))
      3.120     1.320     1.320
 assi 
   (( resid 39   and name  HN  ))
   (  resid 39   and name  HD1#)
      3.020     1.220     1.220
 assi 
   (( resid 39   and name  HN  ))
   (( resid 39   and name  HB1 ))
      2.790     0.990     0.990
 assi 
   (( resid 38   and name  HB1 ))
   (( resid 39   and name  HN  ))
      2.855     1.055     1.055
 assi 
   (( resid 38   and name  HB2 ))
   (( resid 39   and name  HN  ))
      2.880     1.080     1.080
 assi 
   (( resid 39   and name  HN  ))
   (( resid 39   and name  HB2 ))
      2.790     0.990     0.990
 assi 
   (( resid 39   and name  HN  ))
   (( resid 40   and name  HN  ))
      2.615     0.815     0.815
 assi 
   (( resid 40   and name  HN  ))
   (( resid 41   and name  HN  ))
      2.765     0.965     0.965
 assi 
   (( resid 40   and name  HN  ))
   (  resid 45   and name  HE# )
      2.845     1.045     1.045
 assi 
   (( resid 40   and name  HN  ))
   (  resid 40   and name  HD# )
      3.185     1.385     1.385
 assi 
   (( resid 37   and name  HA  ))
   (( resid 40   and name  HN  ))
      3.290     1.490     1.490
 assi 
   (( resid 40   and name  HN  ))
   (( resid 40   and name  HB2 ))
      2.690     0.890     0.890
 assi 
   (( resid 40   and name  HN  ))
   (( resid 40   and name  HB1 ))
      2.690     0.890     0.890
 assi 
   (( resid 39   and name  HB2 ))
   (( resid 40   and name  HN  ))
      3.050     1.250     1.250
 assi 
   (( resid 39   and name  HB1 ))
   (( resid 40   and name  HN  ))
      3.050     1.250     1.250
 assi 
   (( resid 39   and name  HG  ))
   (( resid 40   and name  HN  ))
      3.650     1.850     1.850
 assi 
   (  resid 39   and name  HD1#)
   (( resid 40   and name  HN  ))
      3.650     1.850     1.850
 assi 
   (  resid 39   and name  HD2#)
   (( resid 40   and name  HN  ))
      3.650     1.850     1.850
 assi 
   (( resid 41   and name  HN  ))
   (( resid 42   and name  HN  ))
      2.735     0.935     0.935
 assi 
   (  resid 40   and name  HD# )
   (( resid 41   and name  HN  ))
      3.245     1.445     1.445
 assi 
   (( resid 41   and name  HN  ))
   (( resid 41   and name  HG2 ))
      2.845     1.045     1.045
 assi 
   (( resid 41   and name  HN  ))
   (( resid 41   and name  HG1 ))
      2.845     1.045     1.045
 assi 
   (( resid 41   and name  HN  ))
   (( resid 41   and name  HB2 ))
      2.805     1.005     1.005
 assi 
   (( resid 41   and name  HN  ))
   (( resid 41   and name  HB1 ))
      2.805     1.005     1.005
 assi 
   (  resid 29   and name  HB# )
   (( resid 30   and name  HN  ))
      2.700     0.900     0.900
 assi 
   (( resid 30   and name  HN  ))
   (  resid 31   and name  HB# )
      3.200     1.400     1.400
 assi 
   (( resid 42   and name  HN  ))
   (( resid 43   and name  HA  ))
      3.375     1.575     1.575
 assi 
   (( resid 39   and name  HA  ))
   (( resid 42   and name  HN  ))
      2.975     1.175     1.175
 assi 
   (( resid 42   and name  HN  ))
   (( resid 42   and name  HB2 ))
      2.740     0.940     0.940
 assi 
   (( resid 42   and name  HN  ))
   (( resid 42   and name  HB1 ))
      2.740     0.940     0.940
 assi 
   (( resid 53   and name  HN  ))
   (  resid 53   and name  HB# )
      2.595     0.795     0.795
 assi 
   (( resid 41   and name  HB2 ))
   (( resid 42   and name  HN  ))
      2.995     1.195     1.195
 assi 
   (( resid 41   and name  HB1 ))
   (( resid 42   and name  HN  ))
      2.995     1.195     1.195
 assi 
   (( resid 42   and name  HN  ))
   (( resid 43   and name  HN  ))
      2.575     0.775     0.775
 assi 
   (( resid 43   and name  HN  ))
   (( resid 44   and name  HN  ))
      2.515     0.715     0.715
 assi 
   (( resid 43   and name  HN  ))
   (( resid 43   and name  HB2 ))
      2.965     1.165     1.165
 assi 
   (( resid 43   and name  HN  ))
   (( resid 43   and name  HB1 ))
      2.965     1.165     1.165
 assi 
   (( resid 41   and name  HA  ))
   (( resid 43   and name  HN  ))
      3.030     1.230     1.230
 assi 
   (( resid 42   and name  HB1 ))
   (( resid 43   and name  HN  ))
      3.240     1.440     1.440
 assi 
   (( resid 42   and name  HB2 ))
   (( resid 43   and name  HN  ))
      3.240     1.440     1.440
 assi 
   (( resid 43   and name  HN  ))
   (( resid 44   and name  HG1 ))
      3.650     1.850     1.850
 assi 
   (( resid 43   and name  HN  ))
   (( resid 44   and name  HG2 ))
      3.650     1.850     1.850
 assi 
   (( resid 44   and name  HN  ))
   (  resid 45   and name  HD# )
      3.375     1.575     1.575
 assi 
   (( resid 39   and name  HA  ))
   (( resid 44   and name  HN  ))
      3.405     1.605     1.605
 assi 
   (( resid 44   and name  HN  ))
   (( resid 44   and name  HB1 ))
      2.820     1.020     1.020
 assi 
   (( resid 44   and name  HN  ))
   (( resid 44   and name  HG2 ))
      3.150     1.350     1.350
 assi 
   (( resid 44   and name  HN  ))
   (( resid 44   and name  HB2 ))
      2.820     1.020     1.020
 assi 
   (( resid 44   and name  HN  ))
   (( resid 45   and name  HN  ))
      2.300     0.500     0.500
 assi 
   (( resid 45   and name  HN  ))
   (( resid 45   and name  HB2 ))
      2.625     0.825     0.825
 assi 
   (( resid 45   and name  HN  ))
   (( resid 45   and name  HB1 ))
      2.915     1.115     1.115
 assi 
   (( resid 44   and name  HB2 ))
   (( resid 45   and name  HN  ))
      3.320     1.520     1.520
 assi 
   (( resid 44   and name  HB1 ))
   (( resid 45   and name  HN  ))
      3.320     1.520     1.520
 assi 
   (( resid 45   and name  HN  ))
   (  resid 78   and name  HB# )
      3.190     1.390     1.390
 assi 
   (( resid 46   and name  HA  ))
   (( resid 47   and name  HN  ))
      2.675     0.875     0.875
 assi 
   (( resid 45   and name  HA  ))
   (( resid 47   and name  HN  ))
      3.440     1.640     1.640
 assi 
   (( resid 45   and name  HB1 ))
   (( resid 47   and name  HN  ))
      3.650     1.850     1.850
 assi 
   (( resid 46   and name  HB2 ))
   (( resid 47   and name  HN  ))
      2.995     1.195     1.195
 assi 
   (( resid 47   and name  HN  ))
   (( resid 47   and name  HG11))
      3.085     1.285     1.285
 assi 
   (( resid 47   and name  HN  ))
   (  resid 47   and name  HD1#)
      3.040     1.240     1.240
 assi 
   (( resid 47   and name  HN  ))
   (( resid 47   and name  HG12))
      3.085     1.285     1.285
 assi 
   (( resid 48   and name  HN  ))
   (( resid 48   and name  HB1 ))
      2.920     1.120     1.120
 assi 
   (( resid 48   and name  HN  ))
   (( resid 48   and name  HB2 ))
      2.920     1.120     1.120
 assi 
   (( resid 47   and name  HB  ))
   (( resid 48   and name  HN  ))
      3.205     1.405     1.405
 assi 
   (  resid 47   and name  HG2#)
   (( resid 48   and name  HN  ))
      3.305     1.505     1.505
 assi 
   (( resid 48   and name  HD22))
   (  resid 51   and name  HB# )
      3.130     1.330     1.330
 assi 
   (( resid 49   and name  HN  ))
   (( resid 51   and name  HN  ))
      3.320     1.520     1.520
 assi 
   (( resid 48   and name  HA  ))
   (( resid 49   and name  HN  ))
      2.510     0.710     0.710
 assi 
   (( resid 48   and name  HB1 ))
   (( resid 49   and name  HN  ))
      3.380     1.580     1.580
 assi 
   (( resid 48   and name  HB2 ))
   (( resid 49   and name  HN  ))
      3.380     1.580     1.580
 assi 
   (( resid 49   and name  HN  ))
   (( resid 49   and name  HB  ))
      2.645     0.845     0.845
 assi 
   (( resid 49   and name  HN  ))
   (( resid 49   and name  HG12))
      2.795     0.995     0.995
 assi 
   (( resid 49   and name  HN  ))
   (( resid 49   and name  HG11))
      2.850     1.050     1.050
 assi 
   (( resid 49   and name  HN  ))
   (( resid 50   and name  HN  ))
      2.745     0.945     0.945
 assi 
   (( resid 50   and name  HN  ))
   (( resid 50   and name  HB  ))
      2.495     0.695     0.695
 assi 
   (( resid 49   and name  HB  ))
   (( resid 50   and name  HN  ))
      2.890     1.090     1.090
 assi 
   (  resid 49   and name  HG2#)
   (( resid 50   and name  HN  ))
      3.015     1.215     1.215
 assi 
   (( resid 50   and name  HN  ))
   (( resid 51   and name  HN  ))
      2.630     0.830     0.830
 assi 
   (( resid 51   and name  HN  ))
   (( resid 52   and name  HN  ))
      2.690     0.890     0.890
 assi 
   (( resid 49   and name  HA  ))
   (( resid 51   and name  HN  ))
      3.140     1.340     1.340
 assi 
   (( resid 51   and name  HN  ))
   (  resid 52   and name  HG1#)
      3.300     1.500     1.500
 assi 
   (( resid 52   and name  HN  ))
   (( resid 53   and name  HN  ))
      2.715     0.915     0.915
 assi 
   (( resid 52   and name  HN  ))
   (( resid 52   and name  HB  ))
      2.750     0.950     0.950
 assi 
   (( resid 52   and name  HN  ))
   (  resid 53   and name  HB# )
      3.465     1.665     1.665
 assi 
   (( resid 52   and name  HN  ))
   (  resid 53   and name  HD# )
      3.650     1.850     1.850
 assi 
   (( resid 53   and name  HN  ))
   (( resid 54   and name  HN  ))
      2.615     0.815     0.815
 assi 
   (( resid 49   and name  HA  ))
   (( resid 53   and name  HN  ))
      3.285     1.485     1.485
 assi 
   (( resid 53   and name  HN  ))
   (  resid 53   and name  HD# )
      3.265     1.465     1.465
 assi 
   (( resid 53   and name  HN  ))
   (( resid 53   and name  HG2 ))
      3.120     1.320     1.320
 assi 
   (( resid 53   and name  HN  ))
   (( resid 53   and name  HG1 ))
      3.120     1.320     1.320
 assi 
   (  resid 49   and name  HG2#)
   (( resid 53   and name  HN  ))
      3.195     1.395     1.395
 assi 
   (( resid 54   and name  HN  ))
   (( resid 55   and name  HN  ))
      2.655     0.855     0.855
 assi 
   (( resid 51   and name  HA  ))
   (( resid 54   and name  HN  ))
      3.020     1.220     1.220
 assi 
   (( resid 54   and name  HN  ))
   (( resid 54   and name  HB2 ))
      2.810     1.010     1.010
 assi 
   (( resid 54   and name  HN  ))
   (( resid 54   and name  HB1 ))
      2.810     1.010     1.010
 assi 
   (( resid 55   and name  HN  ))
   (( resid 56   and name  HN  ))
      2.915     1.115     1.115
 assi 
   (( resid 73   and name  HN  ))
   (( resid 74   and name  HN  ))
      2.820     1.020     1.020
 assi 
   (( resid 52   and name  HA  ))
   (( resid 55   and name  HN  ))
      3.295     1.495     1.495
 assi 
   (( resid 55   and name  HN  ))
   (( resid 55   and name  HB1 ))
      2.810     1.010     1.010
 assi 
   (( resid 55   and name  HN  ))
   (( resid 55   and name  HB2 ))
      2.810     1.010     1.010
 assi 
   (( resid 54   and name  HB2 ))
   (( resid 55   and name  HN  ))
      3.200     1.400     1.400
 assi 
   (( resid 56   and name  HN  ))
   (( resid 57   and name  HN  ))
      2.770     0.970     0.970
 assi 
   (( resid 57   and name  HN  ))
   (( resid 58   and name  HN  ))
      3.030     1.230     1.230
 assi 
   (( resid 57   and name  HN  ))
   (( resid 57   and name  HB2 ))
      2.705     0.905     0.905
 assi 
   (( resid 57   and name  HN  ))
   (( resid 57   and name  HB1 ))
      2.705     0.905     0.905
 assi 
   (( resid 58   and name  HN  ))
   (  resid 58   and name  HD# )
      2.875     1.075     1.075
 assi 
   (( resid 58   and name  HN  ))
   (  resid 58   and name  HB# )
      2.670     0.870     0.870
 assi 
   (( resid 59   and name  HN  ))
   (( resid 60   and name  HN  ))
      3.285     1.485     1.485
 assi 
   (  resid 58   and name  HB# )
   (( resid 59   and name  HN  ))
      3.050     1.250     1.250
 assi 
   (( resid 59   and name  HN  ))
   (( resid 59   and name  HB2 ))
      2.700     0.900     0.900
 assi 
   (( resid 59   and name  HN  ))
   (( resid 59   and name  HB1 ))
      2.700     0.900     0.900
 assi 
   (( resid 60   and name  HN  ))
   (( resid 60   and name  HB2 ))
      2.910     1.110     1.110
 assi 
   (( resid 59   and name  HG  ))
   (( resid 60   and name  HN  ))
      3.380     1.580     1.580
 assi 
   (  resid 60   and name  HG# )
   (( resid 61   and name  HN  ))
      3.300     1.500     1.500
 assi 
   (( resid 60   and name  HB1 ))
   (( resid 61   and name  HN  ))
      3.135     1.335     1.335
 assi 
   (( resid 60   and name  HB2 ))
   (( resid 61   and name  HN  ))
      3.135     1.335     1.335
 assi 
   (( resid 61   and name  HN  ))
   (  resid 61   and name  HB# )
      2.625     0.825     0.825
 assi 
   (( resid 61   and name  HN  ))
   (  resid 61   and name  HD# )
      3.395     1.595     1.595
 assi 
   (( resid 61   and name  HN  ))
   (  resid 61   and name  HG# )
      2.970     1.170     1.170
 assi 
   (( resid 62   and name  HN  ))
   (( resid 63   and name  HN  ))
      2.785     0.985     0.985
 assi 
   (( resid 60   and name  HA  ))
   (( resid 62   and name  HN  ))
      3.325     1.525     1.525
 assi 
   (( resid 62   and name  HN  ))
   (( resid 62   and name  HB2 ))
      2.825     1.025     1.025
 assi 
   (( resid 62   and name  HN  ))
   (( resid 62   and name  HB1 ))
      2.825     1.025     1.025
 assi 
   (  resid 60   and name  HG# )
   (( resid 62   and name  HN  ))
      3.390     1.590     1.590
 assi 
   (( resid 60   and name  HB1 ))
   (( resid 62   and name  HN  ))
      3.405     1.605     1.605
 assi 
   (( resid 60   and name  HB2 ))
   (( resid 62   and name  HN  ))
      3.405     1.605     1.605
 assi 
   (  resid 61   and name  HB# )
   (( resid 62   and name  HN  ))
      2.755     0.955     0.955
 assi 
   (( resid 63   and name  HN  ))
   (( resid 64   and name  HN  ))
      2.535     0.735     0.735
 assi 
   (( resid 61   and name  HA  ))
   (( resid 63   and name  HN  ))
      3.325     1.525     1.525
 assi 
   (( resid 62   and name  HB2 ))
   (( resid 63   and name  HN  ))
      3.240     1.440     1.440
 assi 
   (  resid 60   and name  HG# )
   (( resid 63   and name  HN  ))
      3.650     1.850     1.850
 assi 
   (( resid 63   and name  HN  ))
   (( resid 63   and name  HB1 ))
      2.745     0.945     0.945
 assi 
   (( resid 63   and name  HN  ))
   (( resid 63   and name  HB2 ))
      2.745     0.945     0.945
 assi 
   (( resid 63   and name  HN  ))
   (  resid 63   and name  HD2#)
      3.200     1.400     1.400
 assi 
   (( resid 63   and name  HN  ))
   (  resid 64   and name  HG2#)
      3.015     1.215     1.215
 assi 
   (( resid 64   and name  HN  ))
   (( resid 65   and name  HN  ))
      2.775     0.975     0.975
 assi 
   (( resid 64   and name  HN  ))
   (( resid 66   and name  HD1 ))
      3.420     1.620     1.620
 assi 
   (( resid 64   and name  HN  ))
   (( resid 64   and name  HB  ))
      2.555     0.755     0.755
 assi 
   (( resid 63   and name  HB2 ))
   (( resid 64   and name  HN  ))
      3.210     1.410     1.410
 assi 
   (( resid 64   and name  HN  ))
   (  resid 64   and name  HG1#)
      2.900     1.100     1.100
 assi 
   (( resid 65   and name  HN  ))
   (( resid 66   and name  HD2 ))
      2.725     0.925     0.925
 assi 
   (( resid 65   and name  HN  ))
   (( resid 65   and name  HG1 ))
      3.010     1.210     1.210
 assi 
   (( resid 65   and name  HN  ))
   (  resid 65   and name  HB# )
      2.440     0.640     0.640
 assi 
   (( resid 64   and name  HB  ))
   (( resid 65   and name  HN  ))
      2.410     0.610     0.610
 assi 
   (  resid 64   and name  HG1#)
   (( resid 65   and name  HN  ))
      2.910     1.110     1.110
 assi 
   (( resid 66   and name  HD2 ))
   (( resid 67   and name  HN  ))
      3.240     1.440     1.440
 assi 
   (( resid 67   and name  HN  ))
   (( resid 67   and name  HB2 ))
      2.845     1.045     1.045
 assi 
   (( resid 66   and name  HB1 ))
   (( resid 67   and name  HN  ))
      3.235     1.435     1.435
 assi 
   (( resid 67   and name  HN  ))
   (( resid 67   and name  HB1 ))
      2.845     1.045     1.045
 assi 
   (( resid 67   and name  HN  ))
   (( resid 67   and name  HG  ))
      3.220     1.420     1.420
 assi 
   (( resid 68   and name  HN  ))
   (( resid 69   and name  HN  ))
      2.740     0.940     0.940
 assi 
   (( resid 67   and name  HN  ))
   (( resid 68   and name  HN  ))
      2.865     1.065     1.065
 assi 
   (( resid 65   and name  HA  ))
   (( resid 68   and name  HN  ))
      3.255     1.455     1.455
 assi 
   (( resid 64   and name  HA  ))
   (( resid 68   and name  HN  ))
      3.360     1.560     1.560
 assi 
   (( resid 68   and name  HN  ))
   (( resid 68   and name  HB2 ))
      2.980     1.180     1.180
 assi 
   (( resid 67   and name  HB2 ))
   (( resid 68   and name  HN  ))
      3.115     1.315     1.315
 assi 
   (( resid 68   and name  HN  ))
   (( resid 69   and name  HB2 ))
      3.390     1.590     1.590
 assi 
   (( resid 67   and name  HB1 ))
   (( resid 68   and name  HN  ))
      3.115     1.315     1.315
 assi 
   (( resid 67   and name  HG  ))
   (( resid 68   and name  HN  ))
      3.485     1.685     1.685
 assi 
   (  resid 64   and name  HG1#)
   (( resid 68   and name  HN  ))
      3.245     1.445     1.445
 assi 
   (( resid 66   and name  HA  ))
   (( resid 69   and name  HN  ))
      3.260     1.460     1.460
 assi 
   (( resid 68   and name  HB2 ))
   (( resid 69   and name  HN  ))
      3.140     1.340     1.340
 assi 
   (( resid 66   and name  HB2 ))
   (( resid 69   and name  HN  ))
      3.500     1.700     1.700
 assi 
   (( resid 69   and name  HN  ))
   (( resid 69   and name  HB2 ))
      2.690     0.890     0.890
 assi 
   (( resid 69   and name  HN  ))
   (( resid 69   and name  HB1 ))
      2.810     1.010     1.010
 assi 
   (( resid 69   and name  HN  ))
   (( resid 69   and name  HG1 ))
      3.185     1.385     1.385
 assi 
   (( resid 69   and name  HN  ))
   (( resid 70   and name  HN  ))
      2.685     0.885     0.885
 assi 
   (( resid 70   and name  HN  ))
   (( resid 71   and name  HN  ))
      2.680     0.880     0.880
 assi 
   (( resid 69   and name  HB1 ))
   (( resid 70   and name  HN  ))
      2.880     1.080     1.080
 assi 
   (( resid 70   and name  HN  ))
   (( resid 70   and name  HG1 ))
      3.165     1.365     1.365
 assi 
   (( resid 70   and name  HN  ))
   (( resid 70   and name  HB2 ))
      2.710     0.910     0.910
 assi 
   (( resid 70   and name  HN  ))
   (( resid 70   and name  HB1 ))
      2.770     0.970     0.970
 assi 
   (( resid 70   and name  HN  ))
   (( resid 70   and name  HG2 ))
      2.650     0.850     0.850
 assi 
   (  resid 24   and name  HB# )
   (( resid 70   and name  HN  ))
      3.580     1.780     1.780
 assi 
   (( resid 71   and name  HN  ))
   (( resid 71   and name  HG  ))
      2.850     1.050     1.050
 assi 
   (  resid 28   and name  HD2#)
   (( resid 71   and name  HN  ))
      3.650     1.850     1.850
 assi 
   (( resid 71   and name  HN  ))
   (( resid 72   and name  HN  ))
      2.800     1.000     1.000
 assi 
   (( resid 72   and name  HN  ))
   (( resid 73   and name  HN  ))
      2.725     0.925     0.925
 assi 
   (( resid 70   and name  HA  ))
   (( resid 72   and name  HN  ))
      3.490     1.690     1.690
 assi 
   (( resid 69   and name  HA  ))
   (( resid 72   and name  HN  ))
      2.985     1.185     1.185
 assi 
   (( resid 68   and name  HA  ))
   (( resid 72   and name  HN  ))
      3.285     1.485     1.485
 assi 
   (( resid 72   and name  HN  ))
   (( resid 72   and name  HB1 ))
      2.595     0.795     0.795
 assi 
   (( resid 72   and name  HN  ))
   (( resid 72   and name  HB2 ))
      2.600     0.800     0.800
 assi 
   (( resid 71   and name  HB1 ))
   (( resid 72   and name  HN  ))
      3.080     1.280     1.280
 assi 
   (( resid 71   and name  HB2 ))
   (( resid 72   and name  HN  ))
      3.080     1.280     1.280
 assi 
   (  resid 49   and name  HD1#)
   (( resid 72   and name  HN  ))
      3.100     1.300     1.300
 assi 
   (( resid 73   and name  HN  ))
   (( resid 73   and name  HB  ))
      2.595     0.795     0.795
 assi 
   (( resid 70   and name  HA  ))
   (( resid 73   and name  HN  ))
      3.025     1.225     1.225
 assi 
   (( resid 71   and name  HA  ))
   (( resid 73   and name  HN  ))
      3.350     1.550     1.550
 assi 
   (( resid 72   and name  HB1 ))
   (( resid 73   and name  HN  ))
      2.635     0.835     0.835
 assi 
   (  resid 53   and name  HB# )
   (( resid 55   and name  HN  ))
      3.330     1.530     1.530
 assi 
   (( resid 73   and name  HB  ))
   (( resid 74   and name  HN  ))
      2.800     1.000     1.000
 assi 
   (( resid 71   and name  HA  ))
   (( resid 74   and name  HN  ))
      2.950     1.150     1.150
 assi 
   (( resid 74   and name  HN  ))
   (( resid 74   and name  HB2 ))
      2.910     1.110     1.110
 assi 
   (( resid 74   and name  HN  ))
   (( resid 74   and name  HB1 ))
      2.910     1.110     1.110
 assi 
   (  resid 24   and name  HB# )
   (( resid 74   and name  HN  ))
      2.995     1.195     1.195
 assi 
   (( resid 74   and name  HN  ))
   (( resid 74   and name  HG  ))
      3.110     1.310     1.310
 assi 
   (( resid 74   and name  HN  ))
   (( resid 75   and name  HN  ))
      2.870     1.070     1.070
 assi 
   (( resid 72   and name  HA  ))
   (( resid 75   and name  HN  ))
      2.960     1.160     1.160
 assi 
   (( resid 75   and name  HN  ))
   (( resid 75   and name  HB1 ))
      2.810     1.010     1.010
 assi 
   (( resid 75   and name  HN  ))
   (( resid 75   and name  HB2 ))
      2.810     1.010     1.010
 assi 
   (( resid 74   and name  HB2 ))
   (( resid 75   and name  HN  ))
      3.080     1.280     1.280
 assi 
   (( resid 74   and name  HG  ))
   (( resid 75   and name  HN  ))
      3.530     1.730     1.730
 assi 
   (( resid 74   and name  HB1 ))
   (( resid 75   and name  HN  ))
      3.080     1.280     1.280
 assi 
   (( resid 75   and name  HN  ))
   (( resid 75   and name  HD21))
      3.650     1.850     1.850
 assi 
   (( resid 72   and name  HA  ))
   (( resid 75   and name  HD21))
      3.350     1.550     1.550
 assi 
   (( resid 49   and name  HG12))
   (( resid 75   and name  HD21))
      3.440     1.640     1.640
 assi 
   (( resid 75   and name  HN  ))
   (( resid 75   and name  HD22))
      3.650     1.850     1.850
 assi 
   (( resid 72   and name  HA  ))
   (( resid 75   and name  HD22))
      3.350     1.550     1.550
 assi 
   (( resid 49   and name  HG12))
   (( resid 75   and name  HD22))
      3.440     1.640     1.640
 assi 
   (( resid 49   and name  HG11))
   (( resid 75   and name  HD22))
      3.375     1.575     1.575
 assi 
   (( resid 76   and name  HN  ))
   (( resid 77   and name  HN  ))
      2.715     0.915     0.915
 assi 
   (( resid 75   and name  HN  ))
   (( resid 76   and name  HN  ))
      2.835     1.035     1.035
 assi 
   (( resid 73   and name  HA  ))
   (( resid 76   and name  HN  ))
      3.130     1.330     1.330
 assi 
   (( resid 75   and name  HB1 ))
   (( resid 76   and name  HN  ))
      2.940     1.140     1.140
 assi 
   (( resid 75   and name  HB2 ))
   (( resid 76   and name  HN  ))
      2.940     1.140     1.140
 assi 
   (( resid 76   and name  HN  ))
   (( resid 76   and name  HB2 ))
      2.660     0.860     0.860
 assi 
   (( resid 76   and name  HN  ))
   (( resid 76   and name  HB1 ))
      2.660     0.860     0.860
 assi 
   (( resid 76   and name  HN  ))
   (( resid 76   and name  HG1 ))
      3.250     1.450     1.450
 assi 
   (( resid 76   and name  HN  ))
   (( resid 76   and name  HG2 ))
      3.250     1.450     1.450
 assi 
   (( resid 74   and name  HA  ))
   (( resid 77   and name  HN  ))
      3.055     1.255     1.255
 assi 
   (( resid 77   and name  HN  ))
   (  resid 77   and name  HB# )
      2.675     0.875     0.875
 assi 
   (( resid 76   and name  HB2 ))
   (( resid 77   and name  HN  ))
      3.030     1.230     1.230
 assi 
   (( resid 76   and name  HB1 ))
   (( resid 77   and name  HN  ))
      3.030     1.230     1.230
 assi 
   (( resid 78   and name  HN  ))
   (( resid 79   and name  HN  ))
      2.770     0.970     0.970
 assi 
   (( resid 76   and name  HN  ))
   (( resid 78   and name  HN  ))
      3.280     1.480     1.480
 assi 
   (( resid 77   and name  HN  ))
   (( resid 78   and name  HN  ))
      2.545     0.745     0.745
 assi 
   (( resid 75   and name  HA  ))
   (( resid 78   and name  HN  ))
      3.530     1.730     1.730
 assi 
   (( resid 76   and name  HA  ))
   (( resid 78   and name  HN  ))
      3.290     1.490     1.490
 assi 
   (  resid 77   and name  HB# )
   (( resid 78   and name  HN  ))
      2.820     1.020     1.020
 assi 
   (( resid 76   and name  HA  ))
   (( resid 79   and name  HN  ))
      3.085     1.285     1.285
 assi 
   (( resid 79   and name  HN  ))
   (  resid 79   and name  HB# )
      2.605     0.805     0.805
 assi 
   (  resid 79   and name  HB# )
   (( resid 80   and name  HN  ))
      3.160     1.360     1.360
 assi 
   (( resid 80   and name  HN  ))
   (( resid 80   and name  HG1 ))
      3.270     1.470     1.470
 assi 
   (( resid 80   and name  HN  ))
   (( resid 80   and name  HG2 ))
      3.270     1.470     1.470
 assi 
   (( resid 80   and name  HN  ))
   (( resid 80   and name  HB1 ))
      2.970     1.170     1.170
 assi 
   (( resid 80   and name  HN  ))
   (( resid 80   and name  HB2 ))
      2.970     1.170     1.170
 assi 
   (( resid 80   and name  HB1 ))
   (( resid 81   and name  HN  ))
      3.395     1.595     1.595
 assi 
   (( resid 80   and name  HB2 ))
   (( resid 81   and name  HN  ))
      3.395     1.595     1.595
 assi 
   (( resid 81   and name  HN  ))
   (( resid 81   and name  HB2 ))
      2.950     1.150     1.150
 assi 
   (( resid 81   and name  HN  ))
   (( resid 81   and name  HB1 ))
      2.950     1.150     1.150
 assi 
   (( resid 81   and name  HN  ))
   (  resid 81   and name  HG# )
      2.915     1.115     1.115
 assi 
   (( resid 11   and name  HN  ))
   (( resid 11   and name  HB1 ))
      2.915     1.115     1.115
 assi 
   (  resid 40   and name  HE# )
   (( resid 78   and name  HN  ))
      3.200     1.400     1.400
 assi 
   (  resid 31   and name  HB# )
   (  resid 33   and name  HE# )
      3.155     1.355     1.355
 assi 
   (( resid 40   and name  HA  ))
   (  resid 45   and name  HE# )
      2.920     1.120     1.120
 assi 
   (( resid 45   and name  HN  ))
   (  resid 45   and name  HD# )
      2.830     1.030     1.030
 assi 
   (  resid 40   and name  HD# )
   (  resid 45   and name  HD# )
      3.020     1.220     1.220
 assi 
   (  resid 45   and name  HD# )
   (( resid 74   and name  HB1 ))
      3.045     1.245     1.245
 assi 
   (  resid 45   and name  HD# )
   (( resid 74   and name  HB2 ))
      3.045     1.245     1.245
 assi 
   (( resid 33   and name  HB2 ))
   (  resid 36   and name  HD# )
      2.745     0.945     0.945
 assi 
   (  resid 40   and name  HD# )
   (( resid 45   and name  HB2 ))
      2.945     1.145     1.145
 assi 
   (  resid 40   and name  HE# )
   (( resid 45   and name  HB2 ))
      3.515     1.715     1.715
 assi 
   (( resid 11   and name  HN  ))
   (  resid 11   and name  HB# )
      2.600     0.800     0.800
 assi 
   (( resid 11   and name  HA  ))
   (  resid 11   and name  HD# )
      2.520     0.720     0.720
 assi 
   (  resid 11   and name  HB# )
   (  resid 11   and name  HD# )
      2.295     0.495     0.495
 assi 
   (  resid 11   and name  HB# )
   (( resid 12   and name  HN  ))
      3.000     1.200     1.200
 assi 
   (( resid 12   and name  HN  ))
   (  resid 12   and name  HG# )
      2.675     0.875     0.875
 assi 
   (( resid 12   and name  HA  ))
   (  resid 12   and name  HG# )
      2.390     0.590     0.590
 assi 
   (( resid 12   and name  HA  ))
   (  resid 13   and name  HG# )
      3.160     1.360     1.360
 assi 
   (( resid 12   and name  HA  ))
   (  resid 13   and name  HD# )
      2.255     0.455     0.455
 assi 
   (( resid 12   and name  HB  ))
   (  resid 13   and name  HD# )
      3.305     1.505     1.505
 assi 
   (  resid 12   and name  HG# )
   (  resid 13   and name  HD# )
      2.890     1.090     1.090
 assi 
   (  resid 13   and name  HB# )
   (( resid 14   and name  HN  ))
      2.880     1.080     1.080
 assi 
   (( resid 14   and name  HN  ))
   (  resid 14   and name  HB# )
      2.665     0.865     0.865
 assi 
   (( resid 14   and name  HN  ))
   (  resid 14   and name  HG# )
      3.225     1.425     1.425
 assi 
   (  resid 14   and name  HB# )
   (  resid 14   and name  HD# )
      2.670     0.870     0.870
 assi 
   (  resid 14   and name  HB# )
   (( resid 15   and name  HN  ))
      3.075     1.275     1.275
 assi 
   (  resid 16   and name  HB# )
   (( resid 19   and name  HB  ))
      3.050     1.250     1.250
 assi 
   (  resid 16   and name  HB# )
   (  resid 19   and name  HG2#)
      3.130     1.330     1.330
 assi 
   (( resid 17   and name  HA  ))
   (  resid 17   and name  HG# )
      2.665     0.865     0.865
 assi 
   (( resid 17   and name  HA  ))
   (  resid 17   and name  HE2#)
      3.265     1.465     1.465
 assi 
   (( resid 17   and name  HA  ))
   (  resid 20   and name  HB# )
      3.515     1.715     1.715
 assi 
   (  resid 17   and name  HG# )
   (  resid 17   and name  HE2#)
      2.495     0.695     0.695
 assi 
   (( resid 18   and name  HA  ))
   (  resid 18   and name  HG# )
      2.650     0.850     0.850
 assi 
   (  resid 18   and name  HG# )
   (( resid 19   and name  HN  ))
      3.120     1.320     1.320
 assi 
   (( resid 19   and name  HN  ))
   (  resid 19   and name  HG1#)
      2.590     0.790     0.790
 assi 
   (( resid 19   and name  HN  ))
   (  resid 20   and name  HB# )
      3.225     1.425     1.425
 assi 
   (  resid 19   and name  HG2#)
   (  resid 19   and name  HG1#)
      2.395     0.595     0.595
 assi 
   (  resid 19   and name  HG2#)
   (  resid 23   and name  HG# )
      3.110     1.310     1.310
 assi 
   (  resid 19   and name  HG1#)
   (( resid 20   and name  HN  ))
      3.310     1.510     1.510
 assi 
   (( resid 20   and name  HN  ))
   (  resid 20   and name  HB# )
      2.465     0.665     0.665
 assi 
   (( resid 20   and name  HN  ))
   (  resid 20   and name  HG# )
      2.710     0.910     0.910
 assi 
   (( resid 20   and name  HA  ))
   (  resid 20   and name  HG# )
      2.705     0.905     0.905
 assi 
   (  resid 20   and name  HB# )
   (( resid 21   and name  HN  ))
      2.675     0.875     0.875
 assi 
   (  resid 20   and name  HB# )
   (( resid 21   and name  HA  ))
      3.315     1.515     1.515
 assi 
   (  resid 20   and name  HB# )
   (( resid 73   and name  HB  ))
      3.570     1.770     1.770
 assi 
   (  resid 20   and name  HB# )
   (  resid 73   and name  HG2#)
      2.680     0.880     0.880
 assi 
   (  resid 20   and name  HG# )
   (  resid 73   and name  HG2#)
      3.415     1.615     1.615
 assi 
   (( resid 21   and name  HN  ))
   (  resid 74   and name  HD# )
      3.060     1.260     1.260
 assi 
   (( resid 21   and name  HA  ))
   (  resid 74   and name  HD# )
      2.530     0.730     0.730
 assi 
   (  resid 21   and name  HB# )
   (  resid 74   and name  HD# )
      2.460     0.660     0.660
 assi 
   (( resid 22   and name  HA  ))
   (  resid 25   and name  HB# )
      2.870     1.070     1.070
 assi 
   (( resid 23   and name  HN  ))
   (  resid 23   and name  HG# )
      2.585     0.785     0.785
 assi 
   (( resid 23   and name  HA  ))
   (  resid 23   and name  HG# )
      2.550     0.750     0.750
 assi 
   (( resid 23   and name  HA  ))
   (  resid 26   and name  HB# )
      2.645     0.845     0.845
 assi 
   (  resid 23   and name  HG# )
   (( resid 24   and name  HN  ))
      3.195     1.395     1.395
 assi 
   (( resid 24   and name  HN  ))
   (  resid 74   and name  HD# )
      3.490     1.690     1.690
 assi 
   (( resid 24   and name  HA  ))
   (  resid 70   and name  HD# )
      2.870     1.070     1.070
 assi 
   (  resid 24   and name  HB# )
   (  resid 28   and name  HD# )
      2.930     1.130     1.130
 assi 
   (  resid 24   and name  HB# )
   (  resid 70   and name  HD# )
      2.850     1.050     1.050
 assi 
   (  resid 24   and name  HB# )
   (  resid 74   and name  HB# )
      3.290     1.490     1.490
 assi 
   (  resid 24   and name  HB# )
   (  resid 74   and name  HD# )
      2.255     0.455     0.455
 assi 
   (( resid 25   and name  HN  ))
   (  resid 25   and name  HB# )
      2.590     0.790     0.790
 assi 
   (( resid 25   and name  HN  ))
   (  resid 70   and name  HD# )
      3.570     1.770     1.770
 assi 
   (( resid 25   and name  HN  ))
   (  resid 74   and name  HD# )
      2.935     1.135     1.135
 assi 
   (( resid 25   and name  HA  ))
   (  resid 28   and name  HB# )
      2.935     1.135     1.135
 assi 
   (( resid 25   and name  HA  ))
   (  resid 28   and name  HD# )
      2.655     0.855     0.855
 assi 
   (( resid 25   and name  HA  ))
   (  resid 74   and name  HD# )
      3.225     1.425     1.425
 assi 
   (  resid 25   and name  HB# )
   (( resid 26   and name  HN  ))
      2.675     0.875     0.875
 assi 
   (  resid 25   and name  HB# )
   (  resid 37   and name  HB# )
      2.765     0.965     0.965
 assi 
   (( resid 26   and name  HN  ))
   (  resid 26   and name  HB# )
      2.500     0.700     0.700
 assi 
   (  resid 26   and name  HB# )
   (( resid 27   and name  HN  ))
      2.665     0.865     0.865
 assi 
   (( resid 27   and name  HN  ))
   (  resid 28   and name  HD# )
      3.420     1.620     1.620
 assi 
   (( resid 27   and name  HB1 ))
   (  resid 28   and name  HD# )
      3.450     1.650     1.650
 assi 
   (( resid 27   and name  HE3 ))
   (  resid 28   and name  HD# )
      2.565     0.765     0.765
 assi 
   (( resid 27   and name  HE1 ))
   (  resid 63   and name  HD# )
      3.275     1.475     1.475
 assi 
   (( resid 27   and name  HZ2 ))
   (  resid 63   and name  HD# )
      2.895     1.095     1.095
 assi 
   (( resid 27   and name  HZ2 ))
   (  resid 66   and name  HG# )
      3.150     1.350     1.350
 assi 
   (( resid 27   and name  HH2 ))
   (  resid 63   and name  HD# )
      2.925     1.125     1.125
 assi 
   (( resid 27   and name  HH2 ))
   (  resid 66   and name  HG# )
      3.265     1.465     1.465
 assi 
   (( resid 28   and name  HN  ))
   (  resid 28   and name  HB# )
      2.615     0.815     0.815
 assi 
   (( resid 28   and name  HA  ))
   (  resid 28   and name  HD# )
      2.480     0.680     0.680
 assi 
   (  resid 28   and name  HB# )
   (( resid 29   and name  HN  ))
      2.595     0.795     0.795
 assi 
   (  resid 28   and name  HB# )
   (( resid 29   and name  HA  ))
      3.045     1.245     1.245
 assi 
   (  resid 28   and name  HB# )
   (( resid 37   and name  HN  ))
      3.165     1.365     1.365
 assi 
   (  resid 28   and name  HB# )
   (( resid 37   and name  HA  ))
      3.190     1.390     1.390
 assi 
   (  resid 28   and name  HB# )
   (  resid 37   and name  HB# )
      2.555     0.755     0.755
 assi 
   (  resid 28   and name  HD# )
   (  resid 31   and name  HB# )
      2.925     1.125     1.125
 assi 
   (  resid 28   and name  HD# )
   (( resid 33   and name  HB2 ))
      2.725     0.925     0.925
 assi 
   (  resid 28   and name  HD# )
   (( resid 33   and name  HB1 ))
      2.915     1.115     1.115
 assi 
   (  resid 28   and name  HD# )
   (( resid 36   and name  HN  ))
      3.620     1.820     1.820
 assi 
   (  resid 28   and name  HD# )
   (  resid 36   and name  HB# )
      2.545     0.745     0.745
 assi 
   (  resid 28   and name  HD# )
   (  resid 36   and name  HD# )
      2.555     0.755     0.755
 assi 
   (  resid 28   and name  HD# )
   (( resid 37   and name  HN  ))
      2.570     0.770     0.770
 assi 
   (  resid 28   and name  HD# )
   (( resid 37   and name  HA  ))
      2.805     1.005     1.005
 assi 
   (  resid 28   and name  HD# )
   (  resid 37   and name  HB# )
      2.755     0.955     0.955
 assi 
   (  resid 28   and name  HD# )
   (( resid 38   and name  HN  ))
      3.620     1.820     1.820
 assi 
   (  resid 28   and name  HD# )
   (  resid 67   and name  HD# )
      2.415     0.615     0.615
 assi 
   (  resid 28   and name  HD# )
   (( resid 71   and name  HN  ))
      3.230     1.430     1.430
 assi 
   (  resid 28   and name  HD# )
   (( resid 71   and name  HG  ))
      2.805     1.005     1.005
 assi 
   (  resid 28   and name  HD# )
   (  resid 71   and name  HD# )
      2.330     0.530     0.530
 assi 
   (  resid 28   and name  HD# )
   (  resid 74   and name  HD# )
      2.765     0.965     0.965
 assi 
   (( resid 29   and name  HA  ))
   (  resid 34   and name  HB# )
      3.230     1.430     1.430
 assi 
   (( resid 31   and name  HN  ))
   (  resid 32   and name  HA# )
      3.430     1.630     1.630
 assi 
   (  resid 31   and name  HB# )
   (  resid 32   and name  HA# )
      3.550     1.750     1.750
 assi 
   (  resid 31   and name  HB# )
   (  resid 63   and name  HD# )
      2.800     1.000     1.000
 assi 
   (( resid 33   and name  HB2 ))
   (  resid 67   and name  HD# )
      2.935     1.135     1.135
 assi 
   (( resid 33   and name  HB1 ))
   (  resid 67   and name  HD# )
      3.170     1.370     1.370
 assi 
   (  resid 33   and name  HD# )
   (  resid 67   and name  HB# )
      3.120     1.320     1.320
 assi 
   (  resid 33   and name  HD# )
   (  resid 67   and name  HD# )
      2.955     1.155     1.155
 assi 
   (  resid 33   and name  HE# )
   (  resid 63   and name  HD# )
      2.660     0.860     0.860
 assi 
   (  resid 33   and name  HE# )
   (  resid 67   and name  HD# )
      3.220     1.420     1.420
 assi 
   (  resid 34   and name  HB# )
   (( resid 35   and name  HN  ))
      2.860     1.060     1.060
 assi 
   (  resid 34   and name  HB# )
   (  resid 37   and name  HB# )
      3.255     1.455     1.455
 assi 
   (( resid 35   and name  HN  ))
   (  resid 35   and name  HB# )
      2.505     0.705     0.705
 assi 
   (( resid 35   and name  HA  ))
   (  resid 35   and name  HG# )
      2.765     0.965     0.965
 assi 
   (( resid 35   and name  HA  ))
   (  resid 38   and name  HG# )
      2.970     1.170     1.170
 assi 
   (  resid 35   and name  HB# )
   (  resid 35   and name  HE2#)
      2.995     1.195     1.195
 assi 
   (  resid 35   and name  HB# )
   (( resid 36   and name  HN  ))
      2.995     1.195     1.195
 assi 
   (  resid 35   and name  HG# )
   (  resid 35   and name  HE2#)
      2.450     0.650     0.650
 assi 
   (  resid 35   and name  HG# )
   (( resid 36   and name  HN  ))
      2.960     1.160     1.160
 assi 
   (  resid 35   and name  HE2#)
   (  resid 36   and name  HD# )
      3.115     1.315     1.315
 assi 
   (  resid 35   and name  HE2#)
   (  resid 39   and name  HD# )
      3.190     1.390     1.390
 assi 
   (( resid 36   and name  HN  ))
   (  resid 36   and name  HB# )
      2.625     0.825     0.825
 assi 
   (( resid 36   and name  HA  ))
   (  resid 39   and name  HB# )
      3.120     1.320     1.320
 assi 
   (  resid 36   and name  HB# )
   (( resid 37   and name  HN  ))
      2.785     0.985     0.985
 assi 
   (  resid 36   and name  HB# )
   (  resid 71   and name  HD# )
      2.570     0.770     0.770
 assi 
   (  resid 36   and name  HD# )
   (  resid 39   and name  HB# )
      3.215     1.415     1.415
 assi 
   (  resid 36   and name  HD# )
   (  resid 39   and name  HD# )
      2.785     0.985     0.985
 assi 
   (  resid 36   and name  HD# )
   (  resid 52   and name  HG# )
      3.110     1.310     1.310
 assi 
   (  resid 36   and name  HD# )
   (  resid 67   and name  HD# )
      2.605     0.805     0.805
 assi 
   (  resid 36   and name  HD# )
   (  resid 71   and name  HD# )
      2.760     0.960     0.960
 assi 
   (  resid 36   and name  HE# )
   (  resid 52   and name  HG# )
      2.945     1.145     1.145
 assi 
   (  resid 36   and name  HE# )
   (  resid 67   and name  HB# )
      3.570     1.770     1.770
 assi 
   (  resid 36   and name  HE# )
   (  resid 67   and name  HD# )
      2.575     0.775     0.775
 assi 
   (  resid 36   and name  HE# )
   (  resid 71   and name  HD# )
      3.260     1.460     1.460
 assi 
   (( resid 37   and name  HN  ))
   (  resid 71   and name  HD# )
      3.215     1.415     1.415
 assi 
   (( resid 37   and name  HA  ))
   (  resid 40   and name  HB# )
      2.985     1.185     1.185
 assi 
   (( resid 37   and name  HA  ))
   (  resid 74   and name  HD# )
      3.035     1.235     1.235
 assi 
   (  resid 37   and name  HB# )
   (  resid 38   and name  HG# )
      3.230     1.430     1.430
 assi 
   (( resid 38   and name  HN  ))
   (  resid 38   and name  HG# )
      2.730     0.930     0.930
 assi 
   (( resid 39   and name  HN  ))
   (  resid 39   and name  HB# )
      2.500     0.700     0.700
 assi 
   (( resid 39   and name  HN  ))
   (  resid 39   and name  HD# )
      2.685     0.885     0.885
 assi 
   (( resid 39   and name  HA  ))
   (  resid 39   and name  HD# )
      2.450     0.650     0.650
 assi 
   (( resid 39   and name  HA  ))
   (  resid 42   and name  HB# )
      2.650     0.850     0.850
 assi 
   (( resid 39   and name  HA  ))
   (  resid 44   and name  HG# )
      3.255     1.455     1.455
 assi 
   (  resid 39   and name  HB# )
   (  resid 39   and name  HD# )
      2.250     0.450     0.450
 assi 
   (  resid 39   and name  HB# )
   (( resid 40   and name  HN  ))
      2.750     0.950     0.950
 assi 
   (  resid 39   and name  HB# )
   (( resid 44   and name  HN  ))
      3.315     1.515     1.515
 assi 
   (  resid 39   and name  HB# )
   (  resid 44   and name  HG# )
      3.360     1.560     1.560
 assi 
   (  resid 39   and name  HB# )
   (  resid 45   and name  HE# )
      2.845     1.045     1.045
 assi 
   (( resid 39   and name  HG  ))
   (  resid 42   and name  HB# )
      3.570     1.770     1.770
 assi 
   (  resid 39   and name  HD# )
   (( resid 40   and name  HN  ))
      3.265     1.465     1.465
 assi 
   (  resid 39   and name  HD# )
   (  resid 42   and name  HB# )
      3.050     1.250     1.250
 assi 
   (  resid 39   and name  HD# )
   (( resid 44   and name  HN  ))
      3.260     1.460     1.460
 assi 
   (  resid 39   and name  HD# )
   (  resid 44   and name  HB# )
      2.455     0.655     0.655
 assi 
   (  resid 39   and name  HD# )
   (  resid 44   and name  HG# )
      2.670     0.870     0.870
 assi 
   (  resid 39   and name  HD# )
   (  resid 44   and name  HE2#)
      3.415     1.615     1.615
 assi 
   (  resid 39   and name  HD# )
   (  resid 45   and name  HE# )
      3.620     1.820     1.820
 assi 
   (  resid 40   and name  HB# )
   (( resid 41   and name  HN  ))
      2.740     0.940     0.940
 assi 
   (  resid 40   and name  HB# )
   (  resid 45   and name  HD# )
      3.180     1.380     1.380
 assi 
   (  resid 40   and name  HB# )
   (  resid 74   and name  HD# )
      2.830     1.030     1.030
 assi 
   (  resid 40   and name  HD# )
   (  resid 41   and name  HG# )
      3.050     1.250     1.250
 assi 
   (  resid 40   and name  HE# )
   (  resid 74   and name  HB# )
      3.260     1.460     1.460
 assi 
   (  resid 40   and name  HE# )
   (  resid 74   and name  HD# )
      2.915     1.115     1.115
 assi 
   (( resid 41   and name  HN  ))
   (  resid 41   and name  HB# )
      2.525     0.725     0.725
 assi 
   (( resid 41   and name  HN  ))
   (  resid 41   and name  HG# )
      2.540     0.740     0.740
 assi 
   (( resid 41   and name  HN  ))
   (  resid 74   and name  HD# )
      3.620     1.820     1.820
 assi 
   (( resid 41   and name  HA  ))
   (  resid 41   and name  HG# )
      2.600     0.800     0.800
 assi 
   (  resid 41   and name  HB# )
   (( resid 42   and name  HN  ))
      2.735     0.935     0.935
 assi 
   (  resid 41   and name  HB# )
   (( resid 43   and name  HN  ))
      3.535     1.735     1.735
 assi 
   (  resid 41   and name  HG# )
   (( resid 42   and name  HN  ))
      3.570     1.770     1.770
 assi 
   (( resid 42   and name  HN  ))
   (  resid 42   and name  HB# )
      2.440     0.640     0.640
 assi 
   (( resid 42   and name  HN  ))
   (  resid 44   and name  HG# )
      3.570     1.770     1.770
 assi 
   (  resid 42   and name  HB# )
   (( resid 44   and name  HN  ))
      3.185     1.385     1.385
 assi 
   (  resid 42   and name  HB# )
   (  resid 44   and name  HG# )
      2.655     0.855     0.855
 assi 
   (  resid 42   and name  HB# )
   (  resid 44   and name  HE2#)
      3.290     1.490     1.490
 assi 
   (( resid 43   and name  HN  ))
   (  resid 43   and name  HB# )
      2.710     0.910     0.910
 assi 
   (( resid 43   and name  HN  ))
   (  resid 44   and name  HB# )
      3.570     1.770     1.770
 assi 
   (( resid 44   and name  HN  ))
   (  resid 44   and name  HB# )
      2.570     0.770     0.770
 assi 
   (( resid 44   and name  HN  ))
   (  resid 44   and name  HG# )
      2.755     0.955     0.955
 assi 
   (( resid 44   and name  HA  ))
   (  resid 44   and name  HG# )
      2.715     0.915     0.915
 assi 
   (  resid 44   and name  HB# )
   (  resid 45   and name  HD# )
      3.400     1.600     1.600
 assi 
   (  resid 44   and name  HG# )
   (  resid 44   and name  HE2#)
      2.495     0.695     0.695
 assi 
   (( resid 45   and name  HA  ))
   (  resid 47   and name  HG1#)
      3.305     1.505     1.505
 assi 
   (( resid 45   and name  HB2 ))
   (  resid 74   and name  HD# )
      3.325     1.525     1.525
 assi 
   (  resid 45   and name  HD# )
   (  resid 71   and name  HD# )
      3.495     1.695     1.695
 assi 
   (  resid 45   and name  HD# )
   (  resid 74   and name  HB# )
      2.735     0.935     0.935
 assi 
   (  resid 45   and name  HE# )
   (  resid 71   and name  HD# )
      2.800     1.000     1.000
 assi 
   (  resid 45   and name  HE# )
   (  resid 74   and name  HD# )
      2.935     1.135     1.135
 assi 
   (  resid 46   and name  HD# )
   (  resid 78   and name  HB# )
      2.635     0.835     0.835
 assi 
   (( resid 47   and name  HN  ))
   (  resid 47   and name  HG1#)
      2.750     0.950     0.950
 assi 
   (( resid 47   and name  HN  ))
   (( resid 75   and name  HD22))
      3.200     1.400     1.400
 or 
   (( resid 47   and name  HN  ))
   (( resid 75   and name  HD21))
 assi 
   (( resid 47   and name  HA  ))
   (  resid 47   and name  HG1#)
      2.675     0.875     0.875
 assi 
   (( resid 47   and name  HA  ))
   (  resid 48   and name  HB# )
      3.220     1.420     1.420
 assi 
   (  resid 47   and name  HG2#)
   (  resid 47   and name  HG1#)
      2.485     0.685     0.685
 assi 
   (  resid 47   and name  HG1#)
   (( resid 48   and name  HN  ))
      3.010     1.210     1.210
 assi 
   (  resid 47   and name  HG1#)
   (( resid 49   and name  HA  ))
      3.420     1.620     1.620
 assi 
   (  resid 47   and name  HG1#)
   (( resid 49   and name  HG11))
      3.175     1.375     1.375
 assi 
   (  resid 48   and name  HB# )
   (( resid 49   and name  HN  ))
      3.045     1.245     1.245
 assi 
   (  resid 48   and name  HB# )
   (  resid 51   and name  HB# )
      2.620     0.820     0.820
 assi 
   (( resid 48   and name  HD22))
   (  resid 51   and name  HB# )
      2.800     1.000     1.000
 or 
   (( resid 48   and name  HD21))
   (  resid 51   and name  HB# )
 assi 
   (( resid 49   and name  HN  ))
   (( resid 75   and name  HD22))
      3.520     1.720     1.720
 or 
   (( resid 49   and name  HN  ))
   (( resid 75   and name  HD21))
 assi 
   (( resid 49   and name  HA  ))
   (  resid 52   and name  HG# )
      2.540     0.740     0.740
 assi 
   (( resid 49   and name  HB  ))
   (  resid 50   and name  HG# )
      2.710     0.910     0.910
 assi 
   (  resid 49   and name  HG2#)
   (  resid 52   and name  HG# )
      2.420     0.620     0.620
 assi 
   (  resid 49   and name  HG2#)
   (  resid 68   and name  HB# )
      3.065     1.265     1.265
 assi 
   (( resid 49   and name  HG12))
   (( resid 75   and name  HD22))
      3.020     1.220     1.220
 or 
   (( resid 49   and name  HG12))
   (( resid 75   and name  HD21))
 assi 
   (( resid 49   and name  HG11))
   (  resid 71   and name  HB# )
      3.005     1.205     1.205
 assi 
   (( resid 49   and name  HG11))
   (( resid 75   and name  HD22))
      2.990     1.190     1.190
 or 
   (( resid 49   and name  HG11))
   (( resid 75   and name  HD21))
 assi 
   (  resid 49   and name  HD1#)
   (  resid 71   and name  HB# )
      2.480     0.680     0.680
 assi 
   (  resid 49   and name  HD1#)
   (  resid 75   and name  HB# )
      3.030     1.230     1.230
 assi 
   (( resid 50   and name  HN  ))
   (  resid 50   and name  HG# )
      2.365     0.565     0.565
 assi 
   (( resid 50   and name  HA  ))
   (  resid 50   and name  HG# )
      2.380     0.580     0.580
 assi 
   (  resid 50   and name  HG# )
   (( resid 51   and name  HA  ))
      3.035     1.235     1.235
 assi 
   (  resid 50   and name  HG# )
   (  resid 53   and name  HG# )
      2.945     1.145     1.145
 assi 
   (  resid 50   and name  HG# )
   (  resid 53   and name  HE# )
      2.975     1.175     1.175
 assi 
   (  resid 50   and name  HG# )
   (( resid 54   and name  HN  ))
      3.315     1.515     1.515
 assi 
   (  resid 50   and name  HG# )
   (  resid 54   and name  HD2#)
      2.680     0.880     0.880
 assi 
   (( resid 51   and name  HN  ))
   (  resid 52   and name  HG# )
      3.010     1.210     1.210
 assi 
   (( resid 51   and name  HA  ))
   (  resid 54   and name  HB# )
      2.780     0.980     0.980
 assi 
   (( resid 51   and name  HA  ))
   (  resid 54   and name  HD2#)
      3.080     1.280     1.280
 assi 
   (  resid 51   and name  HB# )
   (  resid 52   and name  HG# )
      2.690     0.890     0.890
 assi 
   (  resid 51   and name  HB# )
   (  resid 54   and name  HB# )
      3.070     1.270     1.270
 assi 
   (( resid 52   and name  HN  ))
   (  resid 52   and name  HG# )
      2.385     0.585     0.585
 assi 
   (( resid 52   and name  HA  ))
   (  resid 55   and name  HB# )
      3.010     1.210     1.210
 assi 
   (  resid 52   and name  HG# )
   (( resid 53   and name  HN  ))
      2.585     0.785     0.785
 assi 
   (  resid 52   and name  HG# )
   (( resid 53   and name  HA  ))
      3.060     1.260     1.260
 assi 
   (  resid 52   and name  HG# )
   (  resid 53   and name  HB# )
      2.830     1.030     1.030
 assi 
   (  resid 52   and name  HG# )
   (  resid 53   and name  HG# )
      2.770     0.970     0.970
 assi 
   (  resid 52   and name  HG# )
   (( resid 67   and name  HG  ))
      3.620     1.820     1.820
 assi 
   (  resid 52   and name  HG# )
   (  resid 67   and name  HD# )
      2.725     0.925     0.925
 assi 
   (( resid 53   and name  HN  ))
   (  resid 53   and name  HG# )
      2.765     0.965     0.965
 assi 
   (  resid 53   and name  HB# )
   (  resid 67   and name  HD# )
      3.105     1.305     1.305
 assi 
   (  resid 53   and name  HG# )
   (( resid 54   and name  HN  ))
      3.190     1.390     1.390
 assi 
   (  resid 53   and name  HG# )
   (  resid 64   and name  HG1#)
      3.105     1.305     1.305
 assi 
   (  resid 53   and name  HD# )
   (  resid 67   and name  HD# )
      3.300     1.500     1.500
 assi 
   (( resid 54   and name  HN  ))
   (  resid 54   and name  HB# )
      2.485     0.685     0.685
 assi 
   (( resid 54   and name  HN  ))
   (  resid 55   and name  HB# )
      3.375     1.575     1.575
 assi 
   (  resid 54   and name  HB# )
   (  resid 54   and name  HD2#)
      2.430     0.630     0.630
 assi 
   (  resid 54   and name  HB# )
   (( resid 55   and name  HN  ))
      2.830     1.030     1.030
 assi 
   (( resid 55   and name  HN  ))
   (  resid 55   and name  HB# )
      2.475     0.675     0.675
 assi 
   (( resid 56   and name  HN  ))
   (  resid 56   and name  HB# )
      2.685     0.885     0.885
 assi 
   (( resid 57   and name  HN  ))
   (  resid 57   and name  HB# )
      2.470     0.670     0.670
 assi 
   (  resid 58   and name  HB# )
   (  resid 59   and name  HB# )
      3.225     1.425     1.425
 assi 
   (( resid 59   and name  HN  ))
   (  resid 59   and name  HB# )
      2.470     0.670     0.670
 assi 
   (( resid 59   and name  HN  ))
   (  resid 59   and name  HD# )
      3.065     1.265     1.265
 assi 
   (( resid 59   and name  HA  ))
   (  resid 59   and name  HD# )
      2.480     0.680     0.680
 assi 
   (  resid 59   and name  HB# )
   (  resid 59   and name  HD# )
      2.285     0.485     0.485
 assi 
   (  resid 59   and name  HD# )
   (( resid 60   and name  HN  ))
      2.865     1.065     1.065
 assi 
   (  resid 59   and name  HD# )
   (( resid 60   and name  HA  ))
      3.400     1.600     1.600
 assi 
   (( resid 60   and name  HN  ))
   (  resid 60   and name  HB# )
      2.575     0.775     0.775
 assi 
   (  resid 60   and name  HB# )
   (( resid 61   and name  HN  ))
      2.865     1.065     1.065
 assi 
   (  resid 60   and name  HB# )
   (  resid 61   and name  HB# )
      3.435     1.635     1.635
 assi 
   (  resid 60   and name  HB# )
   (  resid 63   and name  HB# )
      3.490     1.690     1.690
 assi 
   (  resid 60   and name  HG# )
   (  resid 63   and name  HB# )
      3.570     1.770     1.770
 assi 
   (  resid 61   and name  HB# )
   (  resid 62   and name  HB# )
      3.570     1.770     1.770
 assi 
   (( resid 62   and name  HN  ))
   (  resid 62   and name  HB# )
      2.535     0.735     0.735
 assi 
   (  resid 62   and name  HB# )
   (  resid 63   and name  HB# )
      3.235     1.435     1.435
 assi 
   (( resid 63   and name  HN  ))
   (  resid 63   and name  HD# )
      2.905     1.105     1.105
 assi 
   (( resid 63   and name  HN  ))
   (  resid 66   and name  HG# )
      3.575     1.775     1.775
 assi 
   (( resid 63   and name  HA  ))
   (  resid 63   and name  HD# )
      2.520     0.720     0.720
 assi 
   (( resid 63   and name  HA  ))
   (  resid 66   and name  HG# )
      2.880     1.080     1.080
 assi 
   (  resid 63   and name  HB# )
   (  resid 63   and name  HD# )
      2.285     0.485     0.485
 assi 
   (  resid 63   and name  HB# )
   (( resid 64   and name  HN  ))
      2.880     1.080     1.080
 assi 
   (  resid 63   and name  HB# )
   (  resid 64   and name  HG2#)
      3.055     1.255     1.255
 assi 
   (  resid 63   and name  HB# )
   (  resid 66   and name  HG# )
      3.200     1.400     1.400
 assi 
   (  resid 63   and name  HD# )
   (( resid 66   and name  HB2 ))
      2.985     1.185     1.185
 assi 
   (  resid 63   and name  HD# )
   (  resid 66   and name  HG# )
      3.430     1.630     1.630
 assi 
   (( resid 64   and name  HN  ))
   (  resid 66   and name  HD# )
      3.110     1.310     1.310
 assi 
   (( resid 64   and name  HA  ))
   (  resid 67   and name  HB# )
      2.590     0.790     0.790
 assi 
   (( resid 64   and name  HA  ))
   (  resid 67   and name  HD# )
      2.800     1.000     1.000
 assi 
   (  resid 64   and name  HG1#)
   (  resid 68   and name  HB# )
      3.450     1.650     1.650
 assi 
   (  resid 64   and name  HG2#)
   (  resid 67   and name  HD# )
      2.985     1.185     1.185
 assi 
   (( resid 65   and name  HN  ))
   (  resid 66   and name  HD# )
      2.455     0.655     0.655
 assi 
   (( resid 65   and name  HA  ))
   (  resid 65   and name  HG# )
      2.645     0.845     0.845
 assi 
   (( resid 65   and name  HA  ))
   (  resid 68   and name  HB# )
      3.065     1.265     1.265
 assi 
   (  resid 65   and name  HB# )
   (  resid 66   and name  HD# )
      2.640     0.840     0.840
 assi 
   (  resid 65   and name  HG# )
   (  resid 66   and name  HD# )
      2.945     1.145     1.145
 assi 
   (( resid 66   and name  HA  ))
   (  resid 69   and name  HG# )
      3.185     1.385     1.385
 assi 
   (( resid 66   and name  HA  ))
   (  resid 69   and name  HD# )
      3.095     1.295     1.295
 assi 
   (  resid 66   and name  HG# )
   (( resid 67   and name  HN  ))
      2.965     1.165     1.165
 assi 
   (( resid 67   and name  HN  ))
   (  resid 67   and name  HB# )
      2.535     0.735     0.735
 assi 
   (( resid 67   and name  HN  ))
   (  resid 67   and name  HD# )
      3.010     1.210     1.210
 assi 
   (( resid 67   and name  HA  ))
   (  resid 67   and name  HD# )
      2.490     0.690     0.690
 assi 
   (( resid 67   and name  HA  ))
   (  resid 71   and name  HD# )
      3.260     1.460     1.460
 assi 
   (  resid 67   and name  HB# )
   (  resid 67   and name  HD# )
      2.315     0.515     0.515
 assi 
   (  resid 67   and name  HB# )
   (( resid 68   and name  HN  ))
      2.680     0.880     0.880
 assi 
   (( resid 67   and name  HG  ))
   (  resid 71   and name  HB# )
      3.570     1.770     1.770
 assi 
   (( resid 67   and name  HG  ))
   (  resid 71   and name  HD# )
      2.955     1.155     1.155
 assi 
   (  resid 67   and name  HD# )
   (( resid 68   and name  HN  ))
      3.280     1.480     1.480
 assi 
   (  resid 67   and name  HD# )
   (( resid 71   and name  HN  ))
      3.160     1.360     1.360
 assi 
   (  resid 67   and name  HD# )
   (  resid 71   and name  HB# )
      3.300     1.500     1.500
 assi 
   (  resid 67   and name  HD# )
   (( resid 71   and name  HG  ))
      2.800     1.000     1.000
 assi 
   (  resid 67   and name  HD# )
   (  resid 71   and name  HD# )
      2.370     0.570     0.570
 assi 
   (( resid 68   and name  HN  ))
   (  resid 68   and name  HB# )
      2.680     0.880     0.880
 assi 
   (( resid 68   and name  HA  ))
   (  resid 71   and name  HB# )
      2.745     0.945     0.945
 assi 
   (( resid 68   and name  HA  ))
   (  resid 71   and name  HD# )
      2.870     1.070     1.070
 assi 
   (  resid 68   and name  HB# )
   (( resid 69   and name  HN  ))
      2.805     1.005     1.005
 assi 
   (( resid 69   and name  HN  ))
   (  resid 69   and name  HG# )
      2.855     1.055     1.055
 assi 
   (( resid 69   and name  HN  ))
   (  resid 70   and name  HD# )
      3.570     1.770     1.770
 assi 
   (( resid 69   and name  HA  ))
   (  resid 69   and name  HG# )
      2.640     0.840     0.840
 assi 
   (( resid 69   and name  HB1 ))
   (  resid 70   and name  HD# )
      2.930     1.130     1.130
 assi 
   (  resid 69   and name  HG# )
   (( resid 70   and name  HN  ))
      3.570     1.770     1.770
 assi 
   (( resid 70   and name  HN  ))
   (  resid 70   and name  HD# )
      2.755     0.955     0.955
 assi 
   (( resid 70   and name  HA  ))
   (  resid 70   and name  HD# )
      2.570     0.770     0.770
 assi 
   (( resid 71   and name  HN  ))
   (  resid 71   and name  HB# )
      2.500     0.700     0.700
 assi 
   (( resid 71   and name  HN  ))
   (  resid 71   and name  HD# )
      2.690     0.890     0.890
 assi 
   (( resid 71   and name  HA  ))
   (  resid 71   and name  HD# )
      2.470     0.670     0.670
 assi 
   (( resid 71   and name  HA  ))
   (  resid 74   and name  HB# )
      3.245     1.445     1.445
 assi 
   (( resid 71   and name  HA  ))
   (  resid 74   and name  HD# )
      3.010     1.210     1.210
 assi 
   (  resid 71   and name  HB# )
   (( resid 72   and name  HN  ))
      2.690     0.890     0.890
 assi 
   (  resid 71   and name  HD# )
   (( resid 74   and name  HN  ))
      3.555     1.755     1.755
 assi 
   (  resid 71   and name  HD# )
   (  resid 74   and name  HD# )
      2.895     1.095     1.095
 assi 
   (( resid 72   and name  HA  ))
   (  resid 75   and name  HB# )
      2.750     0.950     0.950
 assi 
   (( resid 72   and name  HA  ))
   (( resid 75   and name  HD22))
      3.040     1.240     1.240
 or 
   (( resid 72   and name  HA  ))
   (( resid 75   and name  HD21))
 assi 
   (( resid 73   and name  HA  ))
   (  resid 76   and name  HB# )
      2.905     1.105     1.105
 assi 
   (( resid 73   and name  HA  ))
   (  resid 76   and name  HG# )
      3.570     1.770     1.770
 assi 
   (( resid 73   and name  HB  ))
   (  resid 74   and name  HD# )
      3.030     1.230     1.230
 assi 
   (  resid 73   and name  HG2#)
   (  resid 74   and name  HD# )
      2.900     1.100     1.100
 assi 
   (  resid 73   and name  HG2#)
   (  resid 76   and name  HB# )
      3.570     1.770     1.770
 assi 
   (( resid 74   and name  HA  ))
   (  resid 74   and name  HD# )
      2.525     0.725     0.725
 assi 
   (  resid 74   and name  HD# )
   (( resid 75   and name  HN  ))
      3.365     1.565     1.565
 assi 
   (  resid 74   and name  HD# )
   (  resid 77   and name  HB# )
      3.060     1.260     1.260
 assi 
   (( resid 75   and name  HN  ))
   (  resid 75   and name  HB# )
      2.535     0.735     0.735
 assi 
   (  resid 75   and name  HB# )
   (( resid 75   and name  HD22))
      2.480     0.680     0.680
 or 
   (  resid 75   and name  HB# )
   (( resid 75   and name  HD21))
 assi 
   (  resid 75   and name  HB# )
   (( resid 76   and name  HN  ))
      2.690     0.890     0.890
 assi 
   (( resid 76   and name  HA  ))
   (  resid 76   and name  HG# )
      2.630     0.830     0.830
 assi 
   (  resid 76   and name  HB# )
   (( resid 77   and name  HN  ))
      2.700     0.900     0.900
 assi 
   (  resid 76   and name  HG# )
   (  resid 77   and name  HB# )
      3.570     1.770     1.770
 assi 
   (( resid 80   and name  HN  ))
   (  resid 80   and name  HB# )
      2.585     0.785     0.785
 assi 
   (( resid 80   and name  HN  ))
   (  resid 80   and name  HG# )
      2.940     1.140     1.140
 assi 
   (  resid 80   and name  HB# )
   (( resid 81   and name  HN  ))
      3.065     1.265     1.265
 assi 
   (( resid 81   and name  HN  ))
   (  resid 81   and name  HB# )
      2.675     0.875     0.875

!
! the data are in the format:
! assign (atomselection) value error


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  20  and name N   )
       ( resid  20  and name HN  )   1.7  2.010 
       

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  21  and name N   )
       ( resid  21  and name HN  )  7.97  2.010 

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  22  and name N   )
       ( resid  22  and name HN  ) 10.02  2.010 


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  23  and name N   )
       ( resid  23  and name HN  )  -0.86  2.010 

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  24  and name N   )
       ( resid  24  and name HN  )  2.61  2.010 

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  25  and name N   )
       ( resid  25  and name HN  )  20.32  2.010 

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  26  and name N   )
       ( resid  26  and name HN  )  0.00  2.010 

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  27  and name N   )
       ( resid  27  and name HN  ) -6.56  2.010 

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  28  and name N   )
       ( resid  28  and name HN  )  11.93   2.010 

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  29  and name N   )
       ( resid  29  and name HN  )  16.49  2.010 

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  30  and name N   )
       ( resid  30  and name HN  )  2.86  2.010 

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  31  and name N   )
       ( resid  31  and name HN  )  4.87   2.010 

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  35  and name N   )
       ( resid  35  and name HN  )  21.3  2.010 

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  37  and name N   )
       ( resid  37  and name HN  )  -0.05  2.010 

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  38  and name N   )
       ( resid  38  and name HN  )  16.66  2.010 

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  39  and name N   )
       ( resid  39  and name HN  )  15.33  2.010 

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  40  and name N   )
       ( resid  40  and name HN  )   2.25  2.010 

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  41  and name N   )
       ( resid  41  and name HN  )  2.22  2.010 

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  42  and name N   )
       ( resid  42  and name HN  )  19.64  2.010 

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  44  and name N   )
       ( resid  44  and name HN  ) -7.72   2.010 

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  45  and name N   )
       ( resid  45  and name HN  )  22.63  2.010 

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  47  and name N   )
       ( resid  47  and name HN  ) -11.93  2.010 

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  49  and name N   )
       ( resid  49  and name HN  )   2.49  2.010 

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  50  and name N   )
       ( resid  50  and name HN  )   2.00  2.010 

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  51  and name N   )
       ( resid  51  and name HN  )   6.8  2.010 

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  52  and name N   )
       ( resid  52  and name HN  )   2.81  2.010 

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  53  and name N   )
       ( resid  53  and name HN  )   1.58  2.010 

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  54  and name N   )
       ( resid  54  and name HN  )   2.26  2.010 

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  55  and name N   )
       ( resid  55  and name HN  )   4.01  2.010 

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  58  and name N   )
       ( resid  58  and name HN  )  -5.77  2.010 

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  61  and name N   )
       ( resid  61  and name HN  )   13.14  2.010 

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  62  and name N   )
       ( resid  62  and name HN  )   4.20  2.010 

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  63  and name N   )
       ( resid  63  and name HN  )   17.88  2.010 

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  65  and name N   )
       ( resid  65  and name HN  )   6.38  2.010 

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  67  and name N   )
       ( resid  67  and name HN  )   23.4  2.010        

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  68  and name N   )
       ( resid  68  and name HN  )   13.51  2.010 

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  69  and name N   )
       ( resid  69  and name HN  )   1.82  2.010 
       
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  70  and name N   )
       ( resid  70  and name HN  )   15.45  2.010 

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  71  and name N   )
       ( resid  71  and name HN  )   16.61  2.010
       
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  72  and name N   )
       ( resid  72  and name HN  )   12.53  2.010 

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  73  and name N   )
       ( resid  73  and name HN  )   7.16   2.010 

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  74  and name N   )
       ( resid  74  and name HN  )   9.92  2.010 

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  75  and name N   )
       ( resid  75  and name HN  )   14.32  2.010   
       
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  77  and name N   )
       ( resid  77  and name HN  )   13.9   2.010 

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  78  and name N   )
       ( resid  78  and name HN  )   20.19  2.010   
       
! phi and psi dihedral restraint file generated by Talos2Aria.py
!
! TALOS filename:
! /data2/home/hsun/SAMCx-CN/talos/pred.tab
!
! settings: min phiError=30.0, min psiError=30.0, errorFactor=2.0
!

! Talos derived phi restraint:
assign (resid  10 and name C)
       (resid  11 and name N)
       (resid  11 and name CA)
       (resid  11 and name C)
       1.0 -100  63 2

! Talos derived phi restraint:
assign (resid  11 and name C)
       (resid  12 and name N)
       (resid  12 and name CA)
       (resid  12 and name C)
       1.0 -100  34 2

! Talos derived phi restraint:
assign (resid  15 and name C)
       (resid  16 and name N)
       (resid  16 and name CA)
       (resid  16 and name C)
       1.0 -70  32 2

! Talos derived phi restraint:
assign (resid  16 and name C)
       (resid  17 and name N)
       (resid  17 and name CA)
       (resid  17 and name C)
       1.0 -71  30 2

! Talos derived phi restraint:
assign (resid  17 and name C)
       (resid  18 and name N)
       (resid  18 and name CA)
       (resid  18 and name C)
       1.0 -64  30 2

! Talos derived phi restraint:
assign (resid  18 and name C)
       (resid  19 and name N)
       (resid  19 and name CA)
       (resid  19 and name C)
       1.0 -62  30 2

! Talos derived phi restraint:
assign (resid  19 and name C)
       (resid  20 and name N)
       (resid  20 and name CA)
       (resid  20 and name C)
       1.0 -61  30 2

! Talos derived phi restraint:
assign (resid  20 and name C)
       (resid  21 and name N)
       (resid  21 and name CA)
       (resid  21 and name C)
       1.0 -63  30 2

! Talos derived phi restraint:
assign (resid  21 and name C)
       (resid  22 and name N)
       (resid  22 and name CA)
       (resid  22 and name C)
       1.0 -63  30 2

! Talos derived phi restraint:
assign (resid  22 and name C)
       (resid  23 and name N)
       (resid  23 and name CA)
       (resid  23 and name C)
       1.0 -66  30 2

! Talos derived phi restraint:
assign (resid  23 and name C)
       (resid  24 and name N)
       (resid  24 and name CA)
       (resid  24 and name C)
       1.0 -63  30 2

! Talos derived phi restraint:
assign (resid  24 and name C)
       (resid  25 and name N)
       (resid  25 and name CA)
       (resid  25 and name C)
       1.0 -63  30 2

! Talos derived phi restraint:
assign (resid  25 and name C)
       (resid  26 and name N)
       (resid  26 and name CA)
       (resid  26 and name C)
       1.0 -66  30 2

! Talos derived phi restraint:
assign (resid  26 and name C)
       (resid  27 and name N)
       (resid  27 and name CA)
       (resid  27 and name C)
       1.0 -63  30 2

! Talos derived phi restraint:
assign (resid  27 and name C)
       (resid  28 and name N)
       (resid  28 and name CA)
       (resid  28 and name C)
       1.0 -59  30 2

! Talos derived phi restraint:
assign (resid  28 and name C)
       (resid  29 and name N)
       (resid  29 and name CA)
       (resid  29 and name C)
       1.0 -63  30 2

! Talos derived phi restraint:
assign (resid  29 and name C)
       (resid  30 and name N)
       (resid  30 and name CA)
       (resid  30 and name C)
       1.0 -61  30 2

! Talos derived phi restraint:
assign (resid  30 and name C)
       (resid  31 and name N)
       (resid  31 and name CA)
       (resid  31 and name C)
       1.0 -78  30 2

! Talos derived phi restraint:
assign (resid  34 and name C)
       (resid  35 and name N)
       (resid  35 and name CA)
       (resid  35 and name C)
       1.0 -67  30 2

! Talos derived phi restraint:
assign (resid  35 and name C)
       (resid  36 and name N)
       (resid  36 and name CA)
       (resid  36 and name C)
       1.0 -66  30 2

! Talos derived phi restraint:
assign (resid  37 and name C)
       (resid  38 and name N)
       (resid  38 and name CA)
       (resid  38 and name C)
       1.0 -62  30 2

! Talos derived phi restraint:
assign (resid  38 and name C)
       (resid  39 and name N)
       (resid  39 and name CA)
       (resid  39 and name C)
       1.0 -66  30 2

! Talos derived phi restraint:
assign (resid  39 and name C)
       (resid  40 and name N)
       (resid  40 and name CA)
       (resid  40 and name C)
       1.0 -64  30 2

! Talos derived phi restraint:
assign (resid  40 and name C)
       (resid  41 and name N)
       (resid  41 and name CA)
       (resid  41 and name C)
       1.0 -62  30 2

! Talos derived phi restraint:
assign (resid  41 and name C)
       (resid  42 and name N)
       (resid  42 and name CA)
       (resid  42 and name C)
       1.0 -72  30 2

! Talos derived phi restraint:
assign (resid  45 and name C)
       (resid  46 and name N)
       (resid  46 and name CA)
       (resid  46 and name C)
       1.0 -111  71 2

! Talos derived phi restraint:
assign (resid  46 and name C)
       (resid  47 and name N)
       (resid  47 and name CA)
       (resid  47 and name C)
       1.0 -129  48 2

! Talos derived phi restraint:
assign (resid  47 and name C)
       (resid  48 and name N)
       (resid  48 and name CA)
       (resid  48 and name C)
       1.0 -83  33 2

! Talos derived phi restraint:
assign (resid  49 and name C)
       (resid  50 and name N)
       (resid  50 and name CA)
       (resid  50 and name C)
       1.0 -63  30 2

! Talos derived phi restraint:
assign (resid  50 and name C)
       (resid  51 and name N)
       (resid  51 and name CA)
       (resid  51 and name C)
       1.0 -60  30 2

! Talos derived phi restraint:
assign (resid  51 and name C)
       (resid  52 and name N)
       (resid  52 and name CA)
       (resid  52 and name C)
       1.0 -64  30 2

! Talos derived phi restraint:
assign (resid  52 and name C)
       (resid  53 and name N)
       (resid  53 and name CA)
       (resid  53 and name C)
       1.0 -59  30 2

! Talos derived phi restraint:
assign (resid  53 and name C)
       (resid  54 and name N)
       (resid  54 and name CA)
       (resid  54 and name C)
       1.0 -64  30 2

! Talos derived phi restraint:
assign (resid  54 and name C)
       (resid  55 and name N)
       (resid  55 and name CA)
       (resid  55 and name C)
       1.0 -67  30 2

! Talos derived phi restraint:
assign (resid  55 and name C)
       (resid  56 and name N)
       (resid  56 and name CA)
       (resid  56 and name C)
       1.0 -79  33 2

! Talos derived phi restraint:
assign (resid  60 and name C)
       (resid  61 and name N)
       (resid  61 and name CA)
       (resid  61 and name C)
       1.0 -59  30 2

! Talos derived phi restraint:
assign (resid  61 and name C)
       (resid  62 and name N)
       (resid  62 and name CA)
       (resid  62 and name C)
       1.0 -68  30 2

! Talos derived phi restraint:
assign (resid  62 and name C)
       (resid  63 and name N)
       (resid  63 and name CA)
       (resid  63 and name C)
       1.0 -92  36 2

! Talos derived phi restraint:
assign (resid  63 and name C)
       (resid  64 and name N)
       (resid  64 and name CA)
       (resid  64 and name C)
       1.0 -59  30 2

! Talos derived phi restraint:
assign (resid  64 and name C)
       (resid  65 and name N)
       (resid  65 and name CA)
       (resid  65 and name C)
       1.0 -60  30 2

! Talos derived phi restraint:
assign (resid  65 and name C)
       (resid  66 and name N)
       (resid  66 and name CA)
       (resid  66 and name C)
       1.0 -60  30 2

! Talos derived phi restraint:
assign (resid  66 and name C)
       (resid  67 and name N)
       (resid  67 and name CA)
       (resid  67 and name C)
       1.0 -66  30 2

! Talos derived phi restraint:
assign (resid  67 and name C)
       (resid  68 and name N)
       (resid  68 and name CA)
       (resid  68 and name C)
       1.0 -64  30 2

! Talos derived phi restraint:
assign (resid  68 and name C)
       (resid  69 and name N)
       (resid  69 and name CA)
       (resid  69 and name C)
       1.0 -65  30 2

! Talos derived phi restraint:
assign (resid  69 and name C)
       (resid  70 and name N)
       (resid  70 and name CA)
       (resid  70 and name C)
       1.0 -63  30 2

! Talos derived phi restraint:
assign (resid  70 and name C)
       (resid  71 and name N)
       (resid  71 and name CA)
       (resid  71 and name C)
       1.0 -62  30 2

! Talos derived phi restraint:
assign (resid  71 and name C)
       (resid  72 and name N)
       (resid  72 and name CA)
       (resid  72 and name C)
       1.0 -65  30 2

! Talos derived phi restraint:
assign (resid  72 and name C)
       (resid  73 and name N)
       (resid  73 and name CA)
       (resid  73 and name C)
       1.0 -64  30 2

! Talos derived phi restraint:
assign (resid  73 and name C)
       (resid  74 and name N)
       (resid  74 and name CA)
       (resid  74 and name C)
       1.0 -63  30 2

! Talos derived phi restraint:
assign (resid  74 and name C)
       (resid  75 and name N)
       (resid  75 and name CA)
       (resid  75 and name C)
       1.0 -64  30 2

! Talos derived phi restraint:
assign (resid  75 and name C)
       (resid  76 and name N)
       (resid  76 and name CA)
       (resid  76 and name C)
       1.0 -63  30 2

! Talos derived phi restraint:
assign (resid  76 and name C)
       (resid  77 and name N)
       (resid  77 and name CA)
       (resid  77 and name C)
       1.0 -66  30 2

! Talos derived phi restraint:
assign (resid  78 and name C)
       (resid  79 and name N)
       (resid  79 and name CA)
       (resid  79 and name C)
       1.0 -80  30 2

! Talos derived psi restraint:
assign (resid  11 and name N)
       (resid  11 and name CA)
       (resid  11 and name C)
       (resid  12 and name N)
       1.0 129  30 2

! Talos derived psi restraint:
assign (resid  12 and name N)
       (resid  12 and name CA)
       (resid  12 and name C)
       (resid  13 and name N)
       1.0 114  47 2

! Talos derived psi restraint:
assign (resid  16 and name N)
       (resid  16 and name CA)
       (resid  16 and name C)
       (resid  17 and name N)
       1.0 -32  46 2

! Talos derived psi restraint:
assign (resid  17 and name N)
       (resid  17 and name CA)
       (resid  17 and name C)
       (resid  18 and name N)
       1.0 -35  44 2

! Talos derived psi restraint:
assign (resid  18 and name N)
       (resid  18 and name CA)
       (resid  18 and name C)
       (resid  19 and name N)
       1.0 -40  30 2

! Talos derived psi restraint:
assign (resid  19 and name N)
       (resid  19 and name CA)
       (resid  19 and name C)
       (resid  20 and name N)
       1.0 -42  30 2

! Talos derived psi restraint:
assign (resid  20 and name N)
       (resid  20 and name CA)
       (resid  20 and name C)
       (resid  21 and name N)
       1.0 -41  30 2

! Talos derived psi restraint:
assign (resid  21 and name N)
       (resid  21 and name CA)
       (resid  21 and name C)
       (resid  22 and name N)
       1.0 -43  30 2

! Talos derived psi restraint:
assign (resid  22 and name N)
       (resid  22 and name CA)
       (resid  22 and name C)
       (resid  23 and name N)
       1.0 -38  30 2

! Talos derived psi restraint:
assign (resid  23 and name N)
       (resid  23 and name CA)
       (resid  23 and name C)
       (resid  24 and name N)
       1.0 -39  30 2

! Talos derived psi restraint:
assign (resid  24 and name N)
       (resid  24 and name CA)
       (resid  24 and name C)
       (resid  25 and name N)
       1.0 -43  30 2

! Talos derived psi restraint:
assign (resid  25 and name N)
       (resid  25 and name CA)
       (resid  25 and name C)
       (resid  26 and name N)
       1.0 -44  30 2

! Talos derived psi restraint:
assign (resid  26 and name N)
       (resid  26 and name CA)
       (resid  26 and name C)
       (resid  27 and name N)
       1.0 -41  30 2

! Talos derived psi restraint:
assign (resid  27 and name N)
       (resid  27 and name CA)
       (resid  27 and name C)
       (resid  28 and name N)
       1.0 -43  30 2

! Talos derived psi restraint:
assign (resid  28 and name N)
       (resid  28 and name CA)
       (resid  28 and name C)
       (resid  29 and name N)
       1.0 -43  30 2

! Talos derived psi restraint:
assign (resid  29 and name N)
       (resid  29 and name CA)
       (resid  29 and name C)
       (resid  30 and name N)
       1.0 -42  30 2

! Talos derived psi restraint:
assign (resid  30 and name N)
       (resid  30 and name CA)
       (resid  30 and name C)
       (resid  31 and name N)
       1.0 -35  30 2

! Talos derived psi restraint:
assign (resid  31 and name N)
       (resid  31 and name CA)
       (resid  31 and name C)
       (resid  32 and name N)
       1.0 -14  35 2

! Talos derived psi restraint:
assign (resid  35 and name N)
       (resid  35 and name CA)
       (resid  35 and name C)
       (resid  36 and name N)
       1.0 -35  30 2

! Talos derived psi restraint:
assign (resid  36 and name N)
       (resid  36 and name CA)
       (resid  36 and name C)
       (resid  37 and name N)
       1.0 -37  30 2

! Talos derived psi restraint:
assign (resid  38 and name N)
       (resid  38 and name CA)
       (resid  38 and name C)
       (resid  39 and name N)
       1.0 -44  30 2

! Talos derived psi restraint:
assign (resid  39 and name N)
       (resid  39 and name CA)
       (resid  39 and name C)
       (resid  40 and name N)
       1.0 -40  30 2

! Talos derived psi restraint:
assign (resid  40 and name N)
       (resid  40 and name CA)
       (resid  40 and name C)
       (resid  41 and name N)
       1.0 -38  30 2

! Talos derived psi restraint:
assign (resid  41 and name N)
       (resid  41 and name CA)
       (resid  41 and name C)
       (resid  42 and name N)
       1.0 -36  30 2

! Talos derived psi restraint:
assign (resid  42 and name N)
       (resid  42 and name CA)
       (resid  42 and name C)
       (resid  43 and name N)
       1.0 -22  43 2

! Talos derived psi restraint:
assign (resid  46 and name N)
       (resid  46 and name CA)
       (resid  46 and name C)
       (resid  47 and name N)
       1.0 155  34 2

! Talos derived psi restraint:
assign (resid  47 and name N)
       (resid  47 and name CA)
       (resid  47 and name C)
       (resid  48 and name N)
       1.0 149  30 2

! Talos derived psi restraint:
assign (resid  48 and name N)
       (resid  48 and name CA)
       (resid  48 and name C)
       (resid  49 and name N)
       1.0 123  39 2

! Talos derived psi restraint:
assign (resid  50 and name N)
       (resid  50 and name CA)
       (resid  50 and name C)
       (resid  51 and name N)
       1.0 -40  30 2

! Talos derived psi restraint:
assign (resid  51 and name N)
       (resid  51 and name CA)
       (resid  51 and name C)
       (resid  52 and name N)
       1.0 -37  30 2

! Talos derived psi restraint:
assign (resid  52 and name N)
       (resid  52 and name CA)
       (resid  52 and name C)
       (resid  53 and name N)
       1.0 -44  30 2

! Talos derived psi restraint:
assign (resid  53 and name N)
       (resid  53 and name CA)
       (resid  53 and name C)
       (resid  54 and name N)
       1.0 -42  30 2

! Talos derived psi restraint:
assign (resid  54 and name N)
       (resid  54 and name CA)
       (resid  54 and name C)
       (resid  55 and name N)
       1.0 -35  30 2

! Talos derived psi restraint:
assign (resid  55 and name N)
       (resid  55 and name CA)
       (resid  55 and name C)
       (resid  56 and name N)
       1.0 -38  30 2

! Talos derived psi restraint:
assign (resid  56 and name N)
       (resid  56 and name CA)
       (resid  56 and name C)
       (resid  57 and name N)
       1.0 -20  53 2

! Talos derived psi restraint:
assign (resid  61 and name N)
       (resid  61 and name CA)
       (resid  61 and name C)
       (resid  62 and name N)
       1.0 -34  30 2

! Talos derived psi restraint:
assign (resid  62 and name N)
       (resid  62 and name CA)
       (resid  62 and name C)
       (resid  63 and name N)
       1.0 -23  32 2

! Talos derived psi restraint:
assign (resid  63 and name N)
       (resid  63 and name CA)
       (resid  63 and name C)
       (resid  64 and name N)
       1.0  -7  48 2

! Talos derived psi restraint:
assign (resid  64 and name N)
       (resid  64 and name CA)
       (resid  64 and name C)
       (resid  65 and name N)
       1.0 -47  30 2

! Talos derived psi restraint:
assign (resid  65 and name N)
       (resid  65 and name CA)
       (resid  65 and name C)
       (resid  66 and name N)
       1.0 -42  30 2

! Talos derived psi restraint:
assign (resid  66 and name N)
       (resid  66 and name CA)
       (resid  66 and name C)
       (resid  67 and name N)
       1.0 -35  30 2

! Talos derived psi restraint:
assign (resid  67 and name N)
       (resid  67 and name CA)
       (resid  67 and name C)
       (resid  68 and name N)
       1.0 -42  30 2

! Talos derived psi restraint:
assign (resid  68 and name N)
       (resid  68 and name CA)
       (resid  68 and name C)
       (resid  69 and name N)
       1.0 -41  30 2

! Talos derived psi restraint:
assign (resid  69 and name N)
       (resid  69 and name CA)
       (resid  69 and name C)
       (resid  70 and name N)
       1.0 -42  30 2

! Talos derived psi restraint:
assign (resid  70 and name N)
       (resid  70 and name CA)
       (resid  70 and name C)
       (resid  71 and name N)
       1.0 -44  30 2

! Talos derived psi restraint:
assign (resid  71 and name N)
       (resid  71 and name CA)
       (resid  71 and name C)
       (resid  72 and name N)
       1.0 -42  30 2

! Talos derived psi restraint:
assign (resid  72 and name N)
       (resid  72 and name CA)
       (resid  72 and name C)
       (resid  73 and name N)
       1.0 -38  30 2

! Talos derived psi restraint:
assign (resid  73 and name N)
       (resid  73 and name CA)
       (resid  73 and name C)
       (resid  74 and name N)
       1.0 -41  30 2

! Talos derived psi restraint:
assign (resid  74 and name N)
       (resid  74 and name CA)
       (resid  74 and name C)
       (resid  75 and name N)
       1.0 -43  30 2

! Talos derived psi restraint:
assign (resid  75 and name N)
       (resid  75 and name CA)
       (resid  75 and name C)
       (resid  76 and name N)
       1.0 -39  30 2

! Talos derived psi restraint:
assign (resid  76 and name N)
       (resid  76 and name CA)
       (resid  76 and name C)
       (resid  77 and name N)
       1.0 -44  30 2

! Talos derived psi restraint:
assign (resid  77 and name N)
       (resid  77 and name CA)
       (resid  77 and name C)
       (resid  78 and name N)
       1.0 -34  30 2

! Talos derived psi restraint:
assign (resid  79 and name N)
       (resid  79 and name CA)
       (resid  79 and name C)
       (resid  80 and name N)
       1.0 -11  41 2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           1HT      MET   1   4.813  -6.769  35.973
    2    H2   MET   1           2HT      MET   1   4.938  -7.958  34.766
    3    H3   MET   1           3HT      MET   1   3.413  -7.504  35.362
    4    HA   MET   1           HA       MET   1   5.215  -6.038  33.554
    5    HB2  MET   1           2HB      MET   1   2.204  -6.264  33.513
    6    HB3  MET   1           1HB      MET   1   3.294  -5.912  32.172
    7    HG2  MET   1           2HG      MET   1   3.089  -8.125  31.699
    8    HG3  MET   1           1HG      MET   1   4.236  -8.345  33.019
    9    HE1  MET   1           2HE      MET   1   0.772  -9.249  31.672
   10    HE2  MET   1           3HE      MET   1   0.737 -10.663  32.723
   11    HE3  MET   1           1HE      MET   1   2.187 -10.294  31.777
   12    H    HIS   2           H        HIS   2   5.862  -4.203  34.583
   13    HA   HIS   2           HA       HIS   2   4.287  -2.752  36.450
   14    HB2  HIS   2           2HB      HIS   2   6.923  -2.585  35.326
   15    HB3  HIS   2           1HB      HIS   2   6.160  -0.996  35.261
   16    HD2  HIS   2           2HD      HIS   2   7.137  -3.678  38.004
   17    HE1  HIS   2           1HE      HIS   2   6.291  -0.019  39.930
   18    HE2  HIS   2           2HE      HIS   2   7.139  -2.388  40.273
   19    H    HIS   3           H        HIS   3   3.620  -0.460  36.123
   20    HA   HIS   3           HA       HIS   3   1.759  -0.249  34.006
   21    HB2  HIS   3           2HB      HIS   3   1.825   2.262  34.773
   22    HB3  HIS   3           1HB      HIS   3   1.172   1.029  35.853
   23    HD2  HIS   3           2HD      HIS   3   2.115   2.691  38.062
   24    HE1  HIS   3           1HE      HIS   3   6.184   1.769  37.411
   25    HE2  HIS   3           2HE      HIS   3   4.535   2.807  39.040
   26    H    HIS   4           H        HIS   4   5.117   0.417  34.175
   27    HA   HIS   4           HA       HIS   4   5.148   2.354  32.021
   28    HB2  HIS   4           2HB      HIS   4   7.249   0.935  33.636
   29    HB3  HIS   4           1HB      HIS   4   7.686   1.816  32.172
   30    HD2  HIS   4           2HD      HIS   4   7.798   4.584  32.484
   31    HE1  HIS   4           1HE      HIS   4   6.121   4.767  36.354
   32    HE2  HIS   4           2HE      HIS   4   7.232   6.123  34.516
   33    H    HIS   5           H        HIS   5   3.768   0.552  30.838
   34    HA   HIS   5           HA       HIS   5   5.624  -0.739  28.970
   35    HB2  HIS   5           2HB      HIS   5   4.285  -2.200  30.947
   36    HB3  HIS   5           1HB      HIS   5   3.350  -2.463  29.475
   37    HD2  HIS   5           2HD      HIS   5   6.963  -3.198  30.851
   38    HE1  HIS   5           1HE      HIS   5   6.542  -5.158  27.135
   39    HE2  HIS   5           2HE      HIS   5   8.047  -4.867  29.159
   40    H    HIS   6           H        HIS   6   5.093   0.047  27.041
   41    HA   HIS   6           HA       HIS   6   2.461  -0.212  25.969
   42    HB2  HIS   6           2HB      HIS   6   2.651   2.500  25.570
   43    HB3  HIS   6           1HB      HIS   6   1.615   1.723  26.766
   44    HD2  HIS   6           2HD      HIS   6   5.546   2.291  27.079
   45    HE1  HIS   6           1HE      HIS   6   3.614   4.113  30.361
   46    HE2  HIS   6           2HE      HIS   6   5.871   3.576  29.329
   47    H    HIS   7           H        HIS   7   2.352   0.986  23.774
   48    HA   HIS   7           HA       HIS   7   5.017   1.191  22.540
   49    HB2  HIS   7           2HB      HIS   7   4.275  -0.182  20.639
   50    HB3  HIS   7           1HB      HIS   7   4.228  -1.104  22.142
   51    HD2  HIS   7           2HD      HIS   7   2.111  -1.866  19.666
   52    HE1  HIS   7           1HE      HIS   7  -0.793  -0.160  22.210
   53    HE2  HIS   7           2HE      HIS   7  -0.439  -1.658  20.191
   54    H    SER   8           H        SER   8   4.892   3.357  22.143
   55    HA   SER   8           HA       SER   8   2.497   4.471  20.894
   56    HB2  SER   8           2HB      SER   8   5.081   5.792  21.752
   57    HB3  SER   8           1HB      SER   8   3.656   6.632  21.148
   58    HG   SER   8           HG       SER   8   2.517   5.558  22.919
   59    H    SER   9           H        SER   9   2.780   5.916  18.989
   60    HA   SER   9           HA       SER   9   5.043   5.371  17.251
   61    HB2  SER   9           2HB      SER   9   3.458   4.621  15.394
   62    HB3  SER   9           1HB      SER   9   3.788   3.445  16.664
   63    HG   SER   9           HG       SER   9   1.601   5.237  16.777
   64    H    GLY  10           H        GLY  10   5.536   7.347  16.557
   65    HA2  GLY  10           2HA      GLY  10   3.778   9.555  16.559
   66    HA3  GLY  10           1HA      GLY  10   5.339   9.491  15.746
   67    H    LEU  11           H        LEU  11   4.094  10.839  14.159
   68    HA   LEU  11           HA       LEU  11   3.143   9.119  12.012
   69    HB2  LEU  11           2HB      LEU  11   1.329  10.646  13.682
   70    HB3  LEU  11           1HB      LEU  11   1.246  11.176  12.001
   71    HG   LEU  11           HG       LEU  11   1.119   8.268  12.839
   72   HD11  LEU  11          1HD1      LEU  11  -0.990   8.678  13.518
   73   HD12  LEU  11          2HD1      LEU  11  -1.375   9.093  11.847
   74   HD13  LEU  11          3HD1      LEU  11  -0.894  10.355  12.982
   75   HD21  LEU  11          3HD2      LEU  11  -0.152   9.023  10.342
   76   HD22  LEU  11          1HD2      LEU  11   1.126   7.840  10.622
   77   HD23  LEU  11          2HD2      LEU  11   1.536   9.535  10.356
   78    H    VAL  12           H        VAL  12   4.035   9.811  10.185
   79    HA   VAL  12           HA       VAL  12   4.541  12.699   9.837
   80    HB   VAL  12           HB       VAL  12   6.654  11.640  10.513
   81   HG11  VAL  12          1HG1      VAL  12   7.035  10.071   8.091
   82   HG12  VAL  12          2HG1      VAL  12   5.672   9.472   9.038
   83   HG13  VAL  12          3HG1      VAL  12   7.271   9.600   9.773
   84   HG21  VAL  12          3HG2      VAL  12   7.278  11.939   7.678
   85   HG22  VAL  12          1HG2      VAL  12   7.747  12.961   9.037
   86   HG23  VAL  12          2HG2      VAL  12   6.191  13.207   8.244
   87    HA   PRO  13           HA       PRO  13   2.562  10.756   6.116
   88    HB2  PRO  13           2HB      PRO  13   0.282  12.234   6.086
   89    HB3  PRO  13           1HB      PRO  13   0.453  10.755   7.051
   90    HG2  PRO  13           2HG      PRO  13   0.530  13.591   7.904
   91    HG3  PRO  13           1HG      PRO  13  -0.072  12.165   8.763
   92    HD2  PRO  13           2HD      PRO  13   2.406  13.394   9.205
   93    HD3  PRO  13           1HD      PRO  13   1.962  11.755   9.725
   94    H    ARG  14           H        ARG  14   1.840  14.191   6.803
   95    HA   ARG  14           HA       ARG  14   2.085  15.149   4.209
   96    HB2  ARG  14           2HB      ARG  14   1.163  16.502   6.021
   97    HB3  ARG  14           1HB      ARG  14   2.742  16.569   6.801
   98    HG2  ARG  14           2HG      ARG  14   3.640  17.977   5.170
   99    HG3  ARG  14           1HG      ARG  14   2.469  17.474   3.951
  100    HD2  ARG  14           2HD      ARG  14   0.830  18.892   4.739
  101    HD3  ARG  14           1HD      ARG  14   1.419  18.821   6.398
  102    HE   ARG  14           HE       ARG  14   2.137  20.767   4.445
  103   HH11  ARG  14          1HH2      ARG  14   3.385  18.819   7.020
  104   HH12  ARG  14          2HH2      ARG  14   4.647  19.930   7.434
  105   HH21  ARG  14          1HH1      ARG  14   3.791  22.229   4.983
  106   HH22  ARG  14          2HH1      ARG  14   4.877  21.861   6.281
  107    H    GLY  15           H        GLY  15   3.815  14.376   3.051
  108    HA2  GLY  15           2HA      GLY  15   6.194  15.747   2.967
  109    HA3  GLY  15           1HA      GLY  15   6.505  14.392   4.048
  110    H    SER  16           H        SER  16   6.123  12.217   3.218
  111    HA   SER  16           HA       SER  16   7.124  11.934   0.533
  112    HB2  SER  16           2HB      SER  16   6.562   9.417   1.171
  113    HB3  SER  16           1HB      SER  16   7.959  10.245   1.855
  114    HG   SER  16           HG       SER  16   5.443   9.699   3.003
  115    H    GLN  17           H        GLN  17   4.084  12.486   1.758
  116    HA   GLN  17           HA       GLN  17   2.279  10.827   0.589
  117    HB2  GLN  17           2HB      GLN  17   2.065  13.232   1.771
  118    HB3  GLN  17           1HB      GLN  17   1.784  13.714   0.097
  119    HG2  GLN  17           2HG      GLN  17  -0.375  13.167   0.796
  120    HG3  GLN  17           1HG      GLN  17   0.156  11.656   0.059
  121   HE21  GLN  17          1HE2      GLN  17  -1.802  11.230   1.846
  122   HE22  GLN  17          2HE2      GLN  17  -1.208  10.668   3.333
  123    H    GLU  18           H        GLU  18   4.437  13.041  -1.036
  124    HA   GLU  18           HA       GLU  18   3.163  13.066  -3.569
  125    HB2  GLU  18           2HB      GLU  18   6.115  13.369  -2.976
  126    HB3  GLU  18           1HB      GLU  18   5.263  13.931  -4.415
  127    HG2  GLU  18           2HG      GLU  18   4.680  14.866  -1.591
  128    HG3  GLU  18           1HG      GLU  18   5.644  15.759  -2.766
  129    H    ILE  19           H        ILE  19   6.160  11.355  -2.640
  130    HA   ILE  19           HA       ILE  19   6.170   9.648  -4.885
  131    HB   ILE  19           HB       ILE  19   7.500   9.556  -2.188
  132   HG12  ILE  19          2HG1      ILE  19   9.510   9.859  -3.553
  133   HG13  ILE  19          1HG1      ILE  19   8.559   9.693  -5.030
  134   HG21  ILE  19          1HG2      ILE  19   7.241   7.248  -2.536
  135   HG22  ILE  19          2HG2      ILE  19   8.797   7.580  -3.297
  136   HG23  ILE  19          3HG2      ILE  19   7.351   7.404  -4.289
  137   HD11  ILE  19          3HD1      ILE  19   7.419  11.742  -4.659
  138   HD12  ILE  19          1HD1      ILE  19   9.102  12.089  -4.264
  139   HD13  ILE  19          2HD1      ILE  19   7.934  11.813  -2.973
  140    H    GLU  20           H        GLU  20   4.622   9.439  -1.754
  141    HA   GLU  20           HA       GLU  20   3.940   6.679  -1.869
  142    HB2  GLU  20           2HB      GLU  20   3.458   8.926  -0.118
  143    HB3  GLU  20           1HB      GLU  20   1.972   8.010  -0.369
  144    HG2  GLU  20           2HG      GLU  20   4.621   6.740   0.371
  145    HG3  GLU  20           1HG      GLU  20   3.385   7.182   1.548
  146    H    ALA  21           H        ALA  21   2.372   9.645  -2.941
  147    HA   ALA  21           HA       ALA  21  -0.137   8.551  -3.611
  148    HB1  ALA  21           1HB      ALA  21  -0.118  10.879  -3.606
  149    HB2  ALA  21           2HB      ALA  21  -0.107  10.516  -5.333
  150    HB3  ALA  21           3HB      ALA  21   1.389  10.968  -4.518
  151    H    LYS  22           H        LYS  22   2.535   9.390  -5.836
  152    HA   LYS  22           HA       LYS  22   1.516   8.191  -8.117
  153    HB2  LYS  22           2HB      LYS  22   4.418   8.384  -7.279
  154    HB3  LYS  22           1HB      LYS  22   3.841   8.089  -8.919
  155    HG2  LYS  22           2HG      LYS  22   2.427  10.355  -8.047
  156    HG3  LYS  22           1HG      LYS  22   4.083  10.605  -7.495
  157    HD2  LYS  22           2HD      LYS  22   3.926  11.504  -9.729
  158    HD3  LYS  22           1HD      LYS  22   4.861  10.012  -9.823
  159    HE2  LYS  22           2HE      LYS  22   2.143   9.265 -10.098
  160    HE3  LYS  22           1HE      LYS  22   2.381  10.668 -11.138
  161    HZ1  LYS  22           3HZ      LYS  22   2.938   8.745 -12.381
  162    HZ2  LYS  22           1HZ      LYS  22   3.927   8.138 -11.145
  163    HZ3  LYS  22           2HZ      LYS  22   4.397   9.526 -12.005
  164    H    GLU  23           H        GLU  23   3.296   6.717  -5.446
  165    HA   GLU  23           HA       GLU  23   3.573   4.165  -6.729
  166    HB2  GLU  23           2HB      GLU  23   4.071   5.284  -4.013
  167    HB3  GLU  23           1HB      GLU  23   3.844   3.538  -4.140
  168    HG2  GLU  23           2HG      GLU  23   5.739   5.037  -5.953
  169    HG3  GLU  23           1HG      GLU  23   6.250   4.406  -4.388
  170    H    ALA  24           H        ALA  24   1.518   5.398  -4.108
  171    HA   ALA  24           HA       ALA  24  -0.048   3.309  -3.474
  172    HB1  ALA  24           1HB      ALA  24  -0.792   5.135  -2.341
  173    HB2  ALA  24           2HB      ALA  24  -1.974   5.207  -3.646
  174    HB3  ALA  24           3HB      ALA  24  -0.530   6.215  -3.710
  175    H    CYS  25           H        CYS  25  -0.600   5.385  -6.332
  176    HA   CYS  25           HA       CYS  25  -2.783   3.775  -7.270
  177    HB2  CYS  25           2HB      CYS  25  -3.134   5.676  -8.396
  178    HB3  CYS  25           1HB      CYS  25  -1.532   6.273  -7.970
  179    HG   CYS  25           HG       CYS  25  -0.579   5.005 -10.078
  180    H    ASP  26           H        ASP  26   0.678   3.962  -7.939
  181    HA   ASP  26           HA       ASP  26   0.539   2.128 -10.171
  182    HB2  ASP  26           2HB      ASP  26   2.312   3.985  -9.665
  183    HB3  ASP  26           1HB      ASP  26   3.069   2.734  -8.682
  184    H    TRP  27           H        TRP  27   0.450   1.807  -6.821
  185    HA   TRP  27           HA       TRP  27   1.775  -0.791  -6.738
  186    HB2  TRP  27           2HB      TRP  27   2.077   0.737  -4.849
  187    HB3  TRP  27           1HB      TRP  27   0.333   0.785  -4.592
  188    HD1  TRP  27           HD       TRP  27   3.342  -1.566  -4.321
  189    HE1  TRP  27           1HE      TRP  27   2.715  -3.531  -2.775
  190    HE3  TRP  27           3HE      TRP  27  -1.623  -0.593  -3.628
  191    HZ2  TRP  27           2HZ      TRP  27   0.412  -4.555  -1.424
  192    HZ3  TRP  27           3HZ      TRP  27  -3.009  -2.077  -2.208
  193    HH2  TRP  27           HH       TRP  27  -2.000  -4.055  -1.107
  194    H    LEU  28           H        LEU  28  -1.481   0.579  -6.410
  195    HA   LEU  28           HA       LEU  28  -2.898  -1.704  -5.721
  196    HB2  LEU  28           2HB      LEU  28  -3.644   0.671  -7.426
  197    HB3  LEU  28           1HB      LEU  28  -4.799  -0.607  -7.047
  198    HG   LEU  28           HG       LEU  28  -3.231   0.625  -4.809
  199   HD11  LEU  28          1HD1      LEU  28  -5.344   1.953  -6.450
  200   HD12  LEU  28          2HD1      LEU  28  -3.980   2.662  -5.588
  201   HD13  LEU  28          3HD1      LEU  28  -5.416   2.157  -4.701
  202   HD21  LEU  28          3HD2      LEU  28  -5.040  -1.363  -4.850
  203   HD22  LEU  28          1HD2      LEU  28  -6.150   0.000  -4.725
  204   HD23  LEU  28          2HD2      LEU  28  -4.914  -0.246  -3.492
  205    H    ARG  29           H        ARG  29  -1.624  -0.702  -8.836
  206    HA   ARG  29           HA       ARG  29  -2.976  -2.744 -10.344
  207    HB2  ARG  29           2HB      ARG  29  -0.459  -1.579 -11.394
  208    HB3  ARG  29           1HB      ARG  29  -2.027  -1.772 -12.177
  209    HG2  ARG  29           2HG      ARG  29  -2.832   0.051 -10.500
  210    HG3  ARG  29           1HG      ARG  29  -1.114   0.401 -10.303
  211    HD2  ARG  29           2HD      ARG  29  -1.506   1.790 -12.081
  212    HD3  ARG  29           1HD      ARG  29  -1.230   0.308 -12.994
  213    HE   ARG  29           HE       ARG  29  -3.896   0.213 -12.519
  214   HH11  ARG  29          1HH2      ARG  29  -1.760   2.667 -13.696
  215   HH12  ARG  29          2HH2      ARG  29  -2.953   3.415 -14.705
  216   HH21  ARG  29          1HH1      ARG  29  -5.465   1.187 -13.839
  217   HH22  ARG  29          2HH1      ARG  29  -5.051   2.577 -14.786
  218    H    ALA  30           H        ALA  30   0.114  -2.413  -8.711
  219    HA   ALA  30           HA       ALA  30   1.174  -4.884  -9.789
  220    HB1  ALA  30           1HB      ALA  30   2.426  -3.773  -7.368
  221    HB2  ALA  30           2HB      ALA  30   2.336  -2.649  -8.725
  222    HB3  ALA  30           3HB      ALA  30   3.149  -4.202  -8.917
  223    H    ALA  31           H        ALA  31  -0.688  -3.862  -7.056
  224    HA   ALA  31           HA       ALA  31  -0.127  -6.103  -5.365
  225    HB1  ALA  31           1HB      ALA  31  -2.731  -4.995  -4.871
  226    HB2  ALA  31           2HB      ALA  31  -1.587  -3.687  -5.170
  227    HB3  ALA  31           3HB      ALA  31  -1.270  -4.860  -3.892
  228    H    GLY  32           H        GLY  32  -2.525  -5.371  -7.835
  229    HA2  GLY  32           2HA      GLY  32  -3.212  -7.442  -9.106
  230    HA3  GLY  32           1HA      GLY  32  -3.638  -8.097  -7.529
  231    H    PHE  33           H        PHE  33  -4.191  -4.733  -7.933
  232    HA   PHE  33           HA       PHE  33  -6.987  -5.156  -8.723
  233    HB2  PHE  33           2HB      PHE  33  -6.397  -3.403  -6.358
  234    HB3  PHE  33           1HB      PHE  33  -7.913  -4.171  -6.825
  235    HD1  PHE  33           1HD      PHE  33  -7.841  -6.819  -6.929
  236    HD2  PHE  33           2HD      PHE  33  -5.119  -4.385  -4.666
  237    HE1  PHE  33           1HE      PHE  33  -7.308  -8.760  -5.483
  238    HE2  PHE  33           2HE      PHE  33  -4.585  -6.326  -3.221
  239    HZ   PHE  33           HZ       PHE  33  -5.679  -8.514  -3.628
  240    HA   PRO  34           HA       PRO  34  -5.000  -1.388 -10.609
  241    HB2  PRO  34           2HB      PRO  34  -6.032  -2.391 -13.148
  242    HB3  PRO  34           1HB      PRO  34  -4.357  -2.051 -12.685
  243    HG2  PRO  34           2HG      PRO  34  -5.345  -4.552 -13.109
  244    HG3  PRO  34           1HG      PRO  34  -3.960  -4.193 -12.065
  245    HD2  PRO  34           2HD      PRO  34  -6.783  -4.832 -11.303
  246    HD3  PRO  34           1HD      PRO  34  -5.265  -5.234 -10.470
  247    H    GLN  35           H        GLN  35  -8.064  -2.782 -10.330
  248    HA   GLN  35           HA       GLN  35  -9.647  -0.967 -11.838
  249    HB2  GLN  35           2HB      GLN  35 -10.626  -3.045 -11.220
  250    HB3  GLN  35           1HB      GLN  35 -10.243  -2.800  -9.517
  251    HG2  GLN  35           2HG      GLN  35 -11.914  -0.716 -10.830
  252    HG3  GLN  35           1HG      GLN  35 -12.668  -2.277 -10.532
  253   HE21  GLN  35          1HE2      GLN  35 -11.706   0.685  -9.039
  254   HE22  GLN  35          2HE2      GLN  35 -12.041   0.233  -7.438
  255    H    TYR  36           H        TYR  36  -8.428  -0.967  -8.531
  256    HA   TYR  36           HA       TYR  36  -9.995   1.226  -7.620
  257    HB2  TYR  36           2HB      TYR  36  -7.495  -0.121  -6.644
  258    HB3  TYR  36           1HB      TYR  36  -8.054   1.371  -5.890
  259    HD1  TYR  36           2HD      TYR  36 -10.703   1.406  -5.414
  260    HD2  TYR  36           1HD      TYR  36  -8.282  -2.127  -5.745
  261    HE1  TYR  36           2HE      TYR  36 -12.393   0.128  -4.131
  262    HE2  TYR  36           1HE      TYR  36  -9.971  -3.405  -4.457
  263    HH   TYR  36           HH       TYR  36 -12.027  -3.366  -3.581
  264    H    ALA  37           H        ALA  37  -6.514   1.098  -8.470
  265    HA   ALA  37           HA       ALA  37  -5.873   3.746  -8.307
  266    HB1  ALA  37           1HB      ALA  37  -3.955   2.990  -9.170
  267    HB2  ALA  37           2HB      ALA  37  -4.731   2.710 -10.729
  268    HB3  ALA  37           3HB      ALA  37  -4.744   1.447  -9.498
  269    H    GLN  38           H        GLN  38  -7.367   2.117 -11.086
  270    HA   GLN  38           HA       GLN  38  -7.447   4.072 -12.970
  271    HB2  GLN  38           2HB      GLN  38  -9.419   1.987 -12.140
  272    HB3  GLN  38           1HB      GLN  38  -9.896   3.166 -13.363
  273    HG2  GLN  38           2HG      GLN  38  -7.255   1.755 -13.603
  274    HG3  GLN  38           1HG      GLN  38  -8.730   0.933 -14.106
  275   HE21  GLN  38          1HE2      GLN  38  -6.385   3.307 -15.033
  276   HE22  GLN  38          2HE2      GLN  38  -7.155   3.815 -16.458
  277    H    LEU  39           H        LEU  39  -9.141   4.033  -9.922
  278    HA   LEU  39           HA       LEU  39 -10.991   6.134 -10.551
  279    HB2  LEU  39           2HB      LEU  39 -10.039   5.135  -7.857
  280    HB3  LEU  39           1HB      LEU  39 -11.454   6.143  -8.144
  281    HG   LEU  39           HG       LEU  39 -11.037   3.354  -9.264
  282   HD11  LEU  39          1HD1      LEU  39 -12.372   4.430  -6.824
  283   HD12  LEU  39          2HD1      LEU  39 -11.560   2.884  -7.072
  284   HD13  LEU  39          3HD1      LEU  39 -13.194   3.132  -7.689
  285   HD21  LEU  39          3HD2      LEU  39 -13.130   5.474  -9.622
  286   HD22  LEU  39          1HD2      LEU  39 -13.641   3.786  -9.596
  287   HD23  LEU  39          2HD2      LEU  39 -12.478   4.337 -10.801
  288    H    TYR  40           H        TYR  40  -7.757   5.984  -9.151
  289    HA   TYR  40           HA       TYR  40  -7.514   8.491  -8.017
  290    HB2  TYR  40           2HB      TYR  40  -5.683   6.941  -7.871
  291    HB3  TYR  40           1HB      TYR  40  -5.499   6.908  -9.624
  292    HD1  TYR  40           1HD      TYR  40  -5.676   9.463  -6.872
  293    HD2  TYR  40           2HD      TYR  40  -3.773   8.202 -10.511
  294    HE1  TYR  40           1HE      TYR  40  -4.143  11.406  -6.742
  295    HE2  TYR  40           2HE      TYR  40  -2.238  10.143 -10.380
  296    HH   TYR  40           HH       TYR  40  -1.956  12.077  -7.567
  297    H    GLU  41           H        GLU  41  -6.776   7.640 -11.406
  298    HA   GLU  41           HA       GLU  41  -6.268  10.218 -12.336
  299    HB2  GLU  41           2HB      GLU  41  -7.596   7.979 -13.881
  300    HB3  GLU  41           1HB      GLU  41  -6.701   9.340 -14.557
  301    HG2  GLU  41           2HG      GLU  41  -4.911   7.949 -14.491
  302    HG3  GLU  41           1HG      GLU  41  -4.891   8.304 -12.765
  303    H    ASP  42           H        ASP  42  -9.276   8.666 -11.532
  304    HA   ASP  42           HA       ASP  42 -10.886  10.661 -12.914
  305    HB2  ASP  42           2HB      ASP  42 -11.785   8.499 -11.002
  306    HB3  ASP  42           1HB      ASP  42 -12.782   9.390 -12.146
  307    H    SER  43           H        SER  43  -9.478  10.144  -9.819
  308    HA   SER  43           HA       SER  43  -9.317  11.627  -8.046
  309    HB2  SER  43           2HB      SER  43 -10.137  13.331  -9.927
  310    HB3  SER  43           1HB      SER  43 -11.610  13.292  -8.962
  311    HG   SER  43           HG       SER  43  -9.628  13.446  -7.262
  312    H    GLN  44           H        GLN  44 -11.639   9.542  -8.789
  313    HA   GLN  44           HA       GLN  44 -13.562  10.227  -6.705
  314    HB2  GLN  44           2HB      GLN  44 -13.387   7.735  -8.415
  315    HB3  GLN  44           1HB      GLN  44 -14.760   8.242  -7.430
  316    HG2  GLN  44           2HG      GLN  44 -14.450  10.473  -8.900
  317    HG3  GLN  44           1HG      GLN  44 -13.812   9.296 -10.046
  318   HE21  GLN  44          1HE2      GLN  44 -15.340   7.181 -10.109
  319   HE22  GLN  44          2HE2      GLN  44 -16.998   7.523 -10.231
  320    H    PHE  45           H        PHE  45 -10.660   9.552  -6.184
  321    HA   PHE  45           HA       PHE  45 -10.514   7.019  -4.945
  322    HB2  PHE  45           2HB      PHE  45  -8.787   9.264  -5.336
  323    HB3  PHE  45           1HB      PHE  45  -8.716   8.772  -3.644
  324    HD1  PHE  45           2HD      PHE  45  -9.034   7.054  -6.967
  325    HD2  PHE  45           1HD      PHE  45  -7.042   7.214  -3.164
  326    HE1  PHE  45           2HE      PHE  45  -7.655   5.096  -7.604
  327    HE2  PHE  45           1HE      PHE  45  -5.665   5.255  -3.806
  328    HZ   PHE  45           HZ       PHE  45  -5.972   4.195  -6.022
  329    HA   PRO  46           HA       PRO  46 -11.261   9.132  -0.769
  330    HB2  PRO  46           2HB      PRO  46 -12.640  11.540  -0.825
  331    HB3  PRO  46           1HB      PRO  46 -10.890  11.376  -0.610
  332    HG2  PRO  46           2HG      PRO  46 -12.432  12.154  -3.000
  333    HG3  PRO  46           1HG      PRO  46 -10.798  12.619  -2.503
  334    HD2  PRO  46           2HD      PRO  46 -11.358  10.791  -4.490
  335    HD3  PRO  46           1HD      PRO  46  -9.831  10.838  -3.586
  336    H    ILE  47           H        ILE  47 -12.761   7.757  -0.202
  337    HA   ILE  47           HA       ILE  47 -15.552   8.351  -0.269
  338    HB   ILE  47           HB       ILE  47 -16.130   6.181  -1.531
  339   HG12  ILE  47          2HG1      ILE  47 -13.595   6.565  -3.044
  340   HG13  ILE  47          1HG1      ILE  47 -13.502   5.699  -1.510
  341   HG21  ILE  47          1HG2      ILE  47 -14.910   8.082  -3.487
  342   HG22  ILE  47          2HG2      ILE  47 -16.183   8.697  -2.429
  343   HG23  ILE  47          3HG2      ILE  47 -16.503   7.333  -3.491
  344   HD11  ILE  47          3HD1      ILE  47 -15.529   5.013  -3.647
  345   HD12  ILE  47          1HD1      ILE  47 -15.073   4.053  -2.239
  346   HD13  ILE  47          2HD1      ILE  47 -13.937   4.259  -3.573
  347    H    ASN  48           H        ASN  48 -16.748   6.165   0.412
  348    HA   ASN  48           HA       ASN  48 -15.828   5.481   2.950
  349    HB2  ASN  48           2HB      ASN  48 -17.396   3.496   2.695
  350    HB3  ASN  48           1HB      ASN  48 -18.112   5.085   2.421
  351   HD21  ASN  48          1HD2      ASN  48 -19.767   4.043   1.025
  352   HD22  ASN  48          2HD2      ASN  48 -19.363   3.567  -0.554
  353    H    ILE  49           H        ILE  49 -13.574   5.018   2.713
  354    HA   ILE  49           HA       ILE  49 -12.412   3.089   1.088
  355    HB   ILE  49           HB       ILE  49 -11.679   3.994   3.876
  356   HG12  ILE  49          2HG1      ILE  49 -10.391   4.603   1.200
  357   HG13  ILE  49          1HG1      ILE  49 -11.630   5.627   1.924
  358   HG21  ILE  49          1HG2      ILE  49 -10.446   2.060   3.847
  359   HG22  ILE  49          2HG2      ILE  49  -9.369   3.036   2.849
  360   HG23  ILE  49          3HG2      ILE  49 -10.506   1.924   2.090
  361   HD11  ILE  49          3HD1      ILE  49 -10.176   5.785   3.985
  362   HD12  ILE  49          1HD1      ILE  49  -9.486   6.541   2.550
  363   HD13  ILE  49          2HD1      ILE  49  -8.910   4.960   3.076
  364    H    VAL  50           H        VAL  50 -13.292   2.648   4.513
  365    HA   VAL  50           HA       VAL  50 -12.820  -0.015   4.821
  366    HB   VAL  50           HB       VAL  50 -15.166   1.554   5.906
  367   HG11  VAL  50          1HG1      VAL  50 -14.775  -0.268   7.778
  368   HG12  VAL  50          2HG1      VAL  50 -14.100  -1.199   6.441
  369   HG13  VAL  50          3HG1      VAL  50 -15.774  -0.643   6.374
  370   HG21  VAL  50          3HG2      VAL  50 -13.052   2.564   6.516
  371   HG22  VAL  50          1HG2      VAL  50 -12.364   0.991   6.922
  372   HG23  VAL  50          2HG2      VAL  50 -13.647   1.676   7.919
  373    H    ALA  51           H        ALA  51 -15.788   1.402   3.434
  374    HA   ALA  51           HA       ALA  51 -17.090  -1.107   3.078
  375    HB1  ALA  51           1HB      ALA  51 -18.093   1.300   3.137
  376    HB2  ALA  51           2HB      ALA  51 -18.805   0.103   2.053
  377    HB3  ALA  51           3HB      ALA  51 -17.698   1.322   1.417
  378    H    VAL  52           H        VAL  52 -14.691   0.608   1.379
  379    HA   VAL  52           HA       VAL  52 -15.181  -0.666  -1.158
  380    HB   VAL  52           HB       VAL  52 -13.665   1.544  -0.134
  381   HG11  VAL  52          1HG1      VAL  52 -11.671   0.219  -0.267
  382   HG12  VAL  52          2HG1      VAL  52 -11.696   1.311  -1.642
  383   HG13  VAL  52          3HG1      VAL  52 -12.108  -0.385  -1.866
  384   HG21  VAL  52          3HG2      VAL  52 -14.344   0.581  -2.916
  385   HG22  VAL  52          1HG2      VAL  52 -13.709   2.179  -2.528
  386   HG23  VAL  52          2HG2      VAL  52 -15.288   1.687  -1.912
  387    H    LYS  53           H        LYS  53 -12.594  -0.836   1.317
  388    HA   LYS  53           HA       LYS  53 -11.078  -2.881   0.234
  389    HB2  LYS  53           2HB      LYS  53 -11.693  -2.866   3.174
  390    HB3  LYS  53           1HB      LYS  53 -10.160  -3.184   2.361
  391    HG2  LYS  53           2HG      LYS  53 -10.485  -0.682   1.524
  392    HG3  LYS  53           1HG      LYS  53 -11.468  -0.568   2.982
  393    HD2  LYS  53           2HD      LYS  53  -8.590  -1.511   2.859
  394    HD3  LYS  53           1HD      LYS  53  -9.138   0.054   3.459
  395    HE2  LYS  53           2HE      LYS  53  -9.169  -0.988   5.481
  396    HE3  LYS  53           1HE      LYS  53 -10.706  -1.644   4.919
  397    HZ1  LYS  53           3HZ      LYS  53  -8.743  -3.183   5.735
  398    HZ2  LYS  53           1HZ      LYS  53  -8.269  -3.038   4.113
  399    HZ3  LYS  53           2HZ      LYS  53  -9.804  -3.662   4.497
  400    H    ASN  54           H        ASN  54 -14.242  -2.957   1.535
  401    HA   ASN  54           HA       ASN  54 -14.285  -5.887   1.735
  402    HB2  ASN  54           2HB      ASN  54 -16.343  -3.787   2.451
  403    HB3  ASN  54           1HB      ASN  54 -16.595  -5.524   2.621
  404   HD21  ASN  54          1HD2      ASN  54 -13.905  -3.247   3.447
  405   HD22  ASN  54          2HD2      ASN  54 -13.706  -3.838   5.024
  406    H    ASP  55           H        ASP  55 -15.731  -3.218  -0.050
  407    HA   ASP  55           HA       ASP  55 -17.687  -4.367  -1.536
  408    HB2  ASP  55           2HB      ASP  55 -16.995  -2.018  -1.757
  409    HB3  ASP  55           1HB      ASP  55 -15.543  -2.526  -2.615
  410    H    HIS  56           H        HIS  56 -14.373  -4.146  -2.856
  411    HA   HIS  56           HA       HIS  56 -14.890  -6.667  -4.315
  412    HB2  HIS  56           2HB      HIS  56 -14.475  -5.184  -6.016
  413    HB3  HIS  56           1HB      HIS  56 -13.448  -4.157  -5.014
  414    HD2  HIS  56           2HD      HIS  56 -11.066  -4.333  -6.466
  415    HE1  HIS  56           1HE      HIS  56 -10.792  -8.546  -6.534
  416    HE2  HIS  56           2HE      HIS  56  -9.585  -6.385  -7.107
  417    H    ASP  57           H        ASP  57 -12.052  -4.837  -3.148
  418    HA   ASP  57           HA       ASP  57 -10.146  -6.741  -3.075
  419    HB2  ASP  57           2HB      ASP  57 -10.405  -4.254  -1.956
  420    HB3  ASP  57           1HB      ASP  57 -10.260  -5.278  -0.529
  421    H    PHE  58           H        PHE  58 -10.559  -8.831  -2.629
  422    HA   PHE  58           HA       PHE  58 -11.247  -9.499   0.147
  423    HB2  PHE  58           2HB      PHE  58 -12.998  -9.897  -2.096
  424    HB3  PHE  58           1HB      PHE  58 -12.483 -11.463  -1.473
  425    HD1  PHE  58           2HD      PHE  58 -13.970  -8.193  -0.486
  426    HD2  PHE  58           1HD      PHE  58 -13.291 -12.293   0.600
  427    HE1  PHE  58           2HE      PHE  58 -15.512  -7.939   1.442
  428    HE2  PHE  58           1HE      PHE  58 -14.832 -12.040   2.527
  429    HZ   PHE  58           HZ       PHE  58 -15.942  -9.862   2.947
  430    H    LEU  59           H        LEU  59  -9.105  -9.714  -2.264
  431    HA   LEU  59           HA       LEU  59  -8.426 -12.543  -1.934
  432    HB2  LEU  59           2HB      LEU  59  -8.358 -11.388  -4.181
  433    HB3  LEU  59           1HB      LEU  59  -6.982 -10.462  -3.582
  434    HG   LEU  59           HG       LEU  59  -6.331 -13.077  -2.912
  435   HD11  LEU  59          1HD1      LEU  59  -7.467 -13.031  -5.724
  436   HD12  LEU  59          2HD1      LEU  59  -8.245 -13.819  -4.351
  437   HD13  LEU  59          3HD1      LEU  59  -6.681 -14.394  -4.927
  438   HD21  LEU  59          3HD2      LEU  59  -4.719 -11.511  -3.753
  439   HD22  LEU  59          1HD2      LEU  59  -5.593 -11.328  -5.272
  440   HD23  LEU  59          2HD2      LEU  59  -4.763 -12.841  -4.910
  441    H    GLU  60           H        GLU  60  -7.139 -13.152  -0.334
  442    HA   GLU  60           HA       GLU  60  -5.532 -13.154   1.295
  443    HB2  GLU  60           2HB      GLU  60  -4.337 -11.550  -0.910
  444    HB3  GLU  60           1HB      GLU  60  -3.543 -11.491   0.661
  445    HG2  GLU  60           2HG      GLU  60  -3.388 -13.930   0.713
  446    HG3  GLU  60           1HG      GLU  60  -4.261 -14.038  -0.814
  447    H    LYS  61           H        LYS  61  -5.566 -12.283   3.261
  448    HA   LYS  61           HA       LYS  61  -6.812  -9.745   3.723
  449    HB2  LYS  61           2HB      LYS  61  -6.883 -11.780   5.259
  450    HB3  LYS  61           1HB      LYS  61  -5.240 -11.352   5.739
  451    HG2  LYS  61           2HG      LYS  61  -6.416 -10.162   7.332
  452    HG3  LYS  61           1HG      LYS  61  -6.350  -8.948   6.055
  453    HD2  LYS  61           2HD      LYS  61  -8.569 -10.103   5.237
  454    HD3  LYS  61           1HD      LYS  61  -8.651 -10.682   6.901
  455    HE2  LYS  61           2HE      LYS  61  -9.840  -8.619   6.905
  456    HE3  LYS  61           1HE      LYS  61  -8.265  -8.243   7.602
  457    HZ1  LYS  61           3HZ      LYS  61  -7.870  -6.828   5.965
  458    HZ2  LYS  61           1HZ      LYS  61  -9.442  -7.084   5.381
  459    HZ3  LYS  61           2HZ      LYS  61  -8.155  -8.023   4.790
  460    H    ASP  62           H        ASP  62  -3.524 -10.891   3.460
  461    HA   ASP  62           HA       ASP  62  -2.256  -8.653   4.693
  462    HB2  ASP  62           2HB      ASP  62  -0.525 -10.056   4.472
  463    HB3  ASP  62           1HB      ASP  62  -1.457 -11.088   3.388
  464    H    LEU  63           H        LEU  63  -3.867  -9.085   1.733
  465    HA   LEU  63           HA       LEU  63  -2.452  -6.865   0.431
  466    HB2  LEU  63           2HB      LEU  63  -4.039  -9.162  -0.473
  467    HB3  LEU  63           1HB      LEU  63  -4.443  -7.658  -1.299
  468    HG   LEU  63           HG       LEU  63  -1.582  -8.565  -0.928
  469   HD11  LEU  63          1HD1      LEU  63  -1.706  -9.432  -3.245
  470   HD12  LEU  63          2HD1      LEU  63  -3.441  -9.111  -3.263
  471   HD13  LEU  63          3HD1      LEU  63  -2.780 -10.321  -2.164
  472   HD21  LEU  63          3HD2      LEU  63  -2.716  -6.175  -1.796
  473   HD22  LEU  63          1HD2      LEU  63  -2.342  -7.019  -3.298
  474   HD23  LEU  63          2HD2      LEU  63  -1.067  -6.709  -2.121
  475    H    VAL  64           H        VAL  64  -5.141  -7.450   2.380
  476    HA   VAL  64           HA       VAL  64  -6.801  -5.324   1.294
  477    HB   VAL  64           HB       VAL  64  -7.037  -7.235   3.604
  478   HG11  VAL  64          1HG1      VAL  64  -9.325  -6.008   3.906
  479   HG12  VAL  64          2HG1      VAL  64  -8.505  -4.650   3.136
  480   HG13  VAL  64          3HG1      VAL  64  -7.886  -5.311   4.647
  481   HG21  VAL  64          3HG2      VAL  64  -9.068  -7.889   2.416
  482   HG22  VAL  64          1HG2      VAL  64  -7.715  -7.894   1.285
  483   HG23  VAL  64          2HG2      VAL  64  -8.866  -6.557   1.278
  484    H    GLU  65           H        GLU  65  -4.654  -5.882   4.036
  485    HA   GLU  65           HA       GLU  65  -5.202  -3.527   5.473
  486    HB2  GLU  65           2HB      GLU  65  -3.095  -5.576   5.454
  487    HB3  GLU  65           1HB      GLU  65  -2.548  -3.984   5.981
  488    HG2  GLU  65           2HG      GLU  65  -5.074  -5.232   7.068
  489    HG3  GLU  65           1HG      GLU  65  -3.496  -5.534   7.797
  490    HA   PRO  66           HA       PRO  66  -1.390  -1.453   3.266
  491    HB2  PRO  66           2HB      PRO  66  -0.934  -2.658   0.751
  492    HB3  PRO  66           1HB      PRO  66   0.117  -2.751   2.174
  493    HG2  PRO  66           2HG      PRO  66  -1.824  -4.712   1.131
  494    HG3  PRO  66           1HG      PRO  66  -0.335  -4.968   2.053
  495    HD2  PRO  66           2HD      PRO  66  -2.794  -5.248   3.160
  496    HD3  PRO  66           1HD      PRO  66  -1.391  -4.690   4.096
  497    H    LEU  67           H        LEU  67  -4.077  -2.910   1.541
  498    HA   LEU  67           HA       LEU  67  -4.373  -0.999  -0.517
  499    HB2  LEU  67           2HB      LEU  67  -5.536  -3.237  -0.369
  500    HB3  LEU  67           1HB      LEU  67  -6.605  -2.526   0.837
  501    HG   LEU  67           HG       LEU  67  -6.657  -0.653  -1.197
  502   HD11  LEU  67          1HD1      LEU  67  -6.891  -3.375  -2.493
  503   HD12  LEU  67          2HD1      LEU  67  -5.414  -2.414  -2.574
  504   HD13  LEU  67          3HD1      LEU  67  -6.908  -1.795  -3.278
  505   HD21  LEU  67          3HD2      LEU  67  -8.603  -1.400   0.055
  506   HD22  LEU  67          1HD2      LEU  67  -8.480  -3.013  -0.641
  507   HD23  LEU  67          2HD2      LEU  67  -8.922  -1.646  -1.662
  508    H    CYS  68           H        CYS  68  -5.380  -1.055   2.844
  509    HA   CYS  68           HA       CYS  68  -7.095   1.244   2.646
  510    HB2  CYS  68           2HB      CYS  68  -7.463   0.974   4.924
  511    HB3  CYS  68           1HB      CYS  68  -7.042  -0.670   4.443
  512    HG   CYS  68           HG       CYS  68  -4.494   0.644   5.183
  513    H    ARG  69           H        ARG  69  -3.712   0.724   2.930
  514    HA   ARG  69           HA       ARG  69  -3.090   3.260   4.157
  515    HB2  ARG  69           2HB      ARG  69  -1.640   0.884   3.292
  516    HB3  ARG  69           1HB      ARG  69  -0.803   2.359   2.831
  517    HG2  ARG  69           2HG      ARG  69  -0.019   1.759   5.016
  518    HG3  ARG  69           1HG      ARG  69  -1.071   3.156   5.220
  519    HD2  ARG  69           2HD      ARG  69  -1.536   1.395   6.890
  520    HD3  ARG  69           1HD      ARG  69  -2.928   1.687   5.859
  521    HE   ARG  69           HE       ARG  69  -2.637  -0.442   4.926
  522   HH11  ARG  69          1HH2      ARG  69   0.017   0.476   6.950
  523   HH12  ARG  69          2HH2      ARG  69   0.711  -1.111   6.994
  524   HH21  ARG  69          1HH1      ARG  69  -1.734  -2.525   4.984
  525   HH22  ARG  69          2HH1      ARG  69  -0.280  -2.810   5.881
  526    H    ARG  70           H        ARG  70  -2.651   1.910   0.883
  527    HA   ARG  70           HA       ARG  70  -1.784   4.307  -0.321
  528    HB2  ARG  70           2HB      ARG  70  -3.375   2.141  -1.704
  529    HB3  ARG  70           1HB      ARG  70  -2.192   3.228  -2.420
  530    HG2  ARG  70           2HG      ARG  70  -1.705   0.915  -0.548
  531    HG3  ARG  70           1HG      ARG  70  -1.041   1.169  -2.156
  532    HD2  ARG  70           2HD      ARG  70   0.099   3.254  -1.181
  533    HD3  ARG  70           1HD      ARG  70  -0.337   2.614   0.401
  534    HE   ARG  70           HE       ARG  70   1.023   0.686  -1.252
  535   HH11  ARG  70          1HH2      ARG  70   1.367   3.378   0.894
  536   HH12  ARG  70          2HH2      ARG  70   2.962   2.942   1.409
  537   HH21  ARG  70          1HH1      ARG  70   3.114   0.106  -0.582
  538   HH22  ARG  70          2HH1      ARG  70   3.951   1.089   0.573
  539    H    LEU  71           H        LEU  71  -5.033   2.826  -0.297
  540    HA   LEU  71           HA       LEU  71  -6.382   4.852  -1.644
  541    HB2  LEU  71           2HB      LEU  71  -7.339   3.051   0.587
  542    HB3  LEU  71           1HB      LEU  71  -8.405   4.065  -0.381
  543    HG   LEU  71           HG       LEU  71  -6.540   1.960  -1.521
  544   HD11  LEU  71          1HD1      LEU  71  -8.635   0.672  -1.911
  545   HD12  LEU  71          2HD1      LEU  71  -9.524   1.890  -0.996
  546   HD13  LEU  71          3HD1      LEU  71  -8.299   0.907  -0.196
  547   HD21  LEU  71          3HD2      LEU  71  -8.439   3.954  -2.687
  548   HD22  LEU  71          1HD2      LEU  71  -8.391   2.354  -3.425
  549   HD23  LEU  71          2HD2      LEU  71  -6.926   3.330  -3.339
  550    H    ASN  72           H        ASN  72  -5.914   4.486   1.871
  551    HA   ASN  72           HA       ASN  72  -7.167   6.899   2.607
  552    HB2  ASN  72           2HB      ASN  72  -6.658   5.131   4.225
  553    HB3  ASN  72           1HB      ASN  72  -4.931   5.404   3.998
  554   HD21  ASN  72          1HD2      ASN  72  -4.120   6.586   5.729
  555   HD22  ASN  72          2HD2      ASN  72  -4.926   7.866   6.497
  556    H    THR  73           H        THR  73  -3.948   6.199   1.423
  557    HA   THR  73           HA       THR  73  -2.793   8.714   2.171
  558    HB   THR  73           HB       THR  73  -1.914   6.763   0.027
  559    HG1  THR  73           1HG      THR  73  -1.023   7.061   2.699
  560   HG21  THR  73          3HG2      THR  73  -0.355   8.315  -0.433
  561   HG22  THR  73          1HG2      THR  73   0.248   8.136   1.215
  562   HG23  THR  73          2HG2      THR  73  -0.965   9.362   0.849
  563    H    LEU  74           H        LEU  74  -3.732   7.400  -1.022
  564    HA   LEU  74           HA       LEU  74  -3.460   9.847  -2.393
  565    HB2  LEU  74           2HB      LEU  74  -4.703   7.209  -2.949
  566    HB3  LEU  74           1HB      LEU  74  -5.291   8.562  -3.912
  567    HG   LEU  74           HG       LEU  74  -2.361   7.846  -3.577
  568   HD11  LEU  74          1HD1      LEU  74  -2.457   6.855  -5.762
  569   HD12  LEU  74          2HD1      LEU  74  -4.116   7.401  -6.003
  570   HD13  LEU  74          3HD1      LEU  74  -3.765   6.142  -4.822
  571   HD21  LEU  74          3HD2      LEU  74  -3.834  10.067  -4.856
  572   HD22  LEU  74          1HD2      LEU  74  -2.628   9.303  -5.891
  573   HD23  LEU  74          2HD2      LEU  74  -2.154   9.983  -4.335
  574    H    ASN  75           H        ASN  75  -6.256   8.312  -0.845
  575    HA   ASN  75           HA       ASN  75  -8.325   9.914  -1.639
  576    HB2  ASN  75           2HB      ASN  75  -7.684   8.722   1.050
  577    HB3  ASN  75           1HB      ASN  75  -9.160   9.650   0.789
  578   HD21  ASN  75          1HD2      ASN  75 -10.354   7.578   1.175
  579   HD22  ASN  75          2HD2      ASN  75 -10.474   6.448  -0.082
  580    H    LYS  76           H        LYS  76  -5.583  10.801   0.274
  581    HA   LYS  76           HA       LYS  76  -6.792  13.332   1.109
  582    HB2  LYS  76           2HB      LYS  76  -4.765  11.630   2.150
  583    HB3  LYS  76           1HB      LYS  76  -4.011  13.174   1.753
  584    HG2  LYS  76           2HG      LYS  76  -4.864  13.286   4.027
  585    HG3  LYS  76           1HG      LYS  76  -5.847  14.333   3.003
  586    HD2  LYS  76           2HD      LYS  76  -7.668  13.200   3.689
  587    HD3  LYS  76           1HD      LYS  76  -7.038  11.775   2.862
  588    HE2  LYS  76           2HE      LYS  76  -6.409  12.588   5.714
  589    HE3  LYS  76           1HE      LYS  76  -7.473  11.268   5.227
  590    HZ1  LYS  76           3HZ      LYS  76  -4.713  11.348   4.223
  591    HZ2  LYS  76           1HZ      LYS  76  -5.726  10.011   4.478
  592    HZ3  LYS  76           2HZ      LYS  76  -5.006  10.796   5.803
  593    H    CYS  77           H        CYS  77  -4.128  12.121  -0.897
  594    HA   CYS  77           HA       CYS  77  -3.334  14.756  -1.753
  595    HB2  CYS  77           2HB      CYS  77  -1.889  12.606  -1.597
  596    HB3  CYS  77           1HB      CYS  77  -2.592  12.208  -3.166
  597    HG   CYS  77           HG       CYS  77  -0.297  13.762  -3.217
  598    H    ALA  78           H        ALA  78  -5.835  12.657  -2.598
  599    HA   ALA  78           HA       ALA  78  -5.982  13.452  -5.393
  600    HB1  ALA  78           1HB      ALA  78  -7.598  11.652  -3.609
  601    HB2  ALA  78           2HB      ALA  78  -6.728  11.254  -5.090
  602    HB3  ALA  78           3HB      ALA  78  -8.234  12.171  -5.170
  603    H    SER  79           H        SER  79  -6.412  15.200  -2.803
  604    HA   SER  79           HA       SER  79  -9.067  16.278  -3.423
  605    HB2  SER  79           2HB      SER  79  -7.136  17.113  -1.251
  606    HB3  SER  79           1HB      SER  79  -8.835  17.558  -1.386
  607    HG   SER  79           HG       SER  79  -9.205  15.794  -0.315
  608    H    MET  80           H        MET  80  -5.816  16.795  -4.218
  609    HA   MET  80           HA       MET  80  -4.682  18.508  -5.255
  610    HB2  MET  80           2HB      MET  80  -7.476  19.169  -6.221
  611    HB3  MET  80           1HB      MET  80  -5.972  19.743  -6.943
  612    HG2  MET  80           2HG      MET  80  -5.663  17.803  -8.053
  613    HG3  MET  80           1HG      MET  80  -5.972  16.848  -6.604
  614    HE1  MET  80           3HE      MET  80  -7.218  18.715  -9.569
  615    HE2  MET  80           1HE      MET  80  -8.369  19.499  -8.476
  616    HE3  MET  80           2HE      MET  80  -8.943  18.387  -9.718
  617    H    LYS  81           H        LYS  81  -6.143  18.973  -2.574
  618    HA   LYS  81           HA       LYS  81  -6.491  20.703  -1.096
  619    HB2  LYS  81           2HB      LYS  81  -4.150  21.464  -2.756
  620    HB3  LYS  81           1HB      LYS  81  -4.872  22.742  -1.777
  621    HG2  LYS  81           2HG      LYS  81  -4.595  21.463   0.242
  622    HG3  LYS  81           1HG      LYS  81  -4.123  20.026  -0.667
  623    HD2  LYS  81           2HD      LYS  81  -2.483  22.391  -1.272
  624    HD3  LYS  81           1HD      LYS  81  -2.365  21.857   0.405
  625    HE2  LYS  81           2HE      LYS  81  -0.702  20.755  -1.131
  626    HE3  LYS  81           1HE      LYS  81  -1.751  19.619  -0.280
  627    HZ1  LYS  81           3HZ      LYS  81  -1.917  18.857  -2.411
  628    HZ2  LYS  81           1HZ      LYS  81  -1.756  20.394  -3.109
  629    HZ3  LYS  81           2HZ      LYS  81  -3.226  19.940  -2.387
  Start of MODEL    2
    1    H1   MET   1           1HT      MET   1 -17.569  19.915  36.869
    2    H2   MET   1           2HT      MET   1 -17.871  18.690  38.007
    3    H3   MET   1           3HT      MET   1 -16.646  18.492  36.845
    4    HA   MET   1           HA       MET   1 -16.077  20.854  38.180
    5    HB2  MET   1           2HB      MET   1 -17.548  19.043  39.833
    6    HB3  MET   1           1HB      MET   1 -15.871  19.041  40.379
    7    HG2  MET   1           2HG      MET   1 -17.134  20.812  41.524
    8    HG3  MET   1           1HG      MET   1 -15.908  21.515  40.471
    9    HE1  MET   1           2HE      MET   1 -19.585  20.022  39.204
   10    HE2  MET   1           3HE      MET   1 -20.416  21.339  40.027
   11    HE3  MET   1           1HE      MET   1 -19.327  20.276  40.928
   12    H    HIS   2           H        HIS   2 -15.646  17.434  37.619
   13    HA   HIS   2           HA       HIS   2 -12.833  17.443  38.311
   14    HB2  HIS   2           2HB      HIS   2 -14.222  15.301  36.717
   15    HB3  HIS   2           1HB      HIS   2 -12.859  15.144  37.826
   16    HD2  HIS   2           2HD      HIS   2 -16.778  15.459  37.986
   17    HE1  HIS   2           1HE      HIS   2 -15.356  14.673  41.883
   18    HE2  HIS   2           2HE      HIS   2 -17.440  14.899  40.449
   19    H    HIS   3           H        HIS   3 -11.323  18.265  37.026
   20    HA   HIS   3           HA       HIS   3 -11.806  19.038  34.331
   21    HB2  HIS   3           2HB      HIS   3  -9.068  18.640  35.519
   22    HB3  HIS   3           1HB      HIS   3  -9.587  19.825  34.320
   23    HD2  HIS   3           2HD      HIS   3 -10.724  22.171  35.389
   24    HE1  HIS   3           1HE      HIS   3 -10.435  21.049  39.450
   25    HE2  HIS   3           2HE      HIS   3 -10.980  22.959  37.866
   26    H    HIS   4           H        HIS   4 -10.527  18.285  32.463
   27    HA   HIS   4           HA       HIS   4 -10.382  15.347  32.462
   28    HB2  HIS   4           2HB      HIS   4 -10.254  17.124  30.033
   29    HB3  HIS   4           1HB      HIS   4 -10.736  15.430  30.133
   30    HD2  HIS   4           2HD      HIS   4 -13.310  15.073  31.559
   31    HE1  HIS   4           1HE      HIS   4 -14.562  19.021  30.738
   32    HE2  HIS   4           2HE      HIS   4 -15.325  16.736  31.541
   33    H    HIS   5           H        HIS   5  -8.576  14.245  31.679
   34    HA   HIS   5           HA       HIS   5  -6.242  15.603  30.713
   35    HB2  HIS   5           2HB      HIS   5  -6.550  15.274  33.572
   36    HB3  HIS   5           1HB      HIS   5  -5.155  14.368  32.985
   37    HD2  HIS   5           2HD      HIS   5  -5.834  17.877  34.106
   38    HE1  HIS   5           1HE      HIS   5  -2.744  18.268  31.255
   39    HE2  HIS   5           2HE      HIS   5  -4.016  19.460  33.101
   40    H    HIS   6           H        HIS   6  -8.159  13.146  30.532
   41    HA   HIS   6           HA       HIS   6  -6.404  10.877  30.735
   42    HB2  HIS   6           2HB      HIS   6  -9.129  11.198  30.602
   43    HB3  HIS   6           1HB      HIS   6  -8.746  10.605  28.985
   44    HD2  HIS   6           2HD      HIS   6  -7.903   7.918  28.876
   45    HE1  HIS   6           1HE      HIS   6  -8.100   7.175  33.027
   46    HE2  HIS   6           2HE      HIS   6  -7.768   6.103  30.750
   47    H    HIS   7           H        HIS   7  -5.562  13.168  29.033
   48    HA   HIS   7           HA       HIS   7  -4.586  13.558  26.987
   49    HB2  HIS   7           2HB      HIS   7  -4.348  10.539  27.066
   50    HB3  HIS   7           1HB      HIS   7  -3.467  11.599  25.967
   51    HD2  HIS   7           2HD      HIS   7  -1.381  10.186  27.837
   52    HE1  HIS   7           1HE      HIS   7  -1.677  13.454  30.492
   53    HE2  HIS   7           2HE      HIS   7  -0.279  11.435  29.846
   54    H    SER   8           H        SER   8  -4.565  12.260  24.596
   55    HA   SER   8           HA       SER   8  -7.244  11.443  23.850
   56    HB2  SER   8           2HB      SER   8  -7.191  14.024  23.942
   57    HB3  SER   8           1HB      SER   8  -6.170  13.918  22.511
   58    HG   SER   8           HG       SER   8  -8.407  14.075  22.004
   59    H    SER   9           H        SER   9  -6.630  12.483  21.072
   60    HA   SER   9           HA       SER   9  -4.229  11.199  20.199
   61    HB2  SER   9           2HB      SER   9  -4.947   9.090  19.961
   62    HB3  SER   9           1HB      SER   9  -6.548   9.540  20.543
   63    HG   SER   9           HG       SER   9  -5.571   9.289  17.949
   64    H    GLY  10           H        GLY  10  -3.642  12.200  18.386
   65    HA2  GLY  10           2HA      GLY  10  -5.200  12.633  16.119
   66    HA3  GLY  10           1HA      GLY  10  -5.315  14.096  17.091
   67    H    LEU  11           H        LEU  11  -3.477  12.409  14.810
   68    HA   LEU  11           HA       LEU  11  -1.524  14.535  14.685
   69    HB2  LEU  11           2HB      LEU  11  -0.909  12.086  16.097
   70    HB3  LEU  11           1HB      LEU  11   0.135  12.270  14.688
   71    HG   LEU  11           HG       LEU  11  -0.350  14.468  16.717
   72   HD11  LEU  11          1HD1      LEU  11   0.808  12.463  17.688
   73   HD12  LEU  11          2HD1      LEU  11   1.816  13.909  17.658
   74   HD13  LEU  11          3HD1      LEU  11   2.057  12.643  16.454
   75   HD21  LEU  11          3HD2      LEU  11   2.123  14.560  15.215
   76   HD22  LEU  11          1HD2      LEU  11   0.834  15.762  15.298
   77   HD23  LEU  11          2HD2      LEU  11   0.749  14.459  14.113
   78    H    VAL  12           H        VAL  12  -1.387  14.945  12.587
   79    HA   VAL  12           HA       VAL  12  -1.256  12.685  10.693
   80    HB   VAL  12           HB       VAL  12  -2.784  15.220  10.110
   81   HG11  VAL  12          1HG1      VAL  12  -1.817  13.336   8.419
   82   HG12  VAL  12          2HG1      VAL  12  -3.315  14.219   8.121
   83   HG13  VAL  12          3HG1      VAL  12  -3.367  12.604   8.829
   84   HG21  VAL  12          3HG2      VAL  12  -3.621  12.695  11.499
   85   HG22  VAL  12          1HG2      VAL  12  -4.762  13.477  10.404
   86   HG23  VAL  12          2HG2      VAL  12  -4.133  14.357  11.798
   87    HA   PRO  13           HA       PRO  13   2.058  15.814   9.905
   88    HB2  PRO  13           2HB      PRO  13   4.201  14.182  10.239
   89    HB3  PRO  13           1HB      PRO  13   3.400  14.995  11.596
   90    HG2  PRO  13           2HG      PRO  13   3.255  12.168  10.735
   91    HG3  PRO  13           1HG      PRO  13   3.154  12.866  12.358
   92    HD2  PRO  13           2HD      PRO  13   0.973  12.010  10.804
   93    HD3  PRO  13           1HD      PRO  13   0.879  13.040  12.249
   94    H    ARG  14           H        ARG  14   3.575  15.916   8.109
   95    HA   ARG  14           HA       ARG  14   2.630  14.663   5.756
   96    HB2  ARG  14           2HB      ARG  14   5.346  15.938   6.120
   97    HB3  ARG  14           1HB      ARG  14   4.413  15.793   4.630
   98    HG2  ARG  14           2HG      ARG  14   3.602  17.405   7.069
   99    HG3  ARG  14           1HG      ARG  14   4.227  18.069   5.558
  100    HD2  ARG  14           2HD      ARG  14   1.934  18.267   5.219
  101    HD3  ARG  14           1HD      ARG  14   2.257  16.704   4.476
  102    HE   ARG  14           HE       ARG  14   1.664  16.150   7.119
  103   HH11  ARG  14          1HH2      ARG  14   0.156  17.746   4.444
  104   HH12  ARG  14          2HH2      ARG  14  -1.457  17.352   4.941
  105   HH21  ARG  14          1HH1      ARG  14  -0.448  15.630   7.776
  106   HH22  ARG  14          2HH1      ARG  14  -1.799  16.153   6.826
  107    H    GLY  15           H        GLY  15   5.309  14.152   4.609
  108    HA2  GLY  15           2HA      GLY  15   7.052  12.430   5.403
  109    HA3  GLY  15           1HA      GLY  15   5.639  11.408   5.642
  110    H    SER  16           H        SER  16   6.128   9.868   4.105
  111    HA   SER  16           HA       SER  16   6.872  10.577   1.414
  112    HB2  SER  16           2HB      SER  16   6.970   8.249   1.003
  113    HB3  SER  16           1HB      SER  16   7.503   8.435   2.671
  114    HG   SER  16           HG       SER  16   5.746   7.461   3.337
  115    H    GLN  17           H        GLN  17   4.108  11.145   2.873
  116    HA   GLN  17           HA       GLN  17   1.977   9.962   1.675
  117    HB2  GLN  17           2HB      GLN  17   2.076  12.021   3.258
  118    HB3  GLN  17           1HB      GLN  17   2.094  12.964   1.767
  119    HG2  GLN  17           2HG      GLN  17  -0.204  12.761   2.368
  120    HG3  GLN  17           1HG      GLN  17   0.048  11.618   1.051
  121   HE21  GLN  17          1HE2      GLN  17   1.628  10.319   3.688
  122   HE22  GLN  17          2HE2      GLN  17   0.385   9.335   4.291
  123    H    GLU  18           H        GLU  18   4.290  12.118   0.169
  124    HA   GLU  18           HA       GLU  18   2.800  12.569  -2.228
  125    HB2  GLU  18           2HB      GLU  18   5.584  13.065  -1.296
  126    HB3  GLU  18           1HB      GLU  18   5.304  13.031  -3.037
  127    HG2  GLU  18           2HG      GLU  18   3.554  14.647  -1.184
  128    HG3  GLU  18           1HG      GLU  18   5.044  15.306  -1.860
  129    H    ILE  19           H        ILE  19   5.879  10.797  -1.884
  130    HA   ILE  19           HA       ILE  19   5.754   9.401  -4.274
  131    HB   ILE  19           HB       ILE  19   6.967   8.580  -1.627
  132   HG12  ILE  19          2HG1      ILE  19   8.769   9.239  -3.800
  133   HG13  ILE  19          1HG1      ILE  19   7.643  10.565  -3.509
  134   HG21  ILE  19          1HG2      ILE  19   8.406   7.170  -3.322
  135   HG22  ILE  19          2HG2      ILE  19   6.971   7.294  -4.343
  136   HG23  ILE  19          3HG2      ILE  19   6.861   6.538  -2.753
  137   HD11  ILE  19          3HD1      ILE  19   9.741  10.673  -2.112
  138   HD12  ILE  19          1HD1      ILE  19   9.214   9.192  -1.314
  139   HD13  ILE  19          2HD1      ILE  19   8.249  10.661  -1.172
  140    H    GLU  20           H        GLU  20   3.876   8.986  -1.436
  141    HA   GLU  20           HA       GLU  20   3.187   6.234  -1.799
  142    HB2  GLU  20           2HB      GLU  20   2.060   8.501  -0.182
  143    HB3  GLU  20           1HB      GLU  20   1.195   6.969  -0.302
  144    HG2  GLU  20           2HG      GLU  20   4.097   6.781   0.292
  145    HG3  GLU  20           1HG      GLU  20   3.084   7.446   1.574
  146    H    ALA  21           H        ALA  21   2.040   9.255  -3.099
  147    HA   ALA  21           HA       ALA  21  -0.495   8.328  -4.022
  148    HB1  ALA  21           1HB      ALA  21  -0.193  10.331  -5.647
  149    HB2  ALA  21           2HB      ALA  21   1.256  10.676  -4.703
  150    HB3  ALA  21           3HB      ALA  21  -0.323  10.662  -3.920
  151    H    LYS  22           H        LYS  22   2.401   9.171  -5.950
  152    HA   LYS  22           HA       LYS  22   1.603   7.956  -8.314
  153    HB2  LYS  22           2HB      LYS  22   4.020   9.086  -7.255
  154    HB3  LYS  22           1HB      LYS  22   4.408   7.580  -8.088
  155    HG2  LYS  22           2HG      LYS  22   2.687   9.769  -9.291
  156    HG3  LYS  22           1HG      LYS  22   4.418   9.613  -9.580
  157    HD2  LYS  22           2HD      LYS  22   4.126   7.921 -11.047
  158    HD3  LYS  22           1HD      LYS  22   2.999   7.087  -9.978
  159    HE2  LYS  22           2HE      LYS  22   2.207   9.533 -11.572
  160    HE3  LYS  22           1HE      LYS  22   2.036   7.896 -12.203
  161    HZ1  LYS  22           3HZ      LYS  22  -0.006   8.427 -11.204
  162    HZ2  LYS  22           1HZ      LYS  22   0.732   9.071  -9.820
  163    HZ3  LYS  22           2HZ      LYS  22   0.775   7.396 -10.102
  164    H    GLU  23           H        GLU  23   3.107   6.553  -5.465
  165    HA   GLU  23           HA       GLU  23   3.573   3.984  -6.665
  166    HB2  GLU  23           2HB      GLU  23   3.557   4.994  -3.819
  167    HB3  GLU  23           1HB      GLU  23   3.781   3.286  -4.201
  168    HG2  GLU  23           2HG      GLU  23   5.461   5.427  -5.505
  169    HG3  GLU  23           1HG      GLU  23   5.908   4.717  -3.955
  170    H    ALA  24           H        ALA  24   1.248   5.214  -4.276
  171    HA   ALA  24           HA       ALA  24  -0.358   3.113  -3.793
  172    HB1  ALA  24           1HB      ALA  24  -1.018   5.113  -2.782
  173    HB2  ALA  24           2HB      ALA  24  -2.300   4.843  -3.961
  174    HB3  ALA  24           3HB      ALA  24  -1.015   5.997  -4.306
  175    H    CYS  25           H        CYS  25  -0.742   5.225  -6.666
  176    HA   CYS  25           HA       CYS  25  -2.778   3.599  -7.826
  177    HB2  CYS  25           2HB      CYS  25  -2.983   5.574  -8.880
  178    HB3  CYS  25           1HB      CYS  25  -1.328   6.042  -8.490
  179    HG   CYS  25           HG       CYS  25  -2.115   4.328 -10.983
  180    H    ASP  26           H        ASP  26   0.733   3.754  -8.166
  181    HA   ASP  26           HA       ASP  26   0.775   1.882 -10.377
  182    HB2  ASP  26           2HB      ASP  26   2.495   3.752  -9.808
  183    HB3  ASP  26           1HB      ASP  26   3.160   2.568  -8.684
  184    H    TRP  27           H        TRP  27   0.425   1.643  -7.040
  185    HA   TRP  27           HA       TRP  27   1.692  -0.986  -6.826
  186    HB2  TRP  27           2HB      TRP  27   2.013   0.597  -4.986
  187    HB3  TRP  27           1HB      TRP  27   0.267   0.720  -4.770
  188    HD1  TRP  27           HD       TRP  27   3.177  -1.734  -4.351
  189    HE1  TRP  27           1HE      TRP  27   2.443  -3.612  -2.744
  190    HE3  TRP  27           3HE      TRP  27  -1.757  -0.541  -3.795
  191    HZ2  TRP  27           2HZ      TRP  27   0.075  -4.490  -1.398
  192    HZ3  TRP  27           3HZ      TRP  27  -3.227  -1.915  -2.349
  193    HH2  TRP  27           HH       TRP  27  -2.319  -3.884  -1.150
  194    H    LEU  28           H        LEU  28  -1.516   0.512  -6.427
  195    HA   LEU  28           HA       LEU  28  -3.041  -1.669  -5.759
  196    HB2  LEU  28           2HB      LEU  28  -3.668   0.617  -7.633
  197    HB3  LEU  28           1HB      LEU  28  -4.879  -0.559  -7.125
  198    HG   LEU  28           HG       LEU  28  -3.212   0.815  -5.039
  199   HD11  LEU  28          1HD1      LEU  28  -5.293   2.055  -6.771
  200   HD12  LEU  28          2HD1      LEU  28  -3.927   2.801  -5.944
  201   HD13  LEU  28          3HD1      LEU  28  -5.387   2.395  -5.043
  202   HD21  LEU  28          3HD2      LEU  28  -6.132   0.335  -4.772
  203   HD22  LEU  28          1HD2      LEU  28  -4.837   0.084  -3.604
  204   HD23  LEU  28          2HD2      LEU  28  -5.118  -1.103  -4.875
  205    H    ARG  29           H        ARG  29  -1.376  -1.058  -8.717
  206    HA   ARG  29           HA       ARG  29  -2.859  -3.052 -10.235
  207    HB2  ARG  29           2HB      ARG  29  -0.278  -2.076 -11.284
  208    HB3  ARG  29           1HB      ARG  29  -1.853  -2.173 -12.071
  209    HG2  ARG  29           2HG      ARG  29  -2.566  -0.219 -10.591
  210    HG3  ARG  29           1HG      ARG  29  -0.864  -0.045 -10.163
  211    HD2  ARG  29           2HD      ARG  29  -1.525   1.435 -12.056
  212    HD3  ARG  29           1HD      ARG  29  -0.263   0.288 -12.499
  213    HE   ARG  29           HE       ARG  29  -1.751  -0.671 -13.994
  214   HH11  ARG  29          1HH2      ARG  29  -3.426   1.239 -11.644
  215   HH12  ARG  29          2HH2      ARG  29  -4.972   1.069 -12.406
  216   HH21  ARG  29          1HH1      ARG  29  -3.776  -0.900 -14.996
  217   HH22  ARG  29          2HH1      ARG  29  -5.171  -0.141 -14.304
  218    H    ALA  30           H        ALA  30   0.087  -2.786  -8.386
  219    HA   ALA  30           HA       ALA  30   1.240  -5.241  -9.373
  220    HB1  ALA  30           1HB      ALA  30   1.912  -3.313  -7.167
  221    HB2  ALA  30           2HB      ALA  30   2.853  -3.730  -8.598
  222    HB3  ALA  30           3HB      ALA  30   2.719  -4.878  -7.267
  223    H    ALA  31           H        ALA  31  -1.242  -4.470  -7.237
  224    HA   ALA  31           HA       ALA  31  -0.882  -6.895  -5.617
  225    HB1  ALA  31           1HB      ALA  31  -1.455  -4.676  -4.545
  226    HB2  ALA  31           2HB      ALA  31  -2.555  -5.999  -4.157
  227    HB3  ALA  31           3HB      ALA  31  -3.025  -4.780  -5.343
  228    H    GLY  32           H        GLY  32  -2.516  -5.768  -8.372
  229    HA2  GLY  32           2HA      GLY  32  -3.706  -7.225  -9.829
  230    HA3  GLY  32           1HA      GLY  32  -4.135  -8.220  -8.440
  231    H    PHE  33           H        PHE  33  -4.430  -4.845  -7.969
  232    HA   PHE  33           HA       PHE  33  -7.333  -4.937  -8.528
  233    HB2  PHE  33           2HB      PHE  33  -6.245  -3.439  -6.167
  234    HB3  PHE  33           1HB      PHE  33  -7.877  -4.045  -6.446
  235    HD1  PHE  33           1HD      PHE  33  -7.720  -6.773  -7.077
  236    HD2  PHE  33           2HD      PHE  33  -5.170  -4.558  -4.423
  237    HE1  PHE  33           1HE      PHE  33  -7.155  -8.866  -5.874
  238    HE2  PHE  33           2HE      PHE  33  -4.605  -6.652  -3.220
  239    HZ   PHE  33           HZ       PHE  33  -5.596  -8.804  -3.944
  240    HA   PRO  34           HA       PRO  34  -5.083  -1.139 -10.215
  241    HB2  PRO  34           2HB      PRO  34  -5.691  -1.586 -12.860
  242    HB3  PRO  34           1HB      PRO  34  -4.196  -2.136 -12.081
  243    HG2  PRO  34           2HG      PRO  34  -6.662  -3.657 -12.733
  244    HG3  PRO  34           1HG      PRO  34  -4.968  -4.168 -12.794
  245    HD2  PRO  34           2HD      PRO  34  -6.669  -4.869 -10.764
  246    HD3  PRO  34           1HD      PRO  34  -4.911  -4.716 -10.552
  247    H    GLN  35           H        GLN  35  -8.187  -2.555 -10.278
  248    HA   GLN  35           HA       GLN  35  -9.679  -0.655 -11.724
  249    HB2  GLN  35           2HB      GLN  35 -11.610  -1.548 -10.605
  250    HB3  GLN  35           1HB      GLN  35 -10.507  -2.889 -10.909
  251    HG2  GLN  35           2HG      GLN  35 -10.868  -3.319  -8.694
  252    HG3  GLN  35           1HG      GLN  35  -9.610  -2.101  -8.481
  253   HE21  GLN  35          1HE2      GLN  35 -10.334  -0.991  -6.625
  254   HE22  GLN  35          2HE2      GLN  35 -11.861  -0.260  -6.498
  255    H    TYR  36           H        TYR  36  -7.955  -0.332  -8.837
  256    HA   TYR  36           HA       TYR  36  -9.653   1.725  -7.677
  257    HB2  TYR  36           2HB      TYR  36  -7.018   0.479  -6.933
  258    HB3  TYR  36           1HB      TYR  36  -7.588   1.944  -6.131
  259    HD1  TYR  36           2HD      TYR  36 -10.121   1.870  -5.345
  260    HD2  TYR  36           1HD      TYR  36  -7.679  -1.589  -6.068
  261    HE1  TYR  36           2HE      TYR  36 -11.627   0.510  -3.921
  262    HE2  TYR  36           1HE      TYR  36  -9.184  -2.947  -4.645
  263    HH   TYR  36           HH       TYR  36 -10.882  -2.267  -2.585
  264    H    ALA  37           H        ALA  37  -6.197   1.719  -8.587
  265    HA   ALA  37           HA       ALA  37  -5.605   4.341  -8.648
  266    HB1  ALA  37           1HB      ALA  37  -3.915   3.884 -10.214
  267    HB2  ALA  37           2HB      ALA  37  -4.882   2.662 -11.037
  268    HB3  ALA  37           3HB      ALA  37  -4.201   2.322  -9.446
  269    H    GLN  38           H        GLN  38  -7.415   2.627 -11.161
  270    HA   GLN  38           HA       GLN  38  -7.684   4.506 -13.121
  271    HB2  GLN  38           2HB      GLN  38  -9.359   2.330 -12.067
  272    HB3  GLN  38           1HB      GLN  38 -10.253   3.570 -12.951
  273    HG2  GLN  38           2HG      GLN  38  -7.743   2.258 -14.019
  274    HG3  GLN  38           1HG      GLN  38  -9.365   1.672 -14.380
  275   HE21  GLN  38          1HE2      GLN  38  -7.053   4.248 -15.027
  276   HE22  GLN  38          2HE2      GLN  38  -7.969   5.015 -16.232
  277    H    LEU  39           H        LEU  39  -9.467   4.361 -10.063
  278    HA   LEU  39           HA       LEU  39 -11.241   6.473 -10.456
  279    HB2  LEU  39           2HB      LEU  39  -9.881   5.456  -7.957
  280    HB3  LEU  39           1HB      LEU  39 -11.137   6.686  -7.923
  281    HG   LEU  39           HG       LEU  39 -11.470   3.948  -9.182
  282   HD11  LEU  39          1HD1      LEU  39 -11.661   3.200  -7.064
  283   HD12  LEU  39          2HD1      LEU  39 -13.142   4.151  -6.960
  284   HD13  LEU  39          3HD1      LEU  39 -11.615   4.837  -6.409
  285   HD21  LEU  39          3HD2      LEU  39 -13.963   4.939  -8.535
  286   HD22  LEU  39          1HD2      LEU  39 -13.237   5.012 -10.139
  287   HD23  LEU  39          2HD2      LEU  39 -13.116   6.395  -9.053
  288    H    TYR  40           H        TYR  40  -7.838   6.504  -9.547
  289    HA   TYR  40           HA       TYR  40  -7.518   9.087  -8.618
  290    HB2  TYR  40           2HB      TYR  40  -5.711   7.368  -8.785
  291    HB3  TYR  40           1HB      TYR  40  -5.632   7.677 -10.519
  292    HD1  TYR  40           2HD      TYR  40  -5.659   9.596  -7.287
  293    HD2  TYR  40           1HD      TYR  40  -4.073   9.245 -11.266
  294    HE1  TYR  40           2HE      TYR  40  -4.181  11.543  -6.871
  295    HE2  TYR  40           1HE      TYR  40  -2.596  11.190 -10.847
  296    HH   TYR  40           HH       TYR  40  -1.966  12.398  -7.802
  297    H    GLU  41           H        GLU  41  -7.082   8.082 -12.019
  298    HA   GLU  41           HA       GLU  41  -6.762  10.501 -13.229
  299    HB2  GLU  41           2HB      GLU  41  -8.649   8.458 -14.389
  300    HB3  GLU  41           1HB      GLU  41  -7.522   9.519 -15.236
  301    HG2  GLU  41           2HG      GLU  41  -5.678   8.282 -13.899
  302    HG3  GLU  41           1HG      GLU  41  -6.914   7.065 -13.592
  303    H    ASP  42           H        ASP  42  -9.764   9.128 -11.994
  304    HA   ASP  42           HA       ASP  42 -11.374  11.312 -13.026
  305    HB2  ASP  42           2HB      ASP  42 -11.843   8.715 -11.748
  306    HB3  ASP  42           1HB      ASP  42 -12.940   9.979 -11.198
  307    H    SER  43           H        SER  43  -9.667  10.495 -10.121
  308    HA   SER  43           HA       SER  43  -9.137  11.856  -8.324
  309    HB2  SER  43           2HB      SER  43  -9.842  13.730 -10.094
  310    HB3  SER  43           1HB      SER  43 -11.203  13.892  -8.988
  311    HG   SER  43           HG       SER  43  -9.238  13.744  -7.393
  312    H    GLN  44           H        GLN  44 -11.499   9.947  -8.677
  313    HA   GLN  44           HA       GLN  44 -13.208  10.906  -6.475
  314    HB2  GLN  44           2HB      GLN  44 -13.613   8.586  -8.379
  315    HB3  GLN  44           1HB      GLN  44 -14.760   9.128  -7.153
  316    HG2  GLN  44           2HG      GLN  44 -13.730  11.027  -9.255
  317    HG3  GLN  44           1HG      GLN  44 -15.095   9.962  -9.587
  318   HE21  GLN  44          1HE2      GLN  44 -17.089  10.883  -9.097
  319   HE22  GLN  44          2HE2      GLN  44 -17.344  12.089  -7.930
  320    H    PHE  45           H        PHE  45 -10.515   9.984  -6.029
  321    HA   PHE  45           HA       PHE  45 -10.537   7.294  -5.075
  322    HB2  PHE  45           2HB      PHE  45  -8.627   9.393  -5.378
  323    HB3  PHE  45           1HB      PHE  45  -8.552   8.800  -3.718
  324    HD1  PHE  45           2HD      PHE  45  -8.693   7.598  -7.258
  325    HD2  PHE  45           1HD      PHE  45  -7.420   6.803  -3.235
  326    HE1  PHE  45           2HE      PHE  45  -7.495   5.574  -8.037
  327    HE2  PHE  45           1HE      PHE  45  -6.221   4.777  -4.016
  328    HZ   PHE  45           HZ       PHE  45  -6.262   4.159  -6.413
  329    HA   PRO  46           HA       PRO  46 -11.052   9.427  -0.792
  330    HB2  PRO  46           2HB      PRO  46 -12.719  11.766  -1.432
  331    HB3  PRO  46           1HB      PRO  46 -11.267  11.668  -0.421
  332    HG2  PRO  46           2HG      PRO  46 -11.315  12.873  -2.843
  333    HG3  PRO  46           1HG      PRO  46  -9.871  12.118  -2.154
  334    HD2  PRO  46           2HD      PRO  46 -11.672  11.113  -4.314
  335    HD3  PRO  46           1HD      PRO  46  -9.924  10.866  -4.092
  336    H    ILE  47           H        ILE  47 -12.453   7.957  -0.102
  337    HA   ILE  47           HA       ILE  47 -15.275   8.383  -0.131
  338    HB   ILE  47           HB       ILE  47 -15.699   6.087  -1.277
  339   HG12  ILE  47          2HG1      ILE  47 -13.359   6.623  -2.995
  340   HG13  ILE  47          1HG1      ILE  47 -12.975   6.017  -1.384
  341   HG21  ILE  47          1HG2      ILE  47 -16.299   7.144  -3.226
  342   HG22  ILE  47          2HG2      ILE  47 -14.776   8.014  -3.357
  343   HG23  ILE  47          3HG2      ILE  47 -16.022   8.577  -2.243
  344   HD11  ILE  47          3HD1      ILE  47 -13.291   4.163  -2.994
  345   HD12  ILE  47          1HD1      ILE  47 -14.927   4.733  -3.320
  346   HD13  ILE  47          2HD1      ILE  47 -14.509   4.123  -1.718
  347    H    ASN  48           H        ASN  48 -16.340   6.174   0.683
  348    HA   ASN  48           HA       ASN  48 -15.158   5.615   3.196
  349    HB2  ASN  48           2HB      ASN  48 -17.611   5.421   2.604
  350    HB3  ASN  48           1HB      ASN  48 -17.215   3.921   1.769
  351   HD21  ASN  48          1HD2      ASN  48 -15.431   2.668   3.460
  352   HD22  ASN  48          2HD2      ASN  48 -16.137   2.401   4.980
  353    H    ILE  49           H        ILE  49 -13.090   4.823   3.012
  354    HA   ILE  49           HA       ILE  49 -12.123   2.943   1.214
  355    HB   ILE  49           HB       ILE  49 -11.308   3.491   4.073
  356   HG12  ILE  49          2HG1      ILE  49  -9.878   4.269   1.532
  357   HG13  ILE  49          1HG1      ILE  49 -11.177   5.271   2.182
  358   HG21  ILE  49          1HG2      ILE  49  -9.088   2.489   2.900
  359   HG22  ILE  49          2HG2      ILE  49 -10.317   1.556   2.044
  360   HG23  ILE  49          3HG2      ILE  49 -10.224   1.487   3.803
  361   HD11  ILE  49          3HD1      ILE  49  -9.017   6.061   3.024
  362   HD12  ILE  49          1HD1      ILE  49  -8.651   4.453   3.648
  363   HD13  ILE  49          2HD1      ILE  49  -9.967   5.393   4.351
  364    H    VAL  50           H        VAL  50 -12.967   2.235   4.605
  365    HA   VAL  50           HA       VAL  50 -12.791  -0.450   4.692
  366    HB   VAL  50           HB       VAL  50 -15.281   0.891   5.733
  367   HG11  VAL  50          1HG1      VAL  50 -14.660  -1.655   5.937
  368   HG12  VAL  50          2HG1      VAL  50 -15.249  -0.790   7.358
  369   HG13  VAL  50          3HG1      VAL  50 -13.523  -1.088   7.160
  370   HG21  VAL  50          3HG2      VAL  50 -13.832   2.429   6.614
  371   HG22  VAL  50          1HG2      VAL  50 -12.427   1.388   6.378
  372   HG23  VAL  50          2HG2      VAL  50 -13.489   1.136   7.763
  373    H    ALA  51           H        ALA  51 -15.563   1.305   3.336
  374    HA   ALA  51           HA       ALA  51 -17.186  -0.853   2.694
  375    HB1  ALA  51           1HB      ALA  51 -18.395   0.618   1.320
  376    HB2  ALA  51           2HB      ALA  51 -16.966   1.579   0.942
  377    HB3  ALA  51           3HB      ALA  51 -17.681   1.657   2.552
  378    H    VAL  52           H        VAL  52 -14.362   0.368   0.948
  379    HA   VAL  52           HA       VAL  52 -14.969  -1.309  -1.353
  380    HB   VAL  52           HB       VAL  52 -13.348  -0.183  -2.491
  381   HG11  VAL  52          1HG1      VAL  52 -14.876   1.480  -1.396
  382   HG12  VAL  52          2HG1      VAL  52 -13.294   2.131  -1.820
  383   HG13  VAL  52          3HG1      VAL  52 -13.652   1.707  -0.148
  384   HG21  VAL  52          3HG2      VAL  52 -11.392  -0.970  -1.344
  385   HG22  VAL  52          1HG2      VAL  52 -11.807  -0.072   0.113
  386   HG23  VAL  52          2HG2      VAL  52 -11.298   0.786  -1.333
  387    H    LYS  53           H        LYS  53 -12.777  -1.305   1.401
  388    HA   LYS  53           HA       LYS  53 -11.170  -3.494   0.648
  389    HB2  LYS  53           2HB      LYS  53 -12.001  -2.837   3.476
  390    HB3  LYS  53           1HB      LYS  53 -10.495  -3.579   2.932
  391    HG2  LYS  53           2HG      LYS  53 -10.379  -1.298   1.508
  392    HG3  LYS  53           1HG      LYS  53 -11.322  -0.721   2.882
  393    HD2  LYS  53           2HD      LYS  53  -8.639  -2.124   3.027
  394    HD3  LYS  53           1HD      LYS  53  -8.932  -0.409   3.318
  395    HE2  LYS  53           2HE      LYS  53  -9.150  -1.021   5.493
  396    HE3  LYS  53           1HE      LYS  53 -10.752  -1.579   5.009
  397    HZ1  LYS  53           3HZ      LYS  53  -9.424  -3.274   6.190
  398    HZ2  LYS  53           1HZ      LYS  53  -8.300  -3.250   4.920
  399    HZ3  LYS  53           2HZ      LYS  53  -9.894  -3.763   4.631
  400    H    ASN  54           H        ASN  54 -14.323  -3.263   2.164
  401    HA   ASN  54           HA       ASN  54 -14.490  -6.127   2.644
  402    HB2  ASN  54           2HB      ASN  54 -16.259  -3.759   3.168
  403    HB3  ASN  54           1HB      ASN  54 -16.934  -5.388   3.221
  404   HD21  ASN  54          1HD2      ASN  54 -15.779  -3.120   5.273
  405   HD22  ASN  54          2HD2      ASN  54 -15.061  -4.110   6.450
  406    H    ASP  55           H        ASP  55 -16.324  -3.736   0.736
  407    HA   ASP  55           HA       ASP  55 -17.978  -5.449  -0.666
  408    HB2  ASP  55           2HB      ASP  55 -18.209  -3.039  -0.850
  409    HB3  ASP  55           1HB      ASP  55 -16.641  -2.919  -1.647
  410    H    HIS  56           H        HIS  56 -15.005  -4.078  -2.087
  411    HA   HIS  56           HA       HIS  56 -14.855  -5.948  -4.188
  412    HB2  HIS  56           2HB      HIS  56 -12.517  -4.476  -2.962
  413    HB3  HIS  56           1HB      HIS  56 -12.675  -5.061  -4.619
  414    HD2  HIS  56           2HD      HIS  56 -12.860  -2.628  -5.977
  415    HE1  HIS  56           1HE      HIS  56 -16.034  -0.992  -3.725
  416    HE2  HIS  56           2HE      HIS  56 -14.553  -0.652  -5.759
  417    H    ASP  57           H        ASP  57 -12.579  -5.706  -1.450
  418    HA   ASP  57           HA       ASP  57 -11.378  -7.298  -0.326
  419    HB2  ASP  57           2HB      ASP  57 -13.002  -8.406   0.764
  420    HB3  ASP  57           1HB      ASP  57 -14.072  -8.381  -0.637
  421    H    PHE  58           H        PHE  58  -9.998  -9.094  -0.608
  422    HA   PHE  58           HA       PHE  58 -10.014 -10.472  -3.181
  423    HB2  PHE  58           2HB      PHE  58  -7.573  -8.924  -2.298
  424    HB3  PHE  58           1HB      PHE  58  -7.800  -9.799  -3.813
  425    HD1  PHE  58           2HD      PHE  58  -9.582  -9.010  -5.436
  426    HD2  PHE  58           1HD      PHE  58  -8.336  -6.690  -2.042
  427    HE1  PHE  58           2HE      PHE  58 -10.572  -6.979  -6.460
  428    HE2  PHE  58           1HE      PHE  58  -9.327  -4.662  -3.066
  429    HZ   PHE  58           HZ       PHE  58 -10.445  -4.806  -5.277
  430    H    LEU  59           H        LEU  59 -10.370 -11.210  -0.376
  431    HA   LEU  59           HA       LEU  59  -9.776 -12.915   1.034
  432    HB2  LEU  59           2HB      LEU  59  -9.538 -14.018  -1.307
  433    HB3  LEU  59           1HB      LEU  59  -7.809 -13.857  -1.030
  434    HG   LEU  59           HG       LEU  59  -9.741 -15.241   0.857
  435   HD11  LEU  59          1HD1      LEU  59  -8.456 -17.295   0.076
  436   HD12  LEU  59          2HD1      LEU  59  -7.823 -16.294  -1.231
  437   HD13  LEU  59          3HD1      LEU  59  -9.557 -16.592  -1.109
  438   HD21  LEU  59          3HD2      LEU  59  -7.947 -14.573   2.206
  439   HD22  LEU  59          1HD2      LEU  59  -6.781 -14.695   0.888
  440   HD23  LEU  59          2HD2      LEU  59  -7.404 -16.154   1.652
  441    H    GLU  60           H        GLU  60  -6.718 -12.357  -0.714
  442    HA   GLU  60           HA       GLU  60  -4.920 -12.644   1.290
  443    HB2  GLU  60           2HB      GLU  60  -4.962 -10.609  -0.935
  444    HB3  GLU  60           1HB      GLU  60  -3.582 -10.796   0.146
  445    HG2  GLU  60           2HG      GLU  60  -4.609 -13.326  -0.963
  446    HG3  GLU  60           1HG      GLU  60  -3.932 -12.226  -2.163
  447    H    LYS  61           H        LYS  61  -5.320 -11.998   3.336
  448    HA   LYS  61           HA       LYS  61  -6.462  -9.440   3.976
  449    HB2  LYS  61           2HB      LYS  61  -6.598 -11.613   5.355
  450    HB3  LYS  61           1HB      LYS  61  -4.972 -11.210   5.907
  451    HG2  LYS  61           2HG      LYS  61  -6.220 -10.131   7.532
  452    HG3  LYS  61           1HG      LYS  61  -6.081  -8.835   6.344
  453    HD2  LYS  61           2HD      LYS  61  -8.277  -9.974   5.362
  454    HD3  LYS  61           1HD      LYS  61  -8.444 -10.536   7.025
  455    HE2  LYS  61           2HE      LYS  61  -9.585  -8.458   6.989
  456    HE3  LYS  61           1HE      LYS  61  -8.017  -8.086   7.707
  457    HZ1  LYS  61           3HZ      LYS  61  -9.122  -6.885   5.515
  458    HZ2  LYS  61           1HZ      LYS  61  -7.962  -7.931   4.857
  459    HZ3  LYS  61           2HZ      LYS  61  -7.501  -6.772   6.012
  460    H    ASP  62           H        ASP  62  -3.264 -10.710   3.531
  461    HA   ASP  62           HA       ASP  62  -1.838  -8.691   4.956
  462    HB2  ASP  62           2HB      ASP  62  -0.014  -9.482   3.187
  463    HB3  ASP  62           1HB      ASP  62  -0.462 -10.487   4.564
  464    H    LEU  63           H        LEU  63  -3.369  -8.860   1.874
  465    HA   LEU  63           HA       LEU  63  -1.941  -6.540   0.826
  466    HB2  LEU  63           2HB      LEU  63  -3.917  -8.510  -0.259
  467    HB3  LEU  63           1HB      LEU  63  -3.726  -6.958  -1.069
  468    HG   LEU  63           HG       LEU  63  -1.408  -8.798  -0.407
  469   HD11  LEU  63          1HD1      LEU  63  -3.323  -8.763  -2.677
  470   HD12  LEU  63          2HD1      LEU  63  -2.383 -10.101  -2.017
  471   HD13  LEU  63          3HD1      LEU  63  -1.618  -8.936  -3.096
  472   HD21  LEU  63          3HD2      LEU  63  -1.632  -6.097  -1.447
  473   HD22  LEU  63          1HD2      LEU  63  -0.874  -7.153  -2.637
  474   HD23  LEU  63          2HD2      LEU  63  -0.183  -7.005  -1.022
  475    H    VAL  64           H        VAL  64  -4.810  -7.303   2.553
  476    HA   VAL  64           HA       VAL  64  -6.398  -5.072   1.742
  477    HB   VAL  64           HB       VAL  64  -6.487  -6.885   4.156
  478   HG11  VAL  64          1HG1      VAL  64  -7.966  -4.377   3.525
  479   HG12  VAL  64          2HG1      VAL  64  -7.584  -5.095   5.092
  480   HG13  VAL  64          3HG1      VAL  64  -8.921  -5.729   4.134
  481   HG21  VAL  64          3HG2      VAL  64  -7.144  -7.462   1.623
  482   HG22  VAL  64          1HG2      VAL  64  -8.636  -6.648   2.094
  483   HG23  VAL  64          2HG2      VAL  64  -8.088  -8.070   2.984
  484    H    GLU  65           H        GLU  65  -4.071  -5.658   4.330
  485    HA   GLU  65           HA       GLU  65  -4.493  -3.345   5.846
  486    HB2  GLU  65           2HB      GLU  65  -2.366  -5.340   5.559
  487    HB3  GLU  65           1HB      GLU  65  -1.775  -3.742   6.023
  488    HG2  GLU  65           2HG      GLU  65  -4.095  -5.111   7.401
  489    HG3  GLU  65           1HG      GLU  65  -2.429  -5.240   7.961
  490    HA   PRO  66           HA       PRO  66  -1.121  -1.052   3.251
  491    HB2  PRO  66           2HB      PRO  66  -0.616  -2.182   0.758
  492    HB3  PRO  66           1HB      PRO  66   0.422  -2.358   2.184
  493    HG2  PRO  66           2HG      PRO  66  -1.577  -4.235   1.055
  494    HG3  PRO  66           1HG      PRO  66  -0.024  -4.570   1.838
  495    HD2  PRO  66           2HD      PRO  66  -2.383  -4.929   3.114
  496    HD3  PRO  66           1HD      PRO  66  -0.913  -4.424   3.974
  497    H    LEU  67           H        LEU  67  -3.663  -2.827   1.562
  498    HA   LEU  67           HA       LEU  67  -4.256  -1.005  -0.469
  499    HB2  LEU  67           2HB      LEU  67  -5.256  -3.222  -0.422
  500    HB3  LEU  67           1HB      LEU  67  -6.084  -2.852   1.087
  501    HG   LEU  67           HG       LEU  67  -7.447  -1.163  -0.018
  502   HD11  LEU  67          1HD1      LEU  67  -6.100  -0.160  -1.648
  503   HD12  LEU  67          2HD1      LEU  67  -7.197  -1.134  -2.628
  504   HD13  LEU  67          3HD1      LEU  67  -5.564  -1.712  -2.296
  505   HD21  LEU  67          3HD2      LEU  67  -7.514  -3.927  -0.567
  506   HD22  LEU  67          1HD2      LEU  67  -7.832  -3.127  -2.105
  507   HD23  LEU  67          2HD2      LEU  67  -8.850  -2.783  -0.706
  508    H    CYS  68           H        CYS  68  -5.391  -1.159   2.882
  509    HA   CYS  68           HA       CYS  68  -7.135   1.092   2.671
  510    HB2  CYS  68           2HB      CYS  68  -7.606   0.724   4.890
  511    HB3  CYS  68           1HB      CYS  68  -6.938  -0.856   4.480
  512    HG   CYS  68           HG       CYS  68  -5.150   1.366   5.768
  513    H    ARG  69           H        ARG  69  -3.737   0.728   3.023
  514    HA   ARG  69           HA       ARG  69  -3.282   3.297   4.267
  515    HB2  ARG  69           2HB      ARG  69  -1.745   1.332   4.538
  516    HB3  ARG  69           1HB      ARG  69  -1.294   1.518   2.843
  517    HG2  ARG  69           2HG      ARG  69  -0.443   3.742   3.241
  518    HG3  ARG  69           1HG      ARG  69  -1.061   3.733   4.892
  519    HD2  ARG  69           2HD      ARG  69   1.445   3.215   4.572
  520    HD3  ARG  69           1HD      ARG  69   0.519   2.125   5.599
  521    HE   ARG  69           HE       ARG  69   0.943   0.448   4.062
  522   HH11  ARG  69          1HH2      ARG  69   1.313   3.563   2.601
  523   HH12  ARG  69          2HH2      ARG  69   1.881   2.939   1.088
  524   HH21  ARG  69          1HH1      ARG  69   1.686  -0.378   2.082
  525   HH22  ARG  69          2HH1      ARG  69   2.092   0.707   0.794
  526    H    ARG  70           H        ARG  70  -2.579   1.922   1.037
  527    HA   ARG  70           HA       ARG  70  -1.696   4.260  -0.185
  528    HB2  ARG  70           2HB      ARG  70  -3.356   2.083  -1.482
  529    HB3  ARG  70           1HB      ARG  70  -2.295   3.216  -2.307
  530    HG2  ARG  70           2HG      ARG  70  -1.459   1.080  -0.339
  531    HG3  ARG  70           1HG      ARG  70  -1.147   1.087  -2.067
  532    HD2  ARG  70           2HD      ARG  70   0.007   3.404  -1.528
  533    HD3  ARG  70           1HD      ARG  70   0.109   2.736   0.096
  534    HE   ARG  70           HE       ARG  70   1.092   0.716  -1.389
  535   HH11  ARG  70          1HH2      ARG  70   1.691   4.124  -1.365
  536   HH12  ARG  70          2HH2      ARG  70   3.333   3.977  -1.894
  537   HH21  ARG  70          1HH1      ARG  70   3.242   0.517  -2.084
  538   HH22  ARG  70          2HH1      ARG  70   4.212   1.934  -2.302
  539    H    LEU  71           H        LEU  71  -4.998   2.909  -0.421
  540    HA   LEU  71           HA       LEU  71  -6.250   4.991  -1.693
  541    HB2  LEU  71           2HB      LEU  71  -7.360   3.362   0.604
  542    HB3  LEU  71           1HB      LEU  71  -8.323   4.293  -0.539
  543    HG   LEU  71           HG       LEU  71  -6.388   2.161  -1.468
  544   HD11  LEU  71          1HD1      LEU  71  -8.314   0.607  -1.518
  545   HD12  LEU  71          2HD1      LEU  71  -9.307   1.828  -0.724
  546   HD13  LEU  71          3HD1      LEU  71  -7.939   1.118   0.128
  547   HD21  LEU  71          3HD2      LEU  71  -8.063   4.034  -2.795
  548   HD22  LEU  71          1HD2      LEU  71  -8.837   2.462  -2.978
  549   HD23  LEU  71          2HD2      LEU  71  -7.176   2.695  -3.518
  550    H    ASN  72           H        ASN  72  -5.659   4.680   1.799
  551    HA   ASN  72           HA       ASN  72  -6.911   7.017   2.656
  552    HB2  ASN  72           2HB      ASN  72  -4.851   5.198   3.693
  553    HB3  ASN  72           1HB      ASN  72  -4.740   6.839   4.315
  554   HD21  ASN  72          1HD2      ASN  72  -7.289   7.687   4.668
  555   HD22  ASN  72          2HD2      ASN  72  -8.171   6.632   5.663
  556    H    THR  73           H        THR  73  -3.831   6.531   1.072
  557    HA   THR  73           HA       THR  73  -2.853   9.190   1.595
  558    HB   THR  73           HB       THR  73  -1.910   7.277  -0.546
  559    HG1  THR  73           1HG      THR  73  -1.972   6.897   2.048
  560   HG21  THR  73          3HG2      THR  73  -0.223   8.743  -0.848
  561   HG22  THR  73          1HG2      THR  73   0.027   8.918   0.890
  562   HG23  THR  73          2HG2      THR  73  -1.195   9.890   0.073
  563    H    LEU  74           H        LEU  74  -3.640   7.580  -1.500
  564    HA   LEU  74           HA       LEU  74  -3.758   9.849  -3.069
  565    HB2  LEU  74           2HB      LEU  74  -5.101   7.176  -3.220
  566    HB3  LEU  74           1HB      LEU  74  -5.590   8.435  -4.352
  567    HG   LEU  74           HG       LEU  74  -2.713   7.567  -3.915
  568   HD11  LEU  74          1HD1      LEU  74  -2.897   6.292  -5.953
  569   HD12  LEU  74          2HD1      LEU  74  -4.537   6.877  -6.234
  570   HD13  LEU  74          3HD1      LEU  74  -4.207   5.782  -4.892
  571   HD21  LEU  74          3HD2      LEU  74  -2.286   9.465  -5.065
  572   HD22  LEU  74          1HD2      LEU  74  -3.996   9.733  -5.394
  573   HD23  LEU  74          2HD2      LEU  74  -3.047   8.695  -6.455
  574    H    ASN  75           H        ASN  75  -6.255   8.476  -0.979
  575    HA   ASN  75           HA       ASN  75  -8.420  10.062  -1.762
  576    HB2  ASN  75           2HB      ASN  75  -7.672   8.879   0.914
  577    HB3  ASN  75           1HB      ASN  75  -9.196   9.715   0.633
  578   HD21  ASN  75          1HD2      ASN  75  -9.616   7.168   1.323
  579   HD22  ASN  75          2HD2      ASN  75  -9.948   6.181  -0.015
  580    H    LYS  76           H        LYS  76  -5.570  10.834   0.042
  581    HA   LYS  76           HA       LYS  76  -6.670  13.377   0.989
  582    HB2  LYS  76           2HB      LYS  76  -4.670  11.593   1.915
  583    HB3  LYS  76           1HB      LYS  76  -3.860  13.101   1.489
  584    HG2  LYS  76           2HG      LYS  76  -5.428  14.369   2.874
  585    HG3  LYS  76           1HG      LYS  76  -6.317  12.894   3.255
  586    HD2  LYS  76           2HD      LYS  76  -3.410  12.783   3.793
  587    HD3  LYS  76           1HD      LYS  76  -4.321  13.894   4.815
  588    HE2  LYS  76           2HE      LYS  76  -4.188  11.578   5.761
  589    HE3  LYS  76           1HE      LYS  76  -5.845  12.115   5.474
  590    HZ1  LYS  76           3HZ      LYS  76  -5.432   9.852   4.671
  591    HZ2  LYS  76           1HZ      LYS  76  -4.253  10.445   3.606
  592    HZ3  LYS  76           2HZ      LYS  76  -5.877  10.905   3.413
  593    H    CYS  77           H        CYS  77  -3.987  12.191  -1.030
  594    HA   CYS  77           HA       CYS  77  -3.255  14.823  -1.919
  595    HB2  CYS  77           2HB      CYS  77  -1.494  13.254  -1.906
  596    HB3  CYS  77           1HB      CYS  77  -2.463  12.032  -2.729
  597    HG   CYS  77           HG       CYS  77  -2.037  13.143  -4.945
  598    H    ALA  78           H        ALA  78  -5.703  12.639  -2.770
  599    HA   ALA  78           HA       ALA  78  -5.949  12.943  -5.531
  600    HB1  ALA  78           1HB      ALA  78  -8.521  12.786  -4.877
  601    HB2  ALA  78           2HB      ALA  78  -7.846  12.370  -3.302
  602    HB3  ALA  78           3HB      ALA  78  -7.446  11.397  -4.717
  603    H    SER  79           H        SER  79  -6.840  15.106  -2.910
  604    HA   SER  79           HA       SER  79  -8.278  16.936  -4.622
  605    HB2  SER  79           2HB      SER  79  -7.247  17.778  -1.958
  606    HB3  SER  79           1HB      SER  79  -8.816  18.076  -2.701
  607    HG   SER  79           HG       SER  79  -9.527  16.261  -1.894
  608    H    MET  80           H        MET  80  -5.491  16.269  -5.323
  609    HA   MET  80           HA       MET  80  -3.511  17.292  -5.920
  610    HB2  MET  80           2HB      MET  80  -5.712  19.201  -6.528
  611    HB3  MET  80           1HB      MET  80  -4.059  19.809  -6.637
  612    HG2  MET  80           2HG      MET  80  -4.874  18.865  -8.799
  613    HG3  MET  80           1HG      MET  80  -3.459  18.015  -8.178
  614    HE1  MET  80           3HE      MET  80  -5.243  17.066 -10.365
  615    HE2  MET  80           1HE      MET  80  -6.845  17.505  -9.761
  616    HE3  MET  80           2HE      MET  80  -6.429  15.812 -10.015
  617    H    LYS  81           H        LYS  81  -4.811  20.347  -4.829
  618    HA   LYS  81           HA       LYS  81  -4.238  21.748  -3.093
  619    HB2  LYS  81           2HB      LYS  81  -4.297  19.279  -1.908
  620    HB3  LYS  81           1HB      LYS  81  -2.642  19.793  -1.584
  621    HG2  LYS  81           2HG      LYS  81  -3.498  21.937  -0.680
  622    HG3  LYS  81           1HG      LYS  81  -5.150  21.380  -0.960
  623    HD2  LYS  81           2HD      LYS  81  -4.738  19.451   0.545
  624    HD3  LYS  81           1HD      LYS  81  -3.113  20.061   0.860
  625    HE2  LYS  81           2HE      LYS  81  -4.793  20.705   2.619
  626    HE3  LYS  81           1HE      LYS  81  -3.998  22.082   1.858
  627    HZ1  LYS  81           3HZ      LYS  81  -6.566  22.042   2.113
  628    HZ2  LYS  81           1HZ      LYS  81  -6.512  21.064   0.727
  629    HZ3  LYS  81           2HZ      LYS  81  -5.868  22.636   0.682
  Start of MODEL    3
    1    H1   MET   1           1HT      MET   1 -23.410  27.547  29.980
    2    H2   MET   1           2HT      MET   1 -24.010  28.146  31.452
    3    H3   MET   1           3HT      MET   1 -25.085  27.641  30.238
    4    HA   MET   1           HA       MET   1 -23.757  26.107  32.258
    5    HB2  MET   1           2HB      MET   1 -26.274  26.310  30.983
    6    HB3  MET   1           1HB      MET   1 -25.669  24.694  30.621
    7    HG2  MET   1           2HG      MET   1 -26.883  24.583  32.713
    8    HG3  MET   1           1HG      MET   1 -25.164  24.408  33.068
    9    HE1  MET   1           2HE      MET   1 -26.060  26.320  36.187
   10    HE2  MET   1           3HE      MET   1 -24.892  25.215  35.467
   11    HE3  MET   1           1HE      MET   1 -26.623  24.851  35.395
   12    H    HIS   2           H        HIS   2 -23.801  23.576  31.465
   13    HA   HIS   2           HA       HIS   2 -22.495  21.979  30.447
   14    HB2  HIS   2           2HB      HIS   2 -23.738  23.575  28.344
   15    HB3  HIS   2           1HB      HIS   2 -22.232  22.821  27.819
   16    HD2  HIS   2           2HD      HIS   2 -22.672  20.242  26.959
   17    HE1  HIS   2           1HE      HIS   2 -26.098  19.395  29.276
   18    HE2  HIS   2           2HE      HIS   2 -24.505  18.471  27.529
   19    H    HIS   3           H        HIS   3 -20.536  21.818  28.738
   20    HA   HIS   3           HA       HIS   3 -18.459  23.527  29.879
   21    HB2  HIS   3           2HB      HIS   3 -18.241  21.152  28.013
   22    HB3  HIS   3           1HB      HIS   3 -16.898  21.965  28.816
   23    HD2  HIS   3           2HD      HIS   3 -20.048  19.793  29.879
   24    HE1  HIS   3           1HE      HIS   3 -17.217  19.730  33.011
   25    HE2  HIS   3           2HE      HIS   3 -19.442  18.797  32.215
   26    H    HIS   4           H        HIS   4 -16.673  24.192  28.296
   27    HA   HIS   4           HA       HIS   4 -17.402  24.735  25.579
   28    HB2  HIS   4           2HB      HIS   4 -18.357  26.568  27.500
   29    HB3  HIS   4           1HB      HIS   4 -16.980  27.346  26.719
   30    HD2  HIS   4           2HD      HIS   4 -17.540  28.331  24.186
   31    HE1  HIS   4           1HE      HIS   4 -21.212  26.336  23.593
   32    HE2  HIS   4           2HE      HIS   4 -19.605  28.040  22.614
   33    H    HIS   5           H        HIS   5 -15.523  24.533  24.563
   34    HA   HIS   5           HA       HIS   5 -13.204  26.047  25.415
   35    HB2  HIS   5           2HB      HIS   5 -13.385  23.080  25.749
   36    HB3  HIS   5           1HB      HIS   5 -11.846  23.786  25.256
   37    HD2  HIS   5           2HD      HIS   5 -10.950  25.908  27.155
   38    HE1  HIS   5           1HE      HIS   5 -13.096  24.197  30.361
   39    HE2  HIS   5           2HE      HIS   5 -11.290  25.872  29.744
   40    H    HIS   6           H        HIS   6 -11.307  25.534  23.888
   41    HA   HIS   6           HA       HIS   6 -12.406  25.325  21.163
   42    HB2  HIS   6           2HB      HIS   6  -9.650  26.308  21.872
   43    HB3  HIS   6           1HB      HIS   6 -10.606  26.652  20.429
   44    HD2  HIS   6           2HD      HIS   6 -12.526  28.715  20.736
   45    HE1  HIS   6           1HE      HIS   6 -11.526  29.685  24.721
   46    HE2  HIS   6           2HE      HIS   6 -12.883  30.402  22.696
   47    H    HIS   7           H        HIS   7 -10.692  24.458  19.549
   48    HA   HIS   7           HA       HIS   7  -9.132  22.240  20.659
   49    HB2  HIS   7           2HB      HIS   7 -10.717  21.477  18.297
   50    HB3  HIS   7           1HB      HIS   7 -10.348  20.556  19.756
   51    HD2  HIS   7           2HD      HIS   7 -12.684  20.128  21.144
   52    HE1  HIS   7           1HE      HIS   7 -14.635  23.753  20.210
   53    HE2  HIS   7           2HE      HIS   7 -14.838  21.567  21.482
   54    H    SER   8           H        SER   8  -7.943  21.095  18.784
   55    HA   SER   8           HA       SER   8  -7.422  22.719  16.446
   56    HB2  SER   8           2HB      SER   8  -5.965  23.968  17.789
   57    HB3  SER   8           1HB      SER   8  -5.480  22.564  18.736
   58    HG   SER   8           HG       SER   8  -3.832  22.832  17.357
   59    H    SER   9           H        SER   9  -6.338  21.588  14.836
   60    HA   SER   9           HA       SER   9  -5.006  19.102  15.295
   61    HB2  SER   9           2HB      SER   9  -7.877  19.035  14.952
   62    HB3  SER   9           1HB      SER   9  -7.073  18.192  13.629
   63    HG   SER   9           HG       SER   9  -7.135  17.638  16.358
   64    H    GLY  10           H        GLY  10  -4.357  18.065  13.248
   65    HA2  GLY  10           2HA      GLY  10  -4.611  18.495  10.706
   66    HA3  GLY  10           1HA      GLY  10  -4.021  20.097  11.141
   67    H    LEU  11           H        LEU  11  -2.981  17.513   9.672
   68    HA   LEU  11           HA       LEU  11  -0.282  17.598  10.888
   69    HB2  LEU  11           2HB      LEU  11  -1.921  15.293   9.922
   70    HB3  LEU  11           1HB      LEU  11  -0.170  15.229   9.717
   71    HG   LEU  11           HG       LEU  11  -1.273  16.057  12.377
   72   HD11  LEU  11          1HD1      LEU  11  -1.154  13.229  11.296
   73   HD12  LEU  11          2HD1      LEU  11  -2.562  14.065  11.953
   74   HD13  LEU  11          3HD1      LEU  11  -1.231  13.608  13.018
   75   HD21  LEU  11          3HD2      LEU  11   1.028  14.198  11.875
   76   HD22  LEU  11          1HD2      LEU  11   0.821  15.397  13.150
   77   HD23  LEU  11          2HD2      LEU  11   1.228  15.913  11.513
   78    H    VAL  12           H        VAL  12   1.109  18.583   9.587
   79    HA   VAL  12           HA       VAL  12   0.913  18.119   6.679
   80    HB   VAL  12           HB       VAL  12   1.689  20.556   6.450
   81   HG11  VAL  12          1HG1      VAL  12  -0.864  21.212   7.179
   82   HG12  VAL  12          2HG1      VAL  12  -0.992  19.459   7.030
   83   HG13  VAL  12          3HG1      VAL  12  -0.443  20.423   5.659
   84   HG21  VAL  12          3HG2      VAL  12   1.289  22.040   8.261
   85   HG22  VAL  12          1HG2      VAL  12   2.119  20.667   8.993
   86   HG23  VAL  12          2HG2      VAL  12   0.369  20.828   9.156
   87    HA   PRO  13           HA       PRO  13   5.224  17.568   8.350
   88    HB2  PRO  13           2HB      PRO  13   5.538  14.938   7.745
   89    HB3  PRO  13           1HB      PRO  13   4.786  15.488   9.254
   90    HG2  PRO  13           2HG      PRO  13   3.525  14.411   6.794
   91    HG3  PRO  13           1HG      PRO  13   3.055  14.209   8.489
   92    HD2  PRO  13           2HD      PRO  13   1.852  15.980   6.704
   93    HD3  PRO  13           1HD      PRO  13   1.757  16.097   8.475
   94    H    ARG  14           H        ARG  14   6.410  18.628   6.836
   95    HA   ARG  14           HA       ARG  14   7.433  19.141   4.839
   96    HB2  ARG  14           2HB      ARG  14   7.513  16.117   4.692
   97    HB3  ARG  14           1HB      ARG  14   8.485  17.209   3.705
   98    HG2  ARG  14           2HG      ARG  14  10.017  17.239   5.351
   99    HG3  ARG  14           1HG      ARG  14   8.838  18.067   6.371
  100    HD2  ARG  14           2HD      ARG  14   7.929  15.883   7.082
  101    HD3  ARG  14           1HD      ARG  14   9.126  15.064   6.084
  102    HE   ARG  14           HE       ARG  14  10.258  16.904   8.016
  103   HH11  ARG  14          1HH2      ARG  14   9.129  13.700   7.356
  104   HH12  ARG  14          2HH2      ARG  14  10.076  12.961   8.603
  105   HH21  ARG  14          1HH1      ARG  14  11.502  15.943   9.655
  106   HH22  ARG  14          2HH1      ARG  14  11.420  14.230   9.904
  107    H    GLY  15           H        GLY  15   6.102  16.146   3.561
  108    HA2  GLY  15           2HA      GLY  15   3.792  16.457   2.435
  109    HA3  GLY  15           1HA      GLY  15   4.634  17.726   1.552
  110    H    SER  16           H        SER  16   5.648  14.456   2.544
  111    HA   SER  16           HA       SER  16   6.690  13.975  -0.138
  112    HB2  SER  16           2HB      SER  16   6.847  11.707   1.651
  113    HB3  SER  16           1HB      SER  16   8.149  12.639   0.914
  114    HG   SER  16           HG       SER  16   7.007  12.825   3.418
  115    H    GLN  17           H        GLN  17   3.785  13.535   1.477
  116    HA   GLN  17           HA       GLN  17   2.797  11.068   0.898
  117    HB2  GLN  17           2HB      GLN  17   1.574  13.085   1.893
  118    HB3  GLN  17           1HB      GLN  17   1.224  13.553   0.228
  119    HG2  GLN  17           2HG      GLN  17  -0.648  12.264   0.752
  120    HG3  GLN  17           1HG      GLN  17   0.403  11.067  -0.003
  121   HE21  GLN  17          1HE2      GLN  17  -1.716  10.736   2.160
  122   HE22  GLN  17          2HE2      GLN  17  -0.903   9.969   3.439
  123    H    GLU  18           H        GLU  18   3.681  13.547  -1.380
  124    HA   GLU  18           HA       GLU  18   2.272  12.780  -3.650
  125    HB2  GLU  18           2HB      GLU  18   4.893  14.113  -3.158
  126    HB3  GLU  18           1HB      GLU  18   4.560  13.533  -4.791
  127    HG2  GLU  18           2HG      GLU  18   2.550  15.186  -3.263
  128    HG3  GLU  18           1HG      GLU  18   3.820  15.938  -4.228
  129    H    ILE  19           H        ILE  19   5.692  11.908  -3.112
  130    HA   ILE  19           HA       ILE  19   5.953   9.944  -4.996
  131    HB   ILE  19           HB       ILE  19   7.167  10.296  -2.275
  132   HG12  ILE  19          2HG1      ILE  19   9.190  10.625  -3.621
  133   HG13  ILE  19          1HG1      ILE  19   8.312  10.176  -5.083
  134   HG21  ILE  19          1HG2      ILE  19   7.373   7.883  -4.074
  135   HG22  ILE  19          2HG2      ILE  19   7.156   7.937  -2.325
  136   HG23  ILE  19          3HG2      ILE  19   8.716   8.352  -3.032
  137   HD11  ILE  19          3HD1      ILE  19   6.904  12.113  -4.937
  138   HD12  ILE  19          1HD1      ILE  19   8.559  12.675  -4.705
  139   HD13  ILE  19          2HD1      ILE  19   7.489  12.490  -3.316
  140    H    GLU  20           H        GLU  20   4.521   9.652  -1.780
  141    HA   GLU  20           HA       GLU  20   4.104   6.845  -1.855
  142    HB2  GLU  20           2HB      GLU  20   3.457   9.053  -0.104
  143    HB3  GLU  20           1HB      GLU  20   2.070   7.978  -0.284
  144    HG2  GLU  20           2HG      GLU  20   4.868   7.013   0.354
  145    HG3  GLU  20           1HG      GLU  20   3.639   7.328   1.578
  146    H    ALA  21           H        ALA  21   2.123   9.626  -2.796
  147    HA   ALA  21           HA       ALA  21  -0.264   8.301  -3.367
  148    HB1  ALA  21           1HB      ALA  21   0.063  10.330  -5.307
  149    HB2  ALA  21           2HB      ALA  21   0.870  10.894  -3.844
  150    HB3  ALA  21           3HB      ALA  21  -0.827  10.425  -3.788
  151    H    LYS  22           H        LYS  22   2.340   9.195  -5.647
  152    HA   LYS  22           HA       LYS  22   1.339   7.970  -7.919
  153    HB2  LYS  22           2HB      LYS  22   3.485   9.426  -7.551
  154    HB3  LYS  22           1HB      LYS  22   4.278   7.868  -7.330
  155    HG2  LYS  22           2HG      LYS  22   4.496   8.211  -9.639
  156    HG3  LYS  22           1HG      LYS  22   3.059   7.196  -9.537
  157    HD2  LYS  22           2HD      LYS  22   1.995   9.733  -9.290
  158    HD3  LYS  22           1HD      LYS  22   3.319   9.987 -10.425
  159    HE2  LYS  22           2HE      LYS  22   1.401   9.398 -11.739
  160    HE3  LYS  22           1HE      LYS  22   2.449   7.981 -11.717
  161    HZ1  LYS  22           3HZ      LYS  22   1.074   6.871 -10.270
  162    HZ2  LYS  22           1HZ      LYS  22  -0.054   7.720 -11.208
  163    HZ3  LYS  22           2HZ      LYS  22   0.365   8.291  -9.664
  164    H    GLU  23           H        GLU  23   3.401   6.518  -5.394
  165    HA   GLU  23           HA       GLU  23   3.578   3.975  -6.656
  166    HB2  GLU  23           2HB      GLU  23   4.323   5.164  -4.071
  167    HB3  GLU  23           1HB      GLU  23   3.894   3.455  -3.981
  168    HG2  GLU  23           2HG      GLU  23   5.786   4.512  -6.082
  169    HG3  GLU  23           1HG      GLU  23   6.351   4.002  -4.493
  170    H    ALA  24           H        ALA  24   1.629   5.195  -3.957
  171    HA   ALA  24           HA       ALA  24   0.127   3.084  -3.237
  172    HB1  ALA  24           1HB      ALA  24  -1.818   4.984  -3.354
  173    HB2  ALA  24           2HB      ALA  24  -0.370   5.981  -3.454
  174    HB3  ALA  24           3HB      ALA  24  -0.600   4.898  -2.082
  175    H    CYS  25           H        CYS  25  -0.492   5.113  -6.097
  176    HA   CYS  25           HA       CYS  25  -2.721   3.510  -6.958
  177    HB2  CYS  25           2HB      CYS  25  -3.099   5.440  -8.035
  178    HB3  CYS  25           1HB      CYS  25  -1.453   5.996  -7.733
  179    HG   CYS  25           HG       CYS  25  -2.446   4.836 -10.345
  180    H    ASP  26           H        ASP  26   0.712   3.748  -7.754
  181    HA   ASP  26           HA       ASP  26   0.550   1.915  -9.971
  182    HB2  ASP  26           2HB      ASP  26   2.366   3.768  -9.308
  183    HB3  ASP  26           1HB      ASP  26   3.132   2.364  -8.567
  184    H    TRP  27           H        TRP  27   0.485   1.564  -6.623
  185    HA   TRP  27           HA       TRP  27   1.763  -1.065  -6.603
  186    HB2  TRP  27           2HB      TRP  27   2.180   0.441  -4.713
  187    HB3  TRP  27           1HB      TRP  27   0.448   0.524  -4.386
  188    HD1  TRP  27           HD       TRP  27   3.456  -1.787  -4.104
  189    HE1  TRP  27           1HE      TRP  27   2.831  -3.800  -2.620
  190    HE3  TRP  27           3HE      TRP  27  -1.558  -0.976  -3.583
  191    HZ2  TRP  27           2HZ      TRP  27   0.510  -4.919  -1.376
  192    HZ3  TRP  27           3HZ      TRP  27  -2.951  -2.528  -2.246
  193    HH2  TRP  27           HH       TRP  27  -1.924  -4.497  -1.143
  194    H    LEU  28           H        LEU  28  -1.428   0.413  -6.332
  195    HA   LEU  28           HA       LEU  28  -2.903  -1.832  -5.542
  196    HB2  LEU  28           2HB      LEU  28  -3.577   0.624  -7.140
  197    HB3  LEU  28           1HB      LEU  28  -4.775  -0.647  -6.899
  198    HG   LEU  28           HG       LEU  28  -3.273   0.324  -4.507
  199   HD11  LEU  28          1HD1      LEU  28  -5.318   2.003  -4.352
  200   HD12  LEU  28          2HD1      LEU  28  -5.237   1.915  -6.112
  201   HD13  LEU  28          3HD1      LEU  28  -3.838   2.465  -5.189
  202   HD21  LEU  28          3HD2      LEU  28  -6.207  -0.320  -4.888
  203   HD22  LEU  28          1HD2      LEU  28  -5.301  -0.274  -3.377
  204   HD23  LEU  28          2HD2      LEU  28  -5.001  -1.559  -4.546
  205    H    ARG  29           H        ARG  29  -1.612  -0.894  -8.658
  206    HA   ARG  29           HA       ARG  29  -3.099  -2.822 -10.181
  207    HB2  ARG  29           2HB      ARG  29  -0.485  -1.840 -11.193
  208    HB3  ARG  29           1HB      ARG  29  -2.045  -1.943 -12.009
  209    HG2  ARG  29           2HG      ARG  29  -2.806  -0.050 -10.449
  210    HG3  ARG  29           1HG      ARG  29  -1.098   0.160 -10.060
  211    HD2  ARG  29           2HD      ARG  29  -1.818   1.666 -11.897
  212    HD3  ARG  29           1HD      ARG  29  -0.571   0.536 -12.416
  213    HE   ARG  29           HE       ARG  29  -2.145  -0.511 -13.793
  214   HH11  ARG  29          1HH2      ARG  29  -3.612   1.771 -11.646
  215   HH12  ARG  29          2HH2      ARG  29  -5.154   1.731 -12.434
  216   HH21  ARG  29          1HH1      ARG  29  -4.164  -0.573 -14.830
  217   HH22  ARG  29          2HH1      ARG  29  -5.466   0.403 -14.237
  218    H    ALA  30           H        ALA  30   0.038  -2.722  -8.587
  219    HA   ALA  30           HA       ALA  30   0.994  -5.193  -9.674
  220    HB1  ALA  30           1HB      ALA  30   2.489  -3.431  -8.758
  221    HB2  ALA  30           2HB      ALA  30   2.759  -5.004  -8.008
  222    HB3  ALA  30           3HB      ALA  30   1.851  -3.761  -7.147
  223    H    ALA  31           H        ALA  31  -0.987  -4.278  -6.955
  224    HA   ALA  31           HA       ALA  31  -0.744  -6.746  -5.520
  225    HB1  ALA  31           1HB      ALA  31  -2.030  -4.218  -5.150
  226    HB2  ALA  31           2HB      ALA  31  -1.754  -5.494  -3.964
  227    HB3  ALA  31           3HB      ALA  31  -3.229  -5.495  -4.934
  228    H    GLY  32           H        GLY  32  -2.478  -5.736  -8.294
  229    HA2  GLY  32           2HA      GLY  32  -3.445  -7.448  -9.719
  230    HA3  GLY  32           1HA      GLY  32  -4.009  -8.267  -8.267
  231    H    PHE  33           H        PHE  33  -4.368  -4.986  -7.845
  232    HA   PHE  33           HA       PHE  33  -7.164  -5.035  -8.816
  233    HB2  PHE  33           2HB      PHE  33  -6.355  -3.412  -6.431
  234    HB3  PHE  33           1HB      PHE  33  -7.930  -4.090  -6.844
  235    HD1  PHE  33           2HD      PHE  33  -7.424  -6.875  -7.400
  236    HD2  PHE  33           1HD      PHE  33  -5.636  -4.355  -4.416
  237    HE1  PHE  33           2HE      PHE  33  -6.921  -8.869  -6.019
  238    HE2  PHE  33           1HE      PHE  33  -5.136  -6.349  -3.032
  239    HZ   PHE  33           HZ       PHE  33  -5.780  -8.608  -3.833
  240    HA   PRO  34           HA       PRO  34  -5.066  -1.346 -10.610
  241    HB2  PRO  34           2HB      PRO  34  -5.674  -1.789 -13.209
  242    HB3  PRO  34           1HB      PRO  34  -4.304  -2.582 -12.408
  243    HG2  PRO  34           2HG      PRO  34  -6.959  -3.672 -13.135
  244    HG3  PRO  34           1HG      PRO  34  -5.382  -4.473 -13.077
  245    HD2  PRO  34           2HD      PRO  34  -7.380  -4.635 -11.102
  246    HD3  PRO  34           1HD      PRO  34  -5.683  -5.119 -10.910
  247    H    GLN  35           H        GLN  35  -8.275  -2.518 -10.515
  248    HA   GLN  35           HA       GLN  35  -9.551  -0.442 -11.999
  249    HB2  GLN  35           2HB      GLN  35 -11.617  -1.286 -11.115
  250    HB3  GLN  35           1HB      GLN  35 -10.588  -2.667 -11.482
  251    HG2  GLN  35           2HG      GLN  35 -11.055  -1.443  -8.743
  252    HG3  GLN  35           1HG      GLN  35 -11.633  -3.006  -9.310
  253   HE21  GLN  35          1HE2      GLN  35  -8.872  -1.312  -7.999
  254   HE22  GLN  35          2HE2      GLN  35  -7.835  -2.654  -7.942
  255    H    TYR  36           H        TYR  36  -8.054  -0.486  -8.946
  256    HA   TYR  36           HA       TYR  36  -9.712   1.582  -7.771
  257    HB2  TYR  36           2HB      TYR  36  -7.271   0.070  -6.940
  258    HB3  TYR  36           1HB      TYR  36  -7.608   1.615  -6.158
  259    HD1  TYR  36           1HD      TYR  36 -10.223   1.923  -5.517
  260    HD2  TYR  36           2HD      TYR  36  -8.172  -1.830  -5.936
  261    HE1  TYR  36           1HE      TYR  36 -11.933   0.830  -4.098
  262    HE2  TYR  36           2HE      TYR  36  -9.884  -2.922  -4.520
  263    HH   TYR  36           HH       TYR  36 -11.530  -2.112  -2.670
  264    H    ALA  37           H        ALA  37  -6.217   1.483  -8.444
  265    HA   ALA  37           HA       ALA  37  -5.557   4.107  -8.341
  266    HB1  ALA  37           1HB      ALA  37  -4.497   1.793  -9.660
  267    HB2  ALA  37           2HB      ALA  37  -3.647   3.239  -9.115
  268    HB3  ALA  37           3HB      ALA  37  -4.351   3.186 -10.731
  269    H    GLN  38           H        GLN  38  -7.401   2.525 -10.860
  270    HA   GLN  38           HA       GLN  38  -7.388   4.452 -12.857
  271    HB2  GLN  38           2HB      GLN  38  -9.239   2.309 -11.982
  272    HB3  GLN  38           1HB      GLN  38  -9.929   3.555 -13.025
  273    HG2  GLN  38           2HG      GLN  38  -7.327   2.163 -13.679
  274    HG3  GLN  38           1HG      GLN  38  -8.888   1.538 -14.211
  275   HE21  GLN  38          1HE2      GLN  38  -6.366   3.341 -15.333
  276   HE22  GLN  38          2HE2      GLN  38  -7.193   4.353 -16.417
  277    H    LEU  39           H        LEU  39  -9.435   4.234  -9.963
  278    HA   LEU  39           HA       LEU  39 -11.168   6.348 -10.451
  279    HB2  LEU  39           2HB      LEU  39 -10.042   5.158  -7.936
  280    HB3  LEU  39           1HB      LEU  39 -11.065   6.587  -7.851
  281    HG   LEU  39           HG       LEU  39 -11.998   4.278  -9.512
  282   HD11  LEU  39          1HD1      LEU  39 -13.032   3.246  -7.524
  283   HD12  LEU  39          2HD1      LEU  39 -12.231   4.430  -6.491
  284   HD13  LEU  39          3HD1      LEU  39 -11.277   3.248  -7.384
  285   HD21  LEU  39          3HD2      LEU  39 -13.260   6.410  -9.439
  286   HD22  LEU  39          1HD2      LEU  39 -13.384   6.271  -7.687
  287   HD23  LEU  39          2HD2      LEU  39 -14.191   5.097  -8.724
  288    H    TYR  40           H        TYR  40  -7.824   6.398  -9.360
  289    HA   TYR  40           HA       TYR  40  -7.591   8.979  -8.382
  290    HB2  TYR  40           2HB      TYR  40  -5.762   7.260  -8.464
  291    HB3  TYR  40           1HB      TYR  40  -5.565   7.627 -10.177
  292    HD1  TYR  40           2HD      TYR  40  -5.839   9.431  -6.893
  293    HD2  TYR  40           1HD      TYR  40  -3.989   9.244 -10.765
  294    HE1  TYR  40           2HE      TYR  40  -4.427  11.385  -6.313
  295    HE2  TYR  40           1HE      TYR  40  -2.576  11.196 -10.184
  296    HH   TYR  40           HH       TYR  40  -1.705  12.228  -7.933
  297    H    GLU  41           H        GLU  41  -7.147   7.938 -11.763
  298    HA   GLU  41           HA       GLU  41  -6.649  10.306 -13.010
  299    HB2  GLU  41           2HB      GLU  41  -8.491   8.079 -13.905
  300    HB3  GLU  41           1HB      GLU  41  -7.974   9.401 -14.953
  301    HG2  GLU  41           2HG      GLU  41  -5.911   8.516 -15.234
  302    HG3  GLU  41           1HG      GLU  41  -5.751   8.141 -13.519
  303    H    ASP  42           H        ASP  42  -9.768   9.186 -11.777
  304    HA   ASP  42           HA       ASP  42 -11.134  11.570 -12.752
  305    HB2  ASP  42           2HB      ASP  42 -11.959   8.989 -12.263
  306    HB3  ASP  42           1HB      ASP  42 -12.562   9.852 -10.850
  307    H    SER  43           H        SER  43  -9.521  10.472  -9.923
  308    HA   SER  43           HA       SER  43  -8.943  11.674  -8.028
  309    HB2  SER  43           2HB      SER  43  -9.310  13.937  -7.919
  310    HB3  SER  43           1HB      SER  43  -9.596  13.700  -9.640
  311    HG   SER  43           HG       SER  43 -11.678  14.001  -9.340
  312    H    GLN  44           H        GLN  44 -11.582  10.060  -8.705
  313    HA   GLN  44           HA       GLN  44 -13.278  10.835  -6.475
  314    HB2  GLN  44           2HB      GLN  44 -13.447   8.501  -8.398
  315    HB3  GLN  44           1HB      GLN  44 -14.675   8.921  -7.203
  316    HG2  GLN  44           2HG      GLN  44 -13.741  11.008  -9.149
  317    HG3  GLN  44           1HG      GLN  44 -14.906   9.795  -9.675
  318   HE21  GLN  44          1HE2      GLN  44 -15.050  10.606  -6.305
  319   HE22  GLN  44          2HE2      GLN  44 -16.423  11.599  -6.390
  320    H    PHE  45           H        PHE  45 -10.466   9.842  -6.131
  321    HA   PHE  45           HA       PHE  45 -10.449   7.249  -5.053
  322    HB2  PHE  45           2HB      PHE  45  -8.609   9.387  -5.347
  323    HB3  PHE  45           1HB      PHE  45  -8.570   8.873  -3.660
  324    HD1  PHE  45           2HD      PHE  45  -8.723   7.398  -7.101
  325    HD2  PHE  45           1HD      PHE  45  -7.223   7.042  -3.093
  326    HE1  PHE  45           2HE      PHE  45  -7.437   5.382  -7.760
  327    HE2  PHE  45           1HE      PHE  45  -5.944   5.025  -3.753
  328    HZ   PHE  45           HZ       PHE  45  -6.052   4.193  -6.080
  329    HA   PRO  46           HA       PRO  46 -11.078   9.102  -0.732
  330    HB2  PRO  46           2HB      PRO  46 -12.393  11.548  -0.620
  331    HB3  PRO  46           1HB      PRO  46 -10.650  11.314  -0.417
  332    HG2  PRO  46           2HG      PRO  46 -12.157  12.335  -2.728
  333    HG3  PRO  46           1HG      PRO  46 -10.492  12.659  -2.226
  334    HD2  PRO  46           2HD      PRO  46 -11.223  11.006  -4.326
  335    HD3  PRO  46           1HD      PRO  46  -9.656  10.946  -3.496
  336    H    ILE  47           H        ILE  47 -12.612   7.751  -0.208
  337    HA   ILE  47           HA       ILE  47 -15.395   8.446  -0.286
  338    HB   ILE  47           HB       ILE  47 -15.987   6.283  -1.566
  339   HG12  ILE  47          2HG1      ILE  47 -13.463   6.589  -3.083
  340   HG13  ILE  47          1HG1      ILE  47 -13.302   5.857  -1.486
  341   HG21  ILE  47          1HG2      ILE  47 -16.249   7.450  -3.553
  342   HG22  ILE  47          2HG2      ILE  47 -14.664   8.211  -3.442
  343   HG23  ILE  47          3HG2      ILE  47 -15.996   8.795  -2.443
  344   HD11  ILE  47          3HD1      ILE  47 -13.724   4.180  -3.302
  345   HD12  ILE  47          1HD1      ILE  47 -15.290   4.945  -3.584
  346   HD13  ILE  47          2HD1      ILE  47 -14.956   4.165  -2.038
  347    H    ASN  48           H        ASN  48 -16.673   6.305   0.402
  348    HA   ASN  48           HA       ASN  48 -15.748   5.588   2.947
  349    HB2  ASN  48           2HB      ASN  48 -17.476   3.815   2.861
  350    HB3  ASN  48           1HB      ASN  48 -18.096   5.371   2.311
  351   HD21  ASN  48          1HD2      ASN  48 -19.446   3.078   1.458
  352   HD22  ASN  48          2HD2      ASN  48 -19.143   2.812  -0.190
  353    H    ILE  49           H        ILE  49 -13.529   5.009   2.610
  354    HA   ILE  49           HA       ILE  49 -12.527   3.036   0.953
  355    HB   ILE  49           HB       ILE  49 -11.695   3.946   3.700
  356   HG12  ILE  49          2HG1      ILE  49 -10.346   4.213   0.999
  357   HG13  ILE  49          1HG1      ILE  49 -11.462   5.418   1.639
  358   HG21  ILE  49          1HG2      ILE  49  -9.502   2.679   2.921
  359   HG22  ILE  49          2HG2      ILE  49 -10.648   1.704   2.002
  360   HG23  ILE  49          3HG2      ILE  49 -10.784   1.805   3.758
  361   HD11  ILE  49          3HD1      ILE  49  -8.705   5.247   2.145
  362   HD12  ILE  49          1HD1      ILE  49  -9.479   4.695   3.630
  363   HD13  ILE  49          2HD1      ILE  49  -9.866   6.285   2.973
  364    H    VAL  50           H        VAL  50 -13.295   2.552   4.395
  365    HA   VAL  50           HA       VAL  50 -13.005  -0.097   4.712
  366    HB   VAL  50           HB       VAL  50 -13.836   1.075   6.572
  367   HG11  VAL  50          1HG1      VAL  50 -16.237   1.800   4.863
  368   HG12  VAL  50          2HG1      VAL  50 -14.939   2.895   5.338
  369   HG13  VAL  50          3HG1      VAL  50 -16.026   2.234   6.559
  370   HG21  VAL  50          3HG2      VAL  50 -15.517  -0.349   7.345
  371   HG22  VAL  50          1HG2      VAL  50 -14.859  -1.286   6.004
  372   HG23  VAL  50          2HG2      VAL  50 -16.352  -0.371   5.792
  373    H    ALA  51           H        ALA  51 -15.767   1.409   3.086
  374    HA   ALA  51           HA       ALA  51 -17.255  -0.936   2.636
  375    HB1  ALA  51           1HB      ALA  51 -18.637   0.374   1.303
  376    HB2  ALA  51           2HB      ALA  51 -17.303   1.377   0.732
  377    HB3  ALA  51           3HB      ALA  51 -17.907   1.565   2.379
  378    H    VAL  52           H        VAL  52 -14.579   0.471   0.792
  379    HA   VAL  52           HA       VAL  52 -15.062  -1.309  -1.448
  380    HB   VAL  52           HB       VAL  52 -13.495  -0.121  -2.617
  381   HG11  VAL  52          1HG1      VAL  52 -15.180   1.446  -1.636
  382   HG12  VAL  52          2HG1      VAL  52 -13.643   2.221  -2.017
  383   HG13  VAL  52          3HG1      VAL  52 -14.031   1.811  -0.349
  384   HG21  VAL  52          3HG2      VAL  52 -11.502  -0.695  -1.384
  385   HG22  VAL  52          1HG2      VAL  52 -12.016   0.265   0.001
  386   HG23  VAL  52          2HG2      VAL  52 -11.553   1.060  -1.494
  387    H    LYS  53           H        LYS  53 -12.669  -1.062   1.174
  388    HA   LYS  53           HA       LYS  53 -10.984  -3.151   0.453
  389    HB2  LYS  53           2HB      LYS  53 -11.861  -2.725   3.301
  390    HB3  LYS  53           1HB      LYS  53 -10.271  -3.192   2.695
  391    HG2  LYS  53           2HG      LYS  53 -10.521  -0.831   1.432
  392    HG3  LYS  53           1HG      LYS  53 -11.522  -0.496   2.846
  393    HD2  LYS  53           2HD      LYS  53  -8.655  -1.484   2.882
  394    HD3  LYS  53           1HD      LYS  53  -9.199   0.142   3.296
  395    HE2  LYS  53           2HE      LYS  53  -9.283  -0.657   5.424
  396    HE3  LYS  53           1HE      LYS  53 -10.798  -1.397   4.909
  397    HZ1  LYS  53           3HZ      LYS  53  -9.786  -3.280   5.533
  398    HZ2  LYS  53           1HZ      LYS  53  -8.228  -2.616   5.432
  399    HZ3  LYS  53           2HZ      LYS  53  -9.004  -3.175   4.027
  400    H    ASN  54           H        ASN  54 -14.231  -3.200   1.616
  401    HA   ASN  54           HA       ASN  54 -14.198  -6.051   2.240
  402    HB2  ASN  54           2HB      ASN  54 -16.337  -3.922   2.328
  403    HB3  ASN  54           1HB      ASN  54 -16.686  -5.625   2.611
  404   HD21  ASN  54          1HD2      ASN  54 -14.064  -3.370   3.686
  405   HD22  ASN  54          2HD2      ASN  54 -14.185  -3.797   5.324
  406    H    ASP  55           H        ASP  55 -15.675  -3.841  -0.106
  407    HA   ASP  55           HA       ASP  55 -17.025  -5.824  -1.615
  408    HB2  ASP  55           2HB      ASP  55 -17.808  -4.030  -2.706
  409    HB3  ASP  55           1HB      ASP  55 -16.789  -3.030  -1.673
  410    H    HIS  56           H        HIS  56 -13.731  -4.772  -1.509
  411    HA   HIS  56           HA       HIS  56 -13.103  -6.304  -3.953
  412    HB2  HIS  56           2HB      HIS  56 -12.070  -4.289  -4.318
  413    HB3  HIS  56           1HB      HIS  56 -11.873  -3.957  -2.599
  414    HD2  HIS  56           2HD      HIS  56 -10.021  -5.958  -5.448
  415    HE1  HIS  56           1HE      HIS  56  -7.492  -5.789  -2.071
  416    HE2  HIS  56           2HE      HIS  56  -7.639  -6.476  -4.511
  417    H    ASP  57           H        ASP  57 -11.262  -5.539  -1.006
  418    HA   ASP  57           HA       ASP  57  -9.946  -6.847   0.344
  419    HB2  ASP  57           2HB      ASP  57 -12.197  -7.701   0.968
  420    HB3  ASP  57           1HB      ASP  57 -12.034  -8.950  -0.264
  421    H    PHE  58           H        PHE  58 -11.099  -9.499  -1.698
  422    HA   PHE  58           HA       PHE  58  -9.970 -11.039  -2.971
  423    HB2  PHE  58           2HB      PHE  58  -8.836  -8.416  -3.680
  424    HB3  PHE  58           1HB      PHE  58  -7.800  -9.789  -4.062
  425    HD1  PHE  58           2HD      PHE  58  -8.630 -11.621  -5.532
  426    HD2  PHE  58           1HD      PHE  58 -10.910  -8.046  -4.844
  427    HE1  PHE  58           2HE      PHE  58 -10.047 -12.145  -7.498
  428    HE2  PHE  58           1HE      PHE  58 -12.327  -8.571  -6.809
  429    HZ   PHE  58           HZ       PHE  58 -11.896 -10.622  -8.136
  430    H    LEU  59           H        LEU  59  -7.750 -12.062  -3.337
  431    HA   LEU  59           HA       LEU  59  -6.170 -13.359  -2.254
  432    HB2  LEU  59           2HB      LEU  59  -5.131 -11.056  -2.956
  433    HB3  LEU  59           1HB      LEU  59  -5.065 -10.773  -1.218
  434    HG   LEU  59           HG       LEU  59  -4.050 -13.280  -1.297
  435   HD11  LEU  59          1HD1      LEU  59  -4.263 -13.232  -3.825
  436   HD12  LEU  59          2HD1      LEU  59  -2.644 -13.591  -3.222
  437   HD13  LEU  59          3HD1      LEU  59  -3.022 -11.980  -3.831
  438   HD21  LEU  59          3HD2      LEU  59  -1.824 -12.229  -1.166
  439   HD22  LEU  59          1HD2      LEU  59  -3.005 -11.292  -0.250
  440   HD23  LEU  59          2HD2      LEU  59  -2.479 -10.739  -1.841
  441    H    GLU  60           H        GLU  60  -4.724 -12.084   0.139
  442    HA   GLU  60           HA       GLU  60  -6.681 -12.959   2.180
  443    HB2  GLU  60           2HB      GLU  60  -3.665 -12.967   2.401
  444    HB3  GLU  60           1HB      GLU  60  -4.820 -13.683   3.526
  445    HG2  GLU  60           2HG      GLU  60  -4.446 -14.518   0.637
  446    HG3  GLU  60           1HG      GLU  60  -3.827 -15.391   2.037
  447    H    LYS  61           H        LYS  61  -4.975 -12.058   4.334
  448    HA   LYS  61           HA       LYS  61  -5.866  -9.308   4.447
  449    HB2  LYS  61           2HB      LYS  61  -4.871 -11.332   6.349
  450    HB3  LYS  61           1HB      LYS  61  -4.416  -9.669   6.723
  451    HG2  LYS  61           2HG      LYS  61  -7.259 -10.365   5.994
  452    HG3  LYS  61           1HG      LYS  61  -6.677 -10.551   7.649
  453    HD2  LYS  61           2HD      LYS  61  -6.563  -8.303   8.003
  454    HD3  LYS  61           1HD      LYS  61  -5.997  -7.973   6.366
  455    HE2  LYS  61           2HE      LYS  61  -8.238  -8.200   5.477
  456    HE3  LYS  61           1HE      LYS  61  -8.848  -8.749   7.038
  457    HZ1  LYS  61           3HZ      LYS  61  -7.471  -6.169   6.926
  458    HZ2  LYS  61           1HZ      LYS  61  -8.758  -6.667   7.914
  459    HZ3  LYS  61           2HZ      LYS  61  -9.045  -6.255   6.292
  460    H    ASP  62           H        ASP  62  -3.204 -10.777   3.154
  461    HA   ASP  62           HA       ASP  62  -1.197  -8.876   4.021
  462    HB2  ASP  62           2HB      ASP  62  -0.475 -11.122   3.507
  463    HB3  ASP  62           1HB      ASP  62  -1.187 -11.029   1.897
  464    H    LEU  63           H        LEU  63  -3.749  -8.769   1.881
  465    HA   LEU  63           HA       LEU  63  -2.457  -6.610   0.322
  466    HB2  LEU  63           2HB      LEU  63  -3.587  -9.054  -0.647
  467    HB3  LEU  63           1HB      LEU  63  -4.589  -7.710  -1.193
  468    HG   LEU  63           HG       LEU  63  -2.551  -6.560  -2.030
  469   HD11  LEU  63          1HD1      LEU  63  -0.725  -8.711  -2.161
  470   HD12  LEU  63          2HD1      LEU  63  -1.280  -8.648  -0.488
  471   HD13  LEU  63          3HD1      LEU  63  -0.554  -7.222  -1.231
  472   HD21  LEU  63          3HD2      LEU  63  -2.003  -8.778  -3.607
  473   HD22  LEU  63          1HD2      LEU  63  -3.284  -7.602  -3.901
  474   HD23  LEU  63          2HD2      LEU  63  -3.637  -9.092  -3.025
  475    H    VAL  64           H        VAL  64  -4.755  -7.366   2.563
  476    HA   VAL  64           HA       VAL  64  -6.805  -5.529   1.594
  477    HB   VAL  64           HB       VAL  64  -6.623  -7.116   4.163
  478   HG11  VAL  64          1HG1      VAL  64  -9.261  -6.528   3.747
  479   HG12  VAL  64          2HG1      VAL  64  -8.486  -5.058   3.154
  480   HG13  VAL  64          3HG1      VAL  64  -8.199  -5.602   4.806
  481   HG21  VAL  64          3HG2      VAL  64  -7.702  -8.816   3.081
  482   HG22  VAL  64          1HG2      VAL  64  -7.002  -8.085   1.638
  483   HG23  VAL  64          2HG2      VAL  64  -8.661  -7.709   2.101
  484    H    GLU  65           H        GLU  65  -4.794  -5.819   4.552
  485    HA   GLU  65           HA       GLU  65  -5.430  -3.329   5.627
  486    HB2  GLU  65           2HB      GLU  65  -3.597  -5.436   6.189
  487    HB3  GLU  65           1HB      GLU  65  -2.708  -3.911   6.234
  488    HG2  GLU  65           2HG      GLU  65  -3.640  -4.364   8.434
  489    HG3  GLU  65           1HG      GLU  65  -4.461  -2.974   7.729
  490    HA   PRO  66           HA       PRO  66  -1.471  -1.649   3.293
  491    HB2  PRO  66           2HB      PRO  66  -1.628  -3.291   0.834
  492    HB3  PRO  66           1HB      PRO  66  -0.206  -2.803   1.773
  493    HG2  PRO  66           2HG      PRO  66  -1.158  -5.313   1.783
  494    HG3  PRO  66           1HG      PRO  66  -0.359  -4.583   3.184
  495    HD2  PRO  66           2HD      PRO  66  -3.256  -5.134   2.746
  496    HD3  PRO  66           1HD      PRO  66  -2.323  -5.106   4.254
  497    H    LEU  67           H        LEU  67  -4.285  -2.959   1.628
  498    HA   LEU  67           HA       LEU  67  -4.586  -1.061  -0.408
  499    HB2  LEU  67           2HB      LEU  67  -5.889  -3.271   0.075
  500    HB3  LEU  67           1HB      LEU  67  -6.952  -2.233   1.026
  501    HG   LEU  67           HG       LEU  67  -6.786  -0.734  -1.200
  502   HD11  LEU  67          1HD1      LEU  67  -6.820  -2.187  -3.179
  503   HD12  LEU  67          2HD1      LEU  67  -6.539  -3.600  -2.163
  504   HD13  LEU  67          3HD1      LEU  67  -5.291  -2.366  -2.319
  505   HD21  LEU  67          3HD2      LEU  67  -8.592  -3.143  -0.817
  506   HD22  LEU  67          1HD2      LEU  67  -8.927  -1.784  -1.890
  507   HD23  LEU  67          2HD2      LEU  67  -8.861  -1.535  -0.146
  508    H    CYS  68           H        CYS  68  -5.776  -1.061   2.940
  509    HA   CYS  68           HA       CYS  68  -7.210   1.386   2.730
  510    HB2  CYS  68           2HB      CYS  68  -7.749   1.035   4.907
  511    HB3  CYS  68           1HB      CYS  68  -7.083  -0.570   4.609
  512    HG   CYS  68           HG       CYS  68  -5.168   1.649   5.667
  513    H    ARG  69           H        ARG  69  -3.864   0.617   3.107
  514    HA   ARG  69           HA       ARG  69  -3.072   3.128   4.269
  515    HB2  ARG  69           2HB      ARG  69  -1.801   0.646   3.508
  516    HB3  ARG  69           1HB      ARG  69  -0.871   2.023   2.921
  517    HG2  ARG  69           2HG      ARG  69  -0.168   1.410   5.200
  518    HG3  ARG  69           1HG      ARG  69  -0.909   3.011   5.186
  519    HD2  ARG  69           2HD      ARG  69  -2.564   2.343   6.560
  520    HD3  ARG  69           1HD      ARG  69  -2.903   0.935   5.558
  521    HE   ARG  69           HE       ARG  69  -1.207   1.016   7.921
  522   HH11  ARG  69          1HH2      ARG  69  -2.148  -0.625   5.023
  523   HH12  ARG  69          2HH2      ARG  69  -1.606  -2.179   5.562
  524   HH21  ARG  69          1HH1      ARG  69  -0.499  -1.020   8.638
  525   HH22  ARG  69          2HH1      ARG  69  -0.672  -2.404   7.609
  526    H    ARG  70           H        ARG  70  -2.660   1.693   1.026
  527    HA   ARG  70           HA       ARG  70  -1.698   4.062  -0.192
  528    HB2  ARG  70           2HB      ARG  70  -3.212   1.848  -1.587
  529    HB3  ARG  70           1HB      ARG  70  -2.010   2.925  -2.282
  530    HG2  ARG  70           2HG      ARG  70  -1.585   0.665  -0.334
  531    HG3  ARG  70           1HG      ARG  70  -0.851   0.889  -1.915
  532    HD2  ARG  70           2HD      ARG  70   0.230   3.002  -0.940
  533    HD3  ARG  70           1HD      ARG  70  -0.275   2.400   0.637
  534    HE   ARG  70           HE       ARG  70   1.053   0.297  -0.586
  535   HH11  ARG  70          1HH2      ARG  70   1.714   3.564   0.343
  536   HH12  ARG  70          2HH2      ARG  70   3.402   3.288   0.621
  537   HH21  ARG  70          1HH1      ARG  70   3.263  -0.072  -0.227
  538   HH22  ARG  70          2HH1      ARG  70   4.279   1.229   0.299
  539    H    LEU  71           H        LEU  71  -4.946   2.680   0.102
  540    HA   LEU  71           HA       LEU  71  -6.267   4.578  -1.511
  541    HB2  LEU  71           2HB      LEU  71  -7.207   2.840   0.764
  542    HB3  LEU  71           1HB      LEU  71  -8.300   3.910  -0.109
  543    HG   LEU  71           HG       LEU  71  -6.559   1.808  -1.439
  544   HD11  LEU  71          1HD1      LEU  71  -8.198   0.710  -0.014
  545   HD12  LEU  71          2HD1      LEU  71  -8.700   0.549  -1.697
  546   HD13  LEU  71          3HD1      LEU  71  -9.482   1.734  -0.651
  547   HD21  LEU  71          3HD2      LEU  71  -8.337   3.946  -2.408
  548   HD22  LEU  71          1HD2      LEU  71  -8.738   2.358  -3.063
  549   HD23  LEU  71          2HD2      LEU  71  -7.120   3.019  -3.281
  550    H    ASN  72           H        ASN  72  -5.901   4.451   2.037
  551    HA   ASN  72           HA       ASN  72  -7.132   6.920   2.578
  552    HB2  ASN  72           2HB      ASN  72  -6.592   5.190   4.287
  553    HB3  ASN  72           1HB      ASN  72  -4.888   5.613   4.131
  554   HD21  ASN  72          1HD2      ASN  72  -6.888   8.352   3.691
  555   HD22  ASN  72          2HD2      ASN  72  -6.748   8.992   5.257
  556    H    THR  73           H        THR  73  -4.027   6.160   1.268
  557    HA   THR  73           HA       THR  73  -2.795   8.682   1.937
  558    HB   THR  73           HB       THR  73  -1.956   6.637  -0.130
  559    HG1  THR  73           1HG      THR  73  -1.741   6.791   2.631
  560   HG21  THR  73          3HG2      THR  73  -0.286   8.068  -0.584
  561   HG22  THR  73          1HG2      THR  73   0.190   8.052   1.114
  562   HG23  THR  73          2HG2      THR  73  -0.983   9.235   0.541
  563    H    LEU  74           H        LEU  74  -3.561   7.238  -1.247
  564    HA   LEU  74           HA       LEU  74  -3.337   9.545  -2.755
  565    HB2  LEU  74           2HB      LEU  74  -4.880   7.009  -3.062
  566    HB3  LEU  74           1HB      LEU  74  -5.269   8.344  -4.146
  567    HG   LEU  74           HG       LEU  74  -2.417   7.446  -3.702
  568   HD11  LEU  74          1HD1      LEU  74  -2.619   6.050  -5.699
  569   HD12  LEU  74          2HD1      LEU  74  -4.320   6.485  -5.862
  570   HD13  LEU  74          3HD1      LEU  74  -3.784   5.515  -4.491
  571   HD21  LEU  74          3HD2      LEU  74  -1.920   8.989  -5.282
  572   HD22  LEU  74          1HD2      LEU  74  -3.553   9.610  -5.057
  573   HD23  LEU  74          2HD2      LEU  74  -3.226   8.440  -6.332
  574    H    ASN  75           H        ASN  75  -6.095   8.374  -0.883
  575    HA   ASN  75           HA       ASN  75  -8.077  10.120  -1.741
  576    HB2  ASN  75           2HB      ASN  75  -7.548   9.014   1.024
  577    HB3  ASN  75           1HB      ASN  75  -9.026   9.858   0.568
  578   HD21  ASN  75          1HD2      ASN  75  -9.078   7.123   1.407
  579   HD22  ASN  75          2HD2      ASN  75  -9.515   6.170   0.075
  580    H    LYS  76           H        LYS  76  -5.316  10.705   0.311
  581    HA   LYS  76           HA       LYS  76  -6.274  13.351   1.085
  582    HB2  LYS  76           2HB      LYS  76  -5.058  11.968   2.728
  583    HB3  LYS  76           1HB      LYS  76  -3.646  11.964   1.671
  584    HG2  LYS  76           2HG      LYS  76  -3.242  14.255   1.989
  585    HG3  LYS  76           1HG      LYS  76  -4.891  14.566   2.533
  586    HD2  LYS  76           2HD      LYS  76  -3.164  14.571   4.381
  587    HD3  LYS  76           1HD      LYS  76  -4.496  13.440   4.626
  588    HE2  LYS  76           2HE      LYS  76  -3.173  11.571   4.067
  589    HE3  LYS  76           1HE      LYS  76  -1.957  12.561   3.258
  590    HZ1  LYS  76           3HZ      LYS  76  -0.909  12.224   5.222
  591    HZ2  LYS  76           1HZ      LYS  76  -2.346  12.044   6.105
  592    HZ3  LYS  76           2HZ      LYS  76  -1.809  13.596   5.666
  593    H    CYS  77           H        CYS  77  -4.295  11.862  -1.315
  594    HA   CYS  77           HA       CYS  77  -2.987  14.392  -2.015
  595    HB2  CYS  77           2HB      CYS  77  -2.588  11.990  -3.701
  596    HB3  CYS  77           1HB      CYS  77  -1.408  13.146  -3.083
  597    HG   CYS  77           HG       CYS  77  -1.985  10.511  -1.818
  598    H    ALA  78           H        ALA  78  -5.734  12.553  -2.817
  599    HA   ALA  78           HA       ALA  78  -5.946  13.344  -5.577
  600    HB1  ALA  78           1HB      ALA  78  -8.504  12.689  -4.635
  601    HB2  ALA  78           2HB      ALA  78  -7.400  11.658  -3.726
  602    HB3  ALA  78           3HB      ALA  78  -7.386  11.626  -5.490
  603    H    SER  79           H        SER  79  -6.014  15.152  -2.889
  604    HA   SER  79           HA       SER  79  -8.249  16.870  -3.752
  605    HB2  SER  79           2HB      SER  79  -6.917  17.726  -1.330
  606    HB3  SER  79           1HB      SER  79  -8.604  17.281  -1.578
  607    HG   SER  79           HG       SER  79  -7.832  15.056  -1.511
  608    H    MET  80           H        MET  80  -4.975  16.544  -4.177
  609    HA   MET  80           HA       MET  80  -3.294  17.941  -4.885
  610    HB2  MET  80           2HB      MET  80  -5.512  19.826  -5.690
  611    HB3  MET  80           1HB      MET  80  -3.919  19.644  -6.428
  612    HG2  MET  80           2HG      MET  80  -6.119  17.556  -6.409
  613    HG3  MET  80           1HG      MET  80  -5.616  18.518  -7.798
  614    HE1  MET  80           3HE      MET  80  -3.966  15.605  -9.302
  615    HE2  MET  80           1HE      MET  80  -4.289  17.321  -9.579
  616    HE3  MET  80           2HE      MET  80  -5.563  16.268  -8.967
  617    H    LYS  81           H        LYS  81  -2.390  18.475  -2.899
  618    HA   LYS  81           HA       LYS  81  -1.824  19.790  -1.094
  619    HB2  LYS  81           2HB      LYS  81  -1.479  21.247  -3.318
  620    HB3  LYS  81           1HB      LYS  81  -2.702  22.242  -2.528
  621    HG2  LYS  81           2HG      LYS  81  -1.310  22.262  -0.463
  622    HG3  LYS  81           1HG      LYS  81  -0.066  21.353  -1.322
  623    HD2  LYS  81           2HD      LYS  81   0.300  23.146  -2.871
  624    HD3  LYS  81           1HD      LYS  81  -1.130  24.009  -2.306
  625    HE2  LYS  81           2HE      LYS  81   0.915  25.005  -1.359
  626    HE3  LYS  81           1HE      LYS  81  -0.079  24.295  -0.088
  627    HZ1  LYS  81           3HZ      LYS  81   1.424  22.212  -0.736
  628    HZ2  LYS  81           1HZ      LYS  81   1.864  23.330   0.460
  629    HZ3  LYS  81           2HZ      LYS  81   2.514  23.462  -1.103
  Start of MODEL    4
    1    H1   MET   1           1HT      MET   1  14.122  -8.482 -12.549
    2    H2   MET   1           2HT      MET   1  12.872  -7.655 -11.746
    3    H3   MET   1           3HT      MET   1  13.981  -8.590 -10.863
    4    HA   MET   1           HA       MET   1  14.526  -6.064 -12.316
    5    HB2  MET   1           2HB      MET   1  13.433  -6.050  -9.999
    6    HB3  MET   1           1HB      MET   1  14.944  -6.731  -9.396
    7    HG2  MET   1           2HG      MET   1  16.145  -4.788 -10.482
    8    HG3  MET   1           1HG      MET   1  14.564  -4.076 -10.801
    9    HE1  MET   1           2HE      MET   1  12.749  -3.824  -8.989
   10    HE2  MET   1           3HE      MET   1  13.649  -2.340  -9.293
   11    HE3  MET   1           1HE      MET   1  13.220  -2.796  -7.638
   12    H    HIS   2           H        HIS   2  16.057  -8.252  -9.939
   13    HA   HIS   2           HA       HIS   2  18.347  -8.650 -11.683
   14    HB2  HIS   2           2HB      HIS   2  18.358  -6.609  -9.646
   15    HB3  HIS   2           1HB      HIS   2  19.534  -7.864  -9.252
   16    HD2  HIS   2           2HD      HIS   2  21.210  -8.494 -11.720
   17    HE1  HIS   2           1HE      HIS   2  20.966  -4.476 -12.992
   18    HE2  HIS   2           2HE      HIS   2  22.199  -6.672 -13.309
   19    H    HIS   3           H        HIS   3  17.821  -8.800  -8.159
   20    HA   HIS   3           HA       HIS   3  17.563 -11.671  -8.178
   21    HB2  HIS   3           2HB      HIS   3  20.167 -10.365  -7.544
   22    HB3  HIS   3           1HB      HIS   3  19.665 -11.729  -6.546
   23    HD2  HIS   3           2HD      HIS   3  21.597 -11.277  -9.710
   24    HE1  HIS   3           1HE      HIS   3  19.670 -15.003 -10.200
   25    HE2  HIS   3           2HE      HIS   3  21.493 -13.484 -11.104
   26    H    HIS   4           H        HIS   4  17.233 -12.539  -6.009
   27    HA   HIS   4           HA       HIS   4  15.819 -10.633  -4.337
   28    HB2  HIS   4           2HB      HIS   4  16.241 -13.596  -3.898
   29    HB3  HIS   4           1HB      HIS   4  15.038 -12.568  -3.119
   30    HD2  HIS   4           2HD      HIS   4  14.238 -15.124  -5.250
   31    HE1  HIS   4           1HE      HIS   4  12.841 -11.942  -7.648
   32    HE2  HIS   4           2HE      HIS   4  12.731 -14.452  -7.274
   33    H    HIS   5           H        HIS   5  17.213  -9.361  -3.208
   34    HA   HIS   5           HA       HIS   5  18.860 -10.700  -1.186
   35    HB2  HIS   5           2HB      HIS   5  20.177  -9.990  -3.355
   36    HB3  HIS   5           1HB      HIS   5  20.071  -8.381  -2.640
   37    HD2  HIS   5           2HD      HIS   5  22.508 -11.181  -2.510
   38    HE1  HIS   5           1HE      HIS   5  22.697  -9.506   1.360
   39    HE2  HIS   5           2HE      HIS   5  23.851 -11.071  -0.274
   40    H    HIS   6           H        HIS   6  16.431  -8.722  -1.730
   41    HA   HIS   6           HA       HIS   6  17.232  -6.627   0.176
   42    HB2  HIS   6           2HB      HIS   6  14.726  -6.817  -1.510
   43    HB3  HIS   6           1HB      HIS   6  15.258  -5.425  -0.565
   44    HD2  HIS   6           2HD      HIS   6  17.232  -3.845  -1.799
   45    HE1  HIS   6           1HE      HIS   6  17.661  -6.205  -5.272
   46    HE2  HIS   6           2HE      HIS   6  18.311  -4.011  -4.171
   47    H    HIS   7           H        HIS   7  16.398  -6.508   2.182
   48    HA   HIS   7           HA       HIS   7  14.796  -8.738   3.130
   49    HB2  HIS   7           2HB      HIS   7  16.689  -7.918   4.473
   50    HB3  HIS   7           1HB      HIS   7  15.910  -6.342   4.608
   51    HD2  HIS   7           2HD      HIS   7  16.182  -7.685   7.471
   52    HE1  HIS   7           1HE      HIS   7  12.252  -9.153   6.987
   53    HE2  HIS   7           2HE      HIS   7  14.094  -8.690   8.675
   54    H    SER   8           H        SER   8  14.136  -6.039   4.970
   55    HA   SER   8           HA       SER   8  11.830  -5.094   3.492
   56    HB2  SER   8           2HB      SER   8  11.340  -6.474   6.131
   57    HB3  SER   8           1HB      SER   8  10.143  -5.846   5.002
   58    HG   SER   8           HG       SER   8  10.728  -7.438   3.546
   59    H    SER   9           H        SER   9  13.126  -3.159   3.794
   60    HA   SER   9           HA       SER   9  12.586  -1.909   6.407
   61    HB2  SER   9           2HB      SER   9  15.225  -2.122   4.996
   62    HB3  SER   9           1HB      SER   9  14.879  -0.731   6.019
   63    HG   SER   9           HG       SER   9  14.121  -2.614   7.499
   64    H    GLY  10           H        GLY  10  10.983  -0.583   5.672
   65    HA2  GLY  10           2HA      GLY  10  11.685   1.295   3.488
   66    HA3  GLY  10           1HA      GLY  10  10.047   0.727   3.795
   67    H    LEU  11           H        LEU  11  11.136   3.475   3.753
   68    HA   LEU  11           HA       LEU  11  11.095   4.376   6.508
   69    HB2  LEU  11           2HB      LEU  11  11.040   6.672   5.279
   70    HB3  LEU  11           1HB      LEU  11  12.502   5.691   5.185
   71    HG   LEU  11           HG       LEU  11  10.435   5.169   3.114
   72   HD11  LEU  11          1HD1      LEU  11  11.556   7.132   1.798
   73   HD12  LEU  11          2HD1      LEU  11  11.927   7.767   3.401
   74   HD13  LEU  11          3HD1      LEU  11  10.251   7.499   2.925
   75   HD21  LEU  11          3HD2      LEU  11  12.791   4.128   3.396
   76   HD22  LEU  11          1HD2      LEU  11  13.394   5.669   2.785
   77   HD23  LEU  11          2HD2      LEU  11  12.332   4.679   1.785
   78    H    VAL  12           H        VAL  12   9.533   5.850   7.366
   79    HA   VAL  12           HA       VAL  12   6.914   5.842   6.005
   80    HB   VAL  12           HB       VAL  12   5.820   5.393   8.169
   81   HG11  VAL  12          1HG1      VAL  12   7.881   3.242   7.688
   82   HG12  VAL  12          2HG1      VAL  12   6.609   3.569   6.512
   83   HG13  VAL  12          3HG1      VAL  12   6.187   3.055   8.145
   84   HG21  VAL  12          3HG2      VAL  12   8.505   5.867   9.125
   85   HG22  VAL  12          1HG2      VAL  12   7.955   4.275   9.649
   86   HG23  VAL  12          2HG2      VAL  12   7.014   5.711  10.054
   87    HA   PRO  13           HA       PRO  13   8.027  10.023   7.656
   88    HB2  PRO  13           2HB      PRO  13   8.005  11.377   5.302
   89    HB3  PRO  13           1HB      PRO  13   9.429  10.495   5.885
   90    HG2  PRO  13           2HG      PRO  13   7.482   9.760   3.780
   91    HG3  PRO  13           1HG      PRO  13   9.213   9.407   3.896
   92    HD2  PRO  13           2HD      PRO  13   7.137   7.618   4.509
   93    HD3  PRO  13           1HD      PRO  13   8.838   7.431   4.985
   94    H    ARG  14           H        ARG  14   6.813  12.228   6.598
   95    HA   ARG  14           HA       ARG  14   3.967  11.578   6.257
   96    HB2  ARG  14           2HB      ARG  14   4.001  13.818   7.949
   97    HB3  ARG  14           1HB      ARG  14   3.478  12.185   8.360
   98    HG2  ARG  14           2HG      ARG  14   5.196  12.975   9.938
   99    HG3  ARG  14           1HG      ARG  14   5.795  11.606   9.003
  100    HD2  ARG  14           2HD      ARG  14   7.473  12.850   8.166
  101    HD3  ARG  14           1HD      ARG  14   6.337  14.071   7.599
  102    HE   ARG  14           HE       ARG  14   7.867  14.140  10.071
  103   HH11  ARG  14          1HH2      ARG  14   5.170  15.313   8.247
  104   HH12  ARG  14          2HH2      ARG  14   5.040  16.795   9.133
  105   HH21  ARG  14          1HH1      ARG  14   7.702  16.081  11.237
  106   HH22  ARG  14          2HH1      ARG  14   6.473  17.230  10.826
  107    H    GLY  15           H        GLY  15   6.397  12.844   4.796
  108    HA2  GLY  15           2HA      GLY  15   4.913  15.208   3.808
  109    HA3  GLY  15           1HA      GLY  15   6.653  15.257   4.066
  110    H    SER  16           H        SER  16   6.208  12.211   3.119
  111    HA   SER  16           HA       SER  16   6.941  12.812   0.355
  112    HB2  SER  16           2HB      SER  16   6.768  10.061   1.561
  113    HB3  SER  16           1HB      SER  16   7.789  10.625   0.239
  114    HG   SER  16           HG       SER  16   8.465  12.147   2.175
  115    H    GLN  17           H        GLN  17   4.112  12.819   1.694
  116    HA   GLN  17           HA       GLN  17   2.423  10.895   0.795
  117    HB2  GLN  17           2HB      GLN  17   1.586  12.822   1.991
  118    HB3  GLN  17           1HB      GLN  17   2.017  13.889   0.654
  119    HG2  GLN  17           2HG      GLN  17   0.212  13.272  -0.598
  120    HG3  GLN  17           1HG      GLN  17   0.285  11.596  -0.058
  121   HE21  GLN  17          1HE2      GLN  17  -1.552  11.064   1.123
  122   HE22  GLN  17          2HE2      GLN  17  -2.366  12.111   2.182
  123    H    GLU  18           H        GLU  18   4.219  13.152  -1.156
  124    HA   GLU  18           HA       GLU  18   2.727  12.872  -3.562
  125    HB2  GLU  18           2HB      GLU  18   5.400  13.934  -2.800
  126    HB3  GLU  18           1HB      GLU  18   5.153  13.512  -4.494
  127    HG2  GLU  18           2HG      GLU  18   3.169  15.204  -2.971
  128    HG3  GLU  18           1HG      GLU  18   4.552  15.915  -3.801
  129    H    ILE  19           H        ILE  19   5.944  11.542  -2.745
  130    HA   ILE  19           HA       ILE  19   6.126   9.758  -4.882
  131    HB   ILE  19           HB       ILE  19   7.267   9.504  -2.089
  132   HG12  ILE  19          2HG1      ILE  19   8.783  10.337  -4.544
  133   HG13  ILE  19          1HG1      ILE  19   7.773  11.526  -3.718
  134   HG21  ILE  19          1HG2      ILE  19   8.975   8.073  -3.326
  135   HG22  ILE  19          2HG2      ILE  19   7.841   8.042  -4.676
  136   HG23  ILE  19          3HG2      ILE  19   7.381   7.346  -3.122
  137   HD11  ILE  19          3HD1      ILE  19   9.776   9.829  -2.224
  138   HD12  ILE  19          1HD1      ILE  19   8.996  11.318  -1.691
  139   HD13  ILE  19          2HD1      ILE  19  10.224  11.369  -2.956
  140    H    GLU  20           H        GLU  20   4.502   9.468  -1.790
  141    HA   GLU  20           HA       GLU  20   4.015   6.681  -1.847
  142    HB2  GLU  20           2HB      GLU  20   2.524   8.956  -0.527
  143    HB3  GLU  20           1HB      GLU  20   2.140   7.255  -0.265
  144    HG2  GLU  20           2HG      GLU  20   4.981   8.134   0.060
  145    HG3  GLU  20           1HG      GLU  20   3.833   8.531   1.336
  146    H    ALA  21           H        ALA  21   2.177   9.462  -3.050
  147    HA   ALA  21           HA       ALA  21  -0.144   8.128  -3.838
  148    HB1  ALA  21           1HB      ALA  21   1.210  10.542  -5.057
  149    HB2  ALA  21           2HB      ALA  21  -0.062  10.543  -3.834
  150    HB3  ALA  21           3HB      ALA  21  -0.417  10.002  -5.475
  151    H    LYS  22           H        LYS  22   2.680   8.959  -5.871
  152    HA   LYS  22           HA       LYS  22   1.882   7.687  -8.194
  153    HB2  LYS  22           2HB      LYS  22   3.892   9.119  -8.020
  154    HB3  LYS  22           1HB      LYS  22   4.698   7.859  -7.088
  155    HG2  LYS  22           2HG      LYS  22   5.385   7.757  -9.449
  156    HG3  LYS  22           1HG      LYS  22   4.485   6.307  -9.010
  157    HD2  LYS  22           2HD      LYS  22   2.636   6.906 -10.269
  158    HD3  LYS  22           1HD      LYS  22   2.962   8.634 -10.116
  159    HE2  LYS  22           2HE      LYS  22   4.533   8.629 -11.829
  160    HE3  LYS  22           1HE      LYS  22   4.917   6.922 -11.608
  161    HZ1  LYS  22           3HZ      LYS  22   2.304   6.863 -12.273
  162    HZ2  LYS  22           1HZ      LYS  22   3.586   6.616 -13.354
  163    HZ3  LYS  22           2HZ      LYS  22   2.876   8.153 -13.220
  164    H    GLU  23           H        GLU  23   3.377   6.320  -5.308
  165    HA   GLU  23           HA       GLU  23   3.773   3.710  -6.416
  166    HB2  GLU  23           2HB      GLU  23   3.833   4.884  -3.653
  167    HB3  GLU  23           1HB      GLU  23   3.831   3.132  -3.860
  168    HG2  GLU  23           2HG      GLU  23   5.726   4.707  -5.540
  169    HG3  GLU  23           1HG      GLU  23   6.106   4.545  -3.827
  170    H    ALA  24           H        ALA  24   1.409   5.072  -4.141
  171    HA   ALA  24           HA       ALA  24  -0.215   3.002  -3.591
  172    HB1  ALA  24           1HB      ALA  24  -0.737   5.882  -4.124
  173    HB2  ALA  24           2HB      ALA  24  -0.998   4.948  -2.654
  174    HB3  ALA  24           3HB      ALA  24  -2.131   4.812  -3.999
  175    H    CYS  25           H        CYS  25  -0.448   4.937  -6.584
  176    HA   CYS  25           HA       CYS  25  -2.489   3.258  -7.696
  177    HB2  CYS  25           2HB      CYS  25  -2.703   5.229  -8.775
  178    HB3  CYS  25           1HB      CYS  25  -1.027   5.684  -8.462
  179    HG   CYS  25           HG       CYS  25  -0.940   5.244 -10.952
  180    H    ASP  26           H        ASP  26   1.025   3.478  -8.004
  181    HA   ASP  26           HA       ASP  26   1.183   1.596 -10.176
  182    HB2  ASP  26           2HB      ASP  26   2.915   3.398  -9.416
  183    HB3  ASP  26           1HB      ASP  26   3.457   2.151  -8.294
  184    H    TRP  27           H        TRP  27   0.765   1.365  -6.798
  185    HA   TRP  27           HA       TRP  27   1.770  -1.381  -6.654
  186    HB2  TRP  27           2HB      TRP  27   2.236   0.211  -4.798
  187    HB3  TRP  27           1HB      TRP  27   0.500   0.329  -4.502
  188    HD1  TRP  27           HD       TRP  27   3.408  -2.156  -4.331
  189    HE1  TRP  27           1HE      TRP  27   2.735  -4.104  -2.781
  190    HE3  TRP  27           3HE      TRP  27  -1.484  -0.960  -3.483
  191    HZ2  TRP  27           2HZ      TRP  27   0.427  -5.031  -1.369
  192    HZ3  TRP  27           3HZ      TRP  27  -2.895  -2.390  -2.033
  193    HH2  TRP  27           HH       TRP  27  -1.946  -4.421  -0.976
  194    H    LEU  28           H        LEU  28  -1.244   0.447  -6.231
  195    HA   LEU  28           HA       LEU  28  -3.050  -1.440  -5.509
  196    HB2  LEU  28           2HB      LEU  28  -3.192   0.849  -7.428
  197    HB3  LEU  28           1HB      LEU  28  -4.572  -0.234  -7.302
  198    HG   LEU  28           HG       LEU  28  -3.316   0.877  -4.800
  199   HD11  LEU  28          1HD1      LEU  28  -4.882   2.350  -6.855
  200   HD12  LEU  28          2HD1      LEU  28  -3.698   2.953  -5.695
  201   HD13  LEU  28          3HD1      LEU  28  -5.343   2.601  -5.176
  202   HD21  LEU  28          3HD2      LEU  28  -5.011  -0.794  -4.436
  203   HD22  LEU  28          1HD2      LEU  28  -6.092  -0.045  -5.609
  204   HD23  LEU  28          2HD2      LEU  28  -5.753   0.766  -4.088
  205    H    ARG  29           H        ARG  29  -1.503  -1.126  -8.651
  206    HA   ARG  29           HA       ARG  29  -3.134  -3.202  -9.858
  207    HB2  ARG  29           2HB      ARG  29  -1.544  -2.882 -11.789
  208    HB3  ARG  29           1HB      ARG  29  -2.423  -1.431 -11.308
  209    HG2  ARG  29           2HG      ARG  29  -0.511  -0.602 -10.078
  210    HG3  ARG  29           1HG      ARG  29   0.362  -2.114 -10.332
  211    HD2  ARG  29           2HD      ARG  29   0.881  -0.083 -11.889
  212    HD3  ARG  29           1HD      ARG  29   0.710  -1.683 -12.604
  213    HE   ARG  29           HE       ARG  29  -1.208  -0.935 -13.675
  214   HH11  ARG  29          1HH2      ARG  29  -0.337   1.173 -11.073
  215   HH12  ARG  29          2HH2      ARG  29  -1.514   2.379 -11.472
  216   HH21  ARG  29          1HH1      ARG  29  -2.752   0.643 -14.207
  217   HH22  ARG  29          2HH1      ARG  29  -2.882   2.079 -13.247
  218    H    ALA  30           H        ALA  30  -0.085  -2.939  -8.214
  219    HA   ALA  30           HA       ALA  30   0.915  -5.494  -9.145
  220    HB1  ALA  30           1HB      ALA  30   2.796  -5.079  -7.720
  221    HB2  ALA  30           2HB      ALA  30   1.912  -3.851  -6.812
  222    HB3  ALA  30           3HB      ALA  30   2.381  -3.543  -8.484
  223    H    ALA  31           H        ALA  31  -1.279  -4.430  -6.787
  224    HA   ALA  31           HA       ALA  31  -0.860  -6.770  -5.064
  225    HB1  ALA  31           1HB      ALA  31  -1.396  -4.255  -4.344
  226    HB2  ALA  31           2HB      ALA  31  -1.980  -5.635  -3.414
  227    HB3  ALA  31           3HB      ALA  31  -3.053  -4.820  -4.554
  228    H    GLY  32           H        GLY  32  -3.298  -5.280  -7.158
  229    HA2  GLY  32           2HA      GLY  32  -4.456  -7.163  -8.494
  230    HA3  GLY  32           1HA      GLY  32  -4.980  -7.686  -6.897
  231    H    PHE  33           H        PHE  33  -4.634  -4.327  -7.884
  232    HA   PHE  33           HA       PHE  33  -7.544  -4.040  -8.132
  233    HB2  PHE  33           2HB      PHE  33  -5.918  -2.279  -6.292
  234    HB3  PHE  33           1HB      PHE  33  -7.666  -2.268  -6.515
  235    HD1  PHE  33           1HD      PHE  33  -8.746  -4.755  -6.245
  236    HD2  PHE  33           2HD      PHE  33  -5.145  -3.350  -4.370
  237    HE1  PHE  33           1HE      PHE  33  -8.987  -6.483  -4.482
  238    HE2  PHE  33           2HE      PHE  33  -5.388  -5.075  -2.609
  239    HZ   PHE  33           HZ       PHE  33  -7.309  -6.643  -2.664
  240    HA   PRO  34           HA       PRO  34  -4.833  -1.410 -10.965
  241    HB2  PRO  34           2HB      PRO  34  -5.623  -2.560 -13.327
  242    HB3  PRO  34           1HB      PRO  34  -4.213  -3.098 -12.396
  243    HG2  PRO  34           2HG      PRO  34  -6.936  -4.275 -12.557
  244    HG3  PRO  34           1HG      PRO  34  -5.361  -5.077 -12.442
  245    HD2  PRO  34           2HD      PRO  34  -7.060  -4.777 -10.304
  246    HD3  PRO  34           1HD      PRO  34  -5.294  -4.909 -10.142
  247    H    GLN  35           H        GLN  35  -8.106  -2.241 -10.540
  248    HA   GLN  35           HA       GLN  35  -9.161  -0.332 -12.462
  249    HB2  GLN  35           2HB      GLN  35 -11.354  -1.016 -11.598
  250    HB3  GLN  35           1HB      GLN  35 -10.378  -2.428 -12.007
  251    HG2  GLN  35           2HG      GLN  35 -11.059  -3.078  -9.908
  252    HG3  GLN  35           1HG      GLN  35  -9.626  -2.160  -9.452
  253   HE21  GLN  35          1HE2      GLN  35 -10.130  -0.924  -7.640
  254   HE22  GLN  35          2HE2      GLN  35 -11.571  -0.053  -7.428
  255    H    TYR  36           H        TYR  36  -8.100  -0.361  -9.208
  256    HA   TYR  36           HA       TYR  36  -9.740   1.748  -8.192
  257    HB2  TYR  36           2HB      TYR  36  -7.831  -0.019  -7.165
  258    HB3  TYR  36           1HB      TYR  36  -7.114   1.577  -6.960
  259    HD1  TYR  36           2HD      TYR  36  -9.347   3.343  -6.461
  260    HD2  TYR  36           1HD      TYR  36  -8.743  -0.694  -5.122
  261    HE1  TYR  36           2HE      TYR  36 -10.829   3.765  -4.519
  262    HE2  TYR  36           1HE      TYR  36 -10.221  -0.273  -3.179
  263    HH   TYR  36           HH       TYR  36 -11.461   2.956  -2.483
  264    H    ALA  37           H        ALA  37  -6.238   1.776  -8.842
  265    HA   ALA  37           HA       ALA  37  -5.674   4.423  -8.795
  266    HB1  ALA  37           1HB      ALA  37  -4.701   2.554 -10.964
  267    HB2  ALA  37           2HB      ALA  37  -4.047   2.615  -9.328
  268    HB3  ALA  37           3HB      ALA  37  -3.895   4.015 -10.392
  269    H    GLN  38           H        GLN  38  -7.374   2.725 -11.359
  270    HA   GLN  38           HA       GLN  38  -7.358   4.597 -13.390
  271    HB2  GLN  38           2HB      GLN  38  -8.947   2.308 -12.646
  272    HB3  GLN  38           1HB      GLN  38  -9.978   3.570 -13.322
  273    HG2  GLN  38           2HG      GLN  38  -7.416   2.613 -14.629
  274    HG3  GLN  38           1HG      GLN  38  -9.016   1.996 -15.041
  275   HE21  GLN  38          1HE2      GLN  38  -9.585   5.147 -14.226
  276   HE22  GLN  38          2HE2      GLN  38  -9.427   5.871 -15.752
  277    H    LEU  39           H        LEU  39  -9.344   4.545 -10.465
  278    HA   LEU  39           HA       LEU  39 -11.072   6.664 -11.209
  279    HB2  LEU  39           2HB      LEU  39 -10.575   5.042  -8.855
  280    HB3  LEU  39           1HB      LEU  39 -10.863   6.725  -8.418
  281    HG   LEU  39           HG       LEU  39 -12.925   6.674  -9.873
  282   HD11  LEU  39          1HD1      LEU  39 -13.407   4.878 -11.149
  283   HD12  LEU  39          2HD1      LEU  39 -13.156   3.772  -9.799
  284   HD13  LEU  39          3HD1      LEU  39 -11.787   4.288 -10.783
  285   HD21  LEU  39          3HD2      LEU  39 -13.788   4.610  -8.158
  286   HD22  LEU  39          1HD2      LEU  39 -13.860   6.346  -7.852
  287   HD23  LEU  39          2HD2      LEU  39 -12.464   5.411  -7.309
  288    H    TYR  40           H        TYR  40  -7.915   6.592  -9.624
  289    HA   TYR  40           HA       TYR  40  -7.694   9.081  -8.526
  290    HB2  TYR  40           2HB      TYR  40  -5.861   7.417  -8.587
  291    HB3  TYR  40           1HB      TYR  40  -5.608   7.784 -10.294
  292    HD1  TYR  40           1HD      TYR  40  -5.974   9.610  -7.028
  293    HD2  TYR  40           2HD      TYR  40  -3.966   9.356 -10.817
  294    HE1  TYR  40           1HE      TYR  40  -4.541  11.534  -6.398
  295    HE2  TYR  40           2HE      TYR  40  -2.535  11.280 -10.188
  296    HH   TYR  40           HH       TYR  40  -2.057  12.314  -7.203
  297    H    GLU  41           H        GLU  41  -7.169   8.305 -11.966
  298    HA   GLU  41           HA       GLU  41  -6.585  10.799 -12.956
  299    HB2  GLU  41           2HB      GLU  41  -8.350   8.679 -14.205
  300    HB3  GLU  41           1HB      GLU  41  -7.653  10.048 -15.072
  301    HG2  GLU  41           2HG      GLU  41  -5.711   8.946 -15.318
  302    HG3  GLU  41           1HG      GLU  41  -5.580   8.747 -13.571
  303    H    ASP  42           H        ASP  42  -9.683   9.561 -11.864
  304    HA   ASP  42           HA       ASP  42 -11.094  11.939 -12.809
  305    HB2  ASP  42           2HB      ASP  42 -11.880   9.347 -12.579
  306    HB3  ASP  42           1HB      ASP  42 -12.489  10.008 -11.063
  307    H    SER  43           H        SER  43  -9.572  10.723  -9.972
  308    HA   SER  43           HA       SER  43  -9.097  11.838  -7.999
  309    HB2  SER  43           2HB      SER  43  -9.521  14.082  -7.786
  310    HB3  SER  43           1HB      SER  43  -9.731  13.928  -9.528
  311    HG   SER  43           HG       SER  43 -11.610  14.284  -7.502
  312    H    GLN  44           H        GLN  44 -11.641  10.160  -8.815
  313    HA   GLN  44           HA       GLN  44 -13.428  10.811  -6.607
  314    HB2  GLN  44           2HB      GLN  44 -13.521   8.543  -8.610
  315    HB3  GLN  44           1HB      GLN  44 -14.795   8.955  -7.462
  316    HG2  GLN  44           2HG      GLN  44 -13.749  11.017  -9.387
  317    HG3  GLN  44           1HG      GLN  44 -14.976   9.858  -9.895
  318   HE21  GLN  44          1HE2      GLN  44 -15.207  10.537  -6.553
  319   HE22  GLN  44          2HE2      GLN  44 -16.464  11.673  -6.634
  320    H    PHE  45           H        PHE  45 -10.612   9.855  -6.212
  321    HA   PHE  45           HA       PHE  45 -10.614   7.193  -5.277
  322    HB2  PHE  45           2HB      PHE  45  -8.779   9.375  -5.379
  323    HB3  PHE  45           1HB      PHE  45  -8.769   8.706  -3.748
  324    HD1  PHE  45           2HD      PHE  45  -8.906   7.513  -7.302
  325    HD2  PHE  45           1HD      PHE  45  -7.372   6.881  -3.341
  326    HE1  PHE  45           2HE      PHE  45  -7.598   5.572  -8.118
  327    HE2  PHE  45           1HE      PHE  45  -6.062   4.941  -4.159
  328    HZ   PHE  45           HZ       PHE  45  -6.180   4.283  -6.544
  329    HA   PRO  46           HA       PRO  46 -11.454   9.136  -0.954
  330    HB2  PRO  46           2HB      PRO  46 -13.282  11.351  -1.639
  331    HB3  PRO  46           1HB      PRO  46 -11.905  11.337  -0.523
  332    HG2  PRO  46           2HG      PRO  46 -11.863  12.623  -2.895
  333    HG3  PRO  46           1HG      PRO  46 -10.418  11.935  -2.137
  334    HD2  PRO  46           2HD      PRO  46 -12.007  10.901  -4.448
  335    HD3  PRO  46           1HD      PRO  46 -10.263  10.767  -4.123
  336    H    ILE  47           H        ILE  47 -12.764   7.530  -0.379
  337    HA   ILE  47           HA       ILE  47 -15.614   7.717  -0.654
  338    HB   ILE  47           HB       ILE  47 -15.743   5.392  -1.777
  339   HG12  ILE  47          2HG1      ILE  47 -13.292   5.968  -3.280
  340   HG13  ILE  47          1HG1      ILE  47 -12.989   5.564  -1.591
  341   HG21  ILE  47          1HG2      ILE  47 -14.674   7.394  -3.737
  342   HG22  ILE  47          2HG2      ILE  47 -16.147   7.789  -2.852
  343   HG23  ILE  47          3HG2      ILE  47 -16.085   6.350  -3.863
  344   HD11  ILE  47          3HD1      ILE  47 -14.084   3.462  -1.792
  345   HD12  ILE  47          1HD1      ILE  47 -13.083   3.600  -3.239
  346   HD13  ILE  47          2HD1      ILE  47 -14.819   3.905  -3.333
  347    H    ASN  48           H        ASN  48 -16.555   5.446   0.123
  348    HA   ASN  48           HA       ASN  48 -15.602   5.069   2.763
  349    HB2  ASN  48           2HB      ASN  48 -17.951   4.604   1.764
  350    HB3  ASN  48           1HB      ASN  48 -17.278   3.041   1.302
  351   HD21  ASN  48          1HD2      ASN  48 -15.502   3.586   3.930
  352   HD22  ASN  48          2HD2      ASN  48 -16.513   2.972   5.147
  353    H    ILE  49           H        ILE  49 -13.470   4.451   2.845
  354    HA   ILE  49           HA       ILE  49 -12.216   2.548   1.215
  355    HB   ILE  49           HB       ILE  49 -11.559   3.334   4.061
  356   HG12  ILE  49          2HG1      ILE  49 -10.419   4.339   1.434
  357   HG13  ILE  49          1HG1      ILE  49 -11.669   5.186   2.345
  358   HG21  ILE  49          1HG2      ILE  49 -10.031   1.673   3.895
  359   HG22  ILE  49          2HG2      ILE  49  -9.229   2.671   2.682
  360   HG23  ILE  49          3HG2      ILE  49 -10.378   1.431   2.182
  361   HD11  ILE  49          3HD1      ILE  49  -8.843   4.570   3.238
  362   HD12  ILE  49          1HD1      ILE  49 -10.096   5.150   4.335
  363   HD13  ILE  49          2HD1      ILE  49  -9.570   6.159   2.989
  364    H    VAL  50           H        VAL  50 -13.051   2.054   4.646
  365    HA   VAL  50           HA       VAL  50 -12.642  -0.593   4.934
  366    HB   VAL  50           HB       VAL  50 -13.470   0.546   6.818
  367   HG11  VAL  50          1HG1      VAL  50 -14.701   2.302   5.617
  368   HG12  VAL  50          2HG1      VAL  50 -15.711   1.588   6.874
  369   HG13  VAL  50          3HG1      VAL  50 -15.954   1.137   5.186
  370   HG21  VAL  50          3HG2      VAL  50 -15.066  -0.957   7.636
  371   HG22  VAL  50          1HG2      VAL  50 -14.368  -1.865   6.294
  372   HG23  VAL  50          2HG2      VAL  50 -15.914  -1.043   6.092
  373    H    ALA  51           H        ALA  51 -15.492   0.810   3.356
  374    HA   ALA  51           HA       ALA  51 -16.942  -1.552   2.971
  375    HB1  ALA  51           1HB      ALA  51 -17.656   0.883   2.608
  376    HB2  ALA  51           2HB      ALA  51 -18.285  -0.327   1.489
  377    HB3  ALA  51           3HB      ALA  51 -16.950   0.716   1.001
  378    H    VAL  52           H        VAL  52 -14.160  -0.349   1.223
  379    HA   VAL  52           HA       VAL  52 -14.616  -2.248  -0.956
  380    HB   VAL  52           HB       VAL  52 -13.095  -1.070  -2.197
  381   HG11  VAL  52          1HG1      VAL  52 -14.850   0.470  -1.002
  382   HG12  VAL  52          2HG1      VAL  52 -13.544   1.194  -1.938
  383   HG13  VAL  52          3HG1      VAL  52 -13.432   1.121  -0.181
  384   HG21  VAL  52          3HG2      VAL  52 -11.631  -0.512   0.396
  385   HG22  VAL  52          1HG2      VAL  52 -11.193   0.244  -1.126
  386   HG23  VAL  52          2HG2      VAL  52 -11.086  -1.504  -0.954
  387    H    LYS  53           H        LYS  53 -12.399  -1.684   1.722
  388    HA   LYS  53           HA       LYS  53 -10.531  -3.691   1.266
  389    HB2  LYS  53           2HB      LYS  53 -11.652  -2.884   3.950
  390    HB3  LYS  53           1HB      LYS  53 -10.057  -3.561   3.621
  391    HG2  LYS  53           2HG      LYS  53 -10.039  -1.424   1.935
  392    HG3  LYS  53           1HG      LYS  53 -11.052  -0.796   3.230
  393    HD2  LYS  53           2HD      LYS  53  -8.310  -2.032   3.629
  394    HD3  LYS  53           1HD      LYS  53  -8.641  -0.302   3.590
  395    HE2  LYS  53           2HE      LYS  53  -9.889  -2.247   5.556
  396    HE3  LYS  53           1HE      LYS  53  -8.529  -1.187   5.915
  397    HZ1  LYS  53           3HZ      LYS  53 -11.138  -0.542   6.217
  398    HZ2  LYS  53           1HZ      LYS  53 -10.758   0.180   4.730
  399    HZ3  LYS  53           2HZ      LYS  53  -9.857   0.569   6.117
  400    H    ASN  54           H        ASN  54 -13.842  -3.913   2.065
  401    HA   ASN  54           HA       ASN  54 -13.632  -6.657   3.070
  402    HB2  ASN  54           2HB      ASN  54 -15.711  -4.534   3.053
  403    HB3  ASN  54           1HB      ASN  54 -16.283  -6.199   2.963
  404   HD21  ASN  54          1HD2      ASN  54 -14.245  -4.013   4.946
  405   HD22  ASN  54          2HD2      ASN  54 -14.416  -4.908   6.379
  406    H    ASP  55           H        ASP  55 -15.203  -4.844   0.456
  407    HA   ASP  55           HA       ASP  55 -15.878  -7.330  -0.928
  408    HB2  ASP  55           2HB      ASP  55 -17.638  -6.061  -1.494
  409    HB3  ASP  55           1HB      ASP  55 -16.838  -4.590  -0.947
  410    H    HIS  56           H        HIS  56 -14.266  -4.282  -1.872
  411    HA   HIS  56           HA       HIS  56 -13.092  -5.432  -4.208
  412    HB2  HIS  56           2HB      HIS  56 -13.610  -2.919  -3.527
  413    HB3  HIS  56           1HB      HIS  56 -11.941  -2.982  -2.962
  414    HD2  HIS  56           2HD      HIS  56 -13.915  -3.322  -6.368
  415    HE1  HIS  56           1HE      HIS  56  -9.805  -2.892  -7.231
  416    HE2  HIS  56           2HE      HIS  56 -12.130  -3.015  -8.249
  417    H    ASP  57           H        ASP  57 -12.483  -6.908  -1.776
  418    HA   ASP  57           HA       ASP  57  -9.551  -6.851  -2.000
  419    HB2  ASP  57           2HB      ASP  57 -10.733  -5.733   0.162
  420    HB3  ASP  57           1HB      ASP  57 -10.608  -7.405   0.706
  421    H    PHE  58           H        PHE  58 -11.986  -8.574  -2.799
  422    HA   PHE  58           HA       PHE  58 -12.246 -10.943  -1.522
  423    HB2  PHE  58           2HB      PHE  58 -11.908 -11.810  -4.118
  424    HB3  PHE  58           1HB      PHE  58 -13.406 -11.179  -3.437
  425    HD1  PHE  58           2HD      PHE  58 -10.249 -10.120  -5.139
  426    HD2  PHE  58           1HD      PHE  58 -14.346  -9.178  -4.254
  427    HE1  PHE  58           2HE      PHE  58 -10.141  -8.191  -6.694
  428    HE2  PHE  58           1HE      PHE  58 -14.238  -7.249  -5.808
  429    HZ   PHE  58           HZ       PHE  58 -12.134  -6.755  -7.027
  430    H    LEU  59           H        LEU  59  -9.341  -9.726  -2.956
  431    HA   LEU  59           HA       LEU  59  -7.940 -12.183  -3.247
  432    HB2  LEU  59           2HB      LEU  59  -7.425  -9.465  -3.742
  433    HB3  LEU  59           1HB      LEU  59  -6.198  -9.975  -2.582
  434    HG   LEU  59           HG       LEU  59  -5.750 -11.974  -4.056
  435   HD11  LEU  59          1HD1      LEU  59  -8.111 -11.074  -5.308
  436   HD12  LEU  59          2HD1      LEU  59  -7.066 -12.391  -5.836
  437   HD13  LEU  59          3HD1      LEU  59  -6.814 -10.762  -6.460
  438   HD21  LEU  59          3HD2      LEU  59  -4.808 -10.382  -5.980
  439   HD22  LEU  59          1HD2      LEU  59  -4.114 -10.360  -4.357
  440   HD23  LEU  59          2HD2      LEU  59  -5.277  -9.123  -4.836
  441    H    GLU  60           H        GLU  60  -5.691 -12.230  -1.898
  442    HA   GLU  60           HA       GLU  60  -6.207 -13.315   0.565
  443    HB2  GLU  60           2HB      GLU  60  -3.854 -12.982   1.098
  444    HB3  GLU  60           1HB      GLU  60  -4.014 -13.416  -0.604
  445    HG2  GLU  60           2HG      GLU  60  -4.016 -10.927  -1.119
  446    HG3  GLU  60           1HG      GLU  60  -3.551 -10.662   0.560
  447    H    LYS  61           H        LYS  61  -6.006 -12.568   2.733
  448    HA   LYS  61           HA       LYS  61  -7.249 -10.049   3.205
  449    HB2  LYS  61           2HB      LYS  61  -7.689 -11.757   4.789
  450    HB3  LYS  61           1HB      LYS  61  -5.972 -12.091   5.020
  451    HG2  LYS  61           2HG      LYS  61  -5.642 -10.233   6.353
  452    HG3  LYS  61           1HG      LYS  61  -6.941  -9.321   5.585
  453    HD2  LYS  61           2HD      LYS  61  -7.664 -11.780   7.130
  454    HD3  LYS  61           1HD      LYS  61  -7.243 -10.320   8.027
  455    HE2  LYS  61           2HE      LYS  61  -9.352 -10.488   5.853
  456    HE3  LYS  61           1HE      LYS  61  -9.677 -10.438   7.585
  457    HZ1  LYS  61           3HZ      LYS  61  -8.556  -8.327   5.856
  458    HZ2  LYS  61           1HZ      LYS  61  -8.286  -8.308   7.531
  459    HZ3  LYS  61           2HZ      LYS  61  -9.872  -8.241   6.926
  460    H    ASP  62           H        ASP  62  -3.923 -11.194   3.305
  461    HA   ASP  62           HA       ASP  62  -2.722  -9.079   4.679
  462    HB2  ASP  62           2HB      ASP  62  -1.455 -11.060   4.123
  463    HB3  ASP  62           1HB      ASP  62  -1.669 -10.764   2.397
  464    H    LEU  63           H        LEU  63  -4.520  -8.911   1.889
  465    HA   LEU  63           HA       LEU  63  -3.021  -6.633   0.791
  466    HB2  LEU  63           2HB      LEU  63  -4.413  -8.723  -0.432
  467    HB3  LEU  63           1HB      LEU  63  -5.469  -7.325  -0.614
  468    HG   LEU  63           HG       LEU  63  -3.543  -6.028  -1.526
  469   HD11  LEU  63          1HD1      LEU  63  -1.474  -6.819  -1.103
  470   HD12  LEU  63          2HD1      LEU  63  -1.779  -8.055  -2.323
  471   HD13  LEU  63          3HD1      LEU  63  -2.108  -8.393  -0.624
  472   HD21  LEU  63          3HD2      LEU  63  -5.105  -7.915  -2.817
  473   HD22  LEU  63          1HD2      LEU  63  -3.471  -8.362  -3.305
  474   HD23  LEU  63          2HD2      LEU  63  -4.070  -6.734  -3.616
  475    H    VAL  64           H        VAL  64  -5.120  -6.990   3.189
  476    HA   VAL  64           HA       VAL  64  -6.981  -4.861   2.450
  477    HB   VAL  64           HB       VAL  64  -6.729  -6.768   4.749
  478   HG11  VAL  64          1HG1      VAL  64  -8.093  -4.078   4.761
  479   HG12  VAL  64          2HG1      VAL  64  -7.083  -4.806   6.009
  480   HG13  VAL  64          3HG1      VAL  64  -8.713  -5.413   5.732
  481   HG21  VAL  64          3HG2      VAL  64  -8.075  -7.315   2.732
  482   HG22  VAL  64          1HG2      VAL  64  -9.043  -5.867   3.004
  483   HG23  VAL  64          2HG2      VAL  64  -9.079  -7.185   4.175
  484    H    GLU  65           H        GLU  65  -4.399  -5.468   4.806
  485    HA   GLU  65           HA       GLU  65  -4.481  -3.004   6.132
  486    HB2  GLU  65           2HB      GLU  65  -2.577  -5.227   5.877
  487    HB3  GLU  65           1HB      GLU  65  -1.829  -3.665   6.222
  488    HG2  GLU  65           2HG      GLU  65  -3.187  -3.355   8.178
  489    HG3  GLU  65           1HG      GLU  65  -4.197  -4.740   7.768
  490    HA   PRO  66           HA       PRO  66  -0.951  -1.368   3.222
  491    HB2  PRO  66           2HB      PRO  66  -0.929  -2.715   0.752
  492    HB3  PRO  66           1HB      PRO  66   0.273  -2.873   2.045
  493    HG2  PRO  66           2HG      PRO  66  -2.008  -4.622   1.354
  494    HG3  PRO  66           1HG      PRO  66  -0.426  -5.039   2.029
  495    HD2  PRO  66           2HD      PRO  66  -2.661  -5.029   3.542
  496    HD3  PRO  66           1HD      PRO  66  -1.080  -4.571   4.205
  497    H    LEU  67           H        LEU  67  -3.798  -2.805   1.627
  498    HA   LEU  67           HA       LEU  67  -4.210  -0.833  -0.312
  499    HB2  LEU  67           2HB      LEU  67  -5.429  -2.999  -0.230
  500    HB3  LEU  67           1HB      LEU  67  -6.334  -2.415   1.161
  501    HG   LEU  67           HG       LEU  67  -7.184  -0.528  -0.225
  502   HD11  LEU  67          1HD1      LEU  67  -5.695  -0.129  -1.951
  503   HD12  LEU  67          2HD1      LEU  67  -6.894  -1.100  -2.801
  504   HD13  LEU  67          3HD1      LEU  67  -5.398  -1.843  -2.237
  505   HD21  LEU  67          3HD2      LEU  67  -8.799  -2.157  -0.234
  506   HD22  LEU  67          1HD2      LEU  67  -7.687  -3.399  -0.807
  507   HD23  LEU  67          2HD2      LEU  67  -8.369  -2.236  -1.943
  508    H    CYS  68           H        CYS  68  -5.391  -1.024   3.035
  509    HA   CYS  68           HA       CYS  68  -6.926   1.353   2.967
  510    HB2  CYS  68           2HB      CYS  68  -7.352   0.890   5.144
  511    HB3  CYS  68           1HB      CYS  68  -6.540  -0.637   4.799
  512    HG   CYS  68           HG       CYS  68  -4.309   0.432   5.728
  513    H    ARG  69           H        ARG  69  -3.580   0.843   2.878
  514    HA   ARG  69           HA       ARG  69  -2.869   3.379   4.123
  515    HB2  ARG  69           2HB      ARG  69  -1.527   1.075   4.031
  516    HB3  ARG  69           1HB      ARG  69  -0.897   1.793   2.548
  517    HG2  ARG  69           2HG      ARG  69  -0.450   3.899   3.938
  518    HG3  ARG  69           1HG      ARG  69  -0.743   2.894   5.358
  519    HD2  ARG  69           2HD      ARG  69   1.589   2.747   5.058
  520    HD3  ARG  69           1HD      ARG  69   0.983   1.272   4.310
  521    HE   ARG  69           HE       ARG  69   1.166   3.397   2.404
  522   HH11  ARG  69          1HH2      ARG  69   2.991   1.081   4.218
  523   HH12  ARG  69          2HH2      ARG  69   4.274   0.980   3.059
  524   HH21  ARG  69          1HH1      ARG  69   2.847   3.269   0.881
  525   HH22  ARG  69          2HH1      ARG  69   4.192   2.217   1.169
  526    H    ARG  70           H        ARG  70  -2.854   1.905   0.890
  527    HA   ARG  70           HA       ARG  70  -1.805   4.196  -0.443
  528    HB2  ARG  70           2HB      ARG  70  -3.535   2.043  -1.667
  529    HB3  ARG  70           1HB      ARG  70  -2.342   3.048  -2.478
  530    HG2  ARG  70           2HG      ARG  70  -1.872   0.797  -0.529
  531    HG3  ARG  70           1HG      ARG  70  -1.254   0.967  -2.166
  532    HD2  ARG  70           2HD      ARG  70   0.001   3.034  -1.312
  533    HD3  ARG  70           1HD      ARG  70  -0.404   2.477   0.308
  534    HE   ARG  70           HE       ARG  70   0.709   0.272  -0.713
  535   HH11  ARG  70          1HH2      ARG  70   1.643   3.600  -0.880
  536   HH12  ARG  70          2HH2      ARG  70   3.334   3.261  -1.016
  537   HH21  ARG  70          1HH1      ARG  70   2.925  -0.180  -0.897
  538   HH22  ARG  70          2HH1      ARG  70   4.061   1.121  -1.024
  539    H    LEU  71           H        LEU  71  -5.126   2.852  -0.494
  540    HA   LEU  71           HA       LEU  71  -6.367   4.912  -1.840
  541    HB2  LEU  71           2HB      LEU  71  -7.551   3.445   0.526
  542    HB3  LEU  71           1HB      LEU  71  -8.435   4.224  -0.787
  543    HG   LEU  71           HG       LEU  71  -6.542   1.871  -1.087
  544   HD11  LEU  71          1HD1      LEU  71  -8.664   1.257  -0.014
  545   HD12  LEU  71          2HD1      LEU  71  -8.616   0.641  -1.668
  546   HD13  LEU  71          3HD1      LEU  71  -9.557   2.082  -1.289
  547   HD21  LEU  71          3HD2      LEU  71  -6.391   2.879  -3.151
  548   HD22  LEU  71          1HD2      LEU  71  -7.964   3.661  -3.015
  549   HD23  LEU  71          2HD2      LEU  71  -7.860   1.942  -3.406
  550    H    ASN  72           H        ASN  72  -5.763   4.683   1.657
  551    HA   ASN  72           HA       ASN  72  -6.981   7.089   2.413
  552    HB2  ASN  72           2HB      ASN  72  -6.293   5.455   4.067
  553    HB3  ASN  72           1HB      ASN  72  -4.601   5.657   3.613
  554   HD21  ASN  72          1HD2      ASN  72  -7.151   6.929   5.592
  555   HD22  ASN  72          2HD2      ASN  72  -6.294   8.264   6.197
  556    H    THR  73           H        THR  73  -3.778   6.426   1.100
  557    HA   THR  73           HA       THR  73  -2.625   8.961   1.606
  558    HB   THR  73           HB       THR  73  -1.988   7.174  -0.747
  559    HG1  THR  73           1HG      THR  73  -1.797   5.802   0.891
  560   HG21  THR  73          3HG2      THR  73  -0.110   8.423  -0.958
  561   HG22  THR  73          1HG2      THR  73   0.138   8.503   0.787
  562   HG23  THR  73          2HG2      THR  73  -0.978   9.621   0.004
  563    H    LEU  74           H        LEU  74  -4.022   7.667  -1.424
  564    HA   LEU  74           HA       LEU  74  -3.929  10.111  -2.830
  565    HB2  LEU  74           2HB      LEU  74  -5.114   7.463  -3.213
  566    HB3  LEU  74           1HB      LEU  74  -6.085   8.764  -3.907
  567    HG   LEU  74           HG       LEU  74  -4.165   9.585  -5.159
  568   HD11  LEU  74          1HD1      LEU  74  -2.744   7.782  -3.312
  569   HD12  LEU  74          2HD1      LEU  74  -2.176   9.241  -4.120
  570   HD13  LEU  74          3HD1      LEU  74  -2.182   7.703  -4.980
  571   HD21  LEU  74          3HD2      LEU  74  -5.566   7.570  -5.959
  572   HD22  LEU  74          1HD2      LEU  74  -4.176   6.584  -5.509
  573   HD23  LEU  74          2HD2      LEU  74  -4.010   7.828  -6.749
  574    H    ASN  75           H        ASN  75  -6.607   8.545  -1.071
  575    HA   ASN  75           HA       ASN  75  -8.633  10.349  -1.487
  576    HB2  ASN  75           2HB      ASN  75  -7.895   8.911   1.072
  577    HB3  ASN  75           1HB      ASN  75  -9.424   9.750   0.818
  578   HD21  ASN  75          1HD2      ASN  75  -9.258   6.905   1.289
  579   HD22  ASN  75          2HD2      ASN  75  -9.788   6.124  -0.119
  580    H    LYS  76           H        LYS  76  -5.712  10.790   0.330
  581    HA   LYS  76           HA       LYS  76  -6.672  13.257   1.576
  582    HB2  LYS  76           2HB      LYS  76  -4.113  11.669   1.786
  583    HB3  LYS  76           1HB      LYS  76  -4.315  13.249   2.537
  584    HG2  LYS  76           2HG      LYS  76  -6.153  12.464   3.876
  585    HG3  LYS  76           1HG      LYS  76  -6.208  10.938   2.995
  586    HD2  LYS  76           2HD      LYS  76  -4.073  10.259   3.879
  587    HD3  LYS  76           1HD      LYS  76  -3.794  11.856   4.577
  588    HE2  LYS  76           2HE      LYS  76  -5.466  11.553   6.226
  589    HE3  LYS  76           1HE      LYS  76  -6.185  10.191   5.366
  590    HZ1  LYS  76           3HZ      LYS  76  -4.444   9.962   7.395
  591    HZ2  LYS  76           1HZ      LYS  76  -3.402   9.849   6.062
  592    HZ3  LYS  76           2HZ      LYS  76  -4.705   8.767   6.215
  593    H    CYS  77           H        CYS  77  -4.714  12.142  -1.067
  594    HA   CYS  77           HA       CYS  77  -3.635  14.823  -1.557
  595    HB2  CYS  77           2HB      CYS  77  -2.211  12.732  -1.698
  596    HB3  CYS  77           1HB      CYS  77  -3.130  12.304  -3.141
  597    HG   CYS  77           HG       CYS  77  -1.954  14.078  -4.444
  598    H    ALA  78           H        ALA  78  -6.331  13.010  -2.364
  599    HA   ALA  78           HA       ALA  78  -6.627  13.901  -5.098
  600    HB1  ALA  78           1HB      ALA  78  -9.032  13.018  -4.657
  601    HB2  ALA  78           2HB      ALA  78  -8.355  12.399  -3.150
  602    HB3  ALA  78           3HB      ALA  78  -7.702  11.861  -4.699
  603    H    SER  79           H        SER  79  -6.922  15.396  -2.138
  604    HA   SER  79           HA       SER  79  -9.277  16.889  -2.296
  605    HB2  SER  79           2HB      SER  79  -6.580  17.599  -1.133
  606    HB3  SER  79           1HB      SER  79  -8.025  18.581  -0.913
  607    HG   SER  79           HG       SER  79  -8.554  15.988  -0.414
  608    H    MET  80           H        MET  80  -6.556  16.959  -4.326
  609    HA   MET  80           HA       MET  80  -6.111  18.211  -6.208
  610    HB2  MET  80           2HB      MET  80  -8.801  18.390  -6.026
  611    HB3  MET  80           1HB      MET  80  -8.369  20.085  -5.810
  612    HG2  MET  80           2HG      MET  80  -6.983  19.968  -7.874
  613    HG3  MET  80           1HG      MET  80  -7.509  18.300  -8.105
  614    HE1  MET  80           3HE      MET  80  -8.255  19.056 -10.533
  615    HE2  MET  80           1HE      MET  80 -10.021  18.989 -10.634
  616    HE3  MET  80           2HE      MET  80  -9.142  17.775  -9.710
  617    H    LYS  81           H        LYS  81  -5.151  20.234  -6.753
  618    HA   LYS  81           HA       LYS  81  -4.107  21.640  -4.456
  619    HB2  LYS  81           2HB      LYS  81  -2.826  22.923  -6.168
  620    HB3  LYS  81           1HB      LYS  81  -2.621  21.178  -6.318
  621    HG2  LYS  81           2HG      LYS  81  -3.457  21.209  -8.406
  622    HG3  LYS  81           1HG      LYS  81  -4.919  22.023  -7.846
  623    HD2  LYS  81           2HD      LYS  81  -3.758  23.404  -9.517
  624    HD3  LYS  81           1HD      LYS  81  -3.737  24.196  -7.941
  625    HE2  LYS  81           2HE      LYS  81  -1.484  24.140  -7.857
  626    HE3  LYS  81           1HE      LYS  81  -1.455  22.423  -8.257
  627    HZ1  LYS  81           3HZ      LYS  81  -2.067  23.347 -10.614
  628    HZ2  LYS  81           1HZ      LYS  81  -0.453  23.290 -10.092
  629    HZ3  LYS  81           2HZ      LYS  81  -1.315  24.753 -10.027
  Start of MODEL    5
    1    H1   MET   1           1HT      MET   1  -7.107   0.197  32.802
    2    H2   MET   1           2HT      MET   1  -8.571  -0.592  33.152
    3    H3   MET   1           3HT      MET   1  -7.219  -0.817  34.157
    4    HA   MET   1           HA       MET   1  -9.041   1.471  33.964
    5    HB2  MET   1           2HB      MET   1  -7.586   0.618  36.425
    6    HB3  MET   1           1HB      MET   1  -9.255   1.159  36.237
    7    HG2  MET   1           2HG      MET   1  -9.642  -1.038  34.953
    8    HG3  MET   1           1HG      MET   1  -8.092  -1.559  35.615
    9    HE1  MET   1           2HE      MET   1  -9.669  -3.422  36.154
   10    HE2  MET   1           3HE      MET   1 -11.325  -2.845  36.334
   11    HE3  MET   1           1HE      MET   1 -10.487  -3.585  37.706
   12    H    HIS   2           H        HIS   2  -6.039   1.079  33.005
   13    HA   HIS   2           HA       HIS   2  -4.818   3.292  34.492
   14    HB2  HIS   2           2HB      HIS   2  -2.767   2.562  33.695
   15    HB3  HIS   2           1HB      HIS   2  -3.659   1.042  33.771
   16    HD2  HIS   2           2HD      HIS   2  -1.419   2.541  31.290
   17    HE1  HIS   2           1HE      HIS   2  -4.467   0.871  28.895
   18    HE2  HIS   2           2HE      HIS   2  -2.115   1.827  28.877
   19    H    HIS   3           H        HIS   3  -4.249   5.234  33.565
   20    HA   HIS   3           HA       HIS   3  -4.854   5.681  30.732
   21    HB2  HIS   3           2HB      HIS   3  -6.796   6.267  32.518
   22    HB3  HIS   3           1HB      HIS   3  -5.881   7.775  32.558
   23    HD2  HIS   3           2HD      HIS   3  -5.442   8.834  29.774
   24    HE1  HIS   3           1HE      HIS   3  -9.016   7.060  28.392
   25    HE2  HIS   3           2HE      HIS   3  -7.212   8.766  27.854
   26    H    HIS   4           H        HIS   4  -3.035   6.523  29.953
   27    HA   HIS   4           HA       HIS   4  -1.758   8.729  31.429
   28    HB2  HIS   4           2HB      HIS   4  -0.218   6.466  30.140
   29    HB3  HIS   4           1HB      HIS   4   0.451   7.825  31.046
   30    HD2  HIS   4           2HD      HIS   4   0.265   4.388  31.938
   31    HE1  HIS   4           1HE      HIS   4  -1.553   6.155  35.315
   32    HE2  HIS   4           2HE      HIS   4  -0.474   4.037  34.417
   33    H    HIS   5           H        HIS   5  -3.538   8.659  29.117
   34    HA   HIS   5           HA       HIS   5  -1.841   9.211  26.816
   35    HB2  HIS   5           2HB      HIS   5  -3.712   8.367  25.876
   36    HB3  HIS   5           1HB      HIS   5  -4.691   8.717  27.300
   37    HD2  HIS   5           2HD      HIS   5  -6.144  11.119  27.172
   38    HE1  HIS   5           1HE      HIS   5  -4.662  12.408  23.436
   39    HE2  HIS   5           2HE      HIS   5  -6.365  12.881  25.258
   40    H    HIS   6           H        HIS   6  -0.842  11.113  26.700
   41    HA   HIS   6           HA       HIS   6  -2.386  13.561  27.042
   42    HB2  HIS   6           2HB      HIS   6  -0.530  14.525  28.499
   43    HB3  HIS   6           1HB      HIS   6  -1.610  13.370  29.281
   44    HD2  HIS   6           2HD      HIS   6   1.144  13.261  30.768
   45    HE1  HIS   6           1HE      HIS   6   2.341  10.166  28.157
   46    HE2  HIS   6           2HE      HIS   6   2.848  11.325  30.359
   47    H    HIS   7           H        HIS   7   0.900  14.105  27.406
   48    HA   HIS   7           HA       HIS   7   1.286  15.535  25.088
   49    HB2  HIS   7           2HB      HIS   7   3.443  13.893  26.428
   50    HB3  HIS   7           1HB      HIS   7   3.648  15.378  25.499
   51    HD2  HIS   7           2HD      HIS   7   3.080  17.755  26.918
   52    HE1  HIS   7           1HE      HIS   7   2.096  15.899  30.580
   53    HE2  HIS   7           2HE      HIS   7   2.544  18.127  29.447
   54    H    SER   8           H        SER   8   0.693  14.741  23.139
   55    HA   SER   8           HA       SER   8   2.150  12.374  22.165
   56    HB2  SER   8           2HB      SER   8  -0.170  11.707  22.802
   57    HB3  SER   8           1HB      SER   8  -0.788  12.886  21.649
   58    HG   SER   8           HG       SER   8   1.135  11.021  20.818
   59    H    SER   9           H        SER   9   3.506  13.462  20.817
   60    HA   SER   9           HA       SER   9   2.332  15.364  18.894
   61    HB2  SER   9           2HB      SER   9   4.964  15.601  18.450
   62    HB3  SER   9           1HB      SER   9   4.141  16.492  19.728
   63    HG   SER   9           HG       SER   9   5.694  14.138  19.890
   64    H    GLY  10           H        GLY  10   1.468  14.008  17.346
   65    HA2  GLY  10           2HA      GLY  10   3.442  12.515  15.744
   66    HA3  GLY  10           1HA      GLY  10   1.942  11.727  16.226
   67    H    LEU  11           H        LEU  11   3.223  14.539  14.477
   68    HA   LEU  11           HA       LEU  11   1.020  14.270  12.550
   69    HB2  LEU  11           2HB      LEU  11   0.960  16.863  12.551
   70    HB3  LEU  11           1HB      LEU  11   0.115  16.006  13.839
   71    HG   LEU  11           HG       LEU  11   2.967  16.589  14.374
   72   HD11  LEU  11          1HD1      LEU  11   2.301  18.667  13.239
   73   HD12  LEU  11          2HD1      LEU  11   2.488  18.948  14.970
   74   HD13  LEU  11          3HD1      LEU  11   0.876  18.786  14.271
   75   HD21  LEU  11          3HD2      LEU  11   2.173  16.845  16.590
   76   HD22  LEU  11          1HD2      LEU  11   1.144  15.580  15.916
   77   HD23  LEU  11          2HD2      LEU  11   0.538  17.230  16.050
   78    H    VAL  12           H        VAL  12   2.218  13.689  10.821
   79    HA   VAL  12           HA       VAL  12   4.311  15.575   9.942
   80    HB   VAL  12           HB       VAL  12   4.490  12.555   9.880
   81   HG11  VAL  12          1HG1      VAL  12   5.812  14.679   8.346
   82   HG12  VAL  12          2HG1      VAL  12   5.773  12.941   8.053
   83   HG13  VAL  12          3HG1      VAL  12   6.948  13.619   9.179
   84   HG21  VAL  12          3HG2      VAL  12   4.952  13.666  12.083
   85   HG22  VAL  12          1HG2      VAL  12   6.206  14.621  11.294
   86   HG23  VAL  12          2HG2      VAL  12   6.369  12.869  11.401
   87    HA   PRO  13           HA       PRO  13   1.258  14.528   6.588
   88    HB2  PRO  13           2HB      PRO  13   0.234  17.014   6.206
   89    HB3  PRO  13           1HB      PRO  13  -0.395  15.902   7.435
   90    HG2  PRO  13           2HG      PRO  13   1.380  18.258   7.746
   91    HG3  PRO  13           1HG      PRO  13   0.113  17.645   8.820
   92    HD2  PRO  13           2HD      PRO  13   2.848  17.235   9.185
   93    HD3  PRO  13           1HD      PRO  13   1.562  16.256   9.926
   94    H    ARG  14           H        ARG  14   1.090  15.670   4.362
   95    HA   ARG  14           HA       ARG  14   2.226  16.221   2.438
   96    HB2  ARG  14           2HB      ARG  14   2.547  18.364   4.358
   97    HB3  ARG  14           1HB      ARG  14   3.914  18.291   3.245
   98    HG2  ARG  14           2HG      ARG  14   2.366  18.283   1.329
   99    HG3  ARG  14           1HG      ARG  14   0.992  18.343   2.435
  100    HD2  ARG  14           2HD      ARG  14   1.939  20.479   3.366
  101    HD3  ARG  14           1HD      ARG  14   3.141  20.441   2.081
  102    HE   ARG  14           HE       ARG  14   0.537  20.210   0.972
  103   HH11  ARG  14          1HH2      ARG  14   2.688  22.437   2.519
  104   HH12  ARG  14          2HH2      ARG  14   2.017  23.835   1.748
  105   HH21  ARG  14          1HH1      ARG  14  -0.347  22.040  -0.043
  106   HH22  ARG  14          2HH1      ARG  14   0.299  23.610   0.297
  107    H    GLY  15           H        GLY  15   3.597  14.508   4.681
  108    HA2  GLY  15           2HA      GLY  15   6.407  14.870   4.275
  109    HA3  GLY  15           1HA      GLY  15   5.636  13.478   5.027
  110    H    SER  16           H        SER  16   5.451  11.621   3.892
  111    HA   SER  16           HA       SER  16   6.662  11.544   1.238
  112    HB2  SER  16           2HB      SER  16   6.042   8.981   1.701
  113    HB3  SER  16           1HB      SER  16   7.481   9.737   2.381
  114    HG   SER  16           HG       SER  16   5.557   8.606   3.699
  115    H    GLN  17           H        GLN  17   3.680  12.256   2.286
  116    HA   GLN  17           HA       GLN  17   1.844  10.622   1.037
  117    HB2  GLN  17           2HB      GLN  17   1.923  13.581   1.533
  118    HB3  GLN  17           1HB      GLN  17   0.583  12.873   0.631
  119    HG2  GLN  17           2HG      GLN  17   1.382  11.538   3.178
  120    HG3  GLN  17           1HG      GLN  17   0.528  13.076   3.300
  121   HE21  GLN  17          1HE2      GLN  17  -1.278  12.929   1.172
  122   HE22  GLN  17          2HE2      GLN  17  -2.326  11.613   1.397
  123    H    GLU  18           H        GLU  18   4.356  12.347  -0.425
  124    HA   GLU  18           HA       GLU  18   3.056  12.742  -2.987
  125    HB2  GLU  18           2HB      GLU  18   5.904  13.078  -2.034
  126    HB3  GLU  18           1HB      GLU  18   5.410  13.349  -3.706
  127    HG2  GLU  18           2HG      GLU  18   4.075  14.716  -1.359
  128    HG3  GLU  18           1HG      GLU  18   5.437  15.422  -2.230
  129    H    ILE  19           H        ILE  19   6.061  10.991  -2.173
  130    HA   ILE  19           HA       ILE  19   6.081   9.370  -4.444
  131    HB   ILE  19           HB       ILE  19   7.282   9.086  -1.700
  132   HG12  ILE  19          2HG1      ILE  19   9.370   9.345  -3.005
  133   HG13  ILE  19          1HG1      ILE  19   8.428   9.402  -4.495
  134   HG21  ILE  19          1HG2      ILE  19   6.949   6.804  -2.216
  135   HG22  ILE  19          2HG2      ILE  19   8.576   7.134  -2.811
  136   HG23  ILE  19          3HG2      ILE  19   7.223   7.063  -3.939
  137   HD11  ILE  19          3HD1      ILE  19   7.916  11.324  -2.223
  138   HD12  ILE  19          1HD1      ILE  19   7.421  11.470  -3.910
  139   HD13  ILE  19          2HD1      ILE  19   9.117  11.660  -3.470
  140    H    GLU  20           H        GLU  20   4.161   9.200  -1.594
  141    HA   GLU  20           HA       GLU  20   3.485   6.421  -1.757
  142    HB2  GLU  20           2HB      GLU  20   2.196   8.766  -0.356
  143    HB3  GLU  20           1HB      GLU  20   1.586   7.114  -0.239
  144    HG2  GLU  20           2HG      GLU  20   4.487   7.659   0.308
  145    HG3  GLU  20           1HG      GLU  20   3.290   7.996   1.557
  146    H    ALA  21           H        ALA  21   2.339   9.349  -3.245
  147    HA   ALA  21           HA       ALA  21  -0.199   8.374  -4.103
  148    HB1  ALA  21           1HB      ALA  21   1.549  10.607  -5.147
  149    HB2  ALA  21           2HB      ALA  21   0.154  10.753  -4.078
  150    HB3  ALA  21           3HB      ALA  21  -0.068  10.266  -5.759
  151    H    LYS  22           H        LYS  22   2.698   9.062  -6.081
  152    HA   LYS  22           HA       LYS  22   1.905   7.720  -8.370
  153    HB2  LYS  22           2HB      LYS  22   4.107   9.113  -7.722
  154    HB3  LYS  22           1HB      LYS  22   4.768   7.482  -7.606
  155    HG2  LYS  22           2HG      LYS  22   5.113   7.991  -9.865
  156    HG3  LYS  22           1HG      LYS  22   3.585   7.111  -9.910
  157    HD2  LYS  22           2HD      LYS  22   2.663   9.629  -9.491
  158    HD3  LYS  22           1HD      LYS  22   4.126   9.985 -10.409
  159    HE2  LYS  22           2HE      LYS  22   2.229   9.685 -11.935
  160    HE3  LYS  22           1HE      LYS  22   3.397   8.384 -12.158
  161    HZ1  LYS  22           3HZ      LYS  22   1.658   7.574 -10.156
  162    HZ2  LYS  22           1HZ      LYS  22   1.782   6.955 -11.730
  163    HZ3  LYS  22           2HZ      LYS  22   0.689   8.212 -11.396
  164    H    GLU  23           H        GLU  23   3.399   6.436  -5.446
  165    HA   GLU  23           HA       GLU  23   3.747   3.790  -6.500
  166    HB2  GLU  23           2HB      GLU  23   3.888   5.012  -3.753
  167    HB3  GLU  23           1HB      GLU  23   3.938   3.261  -3.964
  168    HG2  GLU  23           2HG      GLU  23   5.892   3.398  -5.350
  169    HG3  GLU  23           1HG      GLU  23   5.762   5.151  -5.464
  170    H    ALA  24           H        ALA  24   1.488   5.245  -4.170
  171    HA   ALA  24           HA       ALA  24  -0.160   3.217  -3.535
  172    HB1  ALA  24           1HB      ALA  24  -2.069   4.984  -3.816
  173    HB2  ALA  24           2HB      ALA  24  -0.747   6.081  -4.202
  174    HB3  ALA  24           3HB      ALA  24  -0.792   5.271  -2.636
  175    H    CYS  25           H        CYS  25  -0.426   5.100  -6.571
  176    HA   CYS  25           HA       CYS  25  -2.534   3.456  -7.596
  177    HB2  CYS  25           2HB      CYS  25  -2.721   5.163  -9.027
  178    HB3  CYS  25           1HB      CYS  25  -1.304   5.907  -8.287
  179    HG   CYS  25           HG       CYS  25  -1.306   4.263 -10.907
  180    H    ASP  26           H        ASP  26   0.978   3.529  -7.948
  181    HA   ASP  26           HA       ASP  26   1.003   1.539 -10.039
  182    HB2  ASP  26           2HB      ASP  26   2.783   3.376  -9.474
  183    HB3  ASP  26           1HB      ASP  26   3.386   2.174  -8.334
  184    H    TRP  27           H        TRP  27   0.630   1.471  -6.674
  185    HA   TRP  27           HA       TRP  27   1.775  -1.199  -6.352
  186    HB2  TRP  27           2HB      TRP  27   2.101   0.391  -4.530
  187    HB3  TRP  27           1HB      TRP  27   0.358   0.629  -4.394
  188    HD1  TRP  27           HD       TRP  27   3.125  -1.851  -3.600
  189    HE1  TRP  27           1HE      TRP  27   2.187  -3.692  -2.058
  190    HE3  TRP  27           3HE      TRP  27  -1.840  -0.672  -3.735
  191    HZ2  TRP  27           2HZ      TRP  27  -0.337  -4.549  -1.019
  192    HZ3  TRP  27           3HZ      TRP  27  -3.488  -2.013  -2.462
  193    HH2  TRP  27           HH       TRP  27  -2.744  -3.948  -1.106
  194    H    LEU  28           H        LEU  28  -1.379   0.426  -6.231
  195    HA   LEU  28           HA       LEU  28  -3.022  -1.673  -5.522
  196    HB2  LEU  28           2HB      LEU  28  -3.458   0.580  -7.485
  197    HB3  LEU  28           1HB      LEU  28  -4.741  -0.540  -7.032
  198    HG   LEU  28           HG       LEU  28  -3.163   0.845  -4.881
  199   HD11  LEU  28          1HD1      LEU  28  -5.389   2.408  -5.092
  200   HD12  LEU  28          2HD1      LEU  28  -5.031   2.111  -6.792
  201   HD13  LEU  28          3HD1      LEU  28  -3.813   2.844  -5.747
  202   HD21  LEU  28          3HD2      LEU  28  -4.868   0.165  -3.517
  203   HD22  LEU  28          1HD2      LEU  28  -5.121  -1.034  -4.781
  204   HD23  LEU  28          2HD2      LEU  28  -6.098   0.431  -4.750
  205    H    ARG  29           H        ARG  29  -2.491  -0.680  -8.907
  206    HA   ARG  29           HA       ARG  29  -3.583  -2.882 -10.153
  207    HB2  ARG  29           2HB      ARG  29  -2.071  -2.365 -12.065
  208    HB3  ARG  29           1HB      ARG  29  -2.889  -0.941 -11.423
  209    HG2  ARG  29           2HG      ARG  29  -0.904  -0.304 -10.169
  210    HG3  ARG  29           1HG      ARG  29  -0.080  -1.788 -10.655
  211    HD2  ARG  29           2HD      ARG  29   0.423   0.388 -11.989
  212    HD3  ARG  29           1HD      ARG  29   0.125  -1.097 -12.888
  213    HE   ARG  29           HE       ARG  29  -1.874  -0.180 -13.662
  214   HH11  ARG  29          1HH2      ARG  29  -0.526   1.684 -11.077
  215   HH12  ARG  29          2HH2      ARG  29  -1.636   3.001 -11.262
  216   HH21  ARG  29          1HH1      ARG  29  -3.337   1.541 -13.908
  217   HH22  ARG  29          2HH1      ARG  29  -3.227   2.920 -12.865
  218    H    ALA  30           H        ALA  30  -0.469  -2.607  -8.581
  219    HA   ALA  30           HA       ALA  30   0.509  -5.123  -9.645
  220    HB1  ALA  30           1HB      ALA  30   1.708  -2.879  -8.531
  221    HB2  ALA  30           2HB      ALA  30   2.509  -4.401  -8.916
  222    HB3  ALA  30           3HB      ALA  30   1.894  -4.116  -7.288
  223    H    ALA  31           H        ALA  31  -1.444  -4.094  -7.033
  224    HA   ALA  31           HA       ALA  31  -0.896  -6.486  -5.433
  225    HB1  ALA  31           1HB      ALA  31  -2.945  -5.219  -4.162
  226    HB2  ALA  31           2HB      ALA  31  -2.157  -3.863  -4.968
  227    HB3  ALA  31           3HB      ALA  31  -1.238  -4.887  -3.866
  228    H    GLY  32           H        GLY  32  -2.956  -5.484  -7.920
  229    HA2  GLY  32           2HA      GLY  32  -4.385  -7.101  -9.000
  230    HA3  GLY  32           1HA      GLY  32  -4.730  -7.791  -7.417
  231    H    PHE  33           H        PHE  33  -4.697  -4.365  -8.256
  232    HA   PHE  33           HA       PHE  33  -7.613  -4.222  -8.242
  233    HB2  PHE  33           2HB      PHE  33  -5.989  -2.606  -6.270
  234    HB3  PHE  33           1HB      PHE  33  -7.747  -2.659  -6.416
  235    HD1  PHE  33           1HD      PHE  33  -8.874  -4.990  -6.132
  236    HD2  PHE  33           2HD      PHE  33  -4.891  -4.079  -4.810
  237    HE1  PHE  33           1HE      PHE  33  -8.947  -6.923  -4.581
  238    HE2  PHE  33           2HE      PHE  33  -4.962  -6.013  -3.258
  239    HZ   PHE  33           HZ       PHE  33  -6.991  -7.435  -3.144
  240    HA   PRO  34           HA       PRO  34  -5.148  -1.158 -10.865
  241    HB2  PRO  34           2HB      PRO  34  -6.132  -2.024 -13.293
  242    HB3  PRO  34           1HB      PRO  34  -4.607  -2.579 -12.577
  243    HG2  PRO  34           2HG      PRO  34  -7.253  -3.913 -12.667
  244    HG3  PRO  34           1HG      PRO  34  -5.627  -4.610 -12.746
  245    HD2  PRO  34           2HD      PRO  34  -7.191  -4.674 -10.491
  246    HD3  PRO  34           1HD      PRO  34  -5.416  -4.713 -10.452
  247    H    GLN  35           H        GLN  35  -8.449  -2.380 -10.993
  248    HA   GLN  35           HA       GLN  35  -9.707  -0.305 -12.367
  249    HB2  GLN  35           2HB      GLN  35 -11.013  -2.214 -11.897
  250    HB3  GLN  35           1HB      GLN  35 -10.620  -2.166 -10.179
  251    HG2  GLN  35           2HG      GLN  35 -12.018   0.188 -11.391
  252    HG3  GLN  35           1HG      GLN  35 -12.948  -1.269 -11.056
  253   HE21  GLN  35          1HE2      GLN  35 -12.236  -2.207  -8.681
  254   HE22  GLN  35          2HE2      GLN  35 -12.270  -1.025  -7.461
  255    H    TYR  36           H        TYR  36  -8.566  -0.537  -9.075
  256    HA   TYR  36           HA       TYR  36  -9.909   1.681  -7.972
  257    HB2  TYR  36           2HB      TYR  36  -8.092  -0.228  -7.075
  258    HB3  TYR  36           1HB      TYR  36  -7.222   1.294  -6.916
  259    HD1  TYR  36           2HD      TYR  36  -9.274   3.245  -6.291
  260    HD2  TYR  36           1HD      TYR  36  -8.901  -0.823  -4.964
  261    HE1  TYR  36           2HE      TYR  36 -10.589   3.788  -4.262
  262    HE2  TYR  36           1HE      TYR  36 -10.213  -0.283  -2.936
  263    HH   TYR  36           HH       TYR  36 -10.743   2.768  -1.850
  264    H    ALA  37           H        ALA  37  -6.443   1.541  -8.833
  265    HA   ALA  37           HA       ALA  37  -5.751   4.149  -8.706
  266    HB1  ALA  37           1HB      ALA  37  -4.487   3.468 -11.026
  267    HB2  ALA  37           2HB      ALA  37  -4.892   1.879 -10.377
  268    HB3  ALA  37           3HB      ALA  37  -3.932   3.005  -9.419
  269    H    GLN  38           H        GLN  38  -7.425   2.617 -11.435
  270    HA   GLN  38           HA       GLN  38  -7.496   4.614 -13.294
  271    HB2  GLN  38           2HB      GLN  38  -9.118   2.324 -12.638
  272    HB3  GLN  38           1HB      GLN  38 -10.141   3.650 -13.195
  273    HG2  GLN  38           2HG      GLN  38  -7.655   2.715 -14.654
  274    HG3  GLN  38           1HG      GLN  38  -9.284   2.169 -15.044
  275   HE21  GLN  38          1HE2      GLN  38  -7.047   4.280 -16.154
  276   HE22  GLN  38          2HE2      GLN  38  -8.055   5.516 -16.731
  277    H    LEU  39           H        LEU  39  -9.332   4.428 -10.299
  278    HA   LEU  39           HA       LEU  39 -11.099   6.577 -10.768
  279    HB2  LEU  39           2HB      LEU  39  -9.975   5.491  -8.177
  280    HB3  LEU  39           1HB      LEU  39 -11.314   6.628  -8.282
  281    HG   LEU  39           HG       LEU  39 -11.277   3.888  -9.586
  282   HD11  LEU  39          1HD1      LEU  39 -11.943   4.783  -6.874
  283   HD12  LEU  39          2HD1      LEU  39 -11.677   3.150  -7.485
  284   HD13  LEU  39          3HD1      LEU  39 -13.259   3.909  -7.655
  285   HD21  LEU  39          3HD2      LEU  39 -12.858   5.030 -10.827
  286   HD22  LEU  39          1HD2      LEU  39 -13.201   6.181  -9.536
  287   HD23  LEU  39          2HD2      LEU  39 -13.869   4.553  -9.464
  288    H    TYR  40           H        TYR  40  -7.811   6.459  -9.463
  289    HA   TYR  40           HA       TYR  40  -7.547   8.995  -8.411
  290    HB2  TYR  40           2HB      TYR  40  -5.746   7.344  -8.319
  291    HB3  TYR  40           1HB      TYR  40  -5.519   7.471 -10.063
  292    HD1  TYR  40           1HD      TYR  40  -5.773   9.758  -7.088
  293    HD2  TYR  40           2HD      TYR  40  -3.798   8.860 -10.796
  294    HE1  TYR  40           1HE      TYR  40  -4.252  11.686  -6.746
  295    HE2  TYR  40           2HE      TYR  40  -2.279  10.788 -10.454
  296    HH   TYR  40           HH       TYR  40  -1.776  12.249  -7.618
  297    H    GLU  41           H        GLU  41  -6.847   8.066 -11.786
  298    HA   GLU  41           HA       GLU  41  -6.272  10.532 -12.851
  299    HB2  GLU  41           2HB      GLU  41  -8.070   8.703 -14.396
  300    HB3  GLU  41           1HB      GLU  41  -6.649   9.596 -14.937
  301    HG2  GLU  41           2HG      GLU  41  -5.363   8.057 -13.254
  302    HG3  GLU  41           1HG      GLU  41  -6.785   7.023 -13.387
  303    H    ASP  42           H        ASP  42  -9.379   9.274 -11.852
  304    HA   ASP  42           HA       ASP  42 -10.818  11.520 -13.048
  305    HB2  ASP  42           2HB      ASP  42 -11.520   8.889 -11.912
  306    HB3  ASP  42           1HB      ASP  42 -12.664  10.183 -11.556
  307    H    SER  43           H        SER  43  -9.347  10.639 -10.082
  308    HA   SER  43           HA       SER  43  -9.029  11.925  -8.182
  309    HB2  SER  43           2HB      SER  43 -11.172  13.866  -8.883
  310    HB3  SER  43           1HB      SER  43  -9.589  14.148  -8.166
  311    HG   SER  43           HG       SER  43  -8.670  14.047 -10.133
  312    H    GLN  44           H        GLN  44 -11.537  10.139  -9.062
  313    HA   GLN  44           HA       GLN  44 -13.395  10.786  -6.919
  314    HB2  GLN  44           2HB      GLN  44 -13.327   8.526  -8.932
  315    HB3  GLN  44           1HB      GLN  44 -14.616   8.775  -7.755
  316    HG2  GLN  44           2HG      GLN  44 -13.835  11.084  -9.482
  317    HG3  GLN  44           1HG      GLN  44 -14.778   9.786 -10.214
  318   HE21  GLN  44          1HE2      GLN  44 -16.658   9.050  -8.479
  319   HE22  GLN  44          2HE2      GLN  44 -17.568  10.359  -7.897
  320    H    PHE  45           H        PHE  45 -10.557   9.920  -6.421
  321    HA   PHE  45           HA       PHE  45 -10.520   7.292  -5.389
  322    HB2  PHE  45           2HB      PHE  45  -8.727   9.502  -5.546
  323    HB3  PHE  45           1HB      PHE  45  -8.750   8.925  -3.880
  324    HD1  PHE  45           2HD      PHE  45  -8.921   7.396  -7.301
  325    HD2  PHE  45           1HD      PHE  45  -7.154   7.297  -3.389
  326    HE1  PHE  45           2HE      PHE  45  -7.554   5.436  -7.969
  327    HE2  PHE  45           1HE      PHE  45  -5.787   5.342  -4.056
  328    HZ   PHE  45           HZ       PHE  45  -5.986   4.408  -6.345
  329    HA   PRO  46           HA       PRO  46 -11.495   9.362  -1.158
  330    HB2  PRO  46           2HB      PRO  46 -13.310  11.549  -1.945
  331    HB3  PRO  46           1HB      PRO  46 -11.952  11.573  -0.807
  332    HG2  PRO  46           2HG      PRO  46 -11.879  12.783  -3.223
  333    HG3  PRO  46           1HG      PRO  46 -10.443  12.135  -2.412
  334    HD2  PRO  46           2HD      PRO  46 -11.973  11.008  -4.718
  335    HD3  PRO  46           1HD      PRO  46 -10.236  10.896  -4.351
  336    H    ILE  47           H        ILE  47 -12.807   7.773  -0.567
  337    HA   ILE  47           HA       ILE  47 -15.656   7.936  -0.911
  338    HB   ILE  47           HB       ILE  47 -15.752   5.583  -1.957
  339   HG12  ILE  47          2HG1      ILE  47 -13.252   6.072  -3.399
  340   HG13  ILE  47          1HG1      ILE  47 -13.001   5.760  -1.680
  341   HG21  ILE  47          1HG2      ILE  47 -14.600   7.516  -3.942
  342   HG22  ILE  47          2HG2      ILE  47 -16.116   7.926  -3.138
  343   HG23  ILE  47          3HG2      ILE  47 -15.996   6.455  -4.098
  344   HD11  ILE  47          3HD1      ILE  47 -13.043   3.697  -3.181
  345   HD12  ILE  47          1HD1      ILE  47 -14.760   4.018  -3.419
  346   HD13  ILE  47          2HD1      ILE  47 -14.146   3.660  -1.805
  347    H    ASN  48           H        ASN  48 -16.632   5.746  -0.025
  348    HA   ASN  48           HA       ASN  48 -15.677   5.439   2.621
  349    HB2  ASN  48           2HB      ASN  48 -17.265   3.487   2.690
  350    HB3  ASN  48           1HB      ASN  48 -17.996   5.001   2.160
  351   HD21  ASN  48          1HD2      ASN  48 -16.002   3.932  -0.328
  352   HD22  ASN  48          2HD2      ASN  48 -17.163   3.108  -1.253
  353    H    ILE  49           H        ILE  49 -13.481   4.894   2.512
  354    HA   ILE  49           HA       ILE  49 -12.297   2.908   0.993
  355    HB   ILE  49           HB       ILE  49 -11.613   3.802   3.801
  356   HG12  ILE  49          2HG1      ILE  49 -10.384   4.561   1.133
  357   HG13  ILE  49          1HG1      ILE  49 -11.624   5.522   1.938
  358   HG21  ILE  49          1HG2      ILE  49 -10.455   1.770   2.006
  359   HG22  ILE  49          2HG2      ILE  49 -10.234   1.994   3.741
  360   HG23  ILE  49          3HG2      ILE  49  -9.287   2.949   2.601
  361   HD11  ILE  49          3HD1      ILE  49  -8.847   4.876   2.956
  362   HD12  ILE  49          1HD1      ILE  49 -10.104   5.586   3.970
  363   HD13  ILE  49          2HD1      ILE  49  -9.505   6.465   2.565
  364    H    VAL  50           H        VAL  50 -13.163   2.516   4.429
  365    HA   VAL  50           HA       VAL  50 -12.774  -0.095   4.848
  366    HB   VAL  50           HB       VAL  50 -15.274   1.408   5.641
  367   HG11  VAL  50          1HG1      VAL  50 -14.763  -0.362   7.641
  368   HG12  VAL  50          2HG1      VAL  50 -14.227  -1.299   6.246
  369   HG13  VAL  50          3HG1      VAL  50 -15.880  -0.689   6.317
  370   HG21  VAL  50          3HG2      VAL  50 -12.524   1.089   6.872
  371   HG22  VAL  50          1HG2      VAL  50 -13.921   1.651   7.793
  372   HG23  VAL  50          2HG2      VAL  50 -13.335   2.588   6.418
  373    H    ALA  51           H        ALA  51 -15.604   1.170   3.102
  374    HA   ALA  51           HA       ALA  51 -16.990  -1.232   2.793
  375    HB1  ALA  51           1HB      ALA  51 -16.934   1.010   0.776
  376    HB2  ALA  51           2HB      ALA  51 -17.847   1.070   2.285
  377    HB3  ALA  51           3HB      ALA  51 -18.233  -0.147   1.068
  378    H    VAL  52           H        VAL  52 -14.137  -0.145   1.092
  379    HA   VAL  52           HA       VAL  52 -14.549  -2.058  -1.062
  380    HB   VAL  52           HB       VAL  52 -12.762  -1.097  -2.161
  381   HG11  VAL  52          1HG1      VAL  52 -13.332   1.112  -2.229
  382   HG12  VAL  52          2HG1      VAL  52 -13.171   1.319  -0.487
  383   HG13  VAL  52          3HG1      VAL  52 -14.626   0.583  -1.159
  384   HG21  VAL  52          3HG2      VAL  52 -11.675  -0.496   0.591
  385   HG22  VAL  52          1HG2      VAL  52 -11.032   0.305  -0.834
  386   HG23  VAL  52          2HG2      VAL  52 -10.942  -1.447  -0.690
  387    H    LYS  53           H        LYS  53 -12.519  -1.709   1.805
  388    HA   LYS  53           HA       LYS  53 -10.712  -3.754   1.501
  389    HB2  LYS  53           2HB      LYS  53 -12.268  -3.240   4.041
  390    HB3  LYS  53           1HB      LYS  53 -10.653  -3.935   3.903
  391    HG2  LYS  53           2HG      LYS  53  -9.885  -1.790   2.842
  392    HG3  LYS  53           1HG      LYS  53 -11.477  -1.111   3.171
  393    HD2  LYS  53           2HD      LYS  53  -9.974  -0.450   4.963
  394    HD3  LYS  53           1HD      LYS  53 -11.143  -1.604   5.601
  395    HE2  LYS  53           2HE      LYS  53  -8.598  -2.725   4.516
  396    HE3  LYS  53           1HE      LYS  53  -8.506  -1.852   6.044
  397    HZ1  LYS  53           3HZ      LYS  53  -9.669  -4.412   5.467
  398    HZ2  LYS  53           1HZ      LYS  53 -10.709  -3.397   6.343
  399    HZ3  LYS  53           2HZ      LYS  53  -9.164  -3.756   6.952
  400    H    ASN  54           H        ASN  54 -14.103  -3.979   1.575
  401    HA   ASN  54           HA       ASN  54 -14.112  -6.818   2.298
  402    HB2  ASN  54           2HB      ASN  54 -16.205  -4.697   1.955
  403    HB3  ASN  54           1HB      ASN  54 -16.664  -6.396   1.821
  404   HD21  ASN  54          1HD2      ASN  54 -14.798  -4.231   4.028
  405   HD22  ASN  54          2HD2      ASN  54 -15.284  -5.026   5.447
  406    H    ASP  55           H        ASP  55 -14.763  -4.655  -0.403
  407    HA   ASP  55           HA       ASP  55 -15.339  -6.921  -2.171
  408    HB2  ASP  55           2HB      ASP  55 -15.208  -4.214  -3.326
  409    HB3  ASP  55           1HB      ASP  55 -16.448  -5.455  -3.492
  410    H    HIS  56           H        HIS  56 -13.271  -4.011  -2.408
  411    HA   HIS  56           HA       HIS  56 -11.656  -5.087  -4.479
  412    HB2  HIS  56           2HB      HIS  56 -11.152  -2.800  -2.572
  413    HB3  HIS  56           1HB      HIS  56 -10.166  -3.159  -3.989
  414    HD2  HIS  56           2HD      HIS  56 -10.991  -1.413  -5.955
  415    HE1  HIS  56           1HE      HIS  56 -15.145  -1.605  -5.238
  416    HE2  HIS  56           2HE      HIS  56 -13.350  -0.613  -6.734
  417    H    ASP  57           H        ASP  57 -11.830  -6.887  -2.199
  418    HA   ASP  57           HA       ASP  57  -9.018  -6.927  -1.297
  419    HB2  ASP  57           2HB      ASP  57  -9.954  -8.568   0.430
  420    HB3  ASP  57           1HB      ASP  57 -10.394  -6.873   0.616
  421    H    PHE  58           H        PHE  58 -10.990  -9.716  -0.935
  422    HA   PHE  58           HA       PHE  58 -10.547 -11.893  -1.615
  423    HB2  PHE  58           2HB      PHE  58 -10.708 -10.597  -4.341
  424    HB3  PHE  58           1HB      PHE  58 -11.142 -12.251  -3.912
  425    HD1  PHE  58           1HD      PHE  58 -12.838 -12.314  -1.760
  426    HD2  PHE  58           2HD      PHE  58 -12.505  -9.143  -4.639
  427    HE1  PHE  58           1HE      PHE  58 -15.143 -11.580  -1.218
  428    HE2  PHE  58           2HE      PHE  58 -14.810  -8.410  -4.097
  429    HZ   PHE  58           HZ       PHE  58 -16.129  -9.627  -2.386
  430    H    LEU  59           H        LEU  59  -8.180 -10.942  -0.846
  431    HA   LEU  59           HA       LEU  59  -6.335 -12.370  -2.492
  432    HB2  LEU  59           2HB      LEU  59  -6.770  -9.775  -3.318
  433    HB3  LEU  59           1HB      LEU  59  -5.339  -9.611  -2.312
  434    HG   LEU  59           HG       LEU  59  -5.668 -11.601  -4.581
  435   HD11  LEU  59          1HD1      LEU  59  -4.952  -9.965  -5.945
  436   HD12  LEU  59          2HD1      LEU  59  -3.531  -9.723  -4.929
  437   HD13  LEU  59          3HD1      LEU  59  -5.015  -8.832  -4.595
  438   HD21  LEU  59          3HD2      LEU  59  -4.114 -12.621  -3.171
  439   HD22  LEU  59          1HD2      LEU  59  -3.533 -11.084  -2.530
  440   HD23  LEU  59          2HD2      LEU  59  -3.055 -11.603  -4.145
  441    H    GLU  60           H        GLU  60  -7.034 -12.752   0.072
  442    HA   GLU  60           HA       GLU  60  -6.128 -13.144   2.144
  443    HB2  GLU  60           2HB      GLU  60  -3.525 -11.983   1.183
  444    HB3  GLU  60           1HB      GLU  60  -3.796 -13.275   2.352
  445    HG2  GLU  60           2HG      GLU  60  -4.930 -14.480   0.294
  446    HG3  GLU  60           1HG      GLU  60  -3.925 -13.374  -0.641
  447    H    LYS  61           H        LYS  61  -5.341 -12.016   4.078
  448    HA   LYS  61           HA       LYS  61  -6.342  -9.317   4.156
  449    HB2  LYS  61           2HB      LYS  61  -6.752 -10.715   6.067
  450    HB3  LYS  61           1HB      LYS  61  -5.033 -11.071   6.244
  451    HG2  LYS  61           2HG      LYS  61  -4.534  -8.937   7.045
  452    HG3  LYS  61           1HG      LYS  61  -5.963  -8.216   6.307
  453    HD2  LYS  61           2HD      LYS  61  -6.451 -10.320   8.353
  454    HD3  LYS  61           1HD      LYS  61  -5.822  -8.781   8.940
  455    HE2  LYS  61           2HE      LYS  61  -8.392  -9.033   8.771
  456    HE3  LYS  61           1HE      LYS  61  -7.668  -7.569   8.105
  457    HZ1  LYS  61           3HZ      LYS  61  -9.261  -8.562   6.577
  458    HZ2  LYS  61           1HZ      LYS  61  -8.367 -10.003   6.554
  459    HZ3  LYS  61           2HZ      LYS  61  -7.695  -8.578   5.919
  460    H    ASP  62           H        ASP  62  -3.362 -10.687   3.382
  461    HA   ASP  62           HA       ASP  62  -1.593  -8.746   4.492
  462    HB2  ASP  62           2HB      ASP  62  -0.562 -10.750   3.822
  463    HB3  ASP  62           1HB      ASP  62  -1.376 -10.754   2.259
  464    H    LEU  63           H        LEU  63  -3.617  -8.867   1.665
  465    HA   LEU  63           HA       LEU  63  -2.337  -6.538   0.459
  466    HB2  LEU  63           2HB      LEU  63  -4.466  -8.471  -0.371
  467    HB3  LEU  63           1HB      LEU  63  -4.391  -6.899  -1.159
  468    HG   LEU  63           HG       LEU  63  -3.073  -8.705  -2.331
  469   HD11  LEU  63          1HD1      LEU  63  -0.970  -6.825  -1.422
  470   HD12  LEU  63          2HD1      LEU  63  -2.439  -6.067  -2.032
  471   HD13  LEU  63          3HD1      LEU  63  -1.535  -7.180  -3.053
  472   HD21  LEU  63          3HD2      LEU  63  -1.187  -9.690  -1.331
  473   HD22  LEU  63          1HD2      LEU  63  -2.365  -9.666  -0.019
  474   HD23  LEU  63          2HD2      LEU  63  -1.088  -8.451  -0.080
  475    H    VAL  64           H        VAL  64  -5.124  -7.385   2.363
  476    HA   VAL  64           HA       VAL  64  -6.711  -5.094   1.876
  477    HB   VAL  64           HB       VAL  64  -6.574  -6.825   4.356
  478   HG11  VAL  64          1HG1      VAL  64  -9.038  -6.031   4.441
  479   HG12  VAL  64          2HG1      VAL  64  -8.520  -4.753   3.341
  480   HG13  VAL  64          3HG1      VAL  64  -7.793  -4.888   4.943
  481   HG21  VAL  64          3HG2      VAL  64  -8.340  -8.119   3.328
  482   HG22  VAL  64          1HG2      VAL  64  -7.015  -8.014   2.170
  483   HG23  VAL  64          2HG2      VAL  64  -8.441  -6.994   1.973
  484    H    GLU  65           H        GLU  65  -4.267  -5.798   4.364
  485    HA   GLU  65           HA       GLU  65  -4.547  -3.485   5.887
  486    HB2  GLU  65           2HB      GLU  65  -2.496  -5.539   5.523
  487    HB3  GLU  65           1HB      GLU  65  -1.833  -3.963   5.965
  488    HG2  GLU  65           2HG      GLU  65  -2.413  -5.338   7.957
  489    HG3  GLU  65           1HG      GLU  65  -3.325  -3.832   7.889
  490    HA   PRO  66           HA       PRO  66  -1.255  -1.217   3.210
  491    HB2  PRO  66           2HB      PRO  66  -0.720  -2.324   0.729
  492    HB3  PRO  66           1HB      PRO  66   0.280  -2.561   2.176
  493    HG2  PRO  66           2HG      PRO  66  -1.756  -4.347   0.965
  494    HG3  PRO  66           1HG      PRO  66  -0.219  -4.751   1.745
  495    HD2  PRO  66           2HD      PRO  66  -2.607  -5.067   2.994
  496    HD3  PRO  66           1HD      PRO  66  -1.119  -4.662   3.872
  497    H    LEU  67           H        LEU  67  -3.915  -2.912   1.652
  498    HA   LEU  67           HA       LEU  67  -4.441  -1.133  -0.451
  499    HB2  LEU  67           2HB      LEU  67  -5.551  -3.285  -0.334
  500    HB3  LEU  67           1HB      LEU  67  -6.341  -2.845   1.177
  501    HG   LEU  67           HG       LEU  67  -7.607  -1.084   0.033
  502   HD11  LEU  67          1HD1      LEU  67  -7.416  -1.216  -2.585
  503   HD12  LEU  67          2HD1      LEU  67  -5.817  -1.874  -2.246
  504   HD13  LEU  67          3HD1      LEU  67  -6.244  -0.261  -1.677
  505   HD21  LEU  67          3HD2      LEU  67  -8.415  -2.907  -1.927
  506   HD22  LEU  67          1HD2      LEU  67  -9.058  -2.778  -0.290
  507   HD23  LEU  67          2HD2      LEU  67  -7.758  -3.915  -0.639
  508    H    CYS  68           H        CYS  68  -5.683  -1.168   2.886
  509    HA   CYS  68           HA       CYS  68  -7.176   1.259   2.569
  510    HB2  CYS  68           2HB      CYS  68  -7.655  -0.534   4.278
  511    HB3  CYS  68           1HB      CYS  68  -6.223   0.012   5.154
  512    HG   CYS  68           HG       CYS  68  -8.616   1.951   4.585
  513    H    ARG  69           H        ARG  69  -3.883   0.586   2.931
  514    HA   ARG  69           HA       ARG  69  -3.182   2.978   4.403
  515    HB2  ARG  69           2HB      ARG  69  -1.876   0.793   4.422
  516    HB3  ARG  69           1HB      ARG  69  -1.324   1.219   2.801
  517    HG2  ARG  69           2HG      ARG  69  -0.609   3.468   3.811
  518    HG3  ARG  69           1HG      ARG  69  -0.834   2.701   5.384
  519    HD2  ARG  69           2HD      ARG  69   1.475   2.408   4.814
  520    HD3  ARG  69           1HD      ARG  69   0.695   0.846   4.581
  521    HE   ARG  69           HE       ARG  69   0.846   2.535   2.211
  522   HH11  ARG  69          1HH2      ARG  69   2.240   0.024   4.144
  523   HH12  ARG  69          2HH2      ARG  69   3.166  -0.649   2.846
  524   HH21  ARG  69          1HH1      ARG  69   2.058   1.657   0.505
  525   HH22  ARG  69          2HH1      ARG  69   3.063   0.275   0.785
  526    H    ARG  70           H        ARG  70  -2.827   1.846   1.038
  527    HA   ARG  70           HA       ARG  70  -1.679   4.270   0.089
  528    HB2  ARG  70           2HB      ARG  70  -3.193   2.172  -1.482
  529    HB3  ARG  70           1HB      ARG  70  -2.083   3.371  -2.136
  530    HG2  ARG  70           2HG      ARG  70  -1.349   1.185  -0.172
  531    HG3  ARG  70           1HG      ARG  70  -0.971   1.185  -1.891
  532    HD2  ARG  70           2HD      ARG  70   0.091   3.560  -1.264
  533    HD3  ARG  70           1HD      ARG  70   0.225   2.796   0.317
  534    HE   ARG  70           HE       ARG  70   1.246   0.910  -1.345
  535   HH11  ARG  70          1HH2      ARG  70   1.785   4.302  -0.938
  536   HH12  ARG  70          2HH2      ARG  70   3.448   4.236  -1.418
  537   HH21  ARG  70          1HH1      ARG  70   3.424   0.814  -1.973
  538   HH22  ARG  70          2HH1      ARG  70   4.376   2.261  -2.005
  539    H    LEU  71           H        LEU  71  -4.949   2.930  -0.486
  540    HA   LEU  71           HA       LEU  71  -6.148   5.000  -1.772
  541    HB2  LEU  71           2HB      LEU  71  -7.371   3.459   0.524
  542    HB3  LEU  71           1HB      LEU  71  -8.261   4.335  -0.718
  543    HG   LEU  71           HG       LEU  71  -6.319   2.090  -1.331
  544   HD11  LEU  71          1HD1      LEU  71  -8.130   1.192   0.022
  545   HD12  LEU  71          2HD1      LEU  71  -8.374   0.706  -1.655
  546   HD13  LEU  71          3HD1      LEU  71  -9.325   2.022  -0.971
  547   HD21  LEU  71          3HD2      LEU  71  -8.291   3.717  -2.929
  548   HD22  LEU  71          1HD2      LEU  71  -7.888   2.078  -3.434
  549   HD23  LEU  71          2HD2      LEU  71  -6.624   3.298  -3.316
  550    H    ASN  72           H        ASN  72  -5.713   4.747   1.748
  551    HA   ASN  72           HA       ASN  72  -6.971   7.144   2.468
  552    HB2  ASN  72           2HB      ASN  72  -6.206   5.316   4.026
  553    HB3  ASN  72           1HB      ASN  72  -4.565   5.933   3.839
  554   HD21  ASN  72          1HD2      ASN  72  -4.671   8.596   4.062
  555   HD22  ASN  72          2HD2      ASN  72  -5.464   9.101   5.475
  556    H    THR  73           H        THR  73  -3.721   6.500   1.283
  557    HA   THR  73           HA       THR  73  -2.654   9.077   1.873
  558    HB   THR  73           HB       THR  73  -1.763   7.158  -0.291
  559    HG1  THR  73           1HG      THR  73  -1.667   6.027   1.562
  560   HG21  THR  73          3HG2      THR  73   0.320   8.610   1.043
  561   HG22  THR  73          1HG2      THR  73  -0.899   9.751   0.476
  562   HG23  THR  73          2HG2      THR  73  -0.127   8.649  -0.662
  563    H    LEU  74           H        LEU  74  -3.741   7.637  -1.215
  564    HA   LEU  74           HA       LEU  74  -3.574  10.049  -2.679
  565    HB2  LEU  74           2HB      LEU  74  -4.830   7.379  -3.099
  566    HB3  LEU  74           1HB      LEU  74  -5.390   8.705  -4.114
  567    HG   LEU  74           HG       LEU  74  -2.474   7.952  -3.754
  568   HD11  LEU  74          1HD1      LEU  74  -4.344   7.353  -6.064
  569   HD12  LEU  74          2HD1      LEU  74  -3.772   6.167  -4.892
  570   HD13  LEU  74          3HD1      LEU  74  -2.630   6.948  -5.984
  571   HD21  LEU  74          3HD2      LEU  74  -2.140   9.964  -4.724
  572   HD22  LEU  74          1HD2      LEU  74  -3.864  10.188  -5.002
  573   HD23  LEU  74          2HD2      LEU  74  -2.890   9.306  -6.176
  574    H    ASN  75           H        ASN  75  -6.357   8.407  -1.171
  575    HA   ASN  75           HA       ASN  75  -8.413  10.074  -1.867
  576    HB2  ASN  75           2HB      ASN  75  -7.854   8.803   0.820
  577    HB3  ASN  75           1HB      ASN  75  -9.385   9.567   0.398
  578   HD21  ASN  75          1HD2      ASN  75  -8.686   6.641   0.932
  579   HD22  ASN  75          2HD2      ASN  75  -9.261   5.821  -0.435
  580    H    LYS  76           H        LYS  76  -5.684  10.795   0.117
  581    HA   LYS  76           HA       LYS  76  -6.881  13.252   1.167
  582    HB2  LYS  76           2HB      LYS  76  -5.167  11.510   2.312
  583    HB3  LYS  76           1HB      LYS  76  -4.013  12.654   1.623
  584    HG2  LYS  76           2HG      LYS  76  -5.349  14.512   2.694
  585    HG3  LYS  76           1HG      LYS  76  -6.285  13.272   3.530
  586    HD2  LYS  76           2HD      LYS  76  -3.282  13.662   3.722
  587    HD3  LYS  76           1HD      LYS  76  -4.459  14.073   4.969
  588    HE2  LYS  76           2HE      LYS  76  -3.814  11.971   5.702
  589    HE3  LYS  76           1HE      LYS  76  -5.168  11.532   4.661
  590    HZ1  LYS  76           3HZ      LYS  76  -3.429  10.145   4.006
  591    HZ2  LYS  76           1HZ      LYS  76  -2.276  11.386   4.071
  592    HZ3  LYS  76           2HZ      LYS  76  -3.437  11.373   2.832
  593    H    CYS  77           H        CYS  77  -4.632  12.142  -1.252
  594    HA   CYS  77           HA       CYS  77  -3.733  14.871  -1.831
  595    HB2  CYS  77           2HB      CYS  77  -2.606  12.259  -2.136
  596    HB3  CYS  77           1HB      CYS  77  -2.713  13.017  -3.725
  597    HG   CYS  77           HG       CYS  77  -0.532  13.674  -2.041
  598    H    ALA  78           H        ALA  78  -6.220  12.804  -2.707
  599    HA   ALA  78           HA       ALA  78  -6.418  13.352  -5.496
  600    HB1  ALA  78           1HB      ALA  78  -8.323  12.310  -3.414
  601    HB2  ALA  78           2HB      ALA  78  -7.621  11.465  -4.795
  602    HB3  ALA  78           3HB      ALA  78  -8.880  12.676  -5.048
  603    H    SER  79           H        SER  79  -7.855  14.813  -2.601
  604    HA   SER  79           HA       SER  79  -9.500  16.674  -3.973
  605    HB2  SER  79           2HB      SER  79 -10.220  16.730  -1.836
  606    HB3  SER  79           1HB      SER  79  -8.679  16.148  -1.214
  607    HG   SER  79           HG       SER  79  -8.709  18.181  -0.511
  608    H    MET  80           H        MET  80  -6.133  16.665  -3.044
  609    HA   MET  80           HA       MET  80  -5.606  19.430  -3.246
  610    HB2  MET  80           2HB      MET  80  -4.095  16.999  -2.934
  611    HB3  MET  80           1HB      MET  80  -3.313  18.041  -4.124
  612    HG2  MET  80           2HG      MET  80  -3.314  19.907  -2.559
  613    HG3  MET  80           1HG      MET  80  -4.225  18.960  -1.382
  614    HE1  MET  80           3HE      MET  80  -2.930  18.822   0.585
  615    HE2  MET  80           1HE      MET  80  -1.923  20.131  -0.049
  616    HE3  MET  80           2HE      MET  80  -1.174  18.721   0.698
  617    H    LYS  81           H        LYS  81  -4.488  16.999  -5.594
  618    HA   LYS  81           HA       LYS  81  -4.422  18.968  -7.697
  619    HB2  LYS  81           2HB      LYS  81  -2.764  17.094  -7.484
  620    HB3  LYS  81           1HB      LYS  81  -4.055  15.970  -7.895
  621    HG2  LYS  81           2HG      LYS  81  -2.800  16.495  -9.915
  622    HG3  LYS  81           1HG      LYS  81  -4.406  17.208 -10.037
  623    HD2  LYS  81           2HD      LYS  81  -3.604  19.342  -9.978
  624    HD3  LYS  81           1HD      LYS  81  -2.350  18.950  -8.803
  625    HE2  LYS  81           2HE      LYS  81  -2.214  18.032 -11.680
  626    HE3  LYS  81           1HE      LYS  81  -1.530  19.567 -11.142
  627    HZ1  LYS  81           3HZ      LYS  81   0.087  18.541  -9.951
  628    HZ2  LYS  81           1HZ      LYS  81  -0.131  17.354 -11.144
  629    HZ3  LYS  81           2HZ      LYS  81  -0.853  17.166  -9.618
  Start of MODEL    6
    1    H1   MET   1           1HT      MET   1   5.229 -26.308  10.224
    2    H2   MET   1           2HT      MET   1   4.001 -25.143  10.076
    3    H3   MET   1           3HT      MET   1   4.526 -26.006   8.710
    4    HA   MET   1           HA       MET   1   3.018 -27.563   9.068
    5    HB2  MET   1           2HB      MET   1   4.406 -27.703  11.755
    6    HB3  MET   1           1HB      MET   1   3.123 -28.818  11.285
    7    HG2  MET   1           2HG      MET   1   4.402 -29.640   9.425
    8    HG3  MET   1           1HG      MET   1   5.606 -28.366   9.614
    9    HE1  MET   1           2HE      MET   1   7.565 -29.961   9.610
   10    HE2  MET   1           3HE      MET   1   6.456 -31.299   9.319
   11    HE3  MET   1           1HE      MET   1   7.694 -31.429  10.578
   12    H    HIS   2           H        HIS   2   3.213 -24.907  11.258
   13    HA   HIS   2           HA       HIS   2   0.352 -24.620  11.306
   14    HB2  HIS   2           2HB      HIS   2  -0.004 -24.853  13.673
   15    HB3  HIS   2           1HB      HIS   2   0.768 -26.333  13.104
   16    HD2  HIS   2           2HD      HIS   2   1.307 -23.782  15.848
   17    HE1  HIS   2           1HE      HIS   2   5.103 -25.509  15.184
   18    HE2  HIS   2           2HE      HIS   2   3.742 -24.050  16.754
   19    H    HIS   3           H        HIS   3   2.309 -22.963  10.318
   20    HA   HIS   3           HA       HIS   3   3.121 -20.971  12.213
   21    HB2  HIS   3           2HB      HIS   3   3.492 -21.512   9.390
   22    HB3  HIS   3           1HB      HIS   3   3.140 -19.806   9.668
   23    HD2  HIS   3           2HD      HIS   3   6.225 -21.827   9.512
   24    HE1  HIS   3           1HE      HIS   3   7.029 -19.070  12.607
   25    HE2  HIS   3           2HE      HIS   3   8.069 -20.763  11.024
   26    H    HIS   4           H        HIS   4   2.524 -18.578  11.581
   27    HA   HIS   4           HA       HIS   4  -0.278 -18.255  10.846
   28    HB2  HIS   4           2HB      HIS   4  -0.336 -18.760  13.279
   29    HB3  HIS   4           1HB      HIS   4   0.728 -17.383  13.566
   30    HD2  HIS   4           2HD      HIS   4  -2.865 -17.880  11.892
   31    HE1  HIS   4           1HE      HIS   4  -2.661 -14.054  13.667
   32    HE2  HIS   4           2HE      HIS   4  -4.164 -15.678  12.419
   33    H    HIS   5           H        HIS   5  -0.345 -16.559   9.533
   34    HA   HIS   5           HA       HIS   5   1.797 -14.566   9.628
   35    HB2  HIS   5           2HB      HIS   5  -0.463 -14.641   7.637
   36    HB3  HIS   5           1HB      HIS   5   1.151 -13.953   7.446
   37    HD2  HIS   5           2HD      HIS   5   2.537 -16.893   8.722
   38    HE1  HIS   5           1HE      HIS   5   1.089 -18.382   5.046
   39    HE2  HIS   5           2HE      HIS   5   2.667 -18.837   6.985
   40    H    HIS   6           H        HIS   6   1.501 -12.440  10.121
   41    HA   HIS   6           HA       HIS   6  -0.996 -11.117  10.239
   42    HB2  HIS   6           2HB      HIS   6  -1.055 -10.872  12.770
   43    HB3  HIS   6           1HB      HIS   6  -1.547 -12.444  12.139
   44    HD2  HIS   6           2HD      HIS   6   1.255 -10.922  14.369
   45    HE1  HIS   6           1HE      HIS   6   2.117 -15.027  13.893
   46    HE2  HIS   6           2HE      HIS   6   2.753 -12.913  15.149
   47    H    HIS   7           H        HIS   7   0.722  -9.887   9.037
   48    HA   HIS   7           HA       HIS   7   2.674  -8.496  10.694
   49    HB2  HIS   7           2HB      HIS   7   2.082  -7.861   7.815
   50    HB3  HIS   7           1HB      HIS   7   3.602  -7.702   8.694
   51    HD2  HIS   7           2HD      HIS   7   1.340 -10.696   7.359
   52    HE1  HIS   7           1HE      HIS   7   5.332 -12.027   7.720
   53    HE2  HIS   7           2HE      HIS   7   2.996 -12.678   6.967
   54    H    SER   8           H        SER   8   2.036  -6.817  11.876
   55    HA   SER   8           HA       SER   8  -0.226  -5.178  10.952
   56    HB2  SER   8           2HB      SER   8  -0.771  -5.457  13.127
   57    HB3  SER   8           1HB      SER   8   0.863  -5.949  13.565
   58    HG   SER   8           HG       SER   8   0.230  -3.273  12.913
   59    H    SER   9           H        SER   9  -0.048  -3.007  10.565
   60    HA   SER   9           HA       SER   9   2.515  -1.669  11.025
   61    HB2  SER   9           2HB      SER   9   2.339  -2.800   8.659
   62    HB3  SER   9           1HB      SER   9   1.295  -1.428   8.297
   63    HG   SER   9           HG       SER   9   4.017  -1.540   8.760
   64    H    GLY  10           H        GLY  10   2.273   0.448  11.509
   65    HA2  GLY  10           2HA      GLY  10  -0.304   1.751  10.901
   66    HA3  GLY  10           1HA      GLY  10   0.318   1.763  12.549
   67    H    LEU  11           H        LEU  11   1.250   2.619   9.219
   68    HA   LEU  11           HA       LEU  11   2.970   4.757  10.302
   69    HB2  LEU  11           2HB      LEU  11   3.756   4.810   7.834
   70    HB3  LEU  11           1HB      LEU  11   4.266   3.455   8.843
   71    HG   LEU  11           HG       LEU  11   1.676   3.137   7.421
   72   HD11  LEU  11          1HD1      LEU  11   3.057   4.186   5.678
   73   HD12  LEU  11          2HD1      LEU  11   2.829   2.472   5.328
   74   HD13  LEU  11          3HD1      LEU  11   4.357   3.039   6.003
   75   HD21  LEU  11          3HD2      LEU  11   2.292   0.865   7.436
   76   HD22  LEU  11          1HD2      LEU  11   2.997   1.469   8.935
   77   HD23  LEU  11          2HD2      LEU  11   4.014   1.236   7.512
   78    H    VAL  12           H        VAL  12   2.352   6.814  10.123
   79    HA   VAL  12           HA       VAL  12   0.361   7.539   8.067
   80    HB   VAL  12           HB       VAL  12  -0.553   9.141   9.890
   81   HG11  VAL  12          1HG1      VAL  12  -0.982   6.182   9.631
   82   HG12  VAL  12          2HG1      VAL  12  -2.058   7.508   9.189
   83   HG13  VAL  12          3HG1      VAL  12  -1.853   7.065  10.884
   84   HG21  VAL  12          3HG2      VAL  12   1.312   8.646  11.488
   85   HG22  VAL  12          1HG2      VAL  12   0.711   6.994  11.624
   86   HG23  VAL  12          2HG2      VAL  12  -0.281   8.343  12.178
   87    HA   PRO  13           HA       PRO  13   3.926  10.509   8.249
   88    HB2  PRO  13           2HB      PRO  13   4.867  10.134   5.731
   89    HB3  PRO  13           1HB      PRO  13   5.348   9.107   7.093
   90    HG2  PRO  13           2HG      PRO  13   3.443   8.558   4.890
   91    HG3  PRO  13           1HG      PRO  13   4.536   7.457   5.745
   92    HD2  PRO  13           2HD      PRO  13   1.789   7.703   6.226
   93    HD3  PRO  13           1HD      PRO  13   2.965   6.960   7.333
   94    H    ARG  14           H        ARG  14   4.291  12.454   6.861
   95    HA   ARG  14           HA       ARG  14   2.049  13.132   5.087
   96    HB2  ARG  14           2HB      ARG  14   1.433  13.919   7.357
   97    HB3  ARG  14           1HB      ARG  14   2.916  14.871   7.410
   98    HG2  ARG  14           2HG      ARG  14   1.951  16.526   6.230
   99    HG3  ARG  14           1HG      ARG  14   1.504  15.400   4.948
  100    HD2  ARG  14           2HD      ARG  14  -0.051  15.748   7.523
  101    HD3  ARG  14           1HD      ARG  14  -0.462  16.541   6.005
  102    HE   ARG  14           HE       ARG  14  -0.232  13.737   5.604
  103   HH11  ARG  14          1HH2      ARG  14  -2.227  16.168   7.051
  104   HH12  ARG  14          2HH2      ARG  14  -3.692  15.259   6.888
  105   HH21  ARG  14          1HH1      ARG  14  -2.149  12.538   5.389
  106   HH22  ARG  14          2HH1      ARG  14  -3.648  13.203   5.947
  107    H    GLY  15           H        GLY  15   2.572  14.572   3.478
  108    HA2  GLY  15           2HA      GLY  15   3.956  16.357   2.590
  109    HA3  GLY  15           1HA      GLY  15   5.314  15.682   3.483
  110    H    SER  16           H        SER  16   5.125  13.005   2.863
  111    HA   SER  16           HA       SER  16   6.169  12.985   0.174
  112    HB2  SER  16           2HB      SER  16   5.602  10.528   1.808
  113    HB3  SER  16           1HB      SER  16   6.877  10.797   0.624
  114    HG   SER  16           HG       SER  16   6.649  11.700   3.275
  115    H    GLN  17           H        GLN  17   3.162  13.356   0.981
  116    HA   GLN  17           HA       GLN  17   1.605  11.271   0.050
  117    HB2  GLN  17           2HB      GLN  17   1.290  14.217   0.213
  118    HB3  GLN  17           1HB      GLN  17   0.185  13.372  -0.872
  119    HG2  GLN  17           2HG      GLN  17   0.672  12.495   1.984
  120    HG3  GLN  17           1HG      GLN  17  -0.620  13.606   1.530
  121   HE21  GLN  17          1HE2      GLN  17  -0.333  11.663  -1.119
  122   HE22  GLN  17          2HE2      GLN  17  -1.448  10.450  -0.711
  123    H    GLU  18           H        GLU  18   3.634  13.460  -1.734
  124    HA   GLU  18           HA       GLU  18   2.474  13.008  -4.309
  125    HB2  GLU  18           2HB      GLU  18   5.087  14.140  -3.341
  126    HB3  GLU  18           1HB      GLU  18   4.809  13.852  -5.059
  127    HG2  GLU  18           2HG      GLU  18   2.633  15.250  -3.601
  128    HG3  GLU  18           1HG      GLU  18   4.124  16.161  -3.826
  129    H    ILE  19           H        ILE  19   5.720  12.042  -3.182
  130    HA   ILE  19           HA       ILE  19   6.256  10.139  -5.100
  131    HB   ILE  19           HB       ILE  19   7.089  10.418  -2.229
  132   HG12  ILE  19          2HG1      ILE  19   9.284  10.784  -3.297
  133   HG13  ILE  19          1HG1      ILE  19   8.573  10.453  -4.877
  134   HG21  ILE  19          1HG2      ILE  19   7.127   8.067  -2.363
  135   HG22  ILE  19          2HG2      ILE  19   8.758   8.521  -2.856
  136   HG23  ILE  19          3HG2      ILE  19   7.560   8.079  -4.072
  137   HD11  ILE  19          3HD1      ILE  19   7.193  12.400  -4.774
  138   HD12  ILE  19          1HD1      ILE  19   8.796  12.921  -4.255
  139   HD13  ILE  19          2HD1      ILE  19   7.533  12.634  -3.058
  140    H    GLU  20           H        GLU  20   4.195   9.901  -2.288
  141    HA   GLU  20           HA       GLU  20   3.902   7.075  -2.268
  142    HB2  GLU  20           2HB      GLU  20   2.693   9.372  -0.928
  143    HB3  GLU  20           1HB      GLU  20   1.528   8.090  -1.265
  144    HG2  GLU  20           2HG      GLU  20   4.222   7.555   0.004
  145    HG3  GLU  20           1HG      GLU  20   2.773   7.892   0.952
  146    H    ALA  21           H        ALA  21   1.985   9.694  -3.723
  147    HA   ALA  21           HA       ALA  21  -0.135   8.301  -4.768
  148    HB1  ALA  21           1HB      ALA  21  -0.361  10.026  -6.391
  149    HB2  ALA  21           2HB      ALA  21   1.368  10.369  -6.372
  150    HB3  ALA  21           3HB      ALA  21   0.370  10.791  -4.981
  151    H    LYS  22           H        LYS  22   3.015   8.790  -6.372
  152    HA   LYS  22           HA       LYS  22   2.487   7.204  -8.627
  153    HB2  LYS  22           2HB      LYS  22   5.180   7.593  -7.308
  154    HB3  LYS  22           1HB      LYS  22   4.872   7.218  -9.002
  155    HG2  LYS  22           2HG      LYS  22   3.922   9.748  -7.615
  156    HG3  LYS  22           1HG      LYS  22   5.388   9.644  -8.587
  157    HD2  LYS  22           2HD      LYS  22   4.075  10.192 -10.345
  158    HD3  LYS  22           1HD      LYS  22   3.461   8.543 -10.258
  159    HE2  LYS  22           2HE      LYS  22   1.528   9.931 -10.196
  160    HE3  LYS  22           1HE      LYS  22   1.784   9.431  -8.526
  161    HZ1  LYS  22           3HZ      LYS  22   2.216  11.508  -7.900
  162    HZ2  LYS  22           1HZ      LYS  22   1.544  11.988  -9.382
  163    HZ3  LYS  22           2HZ      LYS  22   3.227  11.809  -9.233
  164    H    GLU  23           H        GLU  23   3.299   6.341  -5.367
  165    HA   GLU  23           HA       GLU  23   4.016   3.605  -6.084
  166    HB2  GLU  23           2HB      GLU  23   3.759   5.007  -3.414
  167    HB3  GLU  23           1HB      GLU  23   4.247   3.324  -3.609
  168    HG2  GLU  23           2HG      GLU  23   5.674   5.534  -5.079
  169    HG3  GLU  23           1HG      GLU  23   6.117   5.111  -3.426
  170    H    ALA  24           H        ALA  24   1.705   5.016  -3.779
  171    HA   ALA  24           HA       ALA  24   0.090   2.956  -3.195
  172    HB1  ALA  24           1HB      ALA  24  -0.730   4.827  -2.190
  173    HB2  ALA  24           2HB      ALA  24  -1.818   4.843  -3.577
  174    HB3  ALA  24           3HB      ALA  24  -0.372   5.851  -3.580
  175    H    CYS  25           H        CYS  25  -0.268   4.918  -6.158
  176    HA   CYS  25           HA       CYS  25  -2.385   3.291  -7.190
  177    HB2  CYS  25           2HB      CYS  25  -2.608   5.177  -8.379
  178    HB3  CYS  25           1HB      CYS  25  -0.984   5.711  -7.950
  179    HG   CYS  25           HG       CYS  25  -1.621   4.850 -10.637
  180    H    ASP  26           H        ASP  26   1.118   3.355  -7.571
  181    HA   ASP  26           HA       ASP  26   1.097   1.425  -9.728
  182    HB2  ASP  26           2HB      ASP  26   2.887   3.079  -9.605
  183    HB3  ASP  26           1HB      ASP  26   3.364   2.469  -8.022
  184    H    TRP  27           H        TRP  27   0.793   1.306  -6.374
  185    HA   TRP  27           HA       TRP  27   1.982  -1.346  -6.088
  186    HB2  TRP  27           2HB      TRP  27   2.201   0.385  -4.292
  187    HB3  TRP  27           1HB      TRP  27   0.456   0.294  -4.053
  188    HD1  TRP  27           HD       TRP  27   3.674  -1.619  -3.458
  189    HE1  TRP  27           1HE      TRP  27   3.185  -3.642  -1.936
  190    HE3  TRP  27           3HE      TRP  27  -1.428  -1.441  -3.369
  191    HZ2  TRP  27           2HZ      TRP  27   0.927  -5.003  -0.826
  192    HZ3  TRP  27           3HZ      TRP  27  -2.722  -3.111  -2.073
  193    HH2  TRP  27           HH       TRP  27  -1.551  -4.889  -0.803
  194    H    LEU  28           H        LEU  28  -1.194   0.226  -5.991
  195    HA   LEU  28           HA       LEU  28  -2.802  -1.901  -5.263
  196    HB2  LEU  28           2HB      LEU  28  -3.248   0.407  -7.145
  197    HB3  LEU  28           1HB      LEU  28  -4.518  -0.773  -6.827
  198    HG   LEU  28           HG       LEU  28  -3.094   0.440  -4.486
  199   HD11  LEU  28          1HD1      LEU  28  -4.860   1.889  -6.404
  200   HD12  LEU  28          2HD1      LEU  28  -3.591   2.512  -5.349
  201   HD13  LEU  28          3HD1      LEU  28  -5.178   2.130  -4.688
  202   HD21  LEU  28          3HD2      LEU  28  -5.342   0.182  -3.483
  203   HD22  LEU  28          1HD2      LEU  28  -4.775  -1.339  -4.167
  204   HD23  LEU  28          2HD2      LEU  28  -5.967  -0.375  -5.035
  205    H    ARG  29           H        ARG  29  -2.289  -0.887  -8.647
  206    HA   ARG  29           HA       ARG  29  -3.372  -3.089  -9.902
  207    HB2  ARG  29           2HB      ARG  29  -1.838  -2.553 -11.803
  208    HB3  ARG  29           1HB      ARG  29  -2.692  -1.147 -11.172
  209    HG2  ARG  29           2HG      ARG  29  -0.741  -0.464  -9.899
  210    HG3  ARG  29           1HG      ARG  29   0.116  -1.939 -10.349
  211    HD2  ARG  29           2HD      ARG  29   0.598   0.246 -11.692
  212    HD3  ARG  29           1HD      ARG  29   0.383  -1.263 -12.574
  213    HE   ARG  29           HE       ARG  29  -1.573  -0.393 -13.474
  214   HH11  ARG  29          1HH2      ARG  29  -0.555   1.427 -10.715
  215   HH12  ARG  29          2HH2      ARG  29  -1.734   2.678 -10.932
  216   HH21  ARG  29          1HH1      ARG  29  -3.121   1.243 -13.767
  217   HH22  ARG  29          2HH1      ARG  29  -3.188   2.573 -12.660
  218    H    ALA  30           H        ALA  30  -0.261  -2.784  -8.328
  219    HA   ALA  30           HA       ALA  30   0.837  -5.212  -9.407
  220    HB1  ALA  30           1HB      ALA  30   1.704  -3.070  -7.657
  221    HB2  ALA  30           2HB      ALA  30   2.670  -4.178  -8.630
  222    HB3  ALA  30           3HB      ALA  30   2.159  -4.645  -7.008
  223    H    ALA  31           H        ALA  31  -1.183  -4.358  -6.714
  224    HA   ALA  31           HA       ALA  31  -0.779  -6.883  -5.335
  225    HB1  ALA  31           1HB      ALA  31  -3.070  -5.567  -4.334
  226    HB2  ALA  31           2HB      ALA  31  -1.891  -4.308  -4.703
  227    HB3  ALA  31           3HB      ALA  31  -1.462  -5.626  -3.612
  228    H    GLY  32           H        GLY  32  -3.260  -5.321  -7.316
  229    HA2  GLY  32           2HA      GLY  32  -4.345  -7.099  -8.825
  230    HA3  GLY  32           1HA      GLY  32  -4.832  -7.821  -7.294
  231    H    PHE  33           H        PHE  33  -4.656  -4.359  -7.764
  232    HA   PHE  33           HA       PHE  33  -7.577  -4.183  -8.042
  233    HB2  PHE  33           2HB      PHE  33  -6.106  -2.498  -6.021
  234    HB3  PHE  33           1HB      PHE  33  -7.846  -2.763  -6.170
  235    HD1  PHE  33           1HD      PHE  33  -8.490  -5.399  -6.166
  236    HD2  PHE  33           2HD      PHE  33  -5.033  -3.660  -4.303
  237    HE1  PHE  33           1HE      PHE  33  -8.329  -7.349  -4.643
  238    HE2  PHE  33           2HE      PHE  33  -4.873  -5.607  -2.779
  239    HZ   PHE  33           HZ       PHE  33  -6.521  -7.453  -2.948
  240    HA   PRO  34           HA       PRO  34  -4.941  -1.130 -10.515
  241    HB2  PRO  34           2HB      PRO  34  -5.676  -2.033 -13.002
  242    HB3  PRO  34           1HB      PRO  34  -4.246  -2.615 -12.127
  243    HG2  PRO  34           2HG      PRO  34  -6.926  -3.870 -12.425
  244    HG3  PRO  34           1HG      PRO  34  -5.320  -4.619 -12.418
  245    HD2  PRO  34           2HD      PRO  34  -6.984  -4.667 -10.249
  246    HD3  PRO  34           1HD      PRO  34  -5.213  -4.692 -10.111
  247    H    GLN  35           H        GLN  35  -8.213  -2.365 -10.751
  248    HA   GLN  35           HA       GLN  35  -9.371  -0.356 -12.337
  249    HB2  GLN  35           2HB      GLN  35 -11.494  -1.064 -11.368
  250    HB3  GLN  35           1HB      GLN  35 -10.499  -2.480 -11.714
  251    HG2  GLN  35           2HG      GLN  35 -11.193  -2.954  -9.546
  252    HG3  GLN  35           1HG      GLN  35  -9.667  -2.126  -9.236
  253   HE21  GLN  35          1HE2      GLN  35  -9.840  -0.511  -7.685
  254   HE22  GLN  35          2HE2      GLN  35 -11.248   0.377  -7.352
  255    H    TYR  36           H        TYR  36  -8.050  -0.218  -9.202
  256    HA   TYR  36           HA       TYR  36  -9.701   1.938  -8.228
  257    HB2  TYR  36           2HB      TYR  36  -7.898   0.122  -7.090
  258    HB3  TYR  36           1HB      TYR  36  -7.136   1.701  -6.908
  259    HD1  TYR  36           1HD      TYR  36  -9.213   3.591  -6.501
  260    HD2  TYR  36           2HD      TYR  36  -9.032  -0.480  -5.142
  261    HE1  TYR  36           1HE      TYR  36 -10.773   4.139  -4.655
  262    HE2  TYR  36           2HE      TYR  36 -10.589   0.065  -3.295
  263    HH   TYR  36           HH       TYR  36 -11.146   2.498  -2.017
  264    H    ALA  37           H        ALA  37  -6.174   1.804  -8.783
  265    HA   ALA  37           HA       ALA  37  -5.461   4.388  -8.747
  266    HB1  ALA  37           1HB      ALA  37  -3.938   3.825 -10.766
  267    HB2  ALA  37           2HB      ALA  37  -4.642   2.211 -10.651
  268    HB3  ALA  37           3HB      ALA  37  -3.749   2.884  -9.287
  269    H    GLN  38           H        GLN  38  -7.316   2.847 -11.297
  270    HA   GLN  38           HA       GLN  38  -7.235   4.843 -13.245
  271    HB2  GLN  38           2HB      GLN  38  -8.691   2.448 -12.740
  272    HB3  GLN  38           1HB      GLN  38  -9.848   3.705 -13.184
  273    HG2  GLN  38           2HG      GLN  38  -7.334   3.041 -14.744
  274    HG3  GLN  38           1HG      GLN  38  -8.954   2.491 -15.167
  275   HE21  GLN  38          1HE2      GLN  38 -10.049   5.197 -14.162
  276   HE22  GLN  38          2HE2      GLN  38  -9.713   6.266 -15.436
  277    H    LEU  39           H        LEU  39  -9.410   4.459 -10.462
  278    HA   LEU  39           HA       LEU  39 -11.122   6.612 -11.024
  279    HB2  LEU  39           2HB      LEU  39 -10.469   4.964  -8.654
  280    HB3  LEU  39           1HB      LEU  39 -11.163   6.547  -8.314
  281    HG   LEU  39           HG       LEU  39 -13.034   6.032  -9.882
  282   HD11  LEU  39          1HD1      LEU  39 -12.008   4.455 -11.371
  283   HD12  LEU  39          2HD1      LEU  39 -13.265   3.575 -10.504
  284   HD13  LEU  39          3HD1      LEU  39 -11.576   3.382 -10.039
  285   HD21  LEU  39          3HD2      LEU  39 -12.434   4.591  -7.381
  286   HD22  LEU  39          1HD2      LEU  39 -13.684   3.836  -8.369
  287   HD23  LEU  39          2HD2      LEU  39 -13.871   5.507  -7.836
  288    H    TYR  40           H        TYR  40  -8.074   6.495  -9.187
  289    HA   TYR  40           HA       TYR  40  -7.981   8.955  -8.019
  290    HB2  TYR  40           2HB      TYR  40  -6.121   7.362  -7.893
  291    HB3  TYR  40           1HB      TYR  40  -5.735   7.664  -9.584
  292    HD1  TYR  40           1HD      TYR  40  -6.382   9.624  -6.445
  293    HD2  TYR  40           2HD      TYR  40  -4.042   9.205 -10.024
  294    HE1  TYR  40           1HE      TYR  40  -5.008  11.577  -5.777
  295    HE2  TYR  40           2HE      TYR  40  -2.669  11.156  -9.355
  296    HH   TYR  40           HH       TYR  40  -2.537  12.359  -6.331
  297    H    GLU  41           H        GLU  41  -7.123   8.265 -11.400
  298    HA   GLU  41           HA       GLU  41  -6.421  10.768 -12.282
  299    HB2  GLU  41           2HB      GLU  41  -8.221   8.964 -13.896
  300    HB3  GLU  41           1HB      GLU  41  -6.952  10.047 -14.475
  301    HG2  GLU  41           2HG      GLU  41  -5.419   8.549 -12.916
  302    HG3  GLU  41           1HG      GLU  41  -6.705   7.368 -13.158
  303    H    ASP  42           H        ASP  42  -9.637   9.568 -11.521
  304    HA   ASP  42           HA       ASP  42 -10.875  12.027 -12.526
  305    HB2  ASP  42           2HB      ASP  42 -11.720   9.358 -12.342
  306    HB3  ASP  42           1HB      ASP  42 -12.670  10.233 -11.142
  307    H    SER  43           H        SER  43  -9.521  10.827  -9.689
  308    HA   SER  43           HA       SER  43  -9.282  11.881  -7.638
  309    HB2  SER  43           2HB      SER  43 -10.159  13.960  -9.066
  310    HB3  SER  43           1HB      SER  43 -11.594  13.706  -8.077
  311    HG   SER  43           HG       SER  43  -9.922  13.582  -6.295
  312    H    GLN  44           H        GLN  44 -11.333   9.800  -8.569
  313    HA   GLN  44           HA       GLN  44 -13.391  10.061  -6.506
  314    HB2  GLN  44           2HB      GLN  44 -12.913   8.054  -8.713
  315    HB3  GLN  44           1HB      GLN  44 -14.191   7.876  -7.512
  316    HG2  GLN  44           2HG      GLN  44 -13.913  10.437  -9.067
  317    HG3  GLN  44           1HG      GLN  44 -14.751   9.055  -9.769
  318   HE21  GLN  44          1HE2      GLN  44 -16.499   8.066  -8.210
  319   HE22  GLN  44          2HE2      GLN  44 -17.426   9.183  -7.328
  320    H    PHE  45           H        PHE  45 -10.489   9.626  -5.912
  321    HA   PHE  45           HA       PHE  45 -10.237   6.931  -4.961
  322    HB2  PHE  45           2HB      PHE  45  -8.519   9.149  -5.340
  323    HB3  PHE  45           1HB      PHE  45  -8.427   8.704  -3.636
  324    HD1  PHE  45           1HD      PHE  45  -8.753   6.887  -6.911
  325    HD2  PHE  45           2HD      PHE  45  -6.735   7.186  -3.131
  326    HE1  PHE  45           1HE      PHE  45  -7.346   4.937  -7.505
  327    HE2  PHE  45           2HE      PHE  45  -5.322   5.236  -3.733
  328    HZ   PHE  45           HZ       PHE  45  -5.631   4.110  -5.918
  329    HA   PRO  46           HA       PRO  46 -11.127   8.858  -0.755
  330    HB2  PRO  46           2HB      PRO  46 -12.668  11.211  -0.853
  331    HB3  PRO  46           1HB      PRO  46 -10.944  11.102  -0.468
  332    HG2  PRO  46           2HG      PRO  46 -12.181  12.204  -2.796
  333    HG3  PRO  46           1HG      PRO  46 -10.464  12.146  -2.379
  334    HD2  PRO  46           2HD      PRO  46 -11.929  10.516  -4.301
  335    HD3  PRO  46           1HD      PRO  46 -10.175  10.622  -4.042
  336    H    ILE  47           H        ILE  47 -12.575   7.393  -0.199
  337    HA   ILE  47           HA       ILE  47 -15.403   7.900  -0.398
  338    HB   ILE  47           HB       ILE  47 -15.802   5.649  -1.572
  339   HG12  ILE  47          2HG1      ILE  47 -12.977   6.141  -2.544
  340   HG13  ILE  47          1HG1      ILE  47 -13.389   4.951  -1.310
  341   HG21  ILE  47          1HG2      ILE  47 -15.924   8.071  -2.612
  342   HG22  ILE  47          2HG2      ILE  47 -15.965   6.662  -3.666
  343   HG23  ILE  47          3HG2      ILE  47 -14.465   7.563  -3.464
  344   HD11  ILE  47          3HD1      ILE  47 -14.600   5.000  -4.090
  345   HD12  ILE  47          1HD1      ILE  47 -14.810   3.748  -2.866
  346   HD13  ILE  47          2HD1      ILE  47 -13.236   3.986  -3.627
  347    H    ASN  48           H        ASN  48 -16.591   5.806   0.411
  348    HA   ASN  48           HA       ASN  48 -15.712   5.239   3.007
  349    HB2  ASN  48           2HB      ASN  48 -18.037   4.901   1.865
  350    HB3  ASN  48           1HB      ASN  48 -17.410   3.309   1.450
  351   HD21  ASN  48          1HD2      ASN  48 -15.749   3.535   4.109
  352   HD22  ASN  48          2HD2      ASN  48 -16.880   3.081   5.291
  353    H    ILE  49           H        ILE  49 -13.503   4.664   2.876
  354    HA   ILE  49           HA       ILE  49 -12.318   2.743   1.295
  355    HB   ILE  49           HB       ILE  49 -11.702   3.487   4.157
  356   HG12  ILE  49          2HG1      ILE  49 -10.361   4.315   1.566
  357   HG13  ILE  49          1HG1      ILE  49 -11.619   5.272   2.350
  358   HG21  ILE  49          1HG2      ILE  49 -10.511   1.519   2.303
  359   HG22  ILE  49          2HG2      ILE  49 -10.380   1.635   4.058
  360   HG23  ILE  49          3HG2      ILE  49  -9.356   2.635   3.029
  361   HD11  ILE  49          3HD1      ILE  49  -9.446   6.115   3.051
  362   HD12  ILE  49          1HD1      ILE  49  -8.937   4.497   3.535
  363   HD13  ILE  49          2HD1      ILE  49 -10.217   5.323   4.425
  364    H    VAL  50           H        VAL  50 -13.159   2.128   4.694
  365    HA   VAL  50           HA       VAL  50 -12.843  -0.531   4.873
  366    HB   VAL  50           HB       VAL  50 -13.646   0.587   6.794
  367   HG11  VAL  50          1HG1      VAL  50 -16.155   1.201   5.206
  368   HG12  VAL  50          2HG1      VAL  50 -14.889   2.363   5.609
  369   HG13  VAL  50          3HG1      VAL  50 -15.867   1.646   6.888
  370   HG21  VAL  50          3HG2      VAL  50 -15.258  -0.927   7.575
  371   HG22  VAL  50          1HG2      VAL  50 -14.535  -1.811   6.231
  372   HG23  VAL  50          2HG2      VAL  50 -16.085  -0.996   6.019
  373    H    ALA  51           H        ALA  51 -15.627   1.019   3.325
  374    HA   ALA  51           HA       ALA  51 -17.119  -1.318   2.835
  375    HB1  ALA  51           1HB      ALA  51 -17.201   1.022   0.972
  376    HB2  ALA  51           2HB      ALA  51 -17.760   1.199   2.635
  377    HB3  ALA  51           3HB      ALA  51 -18.525   0.021   1.569
  378    H    VAL  52           H        VAL  52 -14.436   0.099   1.037
  379    HA   VAL  52           HA       VAL  52 -14.940  -1.624  -1.252
  380    HB   VAL  52           HB       VAL  52 -13.391  -0.392  -2.404
  381   HG11  VAL  52          1HG1      VAL  52 -13.694   1.613  -0.196
  382   HG12  VAL  52          2HG1      VAL  52 -15.110   1.074  -1.093
  383   HG13  VAL  52          3HG1      VAL  52 -13.776   1.859  -1.937
  384   HG21  VAL  52          3HG2      VAL  52 -11.453   0.781  -1.241
  385   HG22  VAL  52          1HG2      VAL  52 -11.386  -0.975  -1.209
  386   HG23  VAL  52          2HG2      VAL  52 -11.902  -0.077   0.217
  387    H    LYS  53           H        LYS  53 -12.571  -1.389   1.372
  388    HA   LYS  53           HA       LYS  53 -10.807  -3.382   0.642
  389    HB2  LYS  53           2HB      LYS  53 -11.801  -3.024   3.460
  390    HB3  LYS  53           1HB      LYS  53 -10.193  -3.518   2.927
  391    HG2  LYS  53           2HG      LYS  53 -10.383  -1.144   1.649
  392    HG3  LYS  53           1HG      LYS  53 -11.393  -0.803   3.054
  393    HD2  LYS  53           2HD      LYS  53  -8.552  -1.863   3.137
  394    HD3  LYS  53           1HD      LYS  53  -9.044  -0.209   3.496
  395    HE2  LYS  53           2HE      LYS  53  -9.274  -0.887   5.640
  396    HE3  LYS  53           1HE      LYS  53 -10.719  -1.740   5.099
  397    HZ1  LYS  53           3HZ      LYS  53  -9.470  -3.707   4.744
  398    HZ2  LYS  53           1HZ      LYS  53  -9.063  -3.142   6.291
  399    HZ3  LYS  53           2HZ      LYS  53  -7.994  -2.904   4.992
  400    H    ASN  54           H        ASN  54 -14.091  -3.648   1.267
  401    HA   ASN  54           HA       ASN  54 -13.975  -6.480   2.022
  402    HB2  ASN  54           2HB      ASN  54 -16.172  -4.426   1.878
  403    HB3  ASN  54           1HB      ASN  54 -16.546  -6.146   1.980
  404   HD21  ASN  54          1HD2      ASN  54 -14.118  -4.004   3.601
  405   HD22  ASN  54          2HD2      ASN  54 -14.493  -4.540   5.167
  406    H    ASP  55           H        ASP  55 -15.159  -4.360  -0.540
  407    HA   ASP  55           HA       ASP  55 -15.800  -6.693  -2.213
  408    HB2  ASP  55           2HB      ASP  55 -16.242  -3.804  -2.943
  409    HB3  ASP  55           1HB      ASP  55 -17.065  -5.232  -3.569
  410    H    HIS  56           H        HIS  56 -14.335  -3.513  -2.924
  411    HA   HIS  56           HA       HIS  56 -13.035  -4.172  -5.250
  412    HB2  HIS  56           2HB      HIS  56 -12.174  -2.280  -3.058
  413    HB3  HIS  56           1HB      HIS  56 -11.381  -2.372  -4.630
  414    HD2  HIS  56           2HD      HIS  56 -12.413  -0.272  -6.093
  415    HE1  HIS  56           1HE      HIS  56 -16.459  -0.679  -4.961
  416    HE2  HIS  56           2HE      HIS  56 -14.845   0.622  -6.427
  417    H    ASP  57           H        ASP  57 -12.221  -5.144  -2.024
  418    HA   ASP  57           HA       ASP  57  -9.966  -6.684  -3.109
  419    HB2  ASP  57           2HB      ASP  57  -9.083  -4.578  -2.093
  420    HB3  ASP  57           1HB      ASP  57  -9.776  -5.085  -0.555
  421    H    PHE  58           H        PHE  58 -10.065  -8.731  -2.500
  422    HA   PHE  58           HA       PHE  58 -11.270  -9.432   0.085
  423    HB2  PHE  58           2HB      PHE  58 -13.141  -9.791  -1.291
  424    HB3  PHE  58           1HB      PHE  58 -12.153 -10.381  -2.629
  425    HD1  PHE  58           2HD      PHE  58 -13.565 -11.211   0.684
  426    HD2  PHE  58           1HD      PHE  58 -11.340 -12.658  -2.693
  427    HE1  PHE  58           2HE      PHE  58 -13.840 -13.536   1.501
  428    HE2  PHE  58           1HE      PHE  58 -11.615 -14.985  -1.876
  429    HZ   PHE  58           HZ       PHE  58 -12.865 -15.423   0.221
  430    H    LEU  59           H        LEU  59  -8.912  -9.791  -2.287
  431    HA   LEU  59           HA       LEU  59  -8.088 -12.439  -2.108
  432    HB2  LEU  59           2HB      LEU  59  -7.086 -10.034  -3.184
  433    HB3  LEU  59           1HB      LEU  59  -5.806 -10.682  -2.158
  434    HG   LEU  59           HG       LEU  59  -6.118 -12.906  -3.294
  435   HD11  LEU  59          1HD1      LEU  59  -7.370 -11.846  -5.672
  436   HD12  LEU  59          2HD1      LEU  59  -8.432 -11.617  -4.283
  437   HD13  LEU  59          3HD1      LEU  59  -7.851 -13.232  -4.694
  438   HD21  LEU  59          3HD2      LEU  59  -4.279 -11.877  -4.216
  439   HD22  LEU  59          1HD2      LEU  59  -5.169 -10.406  -4.607
  440   HD23  LEU  59          2HD2      LEU  59  -5.321 -11.829  -5.637
  441    H    GLU  60           H        GLU  60  -5.587 -12.637  -1.141
  442    HA   GLU  60           HA       GLU  60  -5.774 -13.365   1.461
  443    HB2  GLU  60           2HB      GLU  60  -3.213 -12.371   1.429
  444    HB3  GLU  60           1HB      GLU  60  -3.693 -13.954   0.818
  445    HG2  GLU  60           2HG      GLU  60  -3.874 -13.142  -1.422
  446    HG3  GLU  60           1HG      GLU  60  -3.771 -11.462  -0.895
  447    H    LYS  61           H        LYS  61  -5.123 -12.425   3.486
  448    HA   LYS  61           HA       LYS  61  -6.213  -9.820   3.894
  449    HB2  LYS  61           2HB      LYS  61  -5.366 -12.033   5.513
  450    HB3  LYS  61           1HB      LYS  61  -4.643 -10.550   6.136
  451    HG2  LYS  61           2HG      LYS  61  -7.585 -10.868   5.482
  452    HG3  LYS  61           1HG      LYS  61  -6.905 -11.016   7.102
  453    HD2  LYS  61           2HD      LYS  61  -5.933  -8.593   5.901
  454    HD3  LYS  61           1HD      LYS  61  -7.690  -8.636   5.766
  455    HE2  LYS  61           2HE      LYS  61  -7.851  -9.140   8.190
  456    HE3  LYS  61           1HE      LYS  61  -6.094  -9.036   8.314
  457    HZ1  LYS  61           3HZ      LYS  61  -6.108  -6.790   8.009
  458    HZ2  LYS  61           1HZ      LYS  61  -7.600  -6.972   8.797
  459    HZ3  LYS  61           2HZ      LYS  61  -7.550  -6.795   7.108
  460    H    ASP  62           H        ASP  62  -3.061 -10.990   3.123
  461    HA   ASP  62           HA       ASP  62  -1.575  -8.784   4.197
  462    HB2  ASP  62           2HB      ASP  62   0.254  -9.654   2.754
  463    HB3  ASP  62           1HB      ASP  62  -0.464 -10.905   3.767
  464    H    LEU  63           H        LEU  63  -3.898  -8.739   1.989
  465    HA   LEU  63           HA       LEU  63  -2.619  -6.586   0.413
  466    HB2  LEU  63           2HB      LEU  63  -3.632  -9.050  -0.552
  467    HB3  LEU  63           1HB      LEU  63  -4.774  -7.798  -1.041
  468    HG   LEU  63           HG       LEU  63  -2.863  -6.464  -1.935
  469   HD11  LEU  63          1HD1      LEU  63  -1.367  -8.410  -0.475
  470   HD12  LEU  63          2HD1      LEU  63  -0.756  -7.023  -1.376
  471   HD13  LEU  63          3HD1      LEU  63  -0.953  -8.581  -2.180
  472   HD21  LEU  63          3HD2      LEU  63  -2.283  -8.286  -3.764
  473   HD22  LEU  63          1HD2      LEU  63  -3.920  -7.639  -3.644
  474   HD23  LEU  63          2HD2      LEU  63  -3.539  -9.209  -2.937
  475    H    VAL  64           H        VAL  64  -4.910  -7.354   2.653
  476    HA   VAL  64           HA       VAL  64  -6.990  -5.554   1.681
  477    HB   VAL  64           HB       VAL  64  -6.706  -7.391   4.039
  478   HG11  VAL  64          1HG1      VAL  64  -7.667  -5.552   5.143
  479   HG12  VAL  64          2HG1      VAL  64  -9.076  -6.468   4.607
  480   HG13  VAL  64          3HG1      VAL  64  -8.559  -5.040   3.710
  481   HG21  VAL  64          3HG2      VAL  64  -7.576  -8.078   1.726
  482   HG22  VAL  64          1HG2      VAL  64  -8.969  -7.048   2.061
  483   HG23  VAL  64          2HG2      VAL  64  -8.632  -8.439   3.092
  484    H    GLU  65           H        GLU  65  -5.002  -5.795   4.654
  485    HA   GLU  65           HA       GLU  65  -5.655  -3.298   5.698
  486    HB2  GLU  65           2HB      GLU  65  -3.781  -5.365   6.286
  487    HB3  GLU  65           1HB      GLU  65  -2.923  -3.826   6.313
  488    HG2  GLU  65           2HG      GLU  65  -5.528  -4.355   7.771
  489    HG3  GLU  65           1HG      GLU  65  -3.936  -4.429   8.521
  490    HA   PRO  66           HA       PRO  66  -1.698  -1.605   3.337
  491    HB2  PRO  66           2HB      PRO  66  -1.928  -3.280   0.895
  492    HB3  PRO  66           1HB      PRO  66  -0.478  -2.744   1.761
  493    HG2  PRO  66           2HG      PRO  66  -1.351  -5.268   1.878
  494    HG3  PRO  66           1HG      PRO  66  -0.565  -4.475   3.253
  495    HD2  PRO  66           2HD      PRO  66  -3.453  -5.108   2.846
  496    HD3  PRO  66           1HD      PRO  66  -2.509  -5.038   4.347
  497    H    LEU  67           H        LEU  67  -4.580  -2.868   1.745
  498    HA   LEU  67           HA       LEU  67  -4.850  -0.915  -0.269
  499    HB2  LEU  67           2HB      LEU  67  -6.164  -3.138   0.127
  500    HB3  LEU  67           1HB      LEU  67  -7.234  -2.125   1.097
  501    HG   LEU  67           HG       LEU  67  -7.069  -0.547  -1.043
  502   HD11  LEU  67          1HD1      LEU  67  -6.858  -1.756  -3.098
  503   HD12  LEU  67          2HD1      LEU  67  -6.863  -3.308  -2.262
  504   HD13  LEU  67          3HD1      LEU  67  -5.474  -2.232  -2.114
  505   HD21  LEU  67          3HD2      LEU  67  -8.811  -2.921  -0.464
  506   HD22  LEU  67          1HD2      LEU  67  -9.068  -2.004  -1.948
  507   HD23  LEU  67          2HD2      LEU  67  -9.208  -1.206  -0.380
  508    H    CYS  68           H        CYS  68  -5.827  -0.988   3.115
  509    HA   CYS  68           HA       CYS  68  -7.343   1.440   3.015
  510    HB2  CYS  68           2HB      CYS  68  -7.866   0.950   5.158
  511    HB3  CYS  68           1HB      CYS  68  -7.082  -0.596   4.837
  512    HG   CYS  68           HG       CYS  68  -5.734   1.798   6.316
  513    H    ARG  69           H        ARG  69  -4.014   0.739   3.033
  514    HA   ARG  69           HA       ARG  69  -3.226   3.227   4.326
  515    HB2  ARG  69           2HB      ARG  69  -1.584   1.096   2.939
  516    HB3  ARG  69           1HB      ARG  69  -0.925   2.471   3.817
  517    HG2  ARG  69           2HG      ARG  69  -2.929   0.844   5.277
  518    HG3  ARG  69           1HG      ARG  69  -1.379   0.064   4.970
  519    HD2  ARG  69           2HD      ARG  69  -1.372   1.265   7.127
  520    HD3  ARG  69           1HD      ARG  69  -0.200   1.946   6.010
  521    HE   ARG  69           HE       ARG  69  -2.777   3.163   6.786
  522   HH11  ARG  69          1HH2      ARG  69   0.274   3.342   5.157
  523   HH12  ARG  69          2HH2      ARG  69   0.210   5.057   4.951
  524   HH21  ARG  69          1HH1      ARG  69  -2.862   5.405   6.519
  525   HH22  ARG  69          2HH1      ARG  69  -1.563   6.226   5.718
  526    H    ARG  70           H        ARG  70  -2.733   1.760   1.101
  527    HA   ARG  70           HA       ARG  70  -1.706   4.062  -0.137
  528    HB2  ARG  70           2HB      ARG  70  -3.393   1.957  -1.505
  529    HB3  ARG  70           1HB      ARG  70  -2.143   2.961  -2.227
  530    HG2  ARG  70           2HG      ARG  70  -1.818   0.661  -0.309
  531    HG3  ARG  70           1HG      ARG  70  -1.094   0.866  -1.898
  532    HD2  ARG  70           2HD      ARG  70   0.133   2.887  -0.908
  533    HD3  ARG  70           1HD      ARG  70  -0.393   2.303   0.668
  534    HE   ARG  70           HE       ARG  70   1.710   1.201  -0.935
  535   HH11  ARG  70          1HH2      ARG  70  -0.826   0.470   1.303
  536   HH12  ARG  70          2HH2      ARG  70  -0.077  -0.977   1.892
  537   HH21  ARG  70          1HH1      ARG  70   2.694  -0.699  -0.174
  538   HH22  ARG  70          2HH1      ARG  70   1.916  -1.639   1.056
  539    H    LEU  71           H        LEU  71  -5.057   2.816  -0.162
  540    HA   LEU  71           HA       LEU  71  -6.185   4.927  -1.606
  541    HB2  LEU  71           2HB      LEU  71  -7.431   3.263   0.592
  542    HB3  LEU  71           1HB      LEU  71  -8.325   4.283  -0.534
  543    HG   LEU  71           HG       LEU  71  -6.523   1.980  -1.346
  544   HD11  LEU  71          1HD1      LEU  71  -8.690   0.875  -1.943
  545   HD12  LEU  71          2HD1      LEU  71  -9.540   2.198  -1.146
  546   HD13  LEU  71          3HD1      LEU  71  -8.494   1.129  -0.209
  547   HD21  LEU  71          3HD2      LEU  71  -8.134   4.024  -2.837
  548   HD22  LEU  71          1HD2      LEU  71  -8.053   2.390  -3.492
  549   HD23  LEU  71          2HD2      LEU  71  -6.575   3.315  -3.247
  550    H    ASN  72           H        ASN  72  -6.032   4.527   1.938
  551    HA   ASN  72           HA       ASN  72  -7.124   6.993   2.637
  552    HB2  ASN  72           2HB      ASN  72  -6.724   5.246   4.286
  553    HB3  ASN  72           1HB      ASN  72  -4.983   5.401   4.062
  554   HD21  ASN  72          1HD2      ASN  72  -7.778   6.795   5.638
  555   HD22  ASN  72          2HD2      ASN  72  -6.942   8.031   6.449
  556    H    THR  73           H        THR  73  -3.917   6.205   1.470
  557    HA   THR  73           HA       THR  73  -2.707   8.683   2.270
  558    HB   THR  73           HB       THR  73  -1.813   6.770   0.100
  559    HG1  THR  73           1HG      THR  73  -0.846   5.649   1.662
  560   HG21  THR  73          3HG2      THR  73   0.439   7.730   0.787
  561   HG22  THR  73          1HG2      THR  73  -0.453   8.957   1.684
  562   HG23  THR  73          2HG2      THR  73  -0.630   8.842  -0.067
  563    H    LEU  74           H        LEU  74  -3.503   7.412  -0.976
  564    HA   LEU  74           HA       LEU  74  -3.193   9.857  -2.315
  565    HB2  LEU  74           2HB      LEU  74  -4.417   7.232  -2.910
  566    HB3  LEU  74           1HB      LEU  74  -5.024   8.583  -3.866
  567    HG   LEU  74           HG       LEU  74  -2.078   7.961  -3.512
  568   HD11  LEU  74          1HD1      LEU  74  -3.387   6.159  -4.715
  569   HD12  LEU  74          2HD1      LEU  74  -2.130   6.924  -5.687
  570   HD13  LEU  74          3HD1      LEU  74  -3.819   7.372  -5.921
  571   HD21  LEU  74          3HD2      LEU  74  -1.786   9.952  -4.529
  572   HD22  LEU  74          1HD2      LEU  74  -3.531  10.195  -4.594
  573   HD23  LEU  74          2HD2      LEU  74  -2.706   9.368  -5.914
  574    H    ASN  75           H        ASN  75  -6.060   8.343  -0.870
  575    HA   ASN  75           HA       ASN  75  -8.084   9.984  -1.702
  576    HB2  ASN  75           2HB      ASN  75  -7.571   8.824   1.039
  577    HB3  ASN  75           1HB      ASN  75  -9.067   9.655   0.618
  578   HD21  ASN  75          1HD2      ASN  75  -9.612   7.153   1.274
  579   HD22  ASN  75          2HD2      ASN  75  -9.796   6.137  -0.070
  580    H    LYS  76           H        LYS  76  -5.434  10.774   0.401
  581    HA   LYS  76           HA       LYS  76  -6.625  13.276   1.287
  582    HB2  LYS  76           2HB      LYS  76  -4.887  11.643   2.500
  583    HB3  LYS  76           1HB      LYS  76  -3.731  12.696   1.688
  584    HG2  LYS  76           2HG      LYS  76  -4.041  13.889   3.652
  585    HG3  LYS  76           1HG      LYS  76  -5.298  14.610   2.652
  586    HD2  LYS  76           2HD      LYS  76  -6.321  14.060   4.759
  587    HD3  LYS  76           1HD      LYS  76  -6.905  12.888   3.580
  588    HE2  LYS  76           2HE      LYS  76  -4.452  11.926   4.777
  589    HE3  LYS  76           1HE      LYS  76  -5.615  12.342   6.034
  590    HZ1  LYS  76           3HZ      LYS  76  -6.091  10.554   3.712
  591    HZ2  LYS  76           1HZ      LYS  76  -7.276  11.017   4.834
  592    HZ3  LYS  76           2HZ      LYS  76  -5.950  10.085   5.340
  593    H    CYS  77           H        CYS  77  -4.427  12.118  -1.153
  594    HA   CYS  77           HA       CYS  77  -3.503  14.804  -1.828
  595    HB2  CYS  77           2HB      CYS  77  -1.857  13.055  -1.989
  596    HB3  CYS  77           1HB      CYS  77  -2.919  12.082  -3.005
  597    HG   CYS  77           HG       CYS  77  -2.221  13.397  -4.987
  598    H    ALA  78           H        ALA  78  -5.981  12.600  -2.721
  599    HA   ALA  78           HA       ALA  78  -6.404  13.421  -5.405
  600    HB1  ALA  78           1HB      ALA  78  -8.633  12.399  -5.134
  601    HB2  ALA  78           2HB      ALA  78  -8.358  12.278  -3.396
  602    HB3  ALA  78           3HB      ALA  78  -7.358  11.348  -4.513
  603    H    SER  79           H        SER  79  -6.887  15.016  -2.451
  604    HA   SER  79           HA       SER  79  -9.031  16.731  -3.471
  605    HB2  SER  79           2HB      SER  79  -8.494  15.811  -0.955
  606    HB3  SER  79           1HB      SER  79  -7.767  17.414  -0.898
  607    HG   SER  79           HG       SER  79  -9.725  18.294  -1.498
  608    H    MET  80           H        MET  80  -6.188  16.657  -4.516
  609    HA   MET  80           HA       MET  80  -4.939  19.112  -3.746
  610    HB2  MET  80           2HB      MET  80  -3.488  18.719  -5.697
  611    HB3  MET  80           1HB      MET  80  -3.659  17.257  -4.725
  612    HG2  MET  80           2HG      MET  80  -5.777  17.029  -6.462
  613    HG3  MET  80           1HG      MET  80  -4.556  17.794  -7.477
  614    HE1  MET  80           3HE      MET  80  -4.783  15.819  -8.959
  615    HE2  MET  80           1HE      MET  80  -5.761  14.754  -7.940
  616    HE3  MET  80           2HE      MET  80  -4.248  14.174  -8.630
  617    H    LYS  81           H        LYS  81  -4.392  20.735  -5.590
  618    HA   LYS  81           HA       LYS  81  -5.286  22.577  -6.674
  619    HB2  LYS  81           2HB      LYS  81  -6.454  20.304  -8.299
  620    HB3  LYS  81           1HB      LYS  81  -6.297  21.976  -8.841
  621    HG2  LYS  81           2HG      LYS  81  -3.800  20.865  -7.770
  622    HG3  LYS  81           1HG      LYS  81  -4.389  20.007  -9.193
  623    HD2  LYS  81           2HD      LYS  81  -4.220  23.024  -9.104
  624    HD3  LYS  81           1HD      LYS  81  -2.861  22.027  -9.621
  625    HE2  LYS  81           2HE      LYS  81  -5.400  21.271 -10.888
  626    HE3  LYS  81           1HE      LYS  81  -4.893  22.916 -11.268
  627    HZ1  LYS  81           3HZ      LYS  81  -2.591  21.687 -11.562
  628    HZ2  LYS  81           1HZ      LYS  81  -3.713  21.805 -12.828
  629    HZ3  LYS  81           2HZ      LYS  81  -3.612  20.375 -11.917
  Start of MODEL    7
    1    H1   MET   1           1HT      MET   1   4.154   7.537 -24.629
    2    H2   MET   1           2HT      MET   1   4.209   9.156 -24.117
    3    H3   MET   1           3HT      MET   1   3.670   7.944 -23.055
    4    HA   MET   1           HA       MET   1   6.232   7.254 -23.977
    5    HB2  MET   1           2HB      MET   1   7.473   9.172 -22.987
    6    HB3  MET   1           1HB      MET   1   6.543   9.643 -24.410
    7    HG2  MET   1           2HG      MET   1   5.510  11.206 -23.165
    8    HG3  MET   1           1HG      MET   1   4.797   9.913 -22.199
    9    HE1  MET   1           2HE      MET   1   5.814  11.933 -19.222
   10    HE2  MET   1           3HE      MET   1   4.707  10.729 -19.877
   11    HE3  MET   1           1HE      MET   1   4.894  12.294 -20.681
   12    H    HIS   2           H        HIS   2   4.759   5.778 -22.508
   13    HA   HIS   2           HA       HIS   2   5.104   6.421 -19.665
   14    HB2  HIS   2           2HB      HIS   2   3.680   4.073 -20.937
   15    HB3  HIS   2           1HB      HIS   2   3.606   4.561 -19.243
   16    HD2  HIS   2           2HD      HIS   2   2.669   7.519 -19.170
   17    HE1  HIS   2           1HE      HIS   2  -0.000   6.722 -22.342
   18    HE2  HIS   2           2HE      HIS   2   0.578   8.359 -20.487
   19    H    HIS   3           H        HIS   3   5.582   4.305 -18.326
   20    HA   HIS   3           HA       HIS   3   7.531   2.546 -19.563
   21    HB2  HIS   3           2HB      HIS   3   8.763   3.675 -17.202
   22    HB3  HIS   3           1HB      HIS   3   9.411   3.529 -18.837
   23    HD2  HIS   3           2HD      HIS   3   7.136   6.104 -16.831
   24    HE1  HIS   3           1HE      HIS   3   8.888   8.085 -20.123
   25    HE2  HIS   3           2HE      HIS   3   7.445   8.390 -18.056
   26    H    HIS   4           H        HIS   4   7.875   0.673 -18.387
   27    HA   HIS   4           HA       HIS   4   6.022   0.266 -16.145
   28    HB2  HIS   4           2HB      HIS   4   7.624  -1.949 -17.357
   29    HB3  HIS   4           1HB      HIS   4   5.986  -1.976 -16.706
   30    HD2  HIS   4           2HD      HIS   4   7.394  -2.302 -20.081
   31    HE1  HIS   4           1HE      HIS   4   3.966   0.079 -20.719
   32    HE2  HIS   4           2HE      HIS   4   5.731  -1.351 -21.856
   33    H    HIS   5           H        HIS   5   7.069  -1.696 -14.707
   34    HA   HIS   5           HA       HIS   5   8.402  -1.918 -12.826
   35    HB2  HIS   5           2HB      HIS   5  10.545  -1.558 -14.935
   36    HB3  HIS   5           1HB      HIS   5  10.732  -2.370 -13.380
   37    HD2  HIS   5           2HD      HIS   5  11.249  -4.455 -15.682
   38    HE1  HIS   5           1HE      HIS   5   7.170  -5.524 -15.482
   39    HE2  HIS   5           2HE      HIS   5   9.457  -6.243 -16.320
   40    H    HIS   6           H        HIS   6   7.626   0.250 -12.090
   41    HA   HIS   6           HA       HIS   6   9.139   2.604 -12.474
   42    HB2  HIS   6           2HB      HIS   6   7.073   1.687 -10.533
   43    HB3  HIS   6           1HB      HIS   6   8.034   3.101 -10.101
   44    HD2  HIS   6           2HD      HIS   6   6.668   2.289 -13.748
   45    HE1  HIS   6           1HE      HIS   6   5.125   6.014 -12.494
   46    HE2  HIS   6           2HE      HIS   6   5.256   4.376 -14.431
   47    H    HIS   7           H        HIS   7   8.821   1.476  -9.189
   48    HA   HIS   7           HA       HIS   7  11.465   0.560  -8.781
   49    HB2  HIS   7           2HB      HIS   7  11.990   2.745  -7.331
   50    HB3  HIS   7           1HB      HIS   7  12.465   2.606  -9.024
   51    HD2  HIS   7           2HD      HIS   7  11.894   5.139 -10.007
   52    HE1  HIS   7           1HE      HIS   7   7.982   5.484  -8.461
   53    HE2  HIS   7           2HE      HIS   7   9.728   6.593  -9.934
   54    H    SER   8           H        SER   8  11.515  -0.497  -6.889
   55    HA   SER   8           HA       SER   8   9.203  -0.576  -5.222
   56    HB2  SER   8           2HB      SER   8  11.974  -1.699  -4.763
   57    HB3  SER   8           1HB      SER   8  10.542  -2.104  -3.823
   58    HG   SER   8           HG       SER   8   9.594  -2.807  -5.823
   59    H    SER   9           H        SER   9   8.799   0.351  -3.271
   60    HA   SER   9           HA       SER   9  10.681   2.445  -2.405
   61    HB2  SER   9           2HB      SER   9   8.600   3.451  -2.687
   62    HB3  SER   9           1HB      SER   9   7.724   2.036  -2.112
   63    HG   SER   9           HG       SER   9   7.800   2.897  -0.208
   64    H    GLY  10           H        GLY  10  10.718   2.828   0.013
   65    HA2  GLY  10           2HA      GLY  10  10.124   0.731   1.833
   66    HA3  GLY  10           1HA      GLY  10  11.816   0.642   1.348
   67    H    LEU  11           H        LEU  11  10.167   3.706   1.466
   68    HA   LEU  11           HA       LEU  11  11.980   4.578   3.595
   69    HB2  LEU  11           2HB      LEU  11  10.027   6.323   2.108
   70    HB3  LEU  11           1HB      LEU  11  11.537   6.784   2.894
   71    HG   LEU  11           HG       LEU  11  11.251   5.088   0.396
   72   HD11  LEU  11          1HD1      LEU  11  11.659   6.980  -0.773
   73   HD12  LEU  11          2HD1      LEU  11  12.946   7.471   0.328
   74   HD13  LEU  11          3HD1      LEU  11  11.265   7.851   0.709
   75   HD21  LEU  11          3HD2      LEU  11  13.858   5.487   0.502
   76   HD22  LEU  11          1HD2      LEU  11  13.135   4.165   1.418
   77   HD23  LEU  11          2HD2      LEU  11  13.558   5.675   2.229
   78    H    VAL  12           H        VAL  12  11.201   5.783   5.416
   79    HA   VAL  12           HA       VAL  12   8.788   4.647   6.526
   80    HB   VAL  12           HB       VAL  12   9.543   6.495   8.362
   81   HG11  VAL  12          1HG1      VAL  12  10.531   3.705   7.789
   82   HG12  VAL  12          2HG1      VAL  12   9.367   4.234   9.004
   83   HG13  VAL  12          3HG1      VAL  12  11.083   4.584   9.214
   84   HG21  VAL  12          3HG2      VAL  12  12.143   5.637   7.081
   85   HG22  VAL  12          1HG2      VAL  12  11.895   6.834   8.351
   86   HG23  VAL  12          2HG2      VAL  12  11.386   7.185   6.700
   87    HA   PRO  13           HA       PRO  13   6.020   7.932   5.523
   88    HB2  PRO  13           2HB      PRO  13   4.441   8.060   7.767
   89    HB3  PRO  13           1HB      PRO  13   4.313   6.781   6.544
   90    HG2  PRO  13           2HG      PRO  13   5.643   6.732   9.202
   91    HG3  PRO  13           1HG      PRO  13   4.716   5.468   8.376
   92    HD2  PRO  13           2HD      PRO  13   7.450   5.480   8.473
   93    HD3  PRO  13           1HD      PRO  13   6.530   4.756   7.136
   94    H    ARG  14           H        ARG  14   6.834   9.953   5.396
   95    HA   ARG  14           HA       ARG  14   6.857  11.625   7.768
   96    HB2  ARG  14           2HB      ARG  14   9.121  10.542   7.732
   97    HB3  ARG  14           1HB      ARG  14   9.401  11.303   6.166
   98    HG2  ARG  14           2HG      ARG  14   8.434  13.324   7.928
   99    HG3  ARG  14           1HG      ARG  14   9.709  12.449   8.776
  100    HD2  ARG  14           2HD      ARG  14   9.928  13.632   5.995
  101    HD3  ARG  14           1HD      ARG  14  10.639  14.313   7.457
  102    HE   ARG  14           HE       ARG  14  11.688  11.823   7.428
  103   HH11  ARG  14          1HH2      ARG  14  11.343  14.280   5.015
  104   HH12  ARG  14          2HH2      ARG  14  12.765  13.817   4.142
  105   HH21  ARG  14          1HH1      ARG  14  13.552  11.207   6.286
  106   HH22  ARG  14          2HH1      ARG  14  14.014  12.076   4.861
  107    H    GLY  15           H        GLY  15   5.141  12.559   6.467
  108    HA2  GLY  15           2HA      GLY  15   4.286  14.135   5.026
  109    HA3  GLY  15           1HA      GLY  15   5.877  14.886   5.112
  110    H    SER  16           H        SER  16   5.406  11.626   3.933
  111    HA   SER  16           HA       SER  16   6.333  12.506   1.279
  112    HB2  SER  16           2HB      SER  16   6.244   9.703   2.409
  113    HB3  SER  16           1HB      SER  16   7.050  10.226   0.933
  114    HG   SER  16           HG       SER  16   8.273  10.029   3.060
  115    H    GLN  17           H        GLN  17   3.483  12.340   2.571
  116    HA   GLN  17           HA       GLN  17   1.849  10.480   1.448
  117    HB2  GLN  17           2HB      GLN  17   1.443  13.453   1.764
  118    HB3  GLN  17           1HB      GLN  17   0.163  12.390   1.176
  119    HG2  GLN  17           2HG      GLN  17   1.659  11.828   3.740
  120    HG3  GLN  17           1HG      GLN  17   0.209  12.830   3.702
  121   HE21  GLN  17          1HE2      GLN  17  -1.805  11.756   2.800
  122   HE22  GLN  17          2HE2      GLN  17  -1.973  10.075   2.975
  123    H    GLU  18           H        GLU  18   3.720  12.858  -0.219
  124    HA   GLU  18           HA       GLU  18   2.242  12.822  -2.675
  125    HB2  GLU  18           2HB      GLU  18   4.958  13.807  -1.847
  126    HB3  GLU  18           1HB      GLU  18   4.507  13.754  -3.553
  127    HG2  GLU  18           2HG      GLU  18   2.773  15.070  -1.455
  128    HG3  GLU  18           1HG      GLU  18   4.018  15.949  -2.342
  129    H    ILE  19           H        ILE  19   5.582  11.696  -2.103
  130    HA   ILE  19           HA       ILE  19   5.812  10.088  -4.339
  131    HB   ILE  19           HB       ILE  19   6.992   9.563  -1.596
  132   HG12  ILE  19          2HG1      ILE  19   8.919  10.670  -3.273
  133   HG13  ILE  19          1HG1      ILE  19   7.466  11.602  -3.640
  134   HG21  ILE  19          1HG2      ILE  19   7.297   7.609  -2.932
  135   HG22  ILE  19          2HG2      ILE  19   8.811   8.505  -3.053
  136   HG23  ILE  19          3HG2      ILE  19   7.644   8.562  -4.374
  137   HD11  ILE  19          3HD1      ILE  19   7.140  12.046  -1.234
  138   HD12  ILE  19          1HD1      ILE  19   8.715  12.627  -1.777
  139   HD13  ILE  19          2HD1      ILE  19   8.595  11.120  -0.867
  140    H    GLU  20           H        GLU  20   3.848   9.629  -1.585
  141    HA   GLU  20           HA       GLU  20   3.630   6.764  -1.754
  142    HB2  GLU  20           2HB      GLU  20   2.135   8.917  -0.282
  143    HB3  GLU  20           1HB      GLU  20   1.544   7.254  -0.305
  144    HG2  GLU  20           2HG      GLU  20   3.699   6.465   0.584
  145    HG3  GLU  20           1HG      GLU  20   4.306   8.120   0.596
  146    H    ALA  21           H        ALA  21   1.864   9.541  -2.996
  147    HA   ALA  21           HA       ALA  21  -0.434   8.243  -3.936
  148    HB1  ALA  21           1HB      ALA  21  -0.308  10.170  -5.724
  149    HB2  ALA  21           2HB      ALA  21   1.001  10.755  -4.700
  150    HB3  ALA  21           3HB      ALA  21  -0.616  10.548  -4.029
  151    H    LYS  22           H        LYS  22   2.463   9.157  -5.831
  152    HA   LYS  22           HA       LYS  22   1.835   7.982  -8.221
  153    HB2  LYS  22           2HB      LYS  22   4.212   8.938  -6.941
  154    HB3  LYS  22           1HB      LYS  22   4.585   7.437  -7.788
  155    HG2  LYS  22           2HG      LYS  22   3.090   9.752  -9.054
  156    HG3  LYS  22           1HG      LYS  22   4.828   9.503  -9.209
  157    HD2  LYS  22           2HD      LYS  22   4.563   7.871 -10.746
  158    HD3  LYS  22           1HD      LYS  22   3.304   7.078  -9.800
  159    HE2  LYS  22           2HE      LYS  22   2.805   9.607 -11.385
  160    HE3  LYS  22           1HE      LYS  22   2.566   7.996 -12.062
  161    HZ1  LYS  22           3HZ      LYS  22   1.249   9.058  -9.621
  162    HZ2  LYS  22           1HZ      LYS  22   1.018   7.512 -10.274
  163    HZ3  LYS  22           2HZ      LYS  22   0.517   8.882 -11.144
  164    H    GLU  23           H        GLU  23   3.578   6.339  -5.559
  165    HA   GLU  23           HA       GLU  23   3.663   3.842  -6.913
  166    HB2  GLU  23           2HB      GLU  23   4.201   2.902  -4.648
  167    HB3  GLU  23           1HB      GLU  23   5.250   4.228  -5.146
  168    HG2  GLU  23           2HG      GLU  23   3.649   5.764  -3.866
  169    HG3  GLU  23           1HG      GLU  23   2.974   4.299  -3.160
  170    H    ALA  24           H        ALA  24   1.571   5.092  -4.323
  171    HA   ALA  24           HA       ALA  24  -0.044   3.026  -3.748
  172    HB1  ALA  24           1HB      ALA  24  -0.533   5.927  -4.080
  173    HB2  ALA  24           2HB      ALA  24  -0.783   4.903  -2.671
  174    HB3  ALA  24           3HB      ALA  24  -1.958   4.901  -3.987
  175    H    CYS  25           H        CYS  25  -0.507   5.112  -6.604
  176    HA   CYS  25           HA       CYS  25  -2.626   3.494  -7.654
  177    HB2  CYS  25           2HB      CYS  25  -2.861   5.592  -8.511
  178    HB3  CYS  25           1HB      CYS  25  -1.126   5.905  -8.499
  179    HG   CYS  25           HG       CYS  25  -2.455   4.093 -10.679
  180    H    ASP  26           H        ASP  26   0.858   3.735  -8.201
  181    HA   ASP  26           HA       ASP  26   0.854   1.947 -10.460
  182    HB2  ASP  26           2HB      ASP  26   2.654   3.739  -9.509
  183    HB3  ASP  26           1HB      ASP  26   3.337   2.241  -8.885
  184    H    TRP  27           H        TRP  27   0.593   1.534  -7.103
  185    HA   TRP  27           HA       TRP  27   1.739  -1.159  -7.114
  186    HB2  TRP  27           2HB      TRP  27   2.196   0.348  -5.200
  187    HB3  TRP  27           1HB      TRP  27   0.466   0.409  -4.857
  188    HD1  TRP  27           HD       TRP  27   3.429  -2.024  -4.884
  189    HE1  TRP  27           1HE      TRP  27   2.851  -4.038  -3.381
  190    HE3  TRP  27           3HE      TRP  27  -1.440  -0.943  -3.793
  191    HZ2  TRP  27           2HZ      TRP  27   0.617  -5.054  -1.910
  192    HZ3  TRP  27           3HZ      TRP  27  -2.770  -2.448  -2.341
  193    HH2  TRP  27           HH       TRP  27  -1.747  -4.500  -1.401
  194    H    LEU  28           H        LEU  28  -1.351   0.399  -6.222
  195    HA   LEU  28           HA       LEU  28  -2.927  -1.759  -5.706
  196    HB2  LEU  28           2HB      LEU  28  -3.535   0.782  -7.206
  197    HB3  LEU  28           1HB      LEU  28  -4.785  -0.424  -6.907
  198    HG   LEU  28           HG       LEU  28  -3.075   0.506  -4.623
  199   HD11  LEU  28          1HD1      LEU  28  -5.132   2.085  -6.095
  200   HD12  LEU  28          2HD1      LEU  28  -3.727   2.641  -5.186
  201   HD13  LEU  28          3HD1      LEU  28  -5.185   2.137  -4.333
  202   HD21  LEU  28          3HD2      LEU  28  -5.031  -1.355  -4.784
  203   HD22  LEU  28          1HD2      LEU  28  -6.014   0.070  -4.450
  204   HD23  LEU  28          2HD2      LEU  28  -4.741  -0.405  -3.327
  205    H    ARG  29           H        ARG  29  -1.642  -0.775  -8.795
  206    HA   ARG  29           HA       ARG  29  -3.285  -2.613 -10.316
  207    HB2  ARG  29           2HB      ARG  29  -2.708  -0.691 -11.524
  208    HB3  ARG  29           1HB      ARG  29  -1.036  -0.722 -10.966
  209    HG2  ARG  29           2HG      ARG  29  -0.471  -2.522 -12.382
  210    HG3  ARG  29           1HG      ARG  29  -2.158  -2.966 -12.637
  211    HD2  ARG  29           2HD      ARG  29  -1.051  -0.306 -13.538
  212    HD3  ARG  29           1HD      ARG  29  -0.979  -1.734 -14.557
  213    HE   ARG  29           HE       ARG  29  -3.357  -1.727 -14.699
  214   HH11  ARG  29          1HH2      ARG  29  -2.060   0.906 -12.862
  215   HH12  ARG  29          2HH2      ARG  29  -3.505   1.850 -12.950
  216   HH21  ARG  29          1HH1      ARG  29  -5.248  -0.494 -14.813
  217   HH22  ARG  29          2HH1      ARG  29  -5.310   1.060 -14.051
  218    H    ALA  30           H        ALA  30  -0.044  -2.496  -8.959
  219    HA   ALA  30           HA       ALA  30   0.877  -4.871 -10.299
  220    HB1  ALA  30           1HB      ALA  30   2.893  -4.359  -9.397
  221    HB2  ALA  30           2HB      ALA  30   2.214  -4.085  -7.794
  222    HB3  ALA  30           3HB      ALA  30   2.133  -2.815  -9.014
  223    H    ALA  31           H        ALA  31  -0.872  -4.155  -7.390
  224    HA   ALA  31           HA       ALA  31  -0.349  -6.703  -6.126
  225    HB1  ALA  31           1HB      ALA  31  -0.894  -5.307  -4.428
  226    HB2  ALA  31           2HB      ALA  31  -2.555  -5.712  -4.858
  227    HB3  ALA  31           3HB      ALA  31  -1.820  -4.234  -5.478
  228    H    GLY  32           H        GLY  32  -2.389  -5.587  -8.593
  229    HA2  GLY  32           2HA      GLY  32  -3.649  -7.147  -9.915
  230    HA3  GLY  32           1HA      GLY  32  -3.953  -8.084  -8.456
  231    H    PHE  33           H        PHE  33  -4.201  -4.646  -8.262
  232    HA   PHE  33           HA       PHE  33  -7.136  -4.763  -8.517
  233    HB2  PHE  33           2HB      PHE  33  -5.807  -3.252  -6.279
  234    HB3  PHE  33           1HB      PHE  33  -7.502  -3.706  -6.447
  235    HD1  PHE  33           1HD      PHE  33  -7.693  -6.431  -6.972
  236    HD2  PHE  33           2HD      PHE  33  -4.686  -4.455  -4.623
  237    HE1  PHE  33           1HE      PHE  33  -7.260  -8.543  -5.749
  238    HE2  PHE  33           2HE      PHE  33  -4.255  -6.568  -3.400
  239    HZ   PHE  33           HZ       PHE  33  -5.542  -8.611  -3.963
  240    HA   PRO  34           HA       PRO  34  -5.030  -1.049 -10.519
  241    HB2  PRO  34           2HB      PRO  34  -5.890  -1.569 -13.080
  242    HB3  PRO  34           1HB      PRO  34  -4.335  -2.115 -12.428
  243    HG2  PRO  34           2HG      PRO  34  -6.862  -3.622 -12.808
  244    HG3  PRO  34           1HG      PRO  34  -5.185  -4.159 -12.992
  245    HD2  PRO  34           2HD      PRO  34  -6.729  -4.758 -10.803
  246    HD3  PRO  34           1HD      PRO  34  -4.955  -4.651 -10.750
  247    H    GLN  35           H        GLN  35  -8.137  -2.440 -10.274
  248    HA   GLN  35           HA       GLN  35  -9.774  -0.614 -11.618
  249    HB2  GLN  35           2HB      GLN  35 -10.815  -2.563 -10.800
  250    HB3  GLN  35           1HB      GLN  35 -10.173  -2.328  -9.174
  251    HG2  GLN  35           2HG      GLN  35 -11.948  -0.209 -10.321
  252    HG3  GLN  35           1HG      GLN  35 -12.680  -1.703  -9.746
  253   HE21  GLN  35          1HE2      GLN  35 -12.155   1.323  -8.675
  254   HE22  GLN  35          2HE2      GLN  35 -11.858   1.024  -7.032
  255    H    TYR  36           H        TYR  36  -8.165  -0.415  -8.508
  256    HA   TYR  36           HA       TYR  36  -9.568   1.830  -7.493
  257    HB2  TYR  36           2HB      TYR  36  -6.834   0.694  -6.919
  258    HB3  TYR  36           1HB      TYR  36  -7.477   2.101  -6.071
  259    HD1  TYR  36           1HD      TYR  36  -9.969   1.812  -5.185
  260    HD2  TYR  36           2HD      TYR  36  -7.255  -1.416  -6.010
  261    HE1  TYR  36           1HE      TYR  36 -11.275   0.325  -3.692
  262    HE2  TYR  36           2HE      TYR  36  -8.562  -2.899  -4.516
  263    HH   TYR  36           HH       TYR  36 -11.628  -2.255  -3.513
  264    H    ALA  37           H        ALA  37  -6.198   1.759  -8.662
  265    HA   ALA  37           HA       ALA  37  -5.570   4.354  -8.854
  266    HB1  ALA  37           1HB      ALA  37  -5.096   2.245 -10.970
  267    HB2  ALA  37           2HB      ALA  37  -4.024   2.686  -9.641
  268    HB3  ALA  37           3HB      ALA  37  -4.305   3.821 -10.962
  269    H    GLN  38           H        GLN  38  -7.665   2.652 -11.144
  270    HA   GLN  38           HA       GLN  38  -8.060   4.526 -13.096
  271    HB2  GLN  38           2HB      GLN  38  -9.434   2.236 -12.115
  272    HB3  GLN  38           1HB      GLN  38 -10.629   3.510 -12.373
  273    HG2  GLN  38           2HG      GLN  38  -8.556   2.654 -14.413
  274    HG3  GLN  38           1HG      GLN  38 -10.241   2.137 -14.418
  275   HE21  GLN  38          1HE2      GLN  38 -11.276   4.772 -13.515
  276   HE22  GLN  38          2HE2      GLN  38 -11.113   5.819 -14.841
  277    H    LEU  39           H        LEU  39  -9.610   4.419  -9.904
  278    HA   LEU  39           HA       LEU  39 -11.343   6.594 -10.204
  279    HB2  LEU  39           2HB      LEU  39  -9.998   5.334  -7.828
  280    HB3  LEU  39           1HB      LEU  39 -10.981   6.780  -7.632
  281    HG   LEU  39           HG       LEU  39 -12.125   4.543  -9.241
  282   HD11  LEU  39          1HD1      LEU  39 -11.501   3.160  -7.476
  283   HD12  LEU  39          2HD1      LEU  39 -13.054   3.760  -6.894
  284   HD13  LEU  39          3HD1      LEU  39 -11.555   4.470  -6.296
  285   HD21  LEU  39          3HD2      LEU  39 -13.295   6.403  -7.148
  286   HD22  LEU  39          1HD2      LEU  39 -14.198   5.375  -8.260
  287   HD23  LEU  39          2HD2      LEU  39 -13.272   6.744  -8.878
  288    H    TYR  40           H        TYR  40  -7.893   6.487  -9.630
  289    HA   TYR  40           HA       TYR  40  -7.482   9.083  -8.640
  290    HB2  TYR  40           2HB      TYR  40  -5.755   7.248  -8.805
  291    HB3  TYR  40           1HB      TYR  40  -5.632   7.617 -10.526
  292    HD1  TYR  40           2HD      TYR  40  -5.642   9.410  -7.225
  293    HD2  TYR  40           1HD      TYR  40  -4.018   9.159 -11.194
  294    HE1  TYR  40           2HE      TYR  40  -4.102  11.285  -6.714
  295    HE2  TYR  40           1HE      TYR  40  -2.478  11.032 -10.683
  296    HH   TYR  40           HH       TYR  40  -2.653  12.763  -7.590
  297    H    GLU  41           H        GLU  41  -6.946   8.011 -12.006
  298    HA   GLU  41           HA       GLU  41  -6.638  10.431 -13.230
  299    HB2  GLU  41           2HB      GLU  41  -8.279   8.136 -14.329
  300    HB3  GLU  41           1HB      GLU  41  -7.506   9.411 -15.270
  301    HG2  GLU  41           2HG      GLU  41  -5.710   8.046 -15.393
  302    HG3  GLU  41           1HG      GLU  41  -5.439   8.427 -13.694
  303    H    ASP  42           H        ASP  42  -9.653   8.946 -12.154
  304    HA   ASP  42           HA       ASP  42 -11.337  10.969 -13.316
  305    HB2  ASP  42           2HB      ASP  42 -11.795   8.746 -11.330
  306    HB3  ASP  42           1HB      ASP  42 -13.063   9.889 -11.765
  307    H    SER  43           H        SER  43  -9.673  10.488 -10.290
  308    HA   SER  43           HA       SER  43  -9.178  12.048  -8.653
  309    HB2  SER  43           2HB      SER  43  -9.604  14.278  -8.984
  310    HB3  SER  43           1HB      SER  43  -9.821  13.706 -10.635
  311    HG   SER  43           HG       SER  43 -11.660  14.647  -8.808
  312    H    GLN  44           H        GLN  44 -11.069   9.972  -8.342
  313    HA   GLN  44           HA       GLN  44 -12.821  11.191  -6.307
  314    HB2  GLN  44           2HB      GLN  44 -13.732   8.866  -7.986
  315    HB3  GLN  44           1HB      GLN  44 -14.698   9.952  -6.989
  316    HG2  GLN  44           2HG      GLN  44 -14.085  11.827  -8.530
  317    HG3  GLN  44           1HG      GLN  44 -13.274  10.656  -9.566
  318   HE21  GLN  44          1HE2      GLN  44 -15.113   8.502  -9.470
  319   HE22  GLN  44          2HE2      GLN  44 -16.579   8.999 -10.168
  320    H    PHE  45           H        PHE  45 -10.338  10.109  -5.775
  321    HA   PHE  45           HA       PHE  45 -10.502   7.337  -5.061
  322    HB2  PHE  45           2HB      PHE  45  -8.485   9.354  -5.164
  323    HB3  PHE  45           1HB      PHE  45  -8.481   8.641  -3.551
  324    HD1  PHE  45           1HD      PHE  45  -8.624   7.680  -7.167
  325    HD2  PHE  45           2HD      PHE  45  -7.415   6.581  -3.196
  326    HE1  PHE  45           1HE      PHE  45  -7.496   5.663  -8.069
  327    HE2  PHE  45           2HE      PHE  45  -6.289   4.564  -4.097
  328    HZ   PHE  45           HZ       PHE  45  -6.332   4.103  -6.532
  329    HA   PRO  46           HA       PRO  46 -11.068   9.158  -0.658
  330    HB2  PRO  46           2HB      PRO  46 -12.608  11.616  -1.096
  331    HB3  PRO  46           1HB      PRO  46 -11.146  11.370  -0.125
  332    HG2  PRO  46           2HG      PRO  46 -11.195  12.765  -2.453
  333    HG3  PRO  46           1HG      PRO  46  -9.765  11.930  -1.830
  334    HD2  PRO  46           2HD      PRO  46 -11.599  11.123  -4.044
  335    HD3  PRO  46           1HD      PRO  46  -9.856  10.822  -3.851
  336    H    ILE  47           H        ILE  47 -12.543   7.718  -0.111
  337    HA   ILE  47           HA       ILE  47 -15.349   8.283  -0.164
  338    HB   ILE  47           HB       ILE  47 -15.880   6.104  -1.442
  339   HG12  ILE  47          2HG1      ILE  47 -13.349   6.569  -2.945
  340   HG13  ILE  47          1HG1      ILE  47 -13.233   5.697  -1.415
  341   HG21  ILE  47          1HG2      ILE  47 -16.262   7.268  -3.401
  342   HG22  ILE  47          2HG2      ILE  47 -14.700   8.076  -3.359
  343   HG23  ILE  47          3HG2      ILE  47 -16.004   8.624  -2.306
  344   HD11  ILE  47          3HD1      ILE  47 -14.937   4.096  -2.190
  345   HD12  ILE  47          1HD1      ILE  47 -13.575   4.144  -3.309
  346   HD13  ILE  47          2HD1      ILE  47 -15.078   4.973  -3.713
  347    H    ASN  48           H        ASN  48 -16.532   6.092   0.509
  348    HA   ASN  48           HA       ASN  48 -15.553   5.381   3.037
  349    HB2  ASN  48           2HB      ASN  48 -17.213   3.495   2.880
  350    HB3  ASN  48           1HB      ASN  48 -17.886   5.088   2.531
  351   HD21  ASN  48          1HD2      ASN  48 -19.552   3.616   1.342
  352   HD22  ASN  48          2HD2      ASN  48 -19.198   3.218  -0.270
  353    H    ILE  49           H        ILE  49 -13.351   4.814   2.767
  354    HA   ILE  49           HA       ILE  49 -12.280   2.936   1.040
  355    HB   ILE  49           HB       ILE  49 -11.500   3.692   3.853
  356   HG12  ILE  49          2HG1      ILE  49 -10.216   4.300   1.171
  357   HG13  ILE  49          1HG1      ILE  49 -11.373   5.373   1.957
  358   HG21  ILE  49          1HG2      ILE  49  -9.236   2.640   2.834
  359   HG22  ILE  49          2HG2      ILE  49 -10.409   1.626   1.999
  360   HG23  ILE  49          3HG2      ILE  49 -10.387   1.680   3.762
  361   HD11  ILE  49          3HD1      ILE  49  -9.387   4.647   3.887
  362   HD12  ILE  49          1HD1      ILE  49  -9.720   6.242   3.210
  363   HD13  ILE  49          2HD1      ILE  49  -8.566   5.170   2.419
  364    H    VAL  50           H        VAL  50 -13.091   2.284   4.457
  365    HA   VAL  50           HA       VAL  50 -12.748  -0.374   4.639
  366    HB   VAL  50           HB       VAL  50 -14.993   1.328   5.687
  367   HG11  VAL  50          1HG1      VAL  50 -14.618  -1.651   5.872
  368   HG12  VAL  50          2HG1      VAL  50 -16.105  -0.733   5.639
  369   HG13  VAL  50          3HG1      VAL  50 -15.331  -0.769   7.223
  370   HG21  VAL  50          3HG2      VAL  50 -12.648   1.548   6.562
  371   HG22  VAL  50          1HG2      VAL  50 -12.715  -0.147   7.045
  372   HG23  VAL  50          2HG2      VAL  50 -13.802   1.025   7.788
  373    H    ALA  51           H        ALA  51 -15.591   1.143   3.143
  374    HA   ALA  51           HA       ALA  51 -17.007  -1.202   2.559
  375    HB1  ALA  51           1HB      ALA  51 -17.841   1.186   2.441
  376    HB2  ALA  51           2HB      ALA  51 -18.350   0.127   1.125
  377    HB3  ALA  51           3HB      ALA  51 -17.052   1.291   0.867
  378    H    VAL  52           H        VAL  52 -14.328   0.301   0.803
  379    HA   VAL  52           HA       VAL  52 -14.798  -1.419  -1.499
  380    HB   VAL  52           HB       VAL  52 -13.310  -0.135  -2.659
  381   HG11  VAL  52          1HG1      VAL  52 -13.657   2.138  -2.108
  382   HG12  VAL  52          2HG1      VAL  52 -13.735   1.792  -0.383
  383   HG13  VAL  52          3HG1      VAL  52 -15.055   1.296  -1.441
  384   HG21  VAL  52          3HG2      VAL  52 -11.267  -0.645  -1.511
  385   HG22  VAL  52          1HG2      VAL  52 -11.791   0.200  -0.059
  386   HG23  VAL  52          2HG2      VAL  52 -11.400   1.112  -1.506
  387    H    LYS  53           H        LYS  53 -12.458  -1.141   1.139
  388    HA   LYS  53           HA       LYS  53 -10.606  -3.054   0.421
  389    HB2  LYS  53           2HB      LYS  53 -11.752  -2.754   3.201
  390    HB3  LYS  53           1HB      LYS  53 -10.131  -3.299   2.762
  391    HG2  LYS  53           2HG      LYS  53 -10.189  -0.905   1.482
  392    HG3  LYS  53           1HG      LYS  53 -11.243  -0.547   2.848
  393    HD2  LYS  53           2HD      LYS  53  -8.458  -1.727   3.071
  394    HD3  LYS  53           1HD      LYS  53  -8.865  -0.035   3.345
  395    HE2  LYS  53           2HE      LYS  53  -9.353  -0.542   5.480
  396    HE3  LYS  53           1HE      LYS  53 -10.686  -1.537   4.899
  397    HZ1  LYS  53           3HZ      LYS  53  -8.987  -2.691   6.321
  398    HZ2  LYS  53           1HZ      LYS  53  -7.897  -2.519   5.033
  399    HZ3  LYS  53           2HZ      LYS  53  -9.317  -3.429   4.826
  400    H    ASN  54           H        ASN  54 -13.923  -3.447   1.148
  401    HA   ASN  54           HA       ASN  54 -13.713  -6.307   1.706
  402    HB2  ASN  54           2HB      ASN  54 -15.975  -4.319   1.639
  403    HB3  ASN  54           1HB      ASN  54 -16.291  -6.054   1.672
  404   HD21  ASN  54          1HD2      ASN  54 -13.720  -4.159   3.341
  405   HD22  ASN  54          2HD2      ASN  54 -14.169  -4.656   4.902
  406    H    ASP  55           H        ASP  55 -14.978  -4.122  -0.766
  407    HA   ASP  55           HA       ASP  55 -15.718  -6.320  -2.521
  408    HB2  ASP  55           2HB      ASP  55 -17.040  -4.795  -3.497
  409    HB3  ASP  55           1HB      ASP  55 -16.545  -3.672  -2.230
  410    H    HIS  56           H        HIS  56 -12.881  -4.707  -1.794
  411    HA   HIS  56           HA       HIS  56 -11.583  -4.169  -4.145
  412    HB2  HIS  56           2HB      HIS  56  -9.618  -4.274  -2.949
  413    HB3  HIS  56           1HB      HIS  56 -10.773  -4.195  -1.620
  414    HD2  HIS  56           2HD      HIS  56 -11.607  -7.116  -0.953
  415    HE1  HIS  56           1HE      HIS  56  -7.618  -8.346  -1.573
  416    HE2  HIS  56           2HE      HIS  56  -9.851  -9.007  -0.560
  417    H    ASP  57           H        ASP  57 -12.219  -7.339  -2.730
  418    HA   ASP  57           HA       ASP  57 -12.145  -8.662  -5.227
  419    HB2  ASP  57           2HB      ASP  57  -9.592  -8.284  -3.941
  420    HB3  ASP  57           1HB      ASP  57  -9.986  -9.998  -4.004
  421    H    PHE  58           H        PHE  58 -10.796  -9.840  -2.163
  422    HA   PHE  58           HA       PHE  58 -13.312 -11.188  -1.515
  423    HB2  PHE  58           2HB      PHE  58 -11.051 -13.008  -1.231
  424    HB3  PHE  58           1HB      PHE  58 -12.631 -13.286  -1.962
  425    HD1  PHE  58           1HD      PHE  58 -13.055 -12.426  -4.324
  426    HD2  PHE  58           2HD      PHE  58  -9.136 -12.615  -2.573
  427    HE1  PHE  58           1HE      PHE  58 -12.038 -12.275  -6.581
  428    HE2  PHE  58           2HE      PHE  58  -8.120 -12.463  -4.830
  429    HZ   PHE  58           HZ       PHE  58  -9.571 -12.294  -6.835
  430    H    LEU  59           H        LEU  59 -11.550  -9.041  -0.416
  431    HA   LEU  59           HA       LEU  59 -10.727  -8.335   1.605
  432    HB2  LEU  59           2HB      LEU  59 -13.060  -9.122   2.211
  433    HB3  LEU  59           1HB      LEU  59 -12.315 -10.615   2.780
  434    HG   LEU  59           HG       LEU  59 -10.723  -8.865   4.047
  435   HD11  LEU  59          1HD1      LEU  59 -13.402  -7.454   3.832
  436   HD12  LEU  59          2HD1      LEU  59 -11.900  -6.906   3.084
  437   HD13  LEU  59          3HD1      LEU  59 -12.047  -6.951   4.842
  438   HD21  LEU  59          3HD2      LEU  59 -13.404 -10.011   4.792
  439   HD22  LEU  59          1HD2      LEU  59 -12.539  -8.990   5.941
  440   HD23  LEU  59          2HD2      LEU  59 -11.801 -10.481   5.356
  441    H    GLU  60           H        GLU  60  -8.598  -8.689   1.673
  442    HA   GLU  60           HA       GLU  60  -7.655 -11.319   2.656
  443    HB2  GLU  60           2HB      GLU  60  -6.239  -9.400   0.789
  444    HB3  GLU  60           1HB      GLU  60  -5.573 -10.914   1.404
  445    HG2  GLU  60           2HG      GLU  60  -7.367 -12.177   0.310
  446    HG3  GLU  60           1HG      GLU  60  -8.098 -10.677  -0.259
  447    H    LYS  61           H        LYS  61  -7.821 -10.555   4.815
  448    HA   LYS  61           HA       LYS  61  -7.048  -8.324   6.058
  449    HB2  LYS  61           2HB      LYS  61  -7.138 -11.096   6.792
  450    HB3  LYS  61           1HB      LYS  61  -5.738 -10.339   7.553
  451    HG2  LYS  61           2HG      LYS  61  -8.531  -9.163   7.640
  452    HG3  LYS  61           1HG      LYS  61  -7.861 -10.185   8.909
  453    HD2  LYS  61           2HD      LYS  61  -6.603  -8.504   9.742
  454    HD3  LYS  61           1HD      LYS  61  -6.042  -8.024   8.142
  455    HE2  LYS  61           2HE      LYS  61  -8.811  -7.378   9.183
  456    HE3  LYS  61           1HE      LYS  61  -7.439  -6.283   9.353
  457    HZ1  LYS  61           3HZ      LYS  61  -8.416  -7.369   6.769
  458    HZ2  LYS  61           1HZ      LYS  61  -7.192  -6.215   6.984
  459    HZ3  LYS  61           2HZ      LYS  61  -8.800  -5.828   7.374
  460    H    ASP  62           H        ASP  62  -4.848 -10.497   4.425
  461    HA   ASP  62           HA       ASP  62  -2.483  -9.189   5.497
  462    HB2  ASP  62           2HB      ASP  62  -1.609 -11.178   4.958
  463    HB3  ASP  62           1HB      ASP  62  -3.068 -11.627   4.077
  464    H    LEU  63           H        LEU  63  -4.084  -9.480   2.336
  465    HA   LEU  63           HA       LEU  63  -2.360  -7.438   1.186
  466    HB2  LEU  63           2HB      LEU  63  -3.980  -9.561   0.185
  467    HB3  LEU  63           1HB      LEU  63  -4.555  -8.056  -0.528
  468    HG   LEU  63           HG       LEU  63  -1.659  -8.966  -0.484
  469   HD11  LEU  63          1HD1      LEU  63  -3.348 -10.241  -1.967
  470   HD12  LEU  63          2HD1      LEU  63  -1.910  -9.589  -2.753
  471   HD13  LEU  63          3HD1      LEU  63  -3.454  -8.748  -2.901
  472   HD21  LEU  63          3HD2      LEU  63  -1.913  -7.054  -2.437
  473   HD22  LEU  63          1HD2      LEU  63  -1.337  -6.731  -0.801
  474   HD23  LEU  63          2HD2      LEU  63  -3.028  -6.449  -1.213
  475    H    VAL  64           H        VAL  64  -4.943  -7.326   3.184
  476    HA   VAL  64           HA       VAL  64  -6.343  -5.116   1.888
  477    HB   VAL  64           HB       VAL  64  -6.771  -6.645   4.452
  478   HG11  VAL  64          1HG1      VAL  64  -8.919  -5.163   4.488
  479   HG12  VAL  64          2HG1      VAL  64  -7.968  -4.052   3.502
  480   HG13  VAL  64          3HG1      VAL  64  -7.418  -4.489   5.119
  481   HG21  VAL  64          3HG2      VAL  64  -8.521  -7.641   3.333
  482   HG22  VAL  64          1HG2      VAL  64  -7.497  -7.281   1.944
  483   HG23  VAL  64          2HG2      VAL  64  -8.841  -6.214   2.349
  484    H    GLU  65           H        GLU  65  -3.959  -5.691   4.360
  485    HA   GLU  65           HA       GLU  65  -4.135  -3.283   5.789
  486    HB2  GLU  65           2HB      GLU  65  -2.142  -5.416   5.444
  487    HB3  GLU  65           1HB      GLU  65  -1.448  -3.838   5.810
  488    HG2  GLU  65           2HG      GLU  65  -1.923  -5.052   7.884
  489    HG3  GLU  65           1HG      GLU  65  -2.956  -3.630   7.761
  490    HA   PRO  66           HA       PRO  66  -0.771  -1.402   2.834
  491    HB2  PRO  66           2HB      PRO  66  -0.702  -2.711   0.350
  492    HB3  PRO  66           1HB      PRO  66   0.525  -2.830   1.624
  493    HG2  PRO  66           2HG      PRO  66  -1.670  -4.692   0.929
  494    HG3  PRO  66           1HG      PRO  66  -0.055  -5.031   1.574
  495    HD2  PRO  66           2HD      PRO  66  -2.268  -5.168   3.118
  496    HD3  PRO  66           1HD      PRO  66  -0.700  -4.647   3.769
  497    H    LEU  67           H        LEU  67  -3.523  -3.046   1.304
  498    HA   LEU  67           HA       LEU  67  -4.193  -1.190  -0.648
  499    HB2  LEU  67           2HB      LEU  67  -5.256  -3.473  -0.161
  500    HB3  LEU  67           1HB      LEU  67  -6.258  -2.625   1.017
  501    HG   LEU  67           HG       LEU  67  -6.538  -0.975  -1.117
  502   HD11  LEU  67          1HD1      LEU  67  -5.142  -2.586  -2.485
  503   HD12  LEU  67          2HD1      LEU  67  -6.741  -2.257  -3.150
  504   HD13  LEU  67          3HD1      LEU  67  -6.437  -3.767  -2.291
  505   HD21  LEU  67          3HD2      LEU  67  -8.124  -3.500  -0.549
  506   HD22  LEU  67          1HD2      LEU  67  -8.707  -2.126  -1.489
  507   HD23  LEU  67          2HD2      LEU  67  -8.360  -1.935   0.228
  508    H    CYS  68           H        CYS  68  -5.179  -1.277   2.768
  509    HA   CYS  68           HA       CYS  68  -6.766   1.089   2.639
  510    HB2  CYS  68           2HB      CYS  68  -6.794  -0.784   4.421
  511    HB3  CYS  68           1HB      CYS  68  -5.431   0.074   5.139
  512    HG   CYS  68           HG       CYS  68  -7.046   2.226   5.244
  513    H    ARG  69           H        ARG  69  -3.395   0.505   2.778
  514    HA   ARG  69           HA       ARG  69  -2.658   2.998   4.028
  515    HB2  ARG  69           2HB      ARG  69  -1.300   0.790   3.918
  516    HB3  ARG  69           1HB      ARG  69  -0.842   1.334   2.304
  517    HG2  ARG  69           2HG      ARG  69  -0.416   3.616   3.703
  518    HG3  ARG  69           1HG      ARG  69  -0.070   2.420   4.954
  519    HD2  ARG  69           2HD      ARG  69   1.304   2.838   2.314
  520    HD3  ARG  69           1HD      ARG  69   2.013   2.673   3.917
  521    HE   ARG  69           HE       ARG  69   1.399   0.540   2.110
  522   HH11  ARG  69          1HH2      ARG  69   1.483   1.470   5.444
  523   HH12  ARG  69          2HH2      ARG  69   1.724  -0.140   6.031
  524   HH21  ARG  69          1HH1      ARG  69   1.713  -1.576   2.873
  525   HH22  ARG  69          2HH1      ARG  69   1.854  -1.865   4.575
  526    H    ARG  70           H        ARG  70  -2.637   1.711   0.709
  527    HA   ARG  70           HA       ARG  70  -1.663   4.091  -0.499
  528    HB2  ARG  70           2HB      ARG  70  -3.393   1.996  -1.821
  529    HB3  ARG  70           1HB      ARG  70  -2.229   3.063  -2.591
  530    HG2  ARG  70           2HG      ARG  70  -1.697   0.695  -0.809
  531    HG3  ARG  70           1HG      ARG  70  -1.103   0.991  -2.437
  532    HD2  ARG  70           2HD      ARG  70   0.144   3.002  -1.455
  533    HD3  ARG  70           1HD      ARG  70  -0.246   2.340   0.129
  534    HE   ARG  70           HE       ARG  70   1.772   1.383  -1.651
  535   HH11  ARG  70          1HH2      ARG  70  -0.622   0.426   0.657
  536   HH12  ARG  70          2HH2      ARG  70   0.192  -1.037   1.101
  537   HH21  ARG  70          1HH1      ARG  70   2.841  -0.539  -1.080
  538   HH22  ARG  70          2HH1      ARG  70   2.152  -1.584   0.117
  539    H    LEU  71           H        LEU  71  -4.970   2.712  -0.569
  540    HA   LEU  71           HA       LEU  71  -6.259   4.842  -1.751
  541    HB2  LEU  71           2HB      LEU  71  -7.273   3.051   0.471
  542    HB3  LEU  71           1HB      LEU  71  -8.296   4.090  -0.520
  543    HG   LEU  71           HG       LEU  71  -6.424   2.124  -1.826
  544   HD11  LEU  71          1HD1      LEU  71  -9.207   1.529  -0.781
  545   HD12  LEU  71          2HD1      LEU  71  -7.705   0.828  -0.179
  546   HD13  LEU  71          3HD1      LEU  71  -8.256   0.462  -1.815
  547   HD21  LEU  71          3HD2      LEU  71  -9.134   2.565  -2.889
  548   HD22  LEU  71          1HD2      LEU  71  -7.580   2.640  -3.719
  549   HD23  LEU  71          2HD2      LEU  71  -8.167   4.037  -2.817
  550    H    ASN  72           H        ASN  72  -5.594   4.371   1.714
  551    HA   ASN  72           HA       ASN  72  -6.812   6.660   2.723
  552    HB2  ASN  72           2HB      ASN  72  -5.960   5.053   4.261
  553    HB3  ASN  72           1HB      ASN  72  -4.330   5.185   3.602
  554   HD21  ASN  72          1HD2      ASN  72  -3.167   6.088   5.344
  555   HD22  ASN  72          2HD2      ASN  72  -3.597   7.537   6.116
  556    H    THR  73           H        THR  73  -3.642   6.278   1.209
  557    HA   THR  73           HA       THR  73  -2.796   8.965   1.746
  558    HB   THR  73           HB       THR  73  -1.770   7.101  -0.403
  559    HG1  THR  73           1HG      THR  73  -0.171   6.966   1.566
  560   HG21  THR  73          3HG2      THR  73  -1.152   9.762   0.288
  561   HG22  THR  73          1HG2      THR  73  -0.232   8.697  -0.774
  562   HG23  THR  73          2HG2      THR  73   0.155   8.778   0.945
  563    H    LEU  74           H        LEU  74  -3.561   7.372  -1.361
  564    HA   LEU  74           HA       LEU  74  -3.694   9.606  -2.959
  565    HB2  LEU  74           2HB      LEU  74  -5.112   6.969  -3.008
  566    HB3  LEU  74           1HB      LEU  74  -5.592   8.214  -4.158
  567    HG   LEU  74           HG       LEU  74  -2.721   7.320  -3.768
  568   HD11  LEU  74          1HD1      LEU  74  -3.001   5.980  -5.793
  569   HD12  LEU  74          2HD1      LEU  74  -4.690   6.474  -5.914
  570   HD13  LEU  74          3HD1      LEU  74  -4.162   5.457  -4.573
  571   HD21  LEU  74          3HD2      LEU  74  -3.218   8.316  -6.368
  572   HD22  LEU  74          1HD2      LEU  74  -2.290   9.096  -5.090
  573   HD23  LEU  74          2HD2      LEU  74  -4.008   9.442  -5.267
  574    H    ASN  75           H        ASN  75  -6.170   8.329  -0.785
  575    HA   ASN  75           HA       ASN  75  -8.302   9.992  -1.565
  576    HB2  ASN  75           2HB      ASN  75  -7.632   8.738   1.105
  577    HB3  ASN  75           1HB      ASN  75  -9.144   9.579   0.775
  578   HD21  ASN  75          1HD2      ASN  75  -9.681   7.070   1.402
  579   HD22  ASN  75          2HD2      ASN  75  -9.925   6.082   0.047
  580    H    LYS  76           H        LYS  76  -5.465  10.593   0.360
  581    HA   LYS  76           HA       LYS  76  -6.487  13.118   1.395
  582    HB2  LYS  76           2HB      LYS  76  -3.756  11.832   1.644
  583    HB3  LYS  76           1HB      LYS  76  -4.307  13.263   2.511
  584    HG2  LYS  76           2HG      LYS  76  -6.167  11.018   2.758
  585    HG3  LYS  76           1HG      LYS  76  -4.564  10.647   3.395
  586    HD2  LYS  76           2HD      LYS  76  -4.621  12.600   4.833
  587    HD3  LYS  76           1HD      LYS  76  -6.138  13.136   4.109
  588    HE2  LYS  76           2HE      LYS  76  -6.577  12.028   6.253
  589    HE3  LYS  76           1HE      LYS  76  -7.239  11.068   4.929
  590    HZ1  LYS  76           3HZ      LYS  76  -6.095   9.420   5.894
  591    HZ2  LYS  76           1HZ      LYS  76  -5.066  10.469   6.739
  592    HZ3  LYS  76           2HZ      LYS  76  -4.750  10.100   5.110
  593    H    CYS  77           H        CYS  77  -4.076  11.940  -0.919
  594    HA   CYS  77           HA       CYS  77  -3.180  14.585  -1.630
  595    HB2  CYS  77           2HB      CYS  77  -1.543  12.927  -1.927
  596    HB3  CYS  77           1HB      CYS  77  -2.676  11.819  -2.703
  597    HG   CYS  77           HG       CYS  77  -1.614  14.414  -4.099
  598    H    ALA  78           H        ALA  78  -5.729  12.474  -2.607
  599    HA   ALA  78           HA       ALA  78  -6.143  13.331  -5.254
  600    HB1  ALA  78           1HB      ALA  78  -7.436  11.490  -4.760
  601    HB2  ALA  78           2HB      ALA  78  -8.642  12.760  -4.549
  602    HB3  ALA  78           3HB      ALA  78  -7.833  12.070  -3.142
  603    H    SER  79           H        SER  79  -6.628  14.933  -2.253
  604    HA   SER  79           HA       SER  79  -8.566  16.836  -3.294
  605    HB2  SER  79           2HB      SER  79  -7.161  17.451  -0.773
  606    HB3  SER  79           1HB      SER  79  -8.886  17.449  -1.134
  607    HG   SER  79           HG       SER  79  -8.249  14.980  -1.327
  608    H    MET  80           H        MET  80  -5.122  16.706  -2.532
  609    HA   MET  80           HA       MET  80  -4.714  19.106  -4.162
  610    HB2  MET  80           2HB      MET  80  -3.750  18.814  -1.308
  611    HB3  MET  80           1HB      MET  80  -3.178  20.051  -2.428
  612    HG2  MET  80           2HG      MET  80  -5.566  20.785  -2.726
  613    HG3  MET  80           1HG      MET  80  -6.017  19.662  -1.443
  614    HE1  MET  80           3HE      MET  80  -5.069  23.384  -2.062
  615    HE2  MET  80           1HE      MET  80  -3.746  22.342  -2.599
  616    HE3  MET  80           2HE      MET  80  -3.508  23.451  -1.250
  617    H    LYS  81           H        LYS  81  -2.988  18.899  -5.452
  618    HA   LYS  81           HA       LYS  81  -1.403  16.485  -5.306
  619    HB2  LYS  81           2HB      LYS  81  -2.136  17.344  -7.478
  620    HB3  LYS  81           1HB      LYS  81  -1.259  18.846  -7.196
  621    HG2  LYS  81           2HG      LYS  81   0.361  16.401  -6.850
  622    HG3  LYS  81           1HG      LYS  81  -0.217  16.658  -8.493
  623    HD2  LYS  81           2HD      LYS  81   1.024  18.956  -7.000
  624    HD3  LYS  81           1HD      LYS  81   2.062  17.729  -7.719
  625    HE2  LYS  81           2HE      LYS  81   1.351  19.837  -9.134
  626    HE3  LYS  81           1HE      LYS  81   1.417  18.247  -9.890
  627    HZ1  LYS  81           3HZ      LYS  81  -1.046  18.163  -9.029
  628    HZ2  LYS  81           1HZ      LYS  81  -0.656  18.894 -10.507
  629    HZ3  LYS  81           2HZ      LYS  81  -0.907  19.853  -9.129
  Start of MODEL    8
    1    H1   MET   1           1HT      MET   1  -4.283  -7.260  37.584
    2    H2   MET   1           2HT      MET   1  -5.371  -6.000  37.921
    3    H3   MET   1           3HT      MET   1  -4.015  -5.715  36.939
    4    HA   MET   1           HA       MET   1  -5.381  -7.818  35.766
    5    HB2  MET   1           2HB      MET   1  -7.182  -5.498  36.529
    6    HB3  MET   1           1HB      MET   1  -7.603  -6.790  35.405
    7    HG2  MET   1           2HG      MET   1  -6.639  -8.027  37.777
    8    HG3  MET   1           1HG      MET   1  -7.795  -6.790  38.268
    9    HE1  MET   1           2HE      MET   1  -8.573 -10.346  38.409
   10    HE2  MET   1           3HE      MET   1 -10.092  -9.499  38.690
   11    HE3  MET   1           1HE      MET   1  -8.573  -8.816  39.283
   12    H    HIS   2           H        HIS   2  -4.130  -4.667  36.043
   13    HA   HIS   2           HA       HIS   2  -3.575  -3.026  34.506
   14    HB2  HIS   2           2HB      HIS   2  -2.896  -5.578  33.030
   15    HB3  HIS   2           1HB      HIS   2  -2.364  -3.973  32.529
   16    HD2  HIS   2           2HD      HIS   2   0.170  -3.540  33.508
   17    HE1  HIS   2           1HE      HIS   2  -0.199  -5.653  37.143
   18    HE2  HIS   2           2HE      HIS   2   1.369  -4.259  35.714
   19    H    HIS   3           H        HIS   3  -5.708  -2.222  34.148
   20    HA   HIS   3           HA       HIS   3  -7.341  -3.294  32.026
   21    HB2  HIS   3           2HB      HIS   3  -8.760  -1.318  32.456
   22    HB3  HIS   3           1HB      HIS   3  -8.376  -2.181  33.944
   23    HD2  HIS   3           2HD      HIS   3  -6.345  -0.857  35.568
   24    HE1  HIS   3           1HE      HIS   3  -6.746   2.852  33.593
   25    HE2  HIS   3           2HE      HIS   3  -5.764   1.688  35.626
   26    H    HIS   4           H        HIS   4  -5.484  -3.189  30.454
   27    HA   HIS   4           HA       HIS   4  -5.008  -0.502  29.370
   28    HB2  HIS   4           2HB      HIS   4  -3.621  -3.117  29.237
   29    HB3  HIS   4           1HB      HIS   4  -3.555  -2.128  27.777
   30    HD2  HIS   4           2HD      HIS   4  -2.930  -1.331  31.646
   31    HE1  HIS   4           1HE      HIS   4  -0.127   0.780  29.300
   32    HE2  HIS   4           2HE      HIS   4  -0.893   0.303  31.673
   33    H    HIS   5           H        HIS   5  -5.094  -0.246  26.987
   34    HA   HIS   5           HA       HIS   5  -6.680  -2.044  25.416
   35    HB2  HIS   5           2HB      HIS   5  -8.346  -0.815  26.961
   36    HB3  HIS   5           1HB      HIS   5  -8.003   0.603  25.969
   37    HD2  HIS   5           2HD      HIS   5  -8.831   0.346  23.211
   38    HE1  HIS   5           1HE      HIS   5 -11.159  -3.116  23.861
   39    HE2  HIS   5           2HE      HIS   5 -10.609  -1.276  22.200
   40    H    HIS   6           H        HIS   6  -4.906   0.861  25.902
   41    HA   HIS   6           HA       HIS   6  -3.706   2.188  24.457
   42    HB2  HIS   6           2HB      HIS   6  -3.477  -0.289  23.403
   43    HB3  HIS   6           1HB      HIS   6  -4.301   0.530  22.076
   44    HD2  HIS   6           2HD      HIS   6  -2.837   3.384  21.967
   45    HE1  HIS   6           1HE      HIS   6   0.820   1.277  22.110
   46    HE2  HIS   6           2HE      HIS   6  -0.261   3.508  21.557
   47    H    HIS   7           H        HIS   7  -4.365   4.073  23.654
   48    HA   HIS   7           HA       HIS   7  -6.689   4.132  21.845
   49    HB2  HIS   7           2HB      HIS   7  -7.074   6.417  23.273
   50    HB3  HIS   7           1HB      HIS   7  -7.910   4.898  23.596
   51    HD2  HIS   7           2HD      HIS   7  -4.413   6.405  24.820
   52    HE1  HIS   7           1HE      HIS   7  -6.255   4.345  28.011
   53    HE2  HIS   7           2HE      HIS   7  -4.224   5.707  27.329
   54    H    SER   8           H        SER   8  -5.621   4.754  20.036
   55    HA   SER   8           HA       SER   8  -3.670   6.935  20.183
   56    HB2  SER   8           2HB      SER   8  -4.512   5.187  17.859
   57    HB3  SER   8           1HB      SER   8  -3.222   6.385  17.822
   58    HG   SER   8           HG       SER   8  -2.195   5.192  19.489
   59    H    SER   9           H        SER   9  -6.240   6.160  17.835
   60    HA   SER   9           HA       SER   9  -7.608   7.560  16.615
   61    HB2  SER   9           2HB      SER   9  -7.956   9.166  19.125
   62    HB3  SER   9           1HB      SER   9  -9.158   8.714  17.920
   63    HG   SER   9           HG       SER   9  -9.559   7.105  19.203
   64    H    GLY  10           H        GLY  10  -5.192   8.251  15.909
   65    HA2  GLY  10           2HA      GLY  10  -5.364  11.026  15.306
   66    HA3  GLY  10           1HA      GLY  10  -4.146  10.746  16.547
   67    H    LEU  11           H        LEU  11  -4.692  10.902  13.259
   68    HA   LEU  11           HA       LEU  11  -2.588   9.026  12.501
   69    HB2  LEU  11           2HB      LEU  11  -4.750  10.477  11.134
   70    HB3  LEU  11           1HB      LEU  11  -3.246  10.414  10.219
   71    HG   LEU  11           HG       LEU  11  -4.792   8.474   9.781
   72   HD11  LEU  11          1HD1      LEU  11  -2.653   6.939  10.903
   73   HD12  LEU  11          2HD1      LEU  11  -1.985   8.460  10.312
   74   HD13  LEU  11          3HD1      LEU  11  -2.892   7.413   9.221
   75   HD21  LEU  11          3HD2      LEU  11  -5.169   8.497  12.493
   76   HD22  LEU  11          1HD2      LEU  11  -4.016   7.174  12.319
   77   HD23  LEU  11          2HD2      LEU  11  -5.551   7.127  11.452
   78    H    VAL  12           H        VAL  12  -0.747   9.707  11.236
   79    HA   VAL  12           HA       VAL  12   0.029  12.531  11.615
   80    HB   VAL  12           HB       VAL  12   1.104  11.275  13.399
   81   HG11  VAL  12          1HG1      VAL  12   1.163   9.221  11.466
   82   HG12  VAL  12          2HG1      VAL  12   1.783   9.147  13.116
   83   HG13  VAL  12          3HG1      VAL  12   2.850   9.620  11.792
   84   HG21  VAL  12          3HG2      VAL  12   2.368  12.920  11.613
   85   HG22  VAL  12          1HG2      VAL  12   3.398  11.490  11.545
   86   HG23  VAL  12          2HG2      VAL  12   3.116  12.303  13.085
   87    HA   PRO  13           HA       PRO  13   0.442  11.079   7.183
   88    HB2  PRO  13           2HB      PRO  13   0.095  14.028   6.896
   89    HB3  PRO  13           1HB      PRO  13  -0.657  12.707   5.981
   90    HG2  PRO  13           2HG      PRO  13  -2.008  14.090   7.820
   91    HG3  PRO  13           1HG      PRO  13  -2.283  12.359   7.557
   92    HD2  PRO  13           2HD      PRO  13  -0.868  13.720   9.805
   93    HD3  PRO  13           1HD      PRO  13  -1.777  12.192   9.801
   94    H    ARG  14           H        ARG  14   2.237  11.301   5.837
   95    HA   ARG  14           HA       ARG  14   4.546  12.644   7.050
   96    HB2  ARG  14           2HB      ARG  14   4.201  10.185   5.725
   97    HB3  ARG  14           1HB      ARG  14   5.136  11.193   4.621
   98    HG2  ARG  14           2HG      ARG  14   6.714  10.076   6.051
   99    HG3  ARG  14           1HG      ARG  14   6.650  11.756   6.577
  100    HD2  ARG  14           2HD      ARG  14   6.206  10.972   8.645
  101    HD3  ARG  14           1HD      ARG  14   4.619  10.519   8.031
  102    HE   ARG  14           HE       ARG  14   6.305   8.438   7.331
  103   HH11  ARG  14          1HH2      ARG  14   5.314  10.072  10.217
  104   HH12  ARG  14          2HH2      ARG  14   5.472   8.675  11.228
  105   HH21  ARG  14          1HH1      ARG  14   6.512   6.600   8.650
  106   HH22  ARG  14          2HH1      ARG  14   6.149   6.710  10.341
  107    H    GLY  15           H        GLY  15   6.147  13.127   4.919
  108    HA2  GLY  15           2HA      GLY  15   4.715  15.314   3.548
  109    HA3  GLY  15           1HA      GLY  15   6.452  15.254   3.836
  110    H    SER  16           H        SER  16   5.542  12.208   2.963
  111    HA   SER  16           HA       SER  16   6.494  12.623   0.220
  112    HB2  SER  16           2HB      SER  16   6.276   9.937   0.462
  113    HB3  SER  16           1HB      SER  16   7.707  10.843   0.945
  114    HG   SER  16           HG       SER  16   5.729  10.808   2.838
  115    H    GLN  17           H        GLN  17   3.647  13.006   1.462
  116    HA   GLN  17           HA       GLN  17   1.771  11.260   0.559
  117    HB2  GLN  17           2HB      GLN  17   1.874  14.169   0.933
  118    HB3  GLN  17           1HB      GLN  17   0.662  13.648  -0.237
  119    HG2  GLN  17           2HG      GLN  17   0.942  12.335   2.469
  120    HG3  GLN  17           1HG      GLN  17  -0.084  13.744   2.216
  121   HE21  GLN  17          1HE2      GLN  17  -0.105  12.069  -0.675
  122   HE22  GLN  17          2HE2      GLN  17  -1.494  11.125  -0.427
  123    H    GLU  18           H        GLU  18   3.954  13.114  -1.377
  124    HA   GLU  18           HA       GLU  18   2.468  12.865  -3.836
  125    HB2  GLU  18           2HB      GLU  18   5.355  13.610  -3.309
  126    HB3  GLU  18           1HB      GLU  18   4.556  13.714  -4.877
  127    HG2  GLU  18           2HG      GLU  18   3.382  15.074  -2.459
  128    HG3  GLU  18           1HG      GLU  18   4.644  15.855  -3.409
  129    H    ILE  19           H        ILE  19   5.721  11.645  -3.022
  130    HA   ILE  19           HA       ILE  19   5.889   9.724  -5.008
  131    HB   ILE  19           HB       ILE  19   7.117   9.956  -2.279
  132   HG12  ILE  19          2HG1      ILE  19   9.162  10.206  -3.635
  133   HG13  ILE  19          1HG1      ILE  19   8.230   9.912  -5.104
  134   HG21  ILE  19          1HG2      ILE  19   7.007   7.607  -2.406
  135   HG22  ILE  19          2HG2      ILE  19   8.577   7.971  -3.122
  136   HG23  ILE  19          3HG2      ILE  19   7.199   7.601  -4.160
  137   HD11  ILE  19          3HD1      ILE  19   7.547  12.145  -3.184
  138   HD12  ILE  19          1HD1      ILE  19   6.989  11.932  -4.842
  139   HD13  ILE  19          2HD1      ILE  19   8.668  12.366  -4.527
  140    H    GLU  20           H        GLU  20   4.334   9.542  -1.856
  141    HA   GLU  20           HA       GLU  20   3.828   6.742  -1.896
  142    HB2  GLU  20           2HB      GLU  20   2.671   9.067  -0.379
  143    HB3  GLU  20           1HB      GLU  20   1.955   7.461  -0.247
  144    HG2  GLU  20           2HG      GLU  20   4.068   6.521   0.495
  145    HG3  GLU  20           1HG      GLU  20   4.885   8.060   0.229
  146    H    ALA  21           H        ALA  21   1.980   9.576  -2.938
  147    HA   ALA  21           HA       ALA  21  -0.422   8.293  -3.600
  148    HB1  ALA  21           1HB      ALA  21   0.880  10.852  -4.229
  149    HB2  ALA  21           2HB      ALA  21  -0.801  10.509  -3.819
  150    HB3  ALA  21           3HB      ALA  21  -0.233  10.281  -5.473
  151    H    LYS  22           H        LYS  22   2.256   9.210  -5.784
  152    HA   LYS  22           HA       LYS  22   1.330   7.996  -8.094
  153    HB2  LYS  22           2HB      LYS  22   3.697   9.254  -7.265
  154    HB3  LYS  22           1HB      LYS  22   4.193   7.667  -7.856
  155    HG2  LYS  22           2HG      LYS  22   4.189   9.161  -9.746
  156    HG3  LYS  22           1HG      LYS  22   2.791   8.098  -9.918
  157    HD2  LYS  22           2HD      LYS  22   1.877  10.257  -8.370
  158    HD3  LYS  22           1HD      LYS  22   2.866  10.985  -9.636
  159    HE2  LYS  22           2HE      LYS  22   1.606   9.701 -11.343
  160    HE3  LYS  22           1HE      LYS  22   0.593   9.022 -10.069
  161    HZ1  LYS  22           3HZ      LYS  22   0.175  11.463  -9.462
  162    HZ2  LYS  22           1HZ      LYS  22  -0.622  10.824 -10.817
  163    HZ3  LYS  22           2HZ      LYS  22   0.748  11.808 -11.024
  164    H    GLU  23           H        GLU  23   3.239   6.560  -5.462
  165    HA   GLU  23           HA       GLU  23   3.532   4.017  -6.725
  166    HB2  GLU  23           2HB      GLU  23   3.775   4.924  -3.852
  167    HB3  GLU  23           1HB      GLU  23   4.070   3.262  -4.360
  168    HG2  GLU  23           2HG      GLU  23   5.438   5.380  -5.932
  169    HG3  GLU  23           1HG      GLU  23   6.016   5.134  -4.285
  170    H    ALA  24           H        ALA  24   1.417   5.227  -4.146
  171    HA   ALA  24           HA       ALA  24  -0.082   3.084  -3.494
  172    HB1  ALA  24           1HB      ALA  24  -0.915   4.878  -2.380
  173    HB2  ALA  24           2HB      ALA  24  -2.047   4.961  -3.729
  174    HB3  ALA  24           3HB      ALA  24  -0.605   5.972  -3.727
  175    H    CYS  25           H        CYS  25  -0.559   5.084  -6.394
  176    HA   CYS  25           HA       CYS  25  -2.718   3.429  -7.359
  177    HB2  CYS  25           2HB      CYS  25  -3.102   5.190  -8.692
  178    HB3  CYS  25           1HB      CYS  25  -1.741   6.000  -7.917
  179    HG   CYS  25           HG       CYS  25  -0.858   4.120 -10.161
  180    H    ASP  26           H        ASP  26   0.739   3.770  -7.998
  181    HA   ASP  26           HA       ASP  26   0.755   1.977 -10.242
  182    HB2  ASP  26           2HB      ASP  26   2.486   3.824  -9.506
  183    HB3  ASP  26           1HB      ASP  26   3.194   2.498  -8.587
  184    H    TRP  27           H        TRP  27   0.621   1.566  -6.860
  185    HA   TRP  27           HA       TRP  27   1.794  -1.116  -6.937
  186    HB2  TRP  27           2HB      TRP  27   2.370   0.313  -5.037
  187    HB3  TRP  27           1HB      TRP  27   0.663   0.500  -4.639
  188    HD1  TRP  27           HD       TRP  27   3.521  -2.009  -4.522
  189    HE1  TRP  27           1HE      TRP  27   2.823  -4.004  -3.044
  190    HE3  TRP  27           3HE      TRP  27  -1.401  -0.872  -3.771
  191    HZ2  TRP  27           2HZ      TRP  27   0.486  -4.986  -1.717
  192    HZ3  TRP  27           3HZ      TRP  27  -2.839  -2.353  -2.400
  193    HH2  TRP  27           HH       TRP  27  -1.903  -4.406  -1.374
  194    H    LEU  28           H        LEU  28  -1.293   0.467  -6.143
  195    HA   LEU  28           HA       LEU  28  -2.855  -1.661  -5.428
  196    HB2  LEU  28           2HB      LEU  28  -3.395   0.857  -6.935
  197    HB3  LEU  28           1HB      LEU  28  -4.660  -0.370  -6.896
  198    HG   LEU  28           HG       LEU  28  -3.283   0.399  -4.343
  199   HD11  LEU  28          1HD1      LEU  28  -3.903   2.560  -4.841
  200   HD12  LEU  28          2HD1      LEU  28  -5.448   1.976  -4.220
  201   HD13  LEU  28          3HD1      LEU  28  -5.166   2.049  -5.958
  202   HD21  LEU  28          3HD2      LEU  28  -6.209  -0.110  -4.635
  203   HD22  LEU  28          1HD2      LEU  28  -5.106  -0.607  -3.351
  204   HD23  LEU  28          2HD2      LEU  28  -5.127  -1.481  -4.883
  205    H    ARG  29           H        ARG  29  -1.674  -0.858  -8.628
  206    HA   ARG  29           HA       ARG  29  -3.297  -2.840  -9.968
  207    HB2  ARG  29           2HB      ARG  29  -1.883  -2.284 -11.941
  208    HB3  ARG  29           1HB      ARG  29  -2.614  -0.859 -11.203
  209    HG2  ARG  29           2HG      ARG  29  -0.491  -0.497  -9.926
  210    HG3  ARG  29           1HG      ARG  29   0.229  -1.836 -10.818
  211    HD2  ARG  29           2HD      ARG  29   0.884   0.071 -12.043
  212    HD3  ARG  29           1HD      ARG  29  -0.496  -0.556 -12.941
  213    HE   ARG  29           HE       ARG  29  -1.499   1.277 -11.089
  214   HH11  ARG  29          1HH2      ARG  29   0.652   1.190 -13.798
  215   HH12  ARG  29          2HH2      ARG  29   0.326   2.819 -14.285
  216   HH21  ARG  29          1HH1      ARG  29  -1.932   3.415 -11.721
  217   HH22  ARG  29          2HH1      ARG  29  -1.138   4.079 -13.110
  218    H    ALA  30           H        ALA  30  -0.151  -2.677  -8.486
  219    HA   ALA  30           HA       ALA  30   0.841  -5.103  -9.697
  220    HB1  ALA  30           1HB      ALA  30   2.805  -4.696  -8.540
  221    HB2  ALA  30           2HB      ALA  30   1.968  -3.986  -7.160
  222    HB3  ALA  30           3HB      ALA  30   2.151  -3.061  -8.651
  223    H    ALA  31           H        ALA  31  -1.099  -4.257  -6.971
  224    HA   ALA  31           HA       ALA  31  -0.636  -6.725  -5.527
  225    HB1  ALA  31           1HB      ALA  31  -1.583  -5.604  -3.832
  226    HB2  ALA  31           2HB      ALA  31  -3.056  -5.338  -4.766
  227    HB3  ALA  31           3HB      ALA  31  -1.709  -4.207  -4.902
  228    H    GLY  32           H        GLY  32  -2.540  -5.733  -8.159
  229    HA2  GLY  32           2HA      GLY  32  -3.664  -7.448  -9.458
  230    HA3  GLY  32           1HA      GLY  32  -4.165  -8.196  -7.945
  231    H    PHE  33           H        PHE  33  -4.325  -4.822  -7.822
  232    HA   PHE  33           HA       PHE  33  -7.178  -4.803  -8.590
  233    HB2  PHE  33           2HB      PHE  33  -6.161  -3.265  -6.215
  234    HB3  PHE  33           1HB      PHE  33  -7.818  -3.713  -6.616
  235    HD1  PHE  33           2HD      PHE  33  -7.887  -6.475  -7.131
  236    HD2  PHE  33           1HD      PHE  33  -5.375  -4.399  -4.332
  237    HE1  PHE  33           2HE      PHE  33  -7.651  -8.553  -5.803
  238    HE2  PHE  33           1HE      PHE  33  -5.141  -6.477  -3.002
  239    HZ   PHE  33           HZ       PHE  33  -6.279  -8.554  -3.735
  240    HA   PRO  34           HA       PRO  34  -4.929  -1.228 -10.452
  241    HB2  PRO  34           2HB      PRO  34  -5.573  -1.711 -13.047
  242    HB3  PRO  34           1HB      PRO  34  -4.193  -2.480 -12.243
  243    HG2  PRO  34           2HG      PRO  34  -6.838  -3.601 -12.938
  244    HG3  PRO  34           1HG      PRO  34  -5.259  -4.395 -12.843
  245    HD2  PRO  34           2HD      PRO  34  -7.278  -4.505 -10.887
  246    HD3  PRO  34           1HD      PRO  34  -5.582  -4.984 -10.661
  247    H    GLN  35           H        GLN  35  -8.142  -2.299 -10.249
  248    HA   GLN  35           HA       GLN  35  -9.498  -0.372 -11.807
  249    HB2  GLN  35           2HB      GLN  35 -10.768  -2.229 -11.112
  250    HB3  GLN  35           1HB      GLN  35 -10.264  -2.059  -9.432
  251    HG2  GLN  35           2HG      GLN  35 -11.743   0.205 -10.720
  252    HG3  GLN  35           1HG      GLN  35 -12.646  -1.220 -10.220
  253   HE21  GLN  35          1HE2      GLN  35 -13.546   0.654  -8.710
  254   HE22  GLN  35          2HE2      GLN  35 -12.767   0.809  -7.208
  255    H    TYR  36           H        TYR  36  -8.200  -0.328  -8.538
  256    HA   TYR  36           HA       TYR  36  -9.498   2.009  -7.629
  257    HB2  TYR  36           2HB      TYR  36  -6.891   0.704  -6.859
  258    HB3  TYR  36           1HB      TYR  36  -7.510   2.144  -6.049
  259    HD1  TYR  36           1HD      TYR  36  -9.965   2.035  -5.180
  260    HD2  TYR  36           2HD      TYR  36  -7.613  -1.420  -6.175
  261    HE1  TYR  36           1HE      TYR  36 -11.462   0.617  -3.800
  262    HE2  TYR  36           2HE      TYR  36  -9.110  -2.836  -4.798
  263    HH   TYR  36           HH       TYR  36 -11.594  -2.664  -4.014
  264    H    ALA  37           H        ALA  37  -6.069   1.723  -8.536
  265    HA   ALA  37           HA       ALA  37  -5.266   4.282  -8.693
  266    HB1  ALA  37           1HB      ALA  37  -3.739   3.665 -10.484
  267    HB2  ALA  37           2HB      ALA  37  -4.729   2.259 -10.877
  268    HB3  ALA  37           3HB      ALA  37  -3.874   2.333  -9.336
  269    H    GLN  38           H        GLN  38  -7.351   2.687 -11.042
  270    HA   GLN  38           HA       GLN  38  -7.402   4.592 -13.059
  271    HB2  GLN  38           2HB      GLN  38  -8.885   2.288 -12.315
  272    HB3  GLN  38           1HB      GLN  38 -10.044   3.571 -12.668
  273    HG2  GLN  38           2HG      GLN  38  -7.751   2.770 -14.482
  274    HG3  GLN  38           1HG      GLN  38  -9.425   2.263 -14.696
  275   HE21  GLN  38          1HE2      GLN  38  -7.174   4.749 -15.427
  276   HE22  GLN  38          2HE2      GLN  38  -8.284   5.887 -16.022
  277    H    LEU  39           H        LEU  39  -9.313   4.456 -10.064
  278    HA   LEU  39           HA       LEU  39 -11.027   6.600 -10.538
  279    HB2  LEU  39           2HB      LEU  39  -9.872   5.400  -8.040
  280    HB3  LEU  39           1HB      LEU  39 -10.866   6.849  -7.940
  281    HG   LEU  39           HG       LEU  39 -11.871   4.550  -9.574
  282   HD11  LEU  39          1HD1      LEU  39 -11.534   4.596  -6.605
  283   HD12  LEU  39          2HD1      LEU  39 -11.491   3.230  -7.718
  284   HD13  LEU  39          3HD1      LEU  39 -13.036   3.939  -7.253
  285   HD21  LEU  39          3HD2      LEU  39 -14.038   5.401  -8.714
  286   HD22  LEU  39          1HD2      LEU  39 -13.118   6.671  -9.516
  287   HD23  LEU  39          2HD2      LEU  39 -13.177   6.601  -7.753
  288    H    TYR  40           H        TYR  40  -7.656   6.578  -9.581
  289    HA   TYR  40           HA       TYR  40  -7.359   9.186  -8.632
  290    HB2  TYR  40           2HB      TYR  40  -5.597   7.363  -8.675
  291    HB3  TYR  40           1HB      TYR  40  -5.337   7.767 -10.372
  292    HD1  TYR  40           2HD      TYR  40  -5.658   9.480  -7.044
  293    HD2  TYR  40           1HD      TYR  40  -3.713   9.369 -10.874
  294    HE1  TYR  40           2HE      TYR  40  -4.213  11.379  -6.365
  295    HE2  TYR  40           1HE      TYR  40  -2.268  11.264 -10.194
  296    HH   TYR  40           HH       TYR  40  -1.700  12.171  -7.226
  297    H    GLU  41           H        GLU  41  -6.895   8.024 -11.976
  298    HA   GLU  41           HA       GLU  41  -6.311  10.335 -13.281
  299    HB2  GLU  41           2HB      GLU  41  -8.392   8.399 -14.308
  300    HB3  GLU  41           1HB      GLU  41  -7.289   9.396 -15.256
  301    HG2  GLU  41           2HG      GLU  41  -5.514   8.049 -13.699
  302    HG3  GLU  41           1HG      GLU  41  -6.787   6.839 -13.848
  303    H    ASP  42           H        ASP  42  -9.421   9.415 -11.929
  304    HA   ASP  42           HA       ASP  42 -10.688  11.832 -13.006
  305    HB2  ASP  42           2HB      ASP  42 -11.611   9.239 -12.394
  306    HB3  ASP  42           1HB      ASP  42 -12.364  10.316 -11.218
  307    H    SER  43           H        SER  43  -9.205  10.637 -10.149
  308    HA   SER  43           HA       SER  43  -8.656  11.768  -8.206
  309    HB2  SER  43           2HB      SER  43  -9.108  13.842  -9.836
  310    HB3  SER  43           1HB      SER  43 -10.492  14.041  -8.766
  311    HG   SER  43           HG       SER  43  -8.519  13.524  -7.180
  312    H    GLN  44           H        GLN  44 -11.122  10.101  -8.797
  313    HA   GLN  44           HA       GLN  44 -12.905  11.059  -6.661
  314    HB2  GLN  44           2HB      GLN  44 -13.296   8.861  -8.707
  315    HB3  GLN  44           1HB      GLN  44 -14.495   9.384  -7.524
  316    HG2  GLN  44           2HG      GLN  44 -13.292  11.495  -9.248
  317    HG3  GLN  44           1HG      GLN  44 -14.413  10.378 -10.021
  318   HE21  GLN  44          1HE2      GLN  44 -14.690  11.289  -6.601
  319   HE22  GLN  44          2HE2      GLN  44 -16.127  12.172  -6.779
  320    H    PHE  45           H        PHE  45 -10.261   9.856  -6.161
  321    HA   PHE  45           HA       PHE  45 -10.490   7.168  -5.337
  322    HB2  PHE  45           2HB      PHE  45  -8.525   9.247  -5.198
  323    HB3  PHE  45           1HB      PHE  45  -8.665   8.478  -3.618
  324    HD1  PHE  45           1HD      PHE  45  -8.420   7.649  -7.258
  325    HD2  PHE  45           2HD      PHE  45  -7.579   6.429  -3.228
  326    HE1  PHE  45           1HE      PHE  45  -7.146   5.701  -8.111
  327    HE2  PHE  45           2HE      PHE  45  -6.312   4.477  -4.084
  328    HZ   PHE  45           HZ       PHE  45  -6.098   4.113  -6.523
  329    HA   PRO  46           HA       PRO  46 -11.496   9.018  -0.994
  330    HB2  PRO  46           2HB      PRO  46 -13.114  11.375  -1.738
  331    HB3  PRO  46           1HB      PRO  46 -11.844  11.226  -0.511
  332    HG2  PRO  46           2HG      PRO  46 -11.499  12.585  -2.810
  333    HG3  PRO  46           1HG      PRO  46 -10.181  11.748  -1.972
  334    HD2  PRO  46           2HD      PRO  46 -11.655  10.940  -4.442
  335    HD3  PRO  46           1HD      PRO  46  -9.958  10.655  -3.994
  336    H    ILE  47           H        ILE  47 -12.928   7.488  -0.574
  337    HA   ILE  47           HA       ILE  47 -15.744   7.847  -0.994
  338    HB   ILE  47           HB       ILE  47 -15.961   5.606  -2.226
  339   HG12  ILE  47          2HG1      ILE  47 -13.388   5.971  -3.556
  340   HG13  ILE  47          1HG1      ILE  47 -13.207   5.573  -1.846
  341   HG21  ILE  47          1HG2      ILE  47 -14.584   7.579  -4.020
  342   HG22  ILE  47          2HG2      ILE  47 -16.100   8.044  -3.243
  343   HG23  ILE  47          3HG2      ILE  47 -16.047   6.642  -4.306
  344   HD11  ILE  47          3HD1      ILE  47 -15.006   4.033  -3.732
  345   HD12  ILE  47          1HD1      ILE  47 -14.550   3.587  -2.088
  346   HD13  ILE  47          2HD1      ILE  47 -13.344   3.565  -3.375
  347    H    ASN  48           H        ASN  48 -16.821   5.563  -0.365
  348    HA   ASN  48           HA       ASN  48 -16.164   5.054   2.304
  349    HB2  ASN  48           2HB      ASN  48 -17.583   3.049   2.085
  350    HB3  ASN  48           1HB      ASN  48 -18.332   4.447   1.314
  351   HD21  ASN  48          1HD2      ASN  48 -15.933   3.853  -0.784
  352   HD22  ASN  48          2HD2      ASN  48 -16.678   2.727  -1.812
  353    H    ILE  49           H        ILE  49 -13.851   4.829   2.301
  354    HA   ILE  49           HA       ILE  49 -12.432   2.877   0.865
  355    HB   ILE  49           HB       ILE  49 -11.878   4.349   3.430
  356   HG12  ILE  49          2HG1      ILE  49 -10.425   4.350   0.771
  357   HG13  ILE  49          1HG1      ILE  49 -11.763   5.442   1.126
  358   HG21  ILE  49          1HG2      ILE  49  -9.489   3.349   2.998
  359   HG22  ILE  49          2HG2      ILE  49 -10.372   2.075   2.158
  360   HG23  ILE  49          3HG2      ILE  49 -10.682   2.382   3.867
  361   HD11  ILE  49          3HD1      ILE  49  -9.097   5.915   1.720
  362   HD12  ILE  49          1HD1      ILE  49  -9.766   5.387   3.262
  363   HD13  ILE  49          2HD1      ILE  49 -10.471   6.768   2.423
  364    H    VAL  50           H        VAL  50 -12.964   2.765   4.377
  365    HA   VAL  50           HA       VAL  50 -12.275   0.310   5.067
  366    HB   VAL  50           HB       VAL  50 -15.012   1.308   5.846
  367   HG11  VAL  50          1HG1      VAL  50 -14.247  -0.945   6.642
  368   HG12  VAL  50          2HG1      VAL  50 -14.500   0.208   7.952
  369   HG13  VAL  50          3HG1      VAL  50 -12.864  -0.160   7.403
  370   HG21  VAL  50          3HG2      VAL  50 -12.263   2.339   6.474
  371   HG22  VAL  50          1HG2      VAL  50 -13.507   2.399   7.725
  372   HG23  VAL  50          2HG2      VAL  50 -13.754   3.240   6.196
  373    H    ALA  51           H        ALA  51 -15.148   0.986   3.133
  374    HA   ALA  51           HA       ALA  51 -16.180  -1.667   3.219
  375    HB1  ALA  51           1HB      ALA  51 -17.777  -0.928   1.651
  376    HB2  ALA  51           2HB      ALA  51 -16.707   0.327   1.028
  377    HB3  ALA  51           3HB      ALA  51 -17.420   0.492   2.633
  378    H    VAL  52           H        VAL  52 -14.818   0.061   0.414
  379    HA   VAL  52           HA       VAL  52 -14.657  -1.900  -1.416
  380    HB   VAL  52           HB       VAL  52 -12.993  -0.745  -2.543
  381   HG11  VAL  52          1HG1      VAL  52 -13.540   1.513  -0.690
  382   HG12  VAL  52          2HG1      VAL  52 -14.944   0.702  -1.385
  383   HG13  VAL  52          3HG1      VAL  52 -13.729   1.419  -2.441
  384   HG21  VAL  52          3HG2      VAL  52 -11.111  -1.056  -1.081
  385   HG22  VAL  52          1HG2      VAL  52 -11.861  -0.078   0.178
  386   HG23  VAL  52          2HG2      VAL  52 -11.294   0.684  -1.300
  387    H    LYS  53           H        LYS  53 -12.308  -1.509   1.202
  388    HA   LYS  53           HA       LYS  53 -10.643  -3.682   0.561
  389    HB2  LYS  53           2HB      LYS  53 -11.212  -3.063   3.416
  390    HB3  LYS  53           1HB      LYS  53  -9.661  -3.304   2.609
  391    HG2  LYS  53           2HG      LYS  53 -10.189  -1.108   1.366
  392    HG3  LYS  53           1HG      LYS  53 -11.416  -0.855   2.606
  393    HD2  LYS  53           2HD      LYS  53  -8.435  -1.112   2.980
  394    HD3  LYS  53           1HD      LYS  53  -9.462   0.270   3.353
  395    HE2  LYS  53           2HE      LYS  53  -9.164  -0.699   5.463
  396    HE3  LYS  53           1HE      LYS  53 -10.697  -1.398   4.947
  397    HZ1  LYS  53           3HZ      LYS  53  -9.816  -3.420   4.920
  398    HZ2  LYS  53           1HZ      LYS  53  -8.464  -2.772   5.713
  399    HZ3  LYS  53           2HZ      LYS  53  -8.467  -2.913   4.020
  400    H    ASN  54           H        ASN  54 -13.512  -3.461   2.613
  401    HA   ASN  54           HA       ASN  54 -13.523  -6.275   3.256
  402    HB2  ASN  54           2HB      ASN  54 -15.623  -4.132   3.656
  403    HB3  ASN  54           1HB      ASN  54 -15.706  -5.767   4.314
  404   HD21  ASN  54          1HD2      ASN  54 -12.826  -3.630   4.079
  405   HD22  ASN  54          2HD2      ASN  54 -12.547  -3.575   5.754
  406    H    ASP  55           H        ASP  55 -15.793  -4.195   1.446
  407    HA   ASP  55           HA       ASP  55 -17.326  -6.294   0.372
  408    HB2  ASP  55           2HB      ASP  55 -18.308  -4.162   0.275
  409    HB3  ASP  55           1HB      ASP  55 -16.875  -3.435  -0.448
  410    H    HIS  56           H        HIS  56 -14.868  -4.295  -1.292
  411    HA   HIS  56           HA       HIS  56 -14.755  -6.021  -3.563
  412    HB2  HIS  56           2HB      HIS  56 -13.919  -3.461  -3.029
  413    HB3  HIS  56           1HB      HIS  56 -12.394  -4.347  -3.080
  414    HD2  HIS  56           2HD      HIS  56 -13.993  -2.396  -5.598
  415    HE1  HIS  56           1HE      HIS  56 -13.315  -5.987  -7.711
  416    HE2  HIS  56           2HE      HIS  56 -13.879  -3.523  -7.951
  417    H    ASP  57           H        ASP  57 -13.912  -6.784  -0.572
  418    HA   ASP  57           HA       ASP  57 -11.341  -7.587  -0.348
  419    HB2  ASP  57           2HB      ASP  57 -12.786  -8.112   1.446
  420    HB3  ASP  57           1HB      ASP  57 -13.875  -9.031   0.407
  421    H    PHE  58           H        PHE  58  -9.995  -8.867  -1.377
  422    HA   PHE  58           HA       PHE  58 -11.066 -10.843  -3.299
  423    HB2  PHE  58           2HB      PHE  58  -8.510 -10.001  -4.187
  424    HB3  PHE  58           1HB      PHE  58 -10.066  -9.743  -4.967
  425    HD1  PHE  58           2HD      PHE  58  -8.243  -8.388  -1.965
  426    HD2  PHE  58           1HD      PHE  58 -10.561  -7.528  -5.480
  427    HE1  PHE  58           2HE      PHE  58  -8.085  -5.965  -1.475
  428    HE2  PHE  58           1HE      PHE  58 -10.404  -5.104  -4.988
  429    HZ   PHE  58           HZ       PHE  58  -9.168  -4.322  -2.986
  430    H    LEU  59           H        LEU  59  -7.741 -10.048  -2.327
  431    HA   LEU  59           HA       LEU  59  -7.173 -12.843  -1.879
  432    HB2  LEU  59           2HB      LEU  59  -5.628 -10.329  -2.077
  433    HB3  LEU  59           1HB      LEU  59  -4.946 -11.556  -1.012
  434    HG   LEU  59           HG       LEU  59  -5.915 -12.290  -3.771
  435   HD11  LEU  59          1HD1      LEU  59  -3.313 -10.991  -2.971
  436   HD12  LEU  59          2HD1      LEU  59  -4.376 -10.581  -4.317
  437   HD13  LEU  59          3HD1      LEU  59  -3.409 -12.056  -4.373
  438   HD21  LEU  59          3HD2      LEU  59  -5.046 -13.801  -1.674
  439   HD22  LEU  59          1HD2      LEU  59  -3.522 -13.502  -2.507
  440   HD23  LEU  59          2HD2      LEU  59  -4.856 -14.275  -3.361
  441    H    GLU  60           H        GLU  60  -5.572 -13.084   0.191
  442    HA   GLU  60           HA       GLU  60  -7.217 -13.275   2.423
  443    HB2  GLU  60           2HB      GLU  60  -4.311 -12.845   2.897
  444    HB3  GLU  60           1HB      GLU  60  -5.382 -14.098   3.519
  445    HG2  GLU  60           2HG      GLU  60  -4.120 -15.329   2.010
  446    HG3  GLU  60           1HG      GLU  60  -5.471 -14.851   0.987
  447    H    LYS  61           H        LYS  61  -6.112 -12.192   4.609
  448    HA   LYS  61           HA       LYS  61  -6.970  -9.447   4.456
  449    HB2  LYS  61           2HB      LYS  61  -7.536 -10.674   6.440
  450    HB3  LYS  61           1HB      LYS  61  -5.851 -11.122   6.710
  451    HG2  LYS  61           2HG      LYS  61  -5.247  -8.971   7.390
  452    HG3  LYS  61           1HG      LYS  61  -6.603  -8.217   6.551
  453    HD2  LYS  61           2HD      LYS  61  -7.280 -10.149   8.710
  454    HD3  LYS  61           1HD      LYS  61  -6.596  -8.605   9.215
  455    HE2  LYS  61           2HE      LYS  61  -8.888  -8.779   7.253
  456    HE3  LYS  61           1HE      LYS  61  -9.149  -8.694   8.995
  457    HZ1  LYS  61           3HZ      LYS  61  -8.985  -6.542   7.504
  458    HZ2  LYS  61           1HZ      LYS  61  -7.329  -6.746   7.803
  459    HZ3  LYS  61           2HZ      LYS  61  -8.409  -6.570   9.101
  460    H    ASP  62           H        ASP  62  -4.125 -10.953   3.700
  461    HA   ASP  62           HA       ASP  62  -2.210  -9.152   4.821
  462    HB2  ASP  62           2HB      ASP  62  -1.414 -11.289   4.148
  463    HB3  ASP  62           1HB      ASP  62  -2.115 -11.126   2.540
  464    H    LEU  63           H        LEU  63  -3.893  -9.361   1.710
  465    HA   LEU  63           HA       LEU  63  -2.599  -6.927   0.753
  466    HB2  LEU  63           2HB      LEU  63  -3.801  -9.194  -0.466
  467    HB3  LEU  63           1HB      LEU  63  -4.748  -7.779  -0.933
  468    HG   LEU  63           HG       LEU  63  -2.624  -6.625  -1.573
  469   HD11  LEU  63          1HD1      LEU  63  -0.643  -7.487  -0.947
  470   HD12  LEU  63          2HD1      LEU  63  -0.983  -8.964  -1.847
  471   HD13  LEU  63          3HD1      LEU  63  -1.490  -8.821  -0.165
  472   HD21  LEU  63          3HD2      LEU  63  -2.259  -8.915  -3.265
  473   HD22  LEU  63          1HD2      LEU  63  -3.082  -7.401  -3.637
  474   HD23  LEU  63          2HD2      LEU  63  -3.979  -8.740  -2.920
  475    H    VAL  64           H        VAL  64  -4.850  -7.364   2.960
  476    HA   VAL  64           HA       VAL  64  -6.873  -5.521   1.949
  477    HB   VAL  64           HB       VAL  64  -6.579  -7.140   4.467
  478   HG11  VAL  64          1HG1      VAL  64  -8.402  -4.818   3.878
  479   HG12  VAL  64          2HG1      VAL  64  -7.500  -5.164   5.354
  480   HG13  VAL  64          3HG1      VAL  64  -8.925  -6.120   4.946
  481   HG21  VAL  64          3HG2      VAL  64  -8.691  -6.983   2.292
  482   HG22  VAL  64          1HG2      VAL  64  -8.713  -8.092   3.664
  483   HG23  VAL  64          2HG2      VAL  64  -7.458  -8.238   2.432
  484    H    GLU  65           H        GLU  65  -4.711  -5.654   4.807
  485    HA   GLU  65           HA       GLU  65  -5.211  -3.069   5.717
  486    HB2  GLU  65           2HB      GLU  65  -3.431  -5.194   6.355
  487    HB3  GLU  65           1HB      GLU  65  -2.483  -3.711   6.238
  488    HG2  GLU  65           2HG      GLU  65  -3.317  -3.945   8.507
  489    HG3  GLU  65           1HG      GLU  65  -4.130  -2.589   7.733
  490    HA   PRO  66           HA       PRO  66  -1.292  -1.719   3.103
  491    HB2  PRO  66           2HB      PRO  66  -1.661  -3.533   0.780
  492    HB3  PRO  66           1HB      PRO  66  -0.166  -3.017   1.582
  493    HG2  PRO  66           2HG      PRO  66  -1.147  -5.482   1.875
  494    HG3  PRO  66           1HG      PRO  66  -0.304  -4.642   3.186
  495    HD2  PRO  66           2HD      PRO  66  -3.233  -5.148   2.851
  496    HD3  PRO  66           1HD      PRO  66  -2.258  -5.063   4.334
  497    H    LEU  67           H        LEU  67  -4.173  -3.034   1.513
  498    HA   LEU  67           HA       LEU  67  -4.451  -1.173  -0.554
  499    HB2  LEU  67           2HB      LEU  67  -5.799  -3.354   0.027
  500    HB3  LEU  67           1HB      LEU  67  -6.857  -2.236   0.888
  501    HG   LEU  67           HG       LEU  67  -6.587  -0.884  -1.436
  502   HD11  LEU  67          1HD1      LEU  67  -6.608  -2.430  -3.311
  503   HD12  LEU  67          2HD1      LEU  67  -6.539  -3.814  -2.221
  504   HD13  LEU  67          3HD1      LEU  67  -5.154  -2.732  -2.361
  505   HD21  LEU  67          3HD2      LEU  67  -8.723  -1.428  -0.438
  506   HD22  LEU  67          1HD2      LEU  67  -8.503  -3.143  -0.787
  507   HD23  LEU  67          2HD2      LEU  67  -8.752  -1.997  -2.107
  508    H    CYS  68           H        CYS  68  -5.658  -1.092   2.784
  509    HA   CYS  68           HA       CYS  68  -7.052   1.371   2.553
  510    HB2  CYS  68           2HB      CYS  68  -7.647   0.933   4.678
  511    HB3  CYS  68           1HB      CYS  68  -6.748  -0.575   4.511
  512    HG   CYS  68           HG       CYS  68  -5.575   2.029   5.781
  513    H    ARG  69           H        ARG  69  -3.708   0.568   2.976
  514    HA   ARG  69           HA       ARG  69  -2.875   3.067   4.093
  515    HB2  ARG  69           2HB      ARG  69  -1.669   0.569   3.412
  516    HB3  ARG  69           1HB      ARG  69  -0.746   1.858   2.640
  517    HG2  ARG  69           2HG      ARG  69   0.132   1.469   4.885
  518    HG3  ARG  69           1HG      ARG  69  -0.646   3.050   4.827
  519    HD2  ARG  69           2HD      ARG  69  -2.624   1.087   5.493
  520    HD3  ARG  69           1HD      ARG  69  -1.240   0.871   6.559
  521    HE   ARG  69           HE       ARG  69  -1.746   3.601   6.502
  522   HH11  ARG  69          1HH2      ARG  69  -3.399   0.681   7.345
  523   HH12  ARG  69          2HH2      ARG  69  -4.376   1.423   8.568
  524   HH21  ARG  69          1HH1      ARG  69  -3.024   4.582   8.104
  525   HH22  ARG  69          2HH1      ARG  69  -4.164   3.633   8.998
  526    H    ARG  70           H        ARG  70  -3.032   1.733   0.812
  527    HA   ARG  70           HA       ARG  70  -1.846   4.062  -0.394
  528    HB2  ARG  70           2HB      ARG  70  -3.500   1.934  -1.763
  529    HB3  ARG  70           1HB      ARG  70  -2.300   2.988  -2.495
  530    HG2  ARG  70           2HG      ARG  70  -1.862   0.657  -0.639
  531    HG3  ARG  70           1HG      ARG  70  -1.172   0.927  -2.233
  532    HD2  ARG  70           2HD      ARG  70   0.012   2.958  -1.212
  533    HD3  ARG  70           1HD      ARG  70  -0.473   2.322   0.356
  534    HE   ARG  70           HE       ARG  70   0.730   0.185  -0.799
  535   HH11  ARG  70          1HH2      ARG  70   1.598   3.512  -0.403
  536   HH12  ARG  70          2HH2      ARG  70   3.302   3.203  -0.347
  537   HH21  ARG  70          1HH1      ARG  70   2.962  -0.226  -0.733
  538   HH22  ARG  70          2HH1      ARG  70   4.074   1.087  -0.534
  539    H    LEU  71           H        LEU  71  -5.169   2.732  -0.369
  540    HA   LEU  71           HA       LEU  71  -6.392   4.795  -1.779
  541    HB2  LEU  71           2HB      LEU  71  -7.504   3.136   0.495
  542    HB3  LEU  71           1HB      LEU  71  -8.476   4.125  -0.593
  543    HG   LEU  71           HG       LEU  71  -6.572   2.092  -1.730
  544   HD11  LEU  71          1HD1      LEU  71  -7.768   0.722  -0.199
  545   HD12  LEU  71          2HD1      LEU  71  -8.607   0.525  -1.736
  546   HD13  LEU  71          3HD1      LEU  71  -9.281   1.579  -0.492
  547   HD21  LEU  71          3HD2      LEU  71  -9.282   2.510  -2.844
  548   HD22  LEU  71          1HD2      LEU  71  -7.727   2.446  -3.671
  549   HD23  LEU  71          2HD2      LEU  71  -8.248   3.935  -2.887
  550    H    ASN  72           H        ASN  72  -5.960   4.493   1.746
  551    HA   ASN  72           HA       ASN  72  -7.135   6.914   2.492
  552    HB2  ASN  72           2HB      ASN  72  -6.453   5.147   4.085
  553    HB3  ASN  72           1HB      ASN  72  -4.763   5.545   3.779
  554   HD21  ASN  72          1HD2      ASN  72  -3.930   6.888   5.373
  555   HD22  ASN  72          2HD2      ASN  72  -4.810   8.076   6.207
  556    H    THR  73           H        THR  73  -3.810   6.200   1.506
  557    HA   THR  73           HA       THR  73  -2.771   8.799   1.967
  558    HB   THR  73           HB       THR  73  -1.827   6.744  -0.046
  559    HG1  THR  73           1HG      THR  73  -0.895   7.176   2.584
  560   HG21  THR  73          3HG2      THR  73   0.261   8.255   1.160
  561   HG22  THR  73          1HG2      THR  73  -0.960   9.396   0.601
  562   HG23  THR  73          2HG2      THR  73  -0.237   8.254  -0.531
  563    H    LEU  74           H        LEU  74  -3.778   7.227  -1.080
  564    HA   LEU  74           HA       LEU  74  -3.469   9.452  -2.735
  565    HB2  LEU  74           2HB      LEU  74  -5.006   6.916  -2.859
  566    HB3  LEU  74           1HB      LEU  74  -5.517   8.197  -3.958
  567    HG   LEU  74           HG       LEU  74  -2.635   7.290  -3.686
  568   HD11  LEU  74          1HD1      LEU  74  -4.593   6.534  -5.867
  569   HD12  LEU  74          2HD1      LEU  74  -4.196   5.477  -4.513
  570   HD13  LEU  74          3HD1      LEU  74  -2.943   5.949  -5.661
  571   HD21  LEU  74          3HD2      LEU  74  -3.923   9.484  -5.017
  572   HD22  LEU  74          1HD2      LEU  74  -3.305   8.376  -6.241
  573   HD23  LEU  74          2HD2      LEU  74  -2.216   9.048  -5.028
  574    H    ASN  75           H        ASN  75  -6.322   8.388  -0.889
  575    HA   ASN  75           HA       ASN  75  -8.175  10.255  -1.763
  576    HB2  ASN  75           2HB      ASN  75  -7.783   9.130   1.019
  577    HB3  ASN  75           1HB      ASN  75  -9.210  10.024   0.500
  578   HD21  ASN  75          1HD2      ASN  75 -10.378   7.920   1.002
  579   HD22  ASN  75          2HD2      ASN  75 -10.388   6.711  -0.185
  580    H    LYS  76           H        LYS  76  -5.774  10.583   0.837
  581    HA   LYS  76           HA       LYS  76  -6.475  13.239   1.557
  582    HB2  LYS  76           2HB      LYS  76  -3.958  11.606   1.929
  583    HB3  LYS  76           1HB      LYS  76  -4.152  13.232   2.581
  584    HG2  LYS  76           2HG      LYS  76  -6.220  12.464   3.758
  585    HG3  LYS  76           1HG      LYS  76  -5.885  10.827   3.193
  586    HD2  LYS  76           2HD      LYS  76  -3.479  11.794   4.334
  587    HD3  LYS  76           1HD      LYS  76  -4.771  12.202   5.463
  588    HE2  LYS  76           2HE      LYS  76  -3.969   9.976   6.001
  589    HE3  LYS  76           1HE      LYS  76  -5.579   9.830   5.296
  590    HZ1  LYS  76           3HZ      LYS  76  -4.658   8.431   3.859
  591    HZ2  LYS  76           1HZ      LYS  76  -3.081   8.842   4.328
  592    HZ3  LYS  76           2HZ      LYS  76  -3.887   9.770   3.154
  593    H    CYS  77           H        CYS  77  -4.540  11.868  -0.973
  594    HA   CYS  77           HA       CYS  77  -3.347  14.464  -1.638
  595    HB2  CYS  77           2HB      CYS  77  -1.631  13.188  -2.292
  596    HB3  CYS  77           1HB      CYS  77  -2.562  11.730  -1.945
  597    HG   CYS  77           HG       CYS  77  -2.697  11.397  -4.389
  598    H    ALA  78           H        ALA  78  -6.093  12.666  -2.360
  599    HA   ALA  78           HA       ALA  78  -6.340  13.382  -5.144
  600    HB1  ALA  78           1HB      ALA  78  -7.479  11.445  -3.657
  601    HB2  ALA  78           2HB      ALA  78  -8.199  12.059  -5.144
  602    HB3  ALA  78           3HB      ALA  78  -8.756  12.660  -3.583
  603    H    SER  79           H        SER  79  -7.083  14.841  -2.100
  604    HA   SER  79           HA       SER  79  -9.192  16.545  -2.779
  605    HB2  SER  79           2HB      SER  79  -8.397  17.965  -0.932
  606    HB3  SER  79           1HB      SER  79  -8.380  16.263  -0.479
  607    HG   SER  79           HG       SER  79  -6.316  16.444  -0.195
  608    H    MET  80           H        MET  80  -5.726  16.831  -3.351
  609    HA   MET  80           HA       MET  80  -4.489  18.305  -4.606
  610    HB2  MET  80           2HB      MET  80  -6.275  17.405  -6.270
  611    HB3  MET  80           1HB      MET  80  -6.997  19.006  -6.105
  612    HG2  MET  80           2HG      MET  80  -4.730  19.985  -6.657
  613    HG3  MET  80           1HG      MET  80  -4.195  18.351  -7.048
  614    HE1  MET  80           3HE      MET  80  -4.706  18.324 -10.611
  615    HE2  MET  80           1HE      MET  80  -4.558  17.199  -9.256
  616    HE3  MET  80           2HE      MET  80  -3.549  18.641  -9.322
  617    H    LYS  81           H        LYS  81  -4.835  19.474  -2.349
  618    HA   LYS  81           HA       LYS  81  -5.207  21.433  -1.183
  619    HB2  LYS  81           2HB      LYS  81  -4.219  22.218  -3.894
  620    HB3  LYS  81           1HB      LYS  81  -4.733  23.486  -2.781
  621    HG2  LYS  81           2HG      LYS  81  -2.923  21.335  -1.750
  622    HG3  LYS  81           1HG      LYS  81  -2.230  22.605  -2.760
  623    HD2  LYS  81           2HD      LYS  81  -4.057  23.414  -0.533
  624    HD3  LYS  81           1HD      LYS  81  -2.415  22.910  -0.125
  625    HE2  LYS  81           2HE      LYS  81  -2.903  24.911  -2.324
  626    HE3  LYS  81           1HE      LYS  81  -2.835  25.426  -0.638
  627    HZ1  LYS  81           3HZ      LYS  81  -0.671  24.032  -0.624
  628    HZ2  LYS  81           1HZ      LYS  81  -0.652  25.597  -1.275
  629    HZ3  LYS  81           2HZ      LYS  81  -0.721  24.248  -2.308
  Start of MODEL    9
    1    H1   MET   1           1HT      MET   1  13.862 -19.556  26.315
    2    H2   MET   1           2HT      MET   1  12.475 -20.534  26.304
    3    H3   MET   1           3HT      MET   1  12.503 -19.084  25.419
    4    HA   MET   1           HA       MET   1  14.637 -20.381  24.410
    5    HB2  MET   1           2HB      MET   1  12.662 -22.319  25.492
    6    HB3  MET   1           1HB      MET   1  13.240 -22.629  23.854
    7    HG2  MET   1           2HG      MET   1  14.671 -23.741  25.543
    8    HG3  MET   1           1HG      MET   1  15.568 -22.525  24.635
    9    HE1  MET   1           2HE      MET   1  17.402 -22.705  26.805
   10    HE2  MET   1           3HE      MET   1  16.236 -23.937  27.282
   11    HE3  MET   1           1HE      MET   1  16.766 -22.716  28.447
   12    H    HIS   2           H        HIS   2  11.164 -19.923  24.419
   13    HA   HIS   2           HA       HIS   2  11.106 -19.850  21.478
   14    HB2  HIS   2           2HB      HIS   2   8.901 -19.862  23.549
   15    HB3  HIS   2           1HB      HIS   2   8.622 -19.696  21.816
   16    HD2  HIS   2           2HD      HIS   2   9.145 -22.495  24.383
   17    HE1  HIS   2           1HE      HIS   2   9.718 -24.255  20.590
   18    HE2  HIS   2           2HE      HIS   2   9.412 -24.734  23.066
   19    H    HIS   3           H        HIS   3  11.382 -17.954  20.509
   20    HA   HIS   3           HA       HIS   3  10.893 -15.481  22.018
   21    HB2  HIS   3           2HB      HIS   3  12.281 -15.906  19.361
   22    HB3  HIS   3           1HB      HIS   3  12.189 -14.385  20.249
   23    HD2  HIS   3           2HD      HIS   3  14.906 -14.259  20.980
   24    HE1  HIS   3           1HE      HIS   3  15.025 -17.927  23.068
   25    HE2  HIS   3           2HE      HIS   3  16.325 -15.813  22.527
   26    H    HIS   4           H        HIS   4   9.564 -13.836  21.238
   27    HA   HIS   4           HA       HIS   4   7.529 -14.737  19.311
   28    HB2  HIS   4           2HB      HIS   4   6.665 -12.334  20.406
   29    HB3  HIS   4           1HB      HIS   4   6.162 -13.947  20.912
   30    HD2  HIS   4           2HD      HIS   4   8.229 -15.034  22.913
   31    HE1  HIS   4           1HE      HIS   4   8.759 -11.159  24.502
   32    HE2  HIS   4           2HE      HIS   4   9.153 -13.634  24.914
   33    H    HIS   5           H        HIS   5   8.648 -11.480  20.186
   34    HA   HIS   5           HA       HIS   5   9.178  -9.662  18.883
   35    HB2  HIS   5           2HB      HIS   5  11.231 -10.433  18.261
   36    HB3  HIS   5           1HB      HIS   5  10.594 -11.968  17.671
   37    HD2  HIS   5           2HD      HIS   5   9.894  -8.269  16.328
   38    HE1  HIS   5           1HE      HIS   5  10.986 -10.756  13.096
   39    HE2  HIS   5           2HE      HIS   5  10.261  -8.411  13.747
   40    H    HIS   6           H        HIS   6   7.439  -8.672  18.061
   41    HA   HIS   6           HA       HIS   6   6.363  -9.672  15.495
   42    HB2  HIS   6           2HB      HIS   6   4.817  -8.642  17.881
   43    HB3  HIS   6           1HB      HIS   6   4.119  -8.827  16.271
   44    HD2  HIS   6           2HD      HIS   6   4.897 -11.733  15.341
   45    HE1  HIS   6           1HE      HIS   6   3.940 -13.113  19.215
   46    HE2  HIS   6           2HE      HIS   6   4.345 -13.820  16.810
   47    H    HIS   7           H        HIS   7   7.228  -6.998  17.557
   48    HA   HIS   7           HA       HIS   7   7.515  -4.755  17.148
   49    HB2  HIS   7           2HB      HIS   7   8.332  -6.172  14.759
   50    HB3  HIS   7           1HB      HIS   7   7.686  -4.582  14.355
   51    HD2  HIS   7           2HD      HIS   7  10.983  -6.024  15.493
   52    HE1  HIS   7           1HE      HIS   7  11.033  -2.014  16.813
   53    HE2  HIS   7           2HE      HIS   7  12.454  -4.087  16.445
   54    H    SER   8           H        SER   8   6.528  -2.832  16.161
   55    HA   SER   8           HA       SER   8   4.184  -2.994  14.564
   56    HB2  SER   8           2HB      SER   8   3.505  -3.925  16.917
   57    HB3  SER   8           1HB      SER   8   3.525  -2.228  17.387
   58    HG   SER   8           HG       SER   8   1.568  -3.439  16.266
   59    H    SER   9           H        SER   9   4.992  -1.254  13.457
   60    HA   SER   9           HA       SER   9   4.620   1.341  14.684
   61    HB2  SER   9           2HB      SER   9   6.905   2.134  14.162
   62    HB3  SER   9           1HB      SER   9   6.913   0.862  15.378
   63    HG   SER   9           HG       SER   9   8.012   0.909  12.902
   64    H    GLY  10           H        GLY  10   3.926   2.773  13.206
   65    HA2  GLY  10           2HA      GLY  10   4.749   3.149  10.605
   66    HA3  GLY  10           1HA      GLY  10   3.488   1.925  10.503
   67    H    LEU  11           H        LEU  11   4.195   5.264  10.975
   68    HA   LEU  11           HA       LEU  11   1.372   5.876  11.556
   69    HB2  LEU  11           2HB      LEU  11   3.894   7.530  11.758
   70    HB3  LEU  11           1HB      LEU  11   2.275   8.201  11.963
   71    HG   LEU  11           HG       LEU  11   2.873   5.750  13.526
   72   HD11  LEU  11          1HD1      LEU  11   4.263   8.393  13.940
   73   HD12  LEU  11          2HD1      LEU  11   4.950   6.769  13.986
   74   HD13  LEU  11          3HD1      LEU  11   3.918   7.328  15.302
   75   HD21  LEU  11          3HD2      LEU  11   0.724   7.027  13.629
   76   HD22  LEU  11          1HD2      LEU  11   1.617   8.419  14.241
   77   HD23  LEU  11          2HD2      LEU  11   1.535   6.936  15.192
   78    H    VAL  12           H        VAL  12   0.353   7.627  10.368
   79    HA   VAL  12           HA       VAL  12   1.465   8.074   7.670
   80    HB   VAL  12           HB       VAL  12  -0.842   7.798   6.755
   81   HG11  VAL  12          1HG1      VAL  12   0.709   5.959   6.521
   82   HG12  VAL  12          2HG1      VAL  12  -0.852   5.284   6.990
   83   HG13  VAL  12          3HG1      VAL  12   0.432   5.450   8.187
   84   HG21  VAL  12          3HG2      VAL  12  -2.574   7.659   8.187
   85   HG22  VAL  12          1HG2      VAL  12  -1.458   7.688   9.552
   86   HG23  VAL  12          2HG2      VAL  12  -1.917   6.150   8.822
   87    HA   PRO  13           HA       PRO  13  -0.159  11.955   9.656
   88    HB2  PRO  13           2HB      PRO  13   2.174  13.350   9.726
   89    HB3  PRO  13           1HB      PRO  13   1.682  12.235  11.014
   90    HG2  PRO  13           2HG      PRO  13   3.670  11.863   8.847
   91    HG3  PRO  13           1HG      PRO  13   3.676  11.253  10.510
   92    HD2  PRO  13           2HD      PRO  13   2.971   9.760   8.258
   93    HD3  PRO  13           1HD      PRO  13   2.548   9.346   9.932
   94    H    ARG  14           H        ARG  14   2.656  12.993   7.861
   95    HA   ARG  14           HA       ARG  14   1.418  13.325   5.322
   96    HB2  ARG  14           2HB      ARG  14   0.763  15.295   7.290
   97    HB3  ARG  14           1HB      ARG  14   1.778  16.041   6.055
   98    HG2  ARG  14           2HG      ARG  14   0.296  15.282   4.292
   99    HG3  ARG  14           1HG      ARG  14  -0.660  14.346   5.442
  100    HD2  ARG  14           2HD      ARG  14  -1.826  16.414   5.005
  101    HD3  ARG  14           1HD      ARG  14  -1.189  16.469   6.646
  102    HE   ARG  14           HE       ARG  14   0.287  18.158   5.979
  103   HH11  ARG  14          1HH2      ARG  14  -1.329  16.702   3.288
  104   HH12  ARG  14          2HH2      ARG  14  -0.815  17.904   2.151
  105   HH21  ARG  14          1HH1      ARG  14   0.963  19.739   4.495
  106   HH22  ARG  14          2HH1      ARG  14   0.483  19.624   2.836
  107    H    GLY  15           H        GLY  15   2.835  14.204   3.776
  108    HA2  GLY  15           2HA      GLY  15   5.009  15.649   3.732
  109    HA3  GLY  15           1HA      GLY  15   5.636  14.294   4.666
  110    H    SER  16           H        SER  16   5.544  12.145   3.662
  111    HA   SER  16           HA       SER  16   6.407  12.261   0.916
  112    HB2  SER  16           2HB      SER  16   6.087   9.581   1.578
  113    HB3  SER  16           1HB      SER  16   7.571  10.519   1.723
  114    HG   SER  16           HG       SER  16   6.348   9.389   3.658
  115    H    GLN  17           H        GLN  17   3.458  12.636   1.984
  116    HA   GLN  17           HA       GLN  17   1.769  10.694   1.012
  117    HB2  GLN  17           2HB      GLN  17   0.145  12.547   0.588
  118    HB3  GLN  17           1HB      GLN  17   0.902  12.628   2.178
  119    HG2  GLN  17           2HG      GLN  17   1.658  14.689   1.707
  120    HG3  GLN  17           1HG      GLN  17   2.588  14.032   0.361
  121   HE21  GLN  17          1HE2      GLN  17   0.836  13.394  -1.572
  122   HE22  GLN  17          2HE2      GLN  17  -0.175  14.694  -1.983
  123    H    GLU  18           H        GLU  18   3.879  12.754  -0.765
  124    HA   GLU  18           HA       GLU  18   2.519  12.655  -3.277
  125    HB2  GLU  18           2HB      GLU  18   5.328  13.335  -2.438
  126    HB3  GLU  18           1HB      GLU  18   4.872  13.263  -4.140
  127    HG2  GLU  18           2HG      GLU  18   3.142  14.823  -2.257
  128    HG3  GLU  18           1HG      GLU  18   4.665  15.532  -2.791
  129    H    ILE  19           H        ILE  19   5.607  11.121  -2.337
  130    HA   ILE  19           HA       ILE  19   5.761   9.337  -4.466
  131    HB   ILE  19           HB       ILE  19   6.765   9.060  -1.625
  132   HG12  ILE  19          2HG1      ILE  19   8.443   9.560  -4.063
  133   HG13  ILE  19          1HG1      ILE  19   7.537  10.904  -3.365
  134   HG21  ILE  19          1HG2      ILE  19   6.727   6.840  -2.457
  135   HG22  ILE  19          2HG2      ILE  19   8.367   7.401  -2.785
  136   HG23  ILE  19          3HG2      ILE  19   7.174   7.354  -4.084
  137   HD11  ILE  19          3HD1      ILE  19   9.442   9.120  -1.821
  138   HD12  ILE  19          1HD1      ILE  19   8.592  10.533  -1.193
  139   HD13  ILE  19          2HD1      ILE  19   9.838  10.729  -2.426
  140    H    GLU  20           H        GLU  20   4.007   9.107  -1.434
  141    HA   GLU  20           HA       GLU  20   3.304   6.363  -1.628
  142    HB2  GLU  20           2HB      GLU  20   2.048   8.695  -0.177
  143    HB3  GLU  20           1HB      GLU  20   1.420   7.051  -0.067
  144    HG2  GLU  20           2HG      GLU  20   4.316   7.701   0.495
  145    HG3  GLU  20           1HG      GLU  20   3.082   7.756   1.753
  146    H    ALA  21           H        ALA  21   1.799   9.347  -2.771
  147    HA   ALA  21           HA       ALA  21  -0.628   8.232  -3.675
  148    HB1  ALA  21           1HB      ALA  21  -0.185  10.312  -5.400
  149    HB2  ALA  21           2HB      ALA  21   0.832  10.754  -4.028
  150    HB3  ALA  21           3HB      ALA  21  -0.892  10.469  -3.793
  151    H    LYS  22           H        LYS  22   2.207   9.198  -5.649
  152    HA   LYS  22           HA       LYS  22   1.367   8.046  -8.037
  153    HB2  LYS  22           2HB      LYS  22   3.616   9.400  -7.197
  154    HB3  LYS  22           1HB      LYS  22   4.250   7.798  -7.570
  155    HG2  LYS  22           2HG      LYS  22   4.359   8.998  -9.622
  156    HG3  LYS  22           1HG      LYS  22   2.945   7.955  -9.770
  157    HD2  LYS  22           2HD      LYS  22   1.927  10.250  -8.573
  158    HD3  LYS  22           1HD      LYS  22   3.099  10.876  -9.733
  159    HE2  LYS  22           2HE      LYS  22   0.979  10.659 -10.874
  160    HE3  LYS  22           1HE      LYS  22   2.048   9.394 -11.480
  161    HZ1  LYS  22           3HZ      LYS  22  -0.299   8.727 -10.831
  162    HZ2  LYS  22           1HZ      LYS  22   0.201   8.918  -9.221
  163    HZ3  LYS  22           2HZ      LYS  22   0.970   7.777 -10.219
  164    H    GLU  23           H        GLU  23   3.110   6.584  -5.332
  165    HA   GLU  23           HA       GLU  23   3.535   4.070  -6.616
  166    HB2  GLU  23           2HB      GLU  23   3.604   4.985  -3.742
  167    HB3  GLU  23           1HB      GLU  23   3.836   3.292  -4.181
  168    HG2  GLU  23           2HG      GLU  23   5.421   5.304  -5.701
  169    HG3  GLU  23           1HG      GLU  23   5.885   5.027  -4.022
  170    H    ALA  24           H        ALA  24   1.219   5.213  -4.184
  171    HA   ALA  24           HA       ALA  24  -0.299   3.045  -3.685
  172    HB1  ALA  24           1HB      ALA  24  -1.125   4.872  -2.581
  173    HB2  ALA  24           2HB      ALA  24  -2.280   4.839  -3.916
  174    HB3  ALA  24           3HB      ALA  24  -0.906   5.932  -3.969
  175    H    CYS  25           H        CYS  25  -0.752   5.172  -6.525
  176    HA   CYS  25           HA       CYS  25  -2.809   3.513  -7.636
  177    HB2  CYS  25           2HB      CYS  25  -3.146   5.431  -8.737
  178    HB3  CYS  25           1HB      CYS  25  -1.581   6.056  -8.220
  179    HG   CYS  25           HG       CYS  25  -1.198   4.066 -10.459
  180    H    ASP  26           H        ASP  26   0.677   3.805  -8.089
  181    HA   ASP  26           HA       ASP  26   0.723   2.014 -10.358
  182    HB2  ASP  26           2HB      ASP  26   2.410   3.906  -9.719
  183    HB3  ASP  26           1HB      ASP  26   3.133   2.667  -8.697
  184    H    TRP  27           H        TRP  27   0.562   1.663  -6.991
  185    HA   TRP  27           HA       TRP  27   1.818  -0.981  -6.967
  186    HB2  TRP  27           2HB      TRP  27   2.330   0.501  -5.105
  187    HB3  TRP  27           1HB      TRP  27   0.613   0.705  -4.760
  188    HD1  TRP  27           HD       TRP  27   3.470  -1.782  -4.440
  189    HE1  TRP  27           1HE      TRP  27   2.740  -3.699  -2.880
  190    HE3  TRP  27           3HE      TRP  27  -1.474  -0.637  -3.893
  191    HZ2  TRP  27           2HZ      TRP  27   0.370  -4.625  -1.572
  192    HZ3  TRP  27           3HZ      TRP  27  -2.945  -2.051  -2.485
  193    HH2  TRP  27           HH       TRP  27  -2.030  -4.041  -1.326
  194    H    LEU  28           H        LEU  28  -1.333   0.552  -6.382
  195    HA   LEU  28           HA       LEU  28  -2.857  -1.589  -5.590
  196    HB2  LEU  28           2HB      LEU  28  -3.455   0.787  -7.324
  197    HB3  LEU  28           1HB      LEU  28  -4.691  -0.443  -7.070
  198    HG   LEU  28           HG       LEU  28  -3.209   0.694  -4.713
  199   HD11  LEU  28          1HD1      LEU  28  -3.951   2.747  -5.408
  200   HD12  LEU  28          2HD1      LEU  28  -5.462   2.177  -4.698
  201   HD13  LEU  28          3HD1      LEU  28  -5.205   2.058  -6.438
  202   HD21  LEU  28          3HD2      LEU  28  -5.072  -1.288  -4.937
  203   HD22  LEU  28          1HD2      LEU  28  -6.115   0.109  -4.668
  204   HD23  LEU  28          2HD2      LEU  28  -4.869  -0.300  -3.492
  205    H    ARG  29           H        ARG  29  -1.308  -1.096  -8.625
  206    HA   ARG  29           HA       ARG  29  -2.926  -3.079 -10.021
  207    HB2  ARG  29           2HB      ARG  29  -0.378  -2.127 -11.209
  208    HB3  ARG  29           1HB      ARG  29  -1.967  -2.325 -11.947
  209    HG2  ARG  29           2HG      ARG  29  -2.751  -0.306 -10.694
  210    HG3  ARG  29           1HG      ARG  29  -1.110  -0.083 -10.092
  211    HD2  ARG  29           2HD      ARG  29  -0.412   0.829 -12.032
  212    HD3  ARG  29           1HD      ARG  29  -1.186  -0.423 -12.995
  213    HE   ARG  29           HE       ARG  29  -2.247   2.183 -12.407
  214   HH11  ARG  29          1HH2      ARG  29  -3.012  -1.132 -13.039
  215   HH12  ARG  29          2HH2      ARG  29  -4.580  -0.790 -13.690
  216   HH21  ARG  29          1HH1      ARG  29  -4.302   2.640 -13.262
  217   HH22  ARG  29          2HH1      ARG  29  -5.310   1.345 -13.815
  218    H    ALA  30           H        ALA  30   0.121  -2.821  -8.349
  219    HA   ALA  30           HA       ALA  30   1.142  -5.351  -9.314
  220    HB1  ALA  30           1HB      ALA  30   2.863  -3.876  -8.749
  221    HB2  ALA  30           2HB      ALA  30   2.780  -4.919  -7.329
  222    HB3  ALA  30           3HB      ALA  30   2.041  -3.320  -7.291
  223    H    ALA  31           H        ALA  31  -1.145  -4.383  -7.053
  224    HA   ALA  31           HA       ALA  31  -0.722  -6.651  -5.253
  225    HB1  ALA  31           1HB      ALA  31  -1.876  -4.062  -5.000
  226    HB2  ALA  31           2HB      ALA  31  -1.667  -5.287  -3.749
  227    HB3  ALA  31           3HB      ALA  31  -3.149  -5.246  -4.704
  228    H    GLY  32           H        GLY  32  -2.642  -5.695  -7.960
  229    HA2  GLY  32           2HA      GLY  32  -3.719  -7.431  -9.274
  230    HA3  GLY  32           1HA      GLY  32  -4.159  -8.227  -7.766
  231    H    PHE  33           H        PHE  33  -4.461  -4.891  -7.496
  232    HA   PHE  33           HA       PHE  33  -7.331  -4.963  -8.211
  233    HB2  PHE  33           2HB      PHE  33  -6.332  -3.362  -5.879
  234    HB3  PHE  33           1HB      PHE  33  -7.953  -3.979  -6.195
  235    HD1  PHE  33           2HD      PHE  33  -7.709  -6.754  -6.719
  236    HD2  PHE  33           1HD      PHE  33  -5.398  -4.366  -3.997
  237    HE1  PHE  33           2HE      PHE  33  -7.194  -8.777  -5.381
  238    HE2  PHE  33           1HE      PHE  33  -4.887  -6.388  -2.658
  239    HZ   PHE  33           HZ       PHE  33  -5.784  -8.593  -3.350
  240    HA   PRO  34           HA       PRO  34  -5.142  -1.277 -10.059
  241    HB2  PRO  34           2HB      PRO  34  -5.717  -1.767 -12.670
  242    HB3  PRO  34           1HB      PRO  34  -4.305  -2.461 -11.850
  243    HG2  PRO  34           2HG      PRO  34  -6.911  -3.717 -12.520
  244    HG3  PRO  34           1HG      PRO  34  -5.282  -4.409 -12.546
  245    HD2  PRO  34           2HD      PRO  34  -7.113  -4.824 -10.513
  246    HD3  PRO  34           1HD      PRO  34  -5.355  -4.981 -10.324
  247    H    GLN  35           H        GLN  35  -8.307  -2.557 -10.024
  248    HA   GLN  35           HA       GLN  35  -9.678  -0.621 -11.562
  249    HB2  GLN  35           2HB      GLN  35 -11.630  -1.295  -9.957
  250    HB3  GLN  35           1HB      GLN  35 -10.989  -2.480 -11.095
  251    HG2  GLN  35           2HG      GLN  35 -11.290  -3.333  -8.730
  252    HG3  GLN  35           1HG      GLN  35  -9.664  -3.526  -9.382
  253   HE21  GLN  35          1HE2      GLN  35 -11.627  -1.608  -7.118
  254   HE22  GLN  35          2HE2      GLN  35 -10.310  -0.944  -6.282
  255    H    TYR  36           H        TYR  36  -7.943  -0.263  -8.716
  256    HA   TYR  36           HA       TYR  36  -9.613   1.861  -7.611
  257    HB2  TYR  36           2HB      TYR  36  -7.006   0.599  -6.779
  258    HB3  TYR  36           1HB      TYR  36  -7.584   2.086  -6.030
  259    HD1  TYR  36           2HD      TYR  36 -10.221   1.984  -5.392
  260    HD2  TYR  36           1HD      TYR  36  -7.582  -1.392  -5.724
  261    HE1  TYR  36           2HE      TYR  36 -11.734   0.657  -3.947
  262    HE2  TYR  36           1HE      TYR  36  -9.095  -2.715  -4.275
  263    HH   TYR  36           HH       TYR  36 -10.845  -2.575  -2.835
  264    H    ALA  37           H        ALA  37  -6.154   1.712  -8.462
  265    HA   ALA  37           HA       ALA  37  -5.467   4.307  -8.599
  266    HB1  ALA  37           1HB      ALA  37  -4.038   2.332  -9.259
  267    HB2  ALA  37           2HB      ALA  37  -3.839   3.763 -10.271
  268    HB3  ALA  37           3HB      ALA  37  -4.800   2.401 -10.848
  269    H    GLN  38           H        GLN  38  -7.409   2.601 -10.995
  270    HA   GLN  38           HA       GLN  38  -7.568   4.417 -13.046
  271    HB2  GLN  38           2HB      GLN  38  -9.310   2.331 -11.937
  272    HB3  GLN  38           1HB      GLN  38 -10.182   3.590 -12.815
  273    HG2  GLN  38           2HG      GLN  38  -7.741   2.178 -13.920
  274    HG3  GLN  38           1HG      GLN  38  -9.393   1.653 -14.246
  275   HE21  GLN  38          1HE2      GLN  38  -6.986   4.114 -14.975
  276   HE22  GLN  38          2HE2      GLN  38  -7.897   4.914 -16.163
  277    H    LEU  39           H        LEU  39  -9.384   4.444  -9.998
  278    HA   LEU  39           HA       LEU  39 -11.047   6.629 -10.490
  279    HB2  LEU  39           2HB      LEU  39  -9.873   5.448  -7.987
  280    HB3  LEU  39           1HB      LEU  39 -10.852   6.907  -7.908
  281    HG   LEU  39           HG       LEU  39 -11.907   4.605  -9.494
  282   HD11  LEU  39          1HD1      LEU  39 -11.529   4.667  -6.524
  283   HD12  LEU  39          2HD1      LEU  39 -11.454   3.299  -7.634
  284   HD13  LEU  39          3HD1      LEU  39 -13.016   3.973  -7.169
  285   HD21  LEU  39          3HD2      LEU  39 -14.043   5.486  -8.620
  286   HD22  LEU  39          1HD2      LEU  39 -13.106   6.769  -9.383
  287   HD23  LEU  39          2HD2      LEU  39 -13.162   6.644  -7.625
  288    H    TYR  40           H        TYR  40  -7.649   6.506  -9.678
  289    HA   TYR  40           HA       TYR  40  -7.180   9.059  -8.691
  290    HB2  TYR  40           2HB      TYR  40  -5.482   7.225  -8.948
  291    HB3  TYR  40           1HB      TYR  40  -5.402   7.620 -10.665
  292    HD1  TYR  40           2HD      TYR  40  -5.279   9.331  -7.327
  293    HD2  TYR  40           1HD      TYR  40  -3.813   9.179 -11.364
  294    HE1  TYR  40           2HE      TYR  40  -3.707  11.182  -6.826
  295    HE2  TYR  40           1HE      TYR  40  -2.240  11.028 -10.861
  296    HH   TYR  40           HH       TYR  40  -1.709  12.161  -7.620
  297    H    GLU  41           H        GLU  41  -6.902   8.075 -12.112
  298    HA   GLU  41           HA       GLU  41  -6.445  10.479 -13.298
  299    HB2  GLU  41           2HB      GLU  41  -8.528   8.653 -14.464
  300    HB3  GLU  41           1HB      GLU  41  -7.265   9.566 -15.290
  301    HG2  GLU  41           2HG      GLU  41  -6.989   7.054 -13.643
  302    HG3  GLU  41           1HG      GLU  41  -6.464   7.340 -15.301
  303    H    ASP  42           H        ASP  42  -9.472   9.350 -11.911
  304    HA   ASP  42           HA       ASP  42 -10.908  11.715 -12.849
  305    HB2  ASP  42           2HB      ASP  42 -11.787   9.228 -12.574
  306    HB3  ASP  42           1HB      ASP  42 -12.086   9.762 -10.921
  307    H    SER  43           H        SER  43  -9.250  10.544 -10.048
  308    HA   SER  43           HA       SER  43  -8.614  11.701  -8.146
  309    HB2  SER  43           2HB      SER  43 -10.481  13.962  -8.646
  310    HB3  SER  43           1HB      SER  43  -8.822  13.980  -8.055
  311    HG   SER  43           HG       SER  43  -8.361  13.174 -10.312
  312    H    GLN  44           H        GLN  44 -11.440  10.348  -8.850
  313    HA   GLN  44           HA       GLN  44 -13.022  11.234  -6.586
  314    HB2  GLN  44           2HB      GLN  44 -13.438   8.901  -8.471
  315    HB3  GLN  44           1HB      GLN  44 -14.619   9.528  -7.320
  316    HG2  GLN  44           2HG      GLN  44 -13.633  11.710  -8.895
  317    HG3  GLN  44           1HG      GLN  44 -14.132  10.415  -9.982
  318   HE21  GLN  44          1HE2      GLN  44 -16.293   9.298  -8.551
  319   HE22  GLN  44          2HE2      GLN  44 -17.520  10.460  -8.397
  320    H    PHE  45           H        PHE  45 -10.313   9.998  -6.246
  321    HA   PHE  45           HA       PHE  45 -10.541   7.395  -5.186
  322    HB2  PHE  45           2HB      PHE  45  -8.512   9.401  -5.408
  323    HB3  PHE  45           1HB      PHE  45  -8.525   8.776  -3.758
  324    HD1  PHE  45           1HD      PHE  45  -8.475   7.721  -7.332
  325    HD2  PHE  45           2HD      PHE  45  -7.653   6.633  -3.262
  326    HE1  PHE  45           1HE      PHE  45  -7.348   5.658  -8.114
  327    HE2  PHE  45           2HE      PHE  45  -6.531   4.563  -4.045
  328    HZ   PHE  45           HZ       PHE  45  -6.384   4.075  -6.466
  329    HA   PRO  46           HA       PRO  46 -11.054   9.588  -0.927
  330    HB2  PRO  46           2HB      PRO  46 -12.661  11.953  -1.647
  331    HB3  PRO  46           1HB      PRO  46 -11.250  11.835  -0.581
  332    HG2  PRO  46           2HG      PRO  46 -11.173  13.013  -3.009
  333    HG3  PRO  46           1HG      PRO  46  -9.777  12.221  -2.263
  334    HD2  PRO  46           2HD      PRO  46 -11.527  11.254  -4.479
  335    HD3  PRO  46           1HD      PRO  46  -9.801  10.951  -4.191
  336    H    ILE  47           H        ILE  47 -12.479   8.154  -0.249
  337    HA   ILE  47           HA       ILE  47 -15.301   8.603  -0.338
  338    HB   ILE  47           HB       ILE  47 -15.729   6.297  -1.448
  339   HG12  ILE  47          2HG1      ILE  47 -13.379   6.713  -3.160
  340   HG13  ILE  47          1HG1      ILE  47 -12.978   6.229  -1.512
  341   HG21  ILE  47          1HG2      ILE  47 -15.995   8.765  -2.475
  342   HG22  ILE  47          2HG2      ILE  47 -16.253   7.319  -3.440
  343   HG23  ILE  47          3HG2      ILE  47 -14.717   8.173  -3.537
  344   HD11  ILE  47          3HD1      ILE  47 -13.312   4.272  -3.011
  345   HD12  ILE  47          1HD1      ILE  47 -14.970   4.800  -3.293
  346   HD13  ILE  47          2HD1      ILE  47 -14.468   4.302  -1.678
  347    H    ASN  48           H        ASN  48 -16.403   6.423   0.484
  348    HA   ASN  48           HA       ASN  48 -15.314   5.893   3.040
  349    HB2  ASN  48           2HB      ASN  48 -17.052   4.090   3.120
  350    HB3  ASN  48           1HB      ASN  48 -17.690   5.669   2.667
  351   HD21  ASN  48          1HD2      ASN  48 -19.289   3.637   1.859
  352   HD22  ASN  48          2HD2      ASN  48 -19.106   3.313   0.202
  353    H    ILE  49           H        ILE  49 -13.218   5.115   2.898
  354    HA   ILE  49           HA       ILE  49 -12.236   3.163   1.179
  355    HB   ILE  49           HB       ILE  49 -11.453   3.855   4.011
  356   HG12  ILE  49          2HG1      ILE  49 -10.147   4.474   1.338
  357   HG13  ILE  49          1HG1      ILE  49 -11.218   5.585   2.186
  358   HG21  ILE  49          1HG2      ILE  49 -10.415   1.809   3.897
  359   HG22  ILE  49          2HG2      ILE  49  -9.236   2.709   2.948
  360   HG23  ILE  49          3HG2      ILE  49 -10.478   1.760   2.136
  361   HD11  ILE  49          3HD1      ILE  49  -8.403   4.946   2.706
  362   HD12  ILE  49          1HD1      ILE  49  -9.403   4.877   4.156
  363   HD13  ILE  49          2HD1      ILE  49  -9.343   6.355   3.198
  364    H    VAL  50           H        VAL  50 -13.118   2.609   4.588
  365    HA   VAL  50           HA       VAL  50 -12.959  -0.064   4.807
  366    HB   VAL  50           HB       VAL  50 -15.478   1.294   5.736
  367   HG11  VAL  50          1HG1      VAL  50 -15.096  -0.146   7.702
  368   HG12  VAL  50          2HG1      VAL  50 -13.604  -0.746   6.976
  369   HG13  VAL  50          3HG1      VAL  50 -15.159  -1.108   6.226
  370   HG21  VAL  50          3HG2      VAL  50 -13.963   2.943   6.377
  371   HG22  VAL  50          1HG2      VAL  50 -12.624   1.803   6.511
  372   HG23  VAL  50          2HG2      VAL  50 -13.868   1.854   7.760
  373    H    ALA  51           H        ALA  51 -15.679   1.627   3.264
  374    HA   ALA  51           HA       ALA  51 -17.280  -0.599   2.723
  375    HB1  ALA  51           1HB      ALA  51 -17.145   1.705   0.818
  376    HB2  ALA  51           2HB      ALA  51 -17.745   1.948   2.458
  377    HB3  ALA  51           3HB      ALA  51 -18.550   0.804   1.385
  378    H    VAL  52           H        VAL  52 -14.416   0.522   1.019
  379    HA   VAL  52           HA       VAL  52 -15.011  -1.225  -1.246
  380    HB   VAL  52           HB       VAL  52 -13.378  -0.139  -2.428
  381   HG11  VAL  52          1HG1      VAL  52 -13.600   1.986  -0.318
  382   HG12  VAL  52          2HG1      VAL  52 -15.033   1.480  -1.214
  383   HG13  VAL  52          3HG1      VAL  52 -13.645   2.148  -2.073
  384   HG21  VAL  52          3HG2      VAL  52 -11.398   0.985  -1.301
  385   HG22  VAL  52          1HG2      VAL  52 -11.425  -0.767  -1.165
  386   HG23  VAL  52          2HG2      VAL  52 -11.913   0.229   0.198
  387    H    LYS  53           H        LYS  53 -12.725  -1.029   1.445
  388    HA   LYS  53           HA       LYS  53 -11.155  -3.272   0.755
  389    HB2  LYS  53           2HB      LYS  53 -11.788  -2.463   3.585
  390    HB3  LYS  53           1HB      LYS  53 -10.293  -3.151   2.947
  391    HG2  LYS  53           2HG      LYS  53 -10.329  -0.962   1.443
  392    HG3  LYS  53           1HG      LYS  53 -11.313  -0.343   2.769
  393    HD2  LYS  53           2HD      LYS  53  -8.553  -1.575   3.032
  394    HD3  LYS  53           1HD      LYS  53  -8.934   0.141   3.166
  395    HE2  LYS  53           2HE      LYS  53  -9.085  -0.324   5.394
  396    HE3  LYS  53           1HE      LYS  53 -10.695  -0.897   4.964
  397    HZ1  LYS  53           3HZ      LYS  53  -9.010  -2.985   4.395
  398    HZ2  LYS  53           1HZ      LYS  53 -10.062  -2.867   5.720
  399    HZ3  LYS  53           2HZ      LYS  53  -8.444  -2.374   5.876
  400    H    ASN  54           H        ASN  54 -14.193  -2.929   2.499
  401    HA   ASN  54           HA       ASN  54 -14.305  -5.670   3.350
  402    HB2  ASN  54           2HB      ASN  54 -16.420  -3.508   3.186
  403    HB3  ASN  54           1HB      ASN  54 -16.674  -5.096   3.914
  404   HD21  ASN  54          1HD2      ASN  54 -13.687  -3.133   4.114
  405   HD22  ASN  54          2HD2      ASN  54 -13.748  -2.928   5.797
  406    H    ASP  55           H        ASP  55 -16.215  -3.805   0.997
  407    HA   ASP  55           HA       ASP  55 -17.779  -5.665  -0.155
  408    HB2  ASP  55           2HB      ASP  55 -16.156  -3.519  -1.515
  409    HB3  ASP  55           1HB      ASP  55 -17.346  -4.495  -2.377
  410    H    HIS  56           H        HIS  56 -14.522  -5.051  -1.516
  411    HA   HIS  56           HA       HIS  56 -14.574  -7.725  -2.709
  412    HB2  HIS  56           2HB      HIS  56 -12.215  -5.959  -3.044
  413    HB3  HIS  56           1HB      HIS  56 -13.061  -6.949  -4.233
  414    HD2  HIS  56           2HD      HIS  56 -12.501  -3.507  -4.402
  415    HE1  HIS  56           1HE      HIS  56 -16.721  -3.492  -4.501
  416    HE2  HIS  56           2HE      HIS  56 -14.637  -2.108  -4.944
  417    H    ASP  57           H        ASP  57 -12.080  -5.821  -1.010
  418    HA   ASP  57           HA       ASP  57 -10.595  -6.388   0.643
  419    HB2  ASP  57           2HB      ASP  57 -12.765  -7.611   1.482
  420    HB3  ASP  57           1HB      ASP  57 -11.889  -9.055   0.990
  421    H    PHE  58           H        PHE  58 -11.459  -9.201  -1.380
  422    HA   PHE  58           HA       PHE  58 -10.144 -10.518  -2.724
  423    HB2  PHE  58           2HB      PHE  58  -7.672  -9.007  -1.921
  424    HB3  PHE  58           1HB      PHE  58  -8.034  -9.827  -3.436
  425    HD1  PHE  58           2HD      PHE  58 -10.270  -8.929  -4.633
  426    HD2  PHE  58           1HD      PHE  58  -7.805  -6.667  -1.938
  427    HE1  PHE  58           2HE      PHE  58 -11.148  -6.820  -5.597
  428    HE2  PHE  58           1HE      PHE  58  -8.686  -4.560  -2.898
  429    HZ   PHE  58           HZ       PHE  58 -10.357  -4.637  -4.731
  430    H    LEU  59           H        LEU  59  -9.328 -12.478  -2.312
  431    HA   LEU  59           HA       LEU  59  -9.256 -13.659   0.102
  432    HB2  LEU  59           2HB      LEU  59  -7.033 -14.574  -1.609
  433    HB3  LEU  59           1HB      LEU  59  -8.395 -15.470  -0.944
  434    HG   LEU  59           HG       LEU  59  -9.844 -14.165  -2.639
  435   HD11  LEU  59          1HD1      LEU  59  -7.566 -14.004  -4.474
  436   HD12  LEU  59          2HD1      LEU  59  -7.429 -12.871  -3.131
  437   HD13  LEU  59          3HD1      LEU  59  -8.847 -12.832  -4.177
  438   HD21  LEU  59          3HD2      LEU  59  -7.829 -16.295  -3.363
  439   HD22  LEU  59          1HD2      LEU  59  -9.059 -15.756  -4.506
  440   HD23  LEU  59          2HD2      LEU  59  -9.539 -16.494  -2.978
  441    H    GLU  60           H        GLU  60  -6.154 -12.773  -1.434
  442    HA   GLU  60           HA       GLU  60  -4.490 -13.084   0.706
  443    HB2  GLU  60           2HB      GLU  60  -4.356 -10.800  -1.279
  444    HB3  GLU  60           1HB      GLU  60  -3.022 -11.407  -0.296
  445    HG2  GLU  60           2HG      GLU  60  -2.644 -13.142  -1.689
  446    HG3  GLU  60           1HG      GLU  60  -4.361 -13.531  -1.796
  447    H    LYS  61           H        LYS  61  -5.323 -12.557   2.698
  448    HA   LYS  61           HA       LYS  61  -6.558 -10.073   3.312
  449    HB2  LYS  61           2HB      LYS  61  -6.840 -12.169   4.646
  450    HB3  LYS  61           1HB      LYS  61  -5.176 -11.997   5.199
  451    HG2  LYS  61           2HG      LYS  61  -6.676 -11.064   6.882
  452    HG3  LYS  61           1HG      LYS  61  -5.750  -9.760   6.145
  453    HD2  LYS  61           2HD      LYS  61  -7.586  -8.888   5.053
  454    HD3  LYS  61           1HD      LYS  61  -8.382 -10.453   4.910
  455    HE2  LYS  61           2HE      LYS  61  -9.205 -10.380   7.097
  456    HE3  LYS  61           1HE      LYS  61  -7.983  -9.222   7.623
  457    HZ1  LYS  61           3HZ      LYS  61  -9.234  -7.513   6.979
  458    HZ2  LYS  61           1HZ      LYS  61 -10.522  -8.613   6.899
  459    HZ3  LYS  61           2HZ      LYS  61  -9.641  -8.236   5.497
  460    H    ASP  62           H        ASP  62  -3.244 -11.236   3.390
  461    HA   ASP  62           HA       ASP  62  -2.124  -9.109   4.894
  462    HB2  ASP  62           2HB      ASP  62  -0.026  -9.840   3.450
  463    HB3  ASP  62           1HB      ASP  62  -0.657 -10.880   4.726
  464    H    LEU  63           H        LEU  63  -3.553  -9.134   1.861
  465    HA   LEU  63           HA       LEU  63  -1.955  -6.870   0.882
  466    HB2  LEU  63           2HB      LEU  63  -2.951  -9.083  -0.436
  467    HB3  LEU  63           1HB      LEU  63  -4.133  -7.838  -0.829
  468    HG   LEU  63           HG       LEU  63  -2.277  -6.349  -1.567
  469   HD11  LEU  63          1HD1      LEU  63  -0.206  -6.849  -0.815
  470   HD12  LEU  63          2HD1      LEU  63  -0.181  -8.142  -2.015
  471   HD13  LEU  63          3HD1      LEU  63  -0.693  -8.483  -0.362
  472   HD21  LEU  63          3HD2      LEU  63  -2.907  -7.263  -3.536
  473   HD22  LEU  63          1HD2      LEU  63  -3.119  -8.852  -2.806
  474   HD23  LEU  63          2HD2      LEU  63  -1.527  -8.346  -3.370
  475    H    VAL  64           H        VAL  64  -4.620  -7.406   2.741
  476    HA   VAL  64           HA       VAL  64  -6.296  -5.284   1.672
  477    HB   VAL  64           HB       VAL  64  -6.470  -7.063   4.102
  478   HG11  VAL  64          1HG1      VAL  64  -8.075  -4.624   3.347
  479   HG12  VAL  64          2HG1      VAL  64  -7.396  -5.049   4.919
  480   HG13  VAL  64          3HG1      VAL  64  -8.794  -5.926   4.294
  481   HG21  VAL  64          3HG2      VAL  64  -8.246  -8.094   2.947
  482   HG22  VAL  64          1HG2      VAL  64  -7.079  -7.766   1.667
  483   HG23  VAL  64          2HG2      VAL  64  -8.476  -6.710   1.881
  484    H    GLU  65           H        GLU  65  -4.047  -5.811   4.334
  485    HA   GLU  65           HA       GLU  65  -4.494  -3.452   5.775
  486    HB2  GLU  65           2HB      GLU  65  -2.362  -5.463   5.592
  487    HB3  GLU  65           1HB      GLU  65  -1.790  -3.857   6.044
  488    HG2  GLU  65           2HG      GLU  65  -4.183  -5.131   7.375
  489    HG3  GLU  65           1HG      GLU  65  -2.540  -5.382   7.965
  490    HA   PRO  66           HA       PRO  66  -0.952  -1.322   3.208
  491    HB2  PRO  66           2HB      PRO  66  -0.630  -2.555   0.694
  492    HB3  PRO  66           1HB      PRO  66   0.503  -2.633   2.054
  493    HG2  PRO  66           2HG      PRO  66  -1.511  -4.596   1.151
  494    HG3  PRO  66           1HG      PRO  66   0.059  -4.857   1.930
  495    HD2  PRO  66           2HD      PRO  66  -2.270  -5.157   3.271
  496    HD3  PRO  66           1HD      PRO  66  -0.798  -4.562   4.067
  497    H    LEU  67           H        LEU  67  -3.658  -2.943   1.623
  498    HA   LEU  67           HA       LEU  67  -4.196  -1.118  -0.428
  499    HB2  LEU  67           2HB      LEU  67  -5.297  -3.372  -0.039
  500    HB3  LEU  67           1HB      LEU  67  -6.296  -2.580   1.178
  501    HG   LEU  67           HG       LEU  67  -6.588  -0.848  -0.900
  502   HD11  LEU  67          1HD1      LEU  67  -6.681  -3.561  -2.211
  503   HD12  LEU  67          2HD1      LEU  67  -5.212  -2.587  -2.252
  504   HD13  LEU  67          3HD1      LEU  67  -6.698  -1.969  -2.971
  505   HD21  LEU  67          3HD2      LEU  67  -8.771  -1.970  -1.267
  506   HD22  LEU  67          1HD2      LEU  67  -8.394  -1.834   0.450
  507   HD23  LEU  67          2HD2      LEU  67  -8.187  -3.377  -0.378
  508    H    CYS  68           H        CYS  68  -5.187  -1.112   2.975
  509    HA   CYS  68           HA       CYS  68  -6.865   1.177   2.793
  510    HB2  CYS  68           2HB      CYS  68  -7.039   1.046   5.119
  511    HB3  CYS  68           1HB      CYS  68  -6.696  -0.624   4.667
  512    HG   CYS  68           HG       CYS  68  -4.191   1.037   5.319
  513    H    ARG  69           H        ARG  69  -3.431   0.717   3.186
  514    HA   ARG  69           HA       ARG  69  -2.810   3.321   4.159
  515    HB2  ARG  69           2HB      ARG  69  -1.397   0.950   3.560
  516    HB3  ARG  69           1HB      ARG  69  -0.675   2.223   2.580
  517    HG2  ARG  69           2HG      ARG  69  -0.526   3.649   4.635
  518    HG3  ARG  69           1HG      ARG  69  -1.103   2.276   5.581
  519    HD2  ARG  69           2HD      ARG  69   1.001   1.297   3.966
  520    HD3  ARG  69           1HD      ARG  69   1.567   2.823   4.638
  521    HE   ARG  69           HE       ARG  69   1.593   1.827   6.740
  522   HH11  ARG  69          1HH2      ARG  69  -0.217  -0.063   4.477
  523   HH12  ARG  69          2HH2      ARG  69  -0.407  -1.413   5.546
  524   HH21  ARG  69          1HH1      ARG  69   1.348   0.062   8.147
  525   HH22  ARG  69          2HH1      ARG  69   0.480  -1.342   7.624
  526    H    ARG  70           H        ARG  70  -2.801   1.875   0.909
  527    HA   ARG  70           HA       ARG  70  -1.925   4.204  -0.448
  528    HB2  ARG  70           2HB      ARG  70  -3.665   2.004  -1.580
  529    HB3  ARG  70           1HB      ARG  70  -2.590   3.068  -2.470
  530    HG2  ARG  70           2HG      ARG  70  -1.890   0.774  -0.662
  531    HG3  ARG  70           1HG      ARG  70  -1.353   1.080  -2.304
  532    HD2  ARG  70           2HD      ARG  70  -0.124   3.119  -1.388
  533    HD3  ARG  70           1HD      ARG  70  -0.472   2.494   0.220
  534    HE   ARG  70           HE       ARG  70   0.667   0.368  -1.048
  535   HH11  ARG  70          1HH2      ARG  70   1.516   3.691  -0.591
  536   HH12  ARG  70          2HH2      ARG  70   3.224   3.405  -0.630
  537   HH21  ARG  70          1HH1      ARG  70   2.904  -0.017  -1.106
  538   HH22  ARG  70          2HH1      ARG  70   4.009   1.305  -0.922
  539    H    LEU  71           H        LEU  71  -5.191   2.764  -0.574
  540    HA   LEU  71           HA       LEU  71  -6.560   4.803  -1.736
  541    HB2  LEU  71           2HB      LEU  71  -7.544   3.204   0.636
  542    HB3  LEU  71           1HB      LEU  71  -8.559   4.054  -0.528
  543    HG   LEU  71           HG       LEU  71  -6.571   1.979  -1.451
  544   HD11  LEU  71          1HD1      LEU  71  -7.845   0.790   0.191
  545   HD12  LEU  71          2HD1      LEU  71  -8.536   0.371  -1.378
  546   HD13  LEU  71          3HD1      LEU  71  -9.348   1.543  -0.339
  547   HD21  LEU  71          3HD2      LEU  71  -8.311   3.701  -2.790
  548   HD22  LEU  71          1HD2      LEU  71  -9.195   2.177  -2.745
  549   HD23  LEU  71          2HD2      LEU  71  -7.587   2.244  -3.466
  550    H    ASN  72           H        ASN  72  -5.940   4.526   1.762
  551    HA   ASN  72           HA       ASN  72  -7.158   6.912   2.554
  552    HB2  ASN  72           2HB      ASN  72  -6.354   5.172   4.117
  553    HB3  ASN  72           1HB      ASN  72  -4.692   5.619   3.740
  554   HD21  ASN  72          1HD2      ASN  72  -7.738   7.302   4.733
  555   HD22  ASN  72          2HD2      ASN  72  -6.970   8.330   5.843
  556    H    THR  73           H        THR  73  -3.937   6.305   1.257
  557    HA   THR  73           HA       THR  73  -2.957   8.956   1.711
  558    HB   THR  73           HB       THR  73  -1.980   6.960  -0.342
  559    HG1  THR  73           1HG      THR  73  -0.969   5.967   1.243
  560   HG21  THR  73          3HG2      THR  73  -0.339   8.451  -0.719
  561   HG22  THR  73          1HG2      THR  73   0.003   8.573   1.006
  562   HG23  THR  73          2HG2      THR  73  -1.224   9.605   0.275
  563    H    LEU  74           H        LEU  74  -3.848   7.300  -1.343
  564    HA   LEU  74           HA       LEU  74  -3.770   9.550  -2.976
  565    HB2  LEU  74           2HB      LEU  74  -5.221   6.938  -3.097
  566    HB3  LEU  74           1HB      LEU  74  -5.675   8.198  -4.242
  567    HG   LEU  74           HG       LEU  74  -2.824   7.254  -3.812
  568   HD11  LEU  74          1HD1      LEU  74  -4.365   5.485  -4.733
  569   HD12  LEU  74          2HD1      LEU  74  -3.065   5.947  -5.830
  570   HD13  LEU  74          3HD1      LEU  74  -4.698   6.561  -6.089
  571   HD21  LEU  74          3HD2      LEU  74  -4.047   9.440  -5.296
  572   HD22  LEU  74          1HD2      LEU  74  -3.190   8.343  -6.378
  573   HD23  LEU  74          2HD2      LEU  74  -2.339   9.093  -5.030
  574    H    ASN  75           H        ASN  75  -6.361   8.342  -0.906
  575    HA   ASN  75           HA       ASN  75  -8.441  10.003  -1.763
  576    HB2  ASN  75           2HB      ASN  75  -7.803   8.812   0.935
  577    HB3  ASN  75           1HB      ASN  75  -9.277   9.726   0.627
  578   HD21  ASN  75          1HD2      ASN  75  -9.863   7.214   1.309
  579   HD22  ASN  75          2HD2      ASN  75 -10.214   6.241  -0.035
  580    H    LYS  76           H        LYS  76  -5.603  10.698   0.101
  581    HA   LYS  76           HA       LYS  76  -6.627  13.293   0.985
  582    HB2  LYS  76           2HB      LYS  76  -4.051  11.793   1.475
  583    HB3  LYS  76           1HB      LYS  76  -4.309  13.449   2.014
  584    HG2  LYS  76           2HG      LYS  76  -6.328  12.711   3.256
  585    HG3  LYS  76           1HG      LYS  76  -5.998  11.051   2.762
  586    HD2  LYS  76           2HD      LYS  76  -3.620  12.249   3.899
  587    HD3  LYS  76           1HD      LYS  76  -4.969  12.377   5.027
  588    HE2  LYS  76           2HE      LYS  76  -3.992   9.841   3.683
  589    HE3  LYS  76           1HE      LYS  76  -3.811  10.257   5.386
  590    HZ1  LYS  76           3HZ      LYS  76  -6.446  10.548   5.038
  591    HZ2  LYS  76           1HZ      LYS  76  -5.717   9.126   5.599
  592    HZ3  LYS  76           2HZ      LYS  76  -6.127   9.278   3.957
  593    H    CYS  77           H        CYS  77  -4.022  11.950  -1.019
  594    HA   CYS  77           HA       CYS  77  -3.054  14.481  -1.916
  595    HB2  CYS  77           2HB      CYS  77  -1.390  13.025  -2.355
  596    HB3  CYS  77           1HB      CYS  77  -2.492  11.648  -2.398
  597    HG   CYS  77           HG       CYS  77  -2.937  12.066  -4.885
  598    H    ALA  78           H        ALA  78  -5.681  12.451  -2.849
  599    HA   ALA  78           HA       ALA  78  -5.943  13.278  -5.557
  600    HB1  ALA  78           1HB      ALA  78  -7.110  11.314  -4.981
  601    HB2  ALA  78           2HB      ALA  78  -8.376  12.529  -5.167
  602    HB3  ALA  78           3HB      ALA  78  -7.834  12.060  -3.554
  603    H    SER  79           H        SER  79  -6.136  15.073  -2.801
  604    HA   SER  79           HA       SER  79  -8.380  16.751  -3.604
  605    HB2  SER  79           2HB      SER  79  -8.121  17.840  -1.534
  606    HB3  SER  79           1HB      SER  79  -7.720  16.162  -1.181
  607    HG   SER  79           HG       SER  79  -6.223  17.906  -0.442
  608    H    MET  80           H        MET  80  -5.473  16.412  -4.867
  609    HA   MET  80           HA       MET  80  -4.647  19.209  -4.923
  610    HB2  MET  80           2HB      MET  80  -3.443  16.617  -5.587
  611    HB3  MET  80           1HB      MET  80  -3.068  17.892  -6.747
  612    HG2  MET  80           2HG      MET  80  -1.419  17.820  -4.892
  613    HG3  MET  80           1HG      MET  80  -2.294  19.350  -4.935
  614    HE1  MET  80           3HE      MET  80  -1.677  18.945  -1.259
  615    HE2  MET  80           1HE      MET  80  -2.455  20.203  -2.228
  616    HE3  MET  80           2HE      MET  80  -1.009  19.394  -2.826
  617    H    LYS  81           H        LYS  81  -4.729  16.955  -7.648
  618    HA   LYS  81           HA       LYS  81  -5.891  19.062  -9.310
  619    HB2  LYS  81           2HB      LYS  81  -3.854  17.625  -9.960
  620    HB3  LYS  81           1HB      LYS  81  -5.022  16.335 -10.253
  621    HG2  LYS  81           2HG      LYS  81  -5.077  17.273 -12.342
  622    HG3  LYS  81           1HG      LYS  81  -6.248  18.345 -11.573
  623    HD2  LYS  81           2HD      LYS  81  -4.338  19.886 -10.993
  624    HD3  LYS  81           1HD      LYS  81  -3.291  18.864 -11.979
  625    HE2  LYS  81           2HE      LYS  81  -3.911  20.238 -13.680
  626    HE3  LYS  81           1HE      LYS  81  -5.395  19.286 -13.684
  627    HZ1  LYS  81           3HZ      LYS  81  -6.563  20.961 -12.811
  628    HZ2  LYS  81           1HZ      LYS  81  -5.283  21.948 -13.325
  629    HZ3  LYS  81           2HZ      LYS  81  -5.336  21.397 -11.718
  Start of MODEL   10
    1    H1   MET   1           1HT      MET   1   8.960  -8.008 -21.456
    2    H2   MET   1           2HT      MET   1  10.567  -8.549 -21.566
    3    H3   MET   1           3HT      MET   1   9.315  -9.442 -22.289
    4    HA   MET   1           HA       MET   1  10.696  -8.079 -23.855
    5    HB2  MET   1           2HB      MET   1   7.703  -7.673 -23.612
    6    HB3  MET   1           1HB      MET   1   8.635  -7.184 -25.026
    7    HG2  MET   1           2HG      MET   1   9.127  -9.951 -24.110
    8    HG3  MET   1           1HG      MET   1   7.504  -9.651 -24.731
    9    HE1  MET   1           2HE      MET   1   8.204 -11.531 -26.595
   10    HE2  MET   1           3HE      MET   1   9.777 -11.576 -25.805
   11    HE3  MET   1           1HE      MET   1   9.671 -11.393 -27.562
   12    H    HIS   2           H        HIS   2   8.058  -5.944 -22.906
   13    HA   HIS   2           HA       HIS   2   9.972  -3.715 -22.784
   14    HB2  HIS   2           2HB      HIS   2   7.046  -3.955 -23.348
   15    HB3  HIS   2           1HB      HIS   2   7.659  -2.438 -22.692
   16    HD2  HIS   2           2HD      HIS   2   7.686  -0.950 -25.071
   17    HE1  HIS   2           1HE      HIS   2  10.124  -3.580 -27.298
   18    HE2  HIS   2           2HE      HIS   2   9.003  -1.302 -27.298
   19    H    HIS   3           H        HIS   3   9.054  -1.904 -21.209
   20    HA   HIS   3           HA       HIS   3   9.010  -1.259 -18.999
   21    HB2  HIS   3           2HB      HIS   3   7.052  -3.557 -18.768
   22    HB3  HIS   3           1HB      HIS   3   7.166  -2.155 -17.704
   23    HD2  HIS   3           2HD      HIS   3   4.357  -1.860 -18.833
   24    HE1  HIS   3           1HE      HIS   3   5.858   0.080 -22.270
   25    HE2  HIS   3           2HE      HIS   3   3.765  -0.395 -20.913
   26    H    HIS   4           H        HIS   4   8.966  -2.319 -16.622
   27    HA   HIS   4           HA       HIS   4  10.504  -4.768 -16.437
   28    HB2  HIS   4           2HB      HIS   4  12.093  -2.744 -16.938
   29    HB3  HIS   4           1HB      HIS   4  11.811  -2.347 -15.243
   30    HD2  HIS   4           2HD      HIS   4  12.925  -5.674 -17.164
   31    HE1  HIS   4           1HE      HIS   4  14.918  -5.456 -13.449
   32    HE2  HIS   4           2HE      HIS   4  14.654  -6.817 -15.576
   33    H    HIS   5           H        HIS   5  11.289  -4.926 -13.987
   34    HA   HIS   5           HA       HIS   5   8.910  -4.906 -12.417
   35    HB2  HIS   5           2HB      HIS   5  11.220  -6.315 -12.303
   36    HB3  HIS   5           1HB      HIS   5  11.510  -5.137 -11.024
   37    HD2  HIS   5           2HD      HIS   5   8.566  -7.678 -11.923
   38    HE1  HIS   5           1HE      HIS   5   8.735  -7.156  -7.738
   39    HE2  HIS   5           2HE      HIS   5   7.568  -8.398  -9.620
   40    H    HIS   6           H        HIS   6  11.945  -3.045 -12.211
   41    HA   HIS   6           HA       HIS   6  12.314  -0.891 -11.464
   42    HB2  HIS   6           2HB      HIS   6   9.753  -0.728 -12.321
   43    HB3  HIS   6           1HB      HIS   6   9.523  -0.418 -10.600
   44    HD2  HIS   6           2HD      HIS   6  11.900   1.539  -9.823
   45    HE1  HIS   6           1HE      HIS   6  11.033   3.732 -13.324
   46    HE2  HIS   6           2HE      HIS   6  12.227   3.802 -11.084
   47    H    HIS   7           H        HIS   7  10.470  -3.199  -9.644
   48    HA   HIS   7           HA       HIS   7  10.251  -3.587  -7.379
   49    HB2  HIS   7           2HB      HIS   7  12.962  -3.507  -8.120
   50    HB3  HIS   7           1HB      HIS   7  12.858  -2.629  -6.593
   51    HD2  HIS   7           2HD      HIS   7  11.985  -4.204  -4.369
   52    HE1  HIS   7           1HE      HIS   7  12.091  -7.895  -6.418
   53    HE2  HIS   7           2HE      HIS   7  11.853  -6.802  -4.138
   54    H    SER   8           H        SER   8  11.226  -2.450  -5.124
   55    HA   SER   8           HA       SER   8  10.861   0.432  -5.209
   56    HB2  SER   8           2HB      SER   8   8.583  -1.073  -4.937
   57    HB3  SER   8           1HB      SER   8   9.036  -0.790  -3.258
   58    HG   SER   8           HG       SER   8   8.048   1.047  -3.660
   59    H    SER   9           H        SER   9  10.264   0.750  -2.472
   60    HA   SER   9           HA       SER   9  12.389  -0.680  -1.041
   61    HB2  SER   9           2HB      SER   9  13.783   1.070  -0.934
   62    HB3  SER   9           1HB      SER   9  12.739   1.928  -2.065
   63    HG   SER   9           HG       SER   9  12.697   1.932   0.765
   64    H    GLY  10           H        GLY  10  12.389   0.197   1.344
   65    HA2  GLY  10           2HA      GLY  10   9.568   0.210   2.218
   66    HA3  GLY  10           1HA      GLY  10  10.922  -0.391   3.168
   67    H    LEU  11           H        LEU  11  10.734   2.644   1.351
   68    HA   LEU  11           HA       LEU  11  11.263   4.096   3.864
   69    HB2  LEU  11           2HB      LEU  11  12.341   4.283   1.222
   70    HB3  LEU  11           1HB      LEU  11  11.520   5.797   1.600
   71    HG   LEU  11           HG       LEU  11  12.760   5.896   3.757
   72   HD11  LEU  11          1HD1      LEU  11  13.359   3.189   3.047
   73   HD12  LEU  11          2HD1      LEU  11  13.786   4.047   4.527
   74   HD13  LEU  11          3HD1      LEU  11  14.877   4.081   3.142
   75   HD21  LEU  11          3HD2      LEU  11  13.812   7.196   2.129
   76   HD22  LEU  11          1HD2      LEU  11  14.171   5.805   1.106
   77   HD23  LEU  11          2HD2      LEU  11  15.112   6.088   2.572
   78    H    VAL  12           H        VAL  12   9.669   5.228   4.748
   79    HA   VAL  12           HA       VAL  12   7.567   6.351   3.007
   80    HB   VAL  12           HB       VAL  12   7.118   4.889   5.621
   81   HG11  VAL  12          1HG1      VAL  12   4.681   5.344   4.362
   82   HG12  VAL  12          2HG1      VAL  12   5.555   6.859   4.130
   83   HG13  VAL  12          3HG1      VAL  12   5.302   6.227   5.757
   84   HG21  VAL  12          3HG2      VAL  12   6.489   4.247   2.728
   85   HG22  VAL  12          1HG2      VAL  12   5.716   3.422   4.082
   86   HG23  VAL  12          2HG2      VAL  12   7.460   3.298   3.853
   87    HA   PRO  13           HA       PRO  13   9.229   9.406   6.103
   88    HB2  PRO  13           2HB      PRO  13  10.245  11.214   4.347
   89    HB3  PRO  13           1HB      PRO  13  11.167   9.809   4.916
   90    HG2  PRO  13           2HG      PRO  13   9.790  10.245   2.327
   91    HG3  PRO  13           1HG      PRO  13  11.292   9.377   2.678
   92    HD2  PRO  13           2HD      PRO  13   8.819   8.166   2.244
   93    HD3  PRO  13           1HD      PRO  13  10.196   7.402   3.065
   94    H    ARG  14           H        ARG  14   8.429  11.558   6.536
   95    HA   ARG  14           HA       ARG  14   5.763  11.988   5.538
   96    HB2  ARG  14           2HB      ARG  14   5.665  13.801   7.135
   97    HB3  ARG  14           1HB      ARG  14   6.442  12.419   7.905
   98    HG2  ARG  14           2HG      ARG  14   8.101  13.865   8.439
   99    HG3  ARG  14           1HG      ARG  14   8.577  13.735   6.747
  100    HD2  ARG  14           2HD      ARG  14   8.364  16.067   7.140
  101    HD3  ARG  14           1HD      ARG  14   6.889  15.613   6.292
  102    HE   ARG  14           HE       ARG  14   6.484  15.419   9.094
  103   HH11  ARG  14          1HH2      ARG  14   6.930  17.696   6.529
  104   HH12  ARG  14          2HH2      ARG  14   6.023  18.953   7.300
  105   HH21  ARG  14          1HH1      ARG  14   5.292  17.062  10.113
  106   HH22  ARG  14          2HH1      ARG  14   5.094  18.594   9.328
  107    H    GLY  15           H        GLY  15   5.002  13.892   4.494
  108    HA2  GLY  15           2HA      GLY  15   5.126  15.747   3.104
  109    HA3  GLY  15           1HA      GLY  15   6.860  15.813   3.404
  110    H    SER  16           H        SER  16   5.931  12.708   2.522
  111    HA   SER  16           HA       SER  16   6.960  13.137  -0.205
  112    HB2  SER  16           2HB      SER  16   8.190  11.499   1.119
  113    HB3  SER  16           1HB      SER  16   6.704  10.614   1.449
  114    HG   SER  16           HG       SER  16   7.061  11.075  -1.204
  115    H    GLN  17           H        GLN  17   4.078  13.293   1.094
  116    HA   GLN  17           HA       GLN  17   2.335  11.437   0.157
  117    HB2  GLN  17           2HB      GLN  17   2.204  14.259   0.756
  118    HB3  GLN  17           1HB      GLN  17   1.156  13.871  -0.609
  119    HG2  GLN  17           2HG      GLN  17   1.172  12.319   1.992
  120    HG3  GLN  17           1HG      GLN  17   0.042  13.622   1.637
  121   HE21  GLN  17          1HE2      GLN  17  -1.545  11.681   1.937
  122   HE22  GLN  17          2HE2      GLN  17  -1.898  10.773   0.547
  123    H    GLU  18           H        GLU  18   4.338  13.520  -1.749
  124    HA   GLU  18           HA       GLU  18   2.892  13.341  -4.198
  125    HB2  GLU  18           2HB      GLU  18   5.873  13.728  -3.939
  126    HB3  GLU  18           1HB      GLU  18   4.805  14.318  -5.213
  127    HG2  GLU  18           2HG      GLU  18   4.868  15.223  -2.322
  128    HG3  GLU  18           1HG      GLU  18   5.302  16.174  -3.741
  129    H    ILE  19           H        ILE  19   6.074  11.901  -3.470
  130    HA   ILE  19           HA       ILE  19   5.987   9.982  -5.510
  131    HB   ILE  19           HB       ILE  19   7.506  10.167  -2.918
  132   HG12  ILE  19          2HG1      ILE  19   8.823   9.926  -5.559
  133   HG13  ILE  19          1HG1      ILE  19   7.857  11.384  -5.331
  134   HG21  ILE  19          1HG2      ILE  19   7.417   7.840  -3.086
  135   HG22  ILE  19          2HG2      ILE  19   8.849   8.209  -4.048
  136   HG23  ILE  19          3HG2      ILE  19   7.314   7.871  -4.847
  137   HD11  ILE  19          3HD1      ILE  19   9.912  10.438  -3.319
  138   HD12  ILE  19          1HD1      ILE  19   9.095  12.001  -3.368
  139   HD13  ILE  19          2HD1      ILE  19  10.281  11.587  -4.606
  140    H    GLU  20           H        GLU  20   4.660   9.991  -2.284
  141    HA   GLU  20           HA       GLU  20   4.148   7.197  -2.083
  142    HB2  GLU  20           2HB      GLU  20   3.606   9.586  -0.535
  143    HB3  GLU  20           1HB      GLU  20   2.199   8.522  -0.575
  144    HG2  GLU  20           2HG      GLU  20   5.000   7.571   0.074
  145    HG3  GLU  20           1HG      GLU  20   3.818   8.031   1.297
  146    H    ALA  21           H        ALA  21   2.256   9.964  -3.223
  147    HA   ALA  21           HA       ALA  21  -0.195   8.684  -3.624
  148    HB1  ALA  21           1HB      ALA  21  -0.452  10.927  -3.943
  149    HB2  ALA  21           2HB      ALA  21  -0.222  10.470  -5.631
  150    HB3  ALA  21           3HB      ALA  21   1.131  11.109  -4.699
  151    H    LYS  22           H        LYS  22   2.330   9.322  -6.077
  152    HA   LYS  22           HA       LYS  22   1.181   7.897  -8.170
  153    HB2  LYS  22           2HB      LYS  22   4.155   7.837  -7.757
  154    HB3  LYS  22           1HB      LYS  22   3.247   8.003  -9.256
  155    HG2  LYS  22           2HG      LYS  22   3.540  10.096  -7.080
  156    HG3  LYS  22           1HG      LYS  22   4.251  10.148  -8.686
  157    HD2  LYS  22           2HD      LYS  22   1.283  10.210  -8.053
  158    HD3  LYS  22           1HD      LYS  22   2.258  11.563  -8.618
  159    HE2  LYS  22           2HE      LYS  22   2.853   9.895 -10.589
  160    HE3  LYS  22           1HE      LYS  22   1.323   9.153 -10.129
  161    HZ1  LYS  22           3HZ      LYS  22   1.615  11.311 -11.750
  162    HZ2  LYS  22           1HZ      LYS  22   1.188  12.013 -10.268
  163    HZ3  LYS  22           2HZ      LYS  22   0.177  10.843 -10.974
  164    H    GLU  23           H        GLU  23   3.402   6.728  -5.658
  165    HA   GLU  23           HA       GLU  23   3.571   4.067  -6.600
  166    HB2  GLU  23           2HB      GLU  23   4.267   5.524  -4.131
  167    HB3  GLU  23           1HB      GLU  23   3.890   3.817  -3.896
  168    HG2  GLU  23           2HG      GLU  23   5.769   4.745  -6.070
  169    HG3  GLU  23           1HG      GLU  23   6.335   4.400  -4.437
  170    H    ALA  24           H        ALA  24   1.586   5.559  -4.073
  171    HA   ALA  24           HA       ALA  24   0.110   3.471  -3.192
  172    HB1  ALA  24           1HB      ALA  24  -1.828   5.376  -3.372
  173    HB2  ALA  24           2HB      ALA  24  -0.373   6.356  -3.521
  174    HB3  ALA  24           3HB      ALA  24  -0.604   5.332  -2.104
  175    H    CYS  25           H        CYS  25  -0.330   5.220  -6.222
  176    HA   CYS  25           HA       CYS  25  -2.627   3.579  -6.950
  177    HB2  CYS  25           2HB      CYS  25  -1.416   6.066  -7.874
  178    HB3  CYS  25           1HB      CYS  25  -1.853   4.996  -9.207
  179    HG   CYS  25           HG       CYS  25  -3.994   5.580  -7.020
  180    H    ASP  26           H        ASP  26   0.754   3.998  -7.936
  181    HA   ASP  26           HA       ASP  26   0.686   2.131 -10.074
  182    HB2  ASP  26           2HB      ASP  26   2.476   3.940  -9.417
  183    HB3  ASP  26           1HB      ASP  26   3.176   2.619  -8.483
  184    H    TRP  27           H        TRP  27   0.623   1.740  -6.690
  185    HA   TRP  27           HA       TRP  27   1.820  -0.913  -6.710
  186    HB2  TRP  27           2HB      TRP  27   2.163   0.575  -4.774
  187    HB3  TRP  27           1HB      TRP  27   0.423   0.595  -4.486
  188    HD1  TRP  27           HD       TRP  27   3.474  -1.691  -4.293
  189    HE1  TRP  27           1HE      TRP  27   2.879  -3.749  -2.856
  190    HE3  TRP  27           3HE      TRP  27  -1.532  -0.910  -3.659
  191    HZ2  TRP  27           2HZ      TRP  27   0.583  -4.908  -1.605
  192    HZ3  TRP  27           3HZ      TRP  27  -2.898  -2.502  -2.343
  193    HH2  TRP  27           HH       TRP  27  -1.847  -4.499  -1.317
  194    H    LEU  28           H        LEU  28  -1.385   0.562  -6.378
  195    HA   LEU  28           HA       LEU  28  -2.954  -1.562  -5.672
  196    HB2  LEU  28           2HB      LEU  28  -3.334   0.870  -7.288
  197    HB3  LEU  28           1HB      LEU  28  -4.456  -0.424  -7.689
  198    HG   LEU  28           HG       LEU  28  -5.388   1.051  -5.960
  199   HD11  LEU  28          1HD1      LEU  28  -5.426  -1.670  -5.931
  200   HD12  LEU  28          2HD1      LEU  28  -6.366  -0.659  -4.833
  201   HD13  LEU  28          3HD1      LEU  28  -4.823  -1.331  -4.309
  202   HD21  LEU  28          3HD2      LEU  28  -2.729   0.720  -4.798
  203   HD22  LEU  28          1HD2      LEU  28  -4.019   0.448  -3.629
  204   HD23  LEU  28          2HD2      LEU  28  -3.931   1.971  -4.515
  205    H    ARG  29           H        ARG  29  -1.529  -0.899  -8.824
  206    HA   ARG  29           HA       ARG  29  -2.839  -3.035 -10.196
  207    HB2  ARG  29           2HB      ARG  29  -0.182  -1.894 -11.018
  208    HB3  ARG  29           1HB      ARG  29  -1.507  -2.461 -12.035
  209    HG2  ARG  29           2HG      ARG  29  -2.782  -0.498 -10.682
  210    HG3  ARG  29           1HG      ARG  29  -1.145   0.157 -10.683
  211    HD2  ARG  29           2HD      ARG  29  -1.037  -0.120 -13.135
  212    HD3  ARG  29           1HD      ARG  29  -2.677  -0.764 -13.133
  213    HE   ARG  29           HE       ARG  29  -3.469   1.407 -12.921
  214   HH11  ARG  29          1HH2      ARG  29  -0.106   1.229 -12.124
  215   HH12  ARG  29          2HH2      ARG  29   0.100   2.944 -12.011
  216   HH21  ARG  29          1HH1      ARG  29  -3.204   3.660 -12.778
  217   HH22  ARG  29          2HH1      ARG  29  -1.654   4.321 -12.382
  218    H    ALA  30           H        ALA  30   0.221  -2.713  -8.472
  219    HA   ALA  30           HA       ALA  30   1.244  -5.265  -9.267
  220    HB1  ALA  30           1HB      ALA  30   2.123  -3.028  -7.673
  221    HB2  ALA  30           2HB      ALA  30   3.084  -4.293  -8.439
  222    HB3  ALA  30           3HB      ALA  30   2.430  -4.540  -6.820
  223    H    ALA  31           H        ALA  31  -1.257  -4.383  -7.230
  224    HA   ALA  31           HA       ALA  31  -0.895  -6.592  -5.348
  225    HB1  ALA  31           1HB      ALA  31  -2.912  -4.365  -5.596
  226    HB2  ALA  31           2HB      ALA  31  -1.731  -4.630  -4.315
  227    HB3  ALA  31           3HB      ALA  31  -3.125  -5.699  -4.464
  228    H    GLY  32           H        GLY  32  -2.211  -6.097  -8.395
  229    HA2  GLY  32           2HA      GLY  32  -3.147  -7.844  -9.701
  230    HA3  GLY  32           1HA      GLY  32  -3.696  -8.625  -8.220
  231    H    PHE  33           H        PHE  33  -4.265  -5.329  -8.097
  232    HA   PHE  33           HA       PHE  33  -6.976  -5.569  -9.234
  233    HB2  PHE  33           2HB      PHE  33  -6.506  -4.130  -6.637
  234    HB3  PHE  33           1HB      PHE  33  -8.015  -4.756  -7.303
  235    HD1  PHE  33           1HD      PHE  33  -8.041  -7.375  -7.739
  236    HD2  PHE  33           2HD      PHE  33  -5.413  -5.375  -4.990
  237    HE1  PHE  33           1HE      PHE  33  -7.708  -9.502  -6.509
  238    HE2  PHE  33           2HE      PHE  33  -5.079  -7.503  -3.763
  239    HZ   PHE  33           HZ       PHE  33  -6.226  -9.565  -4.521
  240    HA   PRO  34           HA       PRO  34  -4.890  -1.641 -10.483
  241    HB2  PRO  34           2HB      PRO  34  -5.196  -1.926 -13.175
  242    HB3  PRO  34           1HB      PRO  34  -3.835  -2.621 -12.277
  243    HG2  PRO  34           2HG      PRO  34  -6.236  -3.937 -13.384
  244    HG3  PRO  34           1HG      PRO  34  -4.601  -4.572 -13.143
  245    HD2  PRO  34           2HD      PRO  34  -6.819  -5.065 -11.486
  246    HD3  PRO  34           1HD      PRO  34  -5.122  -5.391 -11.077
  247    H    GLN  35           H        GLN  35  -7.977  -2.848 -10.471
  248    HA   GLN  35           HA       GLN  35  -9.306  -0.906 -12.113
  249    HB2  GLN  35           2HB      GLN  35 -11.343  -1.821 -11.240
  250    HB3  GLN  35           1HB      GLN  35 -10.236  -3.170 -11.494
  251    HG2  GLN  35           2HG      GLN  35 -10.971  -3.636  -9.345
  252    HG3  GLN  35           1HG      GLN  35  -9.547  -2.659  -8.992
  253   HE21  GLN  35          1HE2      GLN  35 -12.994  -1.956  -9.855
  254   HE22  GLN  35          2HE2      GLN  35 -13.204  -0.800  -8.630
  255    H    TYR  36           H        TYR  36  -8.166  -1.022  -8.830
  256    HA   TYR  36           HA       TYR  36  -9.826   1.074  -7.807
  257    HB2  TYR  36           2HB      TYR  36  -7.423  -0.413  -6.891
  258    HB3  TYR  36           1HB      TYR  36  -7.692   1.179  -6.183
  259    HD1  TYR  36           2HD      TYR  36 -10.284   1.637  -5.564
  260    HD2  TYR  36           1HD      TYR  36  -8.400  -2.220  -5.784
  261    HE1  TYR  36           2HE      TYR  36 -12.027   0.698  -4.074
  262    HE2  TYR  36           1HE      TYR  36 -10.142  -3.154  -4.291
  263    HH   TYR  36           HH       TYR  36 -11.863  -1.729  -2.352
  264    H    ALA  37           H        ALA  37  -6.283   1.125  -8.370
  265    HA   ALA  37           HA       ALA  37  -5.707   3.731  -8.213
  266    HB1  ALA  37           1HB      ALA  37  -4.301   3.194 -10.454
  267    HB2  ALA  37           2HB      ALA  37  -4.727   1.556  -9.959
  268    HB3  ALA  37           3HB      ALA  37  -3.840   2.606  -8.856
  269    H    GLN  38           H        GLN  38  -7.512   2.230 -10.823
  270    HA   GLN  38           HA       GLN  38  -7.505   4.237 -12.732
  271    HB2  GLN  38           2HB      GLN  38  -9.010   1.885 -12.169
  272    HB3  GLN  38           1HB      GLN  38 -10.146   3.177 -12.563
  273    HG2  GLN  38           2HG      GLN  38  -7.720   2.444 -14.229
  274    HG3  GLN  38           1HG      GLN  38  -9.371   1.941 -14.583
  275   HE21  GLN  38          1HE2      GLN  38 -10.205   4.750 -13.441
  276   HE22  GLN  38          2HE2      GLN  38  -9.953   5.779 -14.766
  277    H    LEU  39           H        LEU  39  -9.561   3.904  -9.860
  278    HA   LEU  39           HA       LEU  39 -11.299   6.029 -10.280
  279    HB2  LEU  39           2HB      LEU  39 -10.298   4.553  -7.909
  280    HB3  LEU  39           1HB      LEU  39 -11.021   6.123  -7.593
  281    HG   LEU  39           HG       LEU  39 -13.037   5.427  -8.880
  282   HD11  LEU  39          1HD1      LEU  39 -11.508   2.817  -9.039
  283   HD12  LEU  39          2HD1      LEU  39 -12.071   3.806 -10.386
  284   HD13  LEU  39          3HD1      LEU  39 -13.234   2.957  -9.369
  285   HD21  LEU  39          3HD2      LEU  39 -13.397   5.088  -6.614
  286   HD22  LEU  39          1HD2      LEU  39 -12.065   3.942  -6.467
  287   HD23  LEU  39          2HD2      LEU  39 -13.584   3.438  -7.209
  288    H    TYR  40           H        TYR  40  -8.001   6.049  -8.992
  289    HA   TYR  40           HA       TYR  40  -7.910   8.675  -8.036
  290    HB2  TYR  40           2HB      TYR  40  -6.098   7.027  -7.691
  291    HB3  TYR  40           1HB      TYR  40  -5.683   7.144  -9.399
  292    HD1  TYR  40           2HD      TYR  40  -6.326   9.426  -6.485
  293    HD2  TYR  40           1HD      TYR  40  -3.971   8.612  -9.984
  294    HE1  TYR  40           2HE      TYR  40  -4.930  11.418  -6.008
  295    HE2  TYR  40           1HE      TYR  40  -2.575  10.603  -9.507
  296    HH   TYR  40           HH       TYR  40  -1.972  11.960  -7.382
  297    H    GLU  41           H        GLU  41  -6.730   7.550 -11.220
  298    HA   GLU  41           HA       GLU  41  -6.202   9.965 -12.395
  299    HB2  GLU  41           2HB      GLU  41  -7.391   7.464 -13.606
  300    HB3  GLU  41           1HB      GLU  41  -6.848   8.840 -14.569
  301    HG2  GLU  41           2HG      GLU  41  -4.603   8.562 -13.930
  302    HG3  GLU  41           1HG      GLU  41  -5.029   7.593 -12.521
  303    H    ASP  42           H        ASP  42  -9.360   8.437 -11.950
  304    HA   ASP  42           HA       ASP  42 -10.770  10.422 -13.493
  305    HB2  ASP  42           2HB      ASP  42 -11.480   8.037 -11.873
  306    HB3  ASP  42           1HB      ASP  42 -12.719   9.281 -12.037
  307    H    SER  43           H        SER  43  -9.574  10.185 -10.294
  308    HA   SER  43           HA       SER  43  -9.471  11.835  -8.672
  309    HB2  SER  43           2HB      SER  43 -10.168  13.360 -10.737
  310    HB3  SER  43           1HB      SER  43 -11.698  13.421  -9.869
  311    HG   SER  43           HG       SER  43  -9.383  13.748  -8.368
  312    H    GLN  44           H        GLN  44 -10.773   9.572  -8.166
  313    HA   GLN  44           HA       GLN  44 -12.937  10.466  -6.415
  314    HB2  GLN  44           2HB      GLN  44 -14.194   8.287  -7.219
  315    HB3  GLN  44           1HB      GLN  44 -14.367   9.797  -8.113
  316    HG2  GLN  44           2HG      GLN  44 -12.670   9.109  -9.707
  317    HG3  GLN  44           1HG      GLN  44 -12.330   7.656  -8.772
  318   HE21  GLN  44          1HE2      GLN  44 -12.935   6.604 -10.967
  319   HE22  GLN  44          2HE2      GLN  44 -14.580   6.282 -11.237
  320    H    PHE  45           H        PHE  45 -10.564   9.923  -5.439
  321    HA   PHE  45           HA       PHE  45 -10.463   7.095  -4.664
  322    HB2  PHE  45           2HB      PHE  45  -8.493   9.107  -5.122
  323    HB3  PHE  45           1HB      PHE  45  -8.381   8.590  -3.440
  324    HD1  PHE  45           2HD      PHE  45  -9.012   7.023  -6.791
  325    HD2  PHE  45           1HD      PHE  45  -6.975   6.775  -3.020
  326    HE1  PHE  45           2HE      PHE  45  -7.908   4.928  -7.525
  327    HE2  PHE  45           1HE      PHE  45  -5.868   4.681  -3.758
  328    HZ   PHE  45           HZ       PHE  45  -6.341   3.754  -6.000
  329    HA   PRO  46           HA       PRO  46 -10.812   9.416  -0.472
  330    HB2  PRO  46           2HB      PRO  46 -12.460  11.757  -1.158
  331    HB3  PRO  46           1HB      PRO  46 -10.975  11.679  -0.195
  332    HG2  PRO  46           2HG      PRO  46 -11.083  12.784  -2.658
  333    HG3  PRO  46           1HG      PRO  46  -9.630  12.018  -1.995
  334    HD2  PRO  46           2HD      PRO  46 -11.554  10.962  -4.028
  335    HD3  PRO  46           1HD      PRO  46  -9.799  10.705  -3.893
  336    H    ILE  47           H        ILE  47 -12.219   7.984   0.293
  337    HA   ILE  47           HA       ILE  47 -15.028   8.443   0.327
  338    HB   ILE  47           HB       ILE  47 -15.449   6.099  -0.815
  339   HG12  ILE  47          2HG1      ILE  47 -13.209   6.873  -2.607
  340   HG13  ILE  47          1HG1      ILE  47 -12.769   6.096  -1.086
  341   HG21  ILE  47          1HG2      ILE  47 -16.293   7.212  -2.620
  342   HG22  ILE  47          2HG2      ILE  47 -14.780   8.050  -2.942
  343   HG23  ILE  47          3HG2      ILE  47 -15.875   8.653  -1.701
  344   HD11  ILE  47          3HD1      ILE  47 -13.227   4.579  -3.140
  345   HD12  ILE  47          1HD1      ILE  47 -14.927   4.946  -2.849
  346   HD13  ILE  47          2HD1      ILE  47 -13.974   4.138  -1.605
  347    H    ASN  48           H        ASN  48 -16.114   6.275   1.155
  348    HA   ASN  48           HA       ASN  48 -14.901   5.710   3.648
  349    HB2  ASN  48           2HB      ASN  48 -16.696   3.802   3.592
  350    HB3  ASN  48           1HB      ASN  48 -17.209   5.487   3.679
  351   HD21  ASN  48          1HD2      ASN  48 -15.881   4.050   0.715
  352   HD22  ASN  48          2HD2      ASN  48 -17.332   4.113  -0.164
  353    H    ILE  49           H        ILE  49 -12.820   4.892   3.300
  354    HA   ILE  49           HA       ILE  49 -12.025   2.885   1.581
  355    HB   ILE  49           HB       ILE  49 -11.068   3.492   4.381
  356   HG12  ILE  49          2HG1      ILE  49  -9.887   4.168   1.667
  357   HG13  ILE  49          1HG1      ILE  49 -10.893   5.275   2.597
  358   HG21  ILE  49          1HG2      ILE  49 -10.302   1.287   3.965
  359   HG22  ILE  49          2HG2      ILE  49  -8.955   2.303   3.462
  360   HG23  ILE  49          3HG2      ILE  49 -10.036   1.611   2.254
  361   HD11  ILE  49          3HD1      ILE  49  -9.061   5.938   3.722
  362   HD12  ILE  49          1HD1      ILE  49  -8.081   4.744   2.875
  363   HD13  ILE  49          2HD1      ILE  49  -8.899   4.307   4.372
  364    H    VAL  50           H        VAL  50 -14.239   2.673   4.078
  365    HA   VAL  50           HA       VAL  50 -13.788  -0.091   4.807
  366    HB   VAL  50           HB       VAL  50 -16.308   1.480   5.320
  367   HG11  VAL  50          1HG1      VAL  50 -16.041  -1.024   5.840
  368   HG12  VAL  50          2HG1      VAL  50 -16.552   0.010   7.173
  369   HG13  VAL  50          3HG1      VAL  50 -14.876  -0.527   7.068
  370   HG21  VAL  50          3HG2      VAL  50 -14.843   1.834   7.576
  371   HG22  VAL  50          1HG2      VAL  50 -14.891   3.015   6.268
  372   HG23  VAL  50          2HG2      VAL  50 -13.554   1.868   6.371
  373    H    ALA  51           H        ALA  51 -16.174   1.669   2.846
  374    HA   ALA  51           HA       ALA  51 -17.744  -0.570   2.154
  375    HB1  ALA  51           1HB      ALA  51 -17.393   1.775   0.315
  376    HB2  ALA  51           2HB      ALA  51 -18.209   1.973   1.866
  377    HB3  ALA  51           3HB      ALA  51 -18.851   0.847   0.670
  378    H    VAL  52           H        VAL  52 -15.145   1.055   0.329
  379    HA   VAL  52           HA       VAL  52 -15.196  -0.547  -1.940
  380    HB   VAL  52           HB       VAL  52 -12.605   0.041  -1.900
  381   HG11  VAL  52          1HG1      VAL  52 -13.231   2.266  -2.808
  382   HG12  VAL  52          2HG1      VAL  52 -14.861   2.046  -2.171
  383   HG13  VAL  52          3HG1      VAL  52 -14.261   0.982  -3.443
  384   HG21  VAL  52          3HG2      VAL  52 -11.952   1.652  -0.393
  385   HG22  VAL  52          1HG2      VAL  52 -13.130   0.818   0.616
  386   HG23  VAL  52          2HG2      VAL  52 -13.581   2.300  -0.219
  387    H    LYS  53           H        LYS  53 -12.722  -0.907   0.632
  388    HA   LYS  53           HA       LYS  53 -11.589  -3.247  -0.144
  389    HB2  LYS  53           2HB      LYS  53 -10.765  -3.472   2.007
  390    HB3  LYS  53           1HB      LYS  53 -11.220  -1.768   1.992
  391    HG2  LYS  53           2HG      LYS  53 -13.515  -2.590   2.864
  392    HG3  LYS  53           1HG      LYS  53 -12.670  -4.086   3.259
  393    HD2  LYS  53           2HD      LYS  53 -11.879  -1.318   4.211
  394    HD3  LYS  53           1HD      LYS  53 -12.694  -2.539   5.187
  395    HE2  LYS  53           2HE      LYS  53 -10.440  -2.839   5.766
  396    HE3  LYS  53           1HE      LYS  53 -10.687  -4.064   4.522
  397    HZ1  LYS  53           3HZ      LYS  53  -9.378  -2.985   3.073
  398    HZ2  LYS  53           1HZ      LYS  53  -8.726  -2.260   4.462
  399    HZ3  LYS  53           2HZ      LYS  53  -9.911  -1.445   3.557
  400    H    ASN  54           H        ASN  54 -14.777  -2.830   1.209
  401    HA   ASN  54           HA       ASN  54 -15.163  -5.726   1.460
  402    HB2  ASN  54           2HB      ASN  54 -16.749  -3.307   2.280
  403    HB3  ASN  54           1HB      ASN  54 -17.507  -4.896   2.208
  404   HD21  ASN  54          1HD2      ASN  54 -15.625  -2.830   4.185
  405   HD22  ASN  54          2HD2      ASN  54 -15.161  -3.983   5.342
  406    H    ASP  55           H        ASP  55 -15.878  -3.063  -0.617
  407    HA   ASP  55           HA       ASP  55 -18.102  -4.159  -2.004
  408    HB2  ASP  55           2HB      ASP  55 -17.215  -1.741  -2.070
  409    HB3  ASP  55           1HB      ASP  55 -16.078  -2.330  -3.282
  410    H    HIS  56           H        HIS  56 -14.779  -3.789  -3.259
  411    HA   HIS  56           HA       HIS  56 -15.075  -5.586  -5.385
  412    HB2  HIS  56           2HB      HIS  56 -12.533  -4.934  -3.875
  413    HB3  HIS  56           1HB      HIS  56 -12.643  -5.586  -5.511
  414    HD2  HIS  56           2HD      HIS  56 -11.527  -3.174  -6.600
  415    HE1  HIS  56           1HE      HIS  56 -14.832  -0.741  -5.610
  416    HE2  HIS  56           2HE      HIS  56 -12.669  -0.849  -6.937
  417    H    ASP  57           H        ASP  57 -15.224  -6.273  -2.151
  418    HA   ASP  57           HA       ASP  57 -14.940  -8.175  -0.874
  419    HB2  ASP  57           2HB      ASP  57 -16.756  -8.756  -2.573
  420    HB3  ASP  57           1HB      ASP  57 -15.508  -9.637  -3.450
  421    H    PHE  58           H        PHE  58 -12.602  -7.673  -0.767
  422    HA   PHE  58           HA       PHE  58 -10.776  -9.076  -2.489
  423    HB2  PHE  58           2HB      PHE  58 -10.598  -7.284  -0.136
  424    HB3  PHE  58           1HB      PHE  58  -9.264  -8.417  -0.347
  425    HD1  PHE  58           2HD      PHE  58 -11.364  -6.848  -3.001
  426    HD2  PHE  58           1HD      PHE  58  -7.512  -7.015  -1.108
  427    HE1  PHE  58           2HE      PHE  58 -10.425  -5.410  -4.789
  428    HE2  PHE  58           1HE      PHE  58  -6.573  -5.573  -2.895
  429    HZ   PHE  58           HZ       PHE  58  -8.030  -4.767  -4.733
  430    H    LEU  59           H        LEU  59  -9.080 -10.534  -1.490
  431    HA   LEU  59           HA       LEU  59 -10.456 -12.591   0.104
  432    HB2  LEU  59           2HB      LEU  59  -7.956 -12.778  -1.595
  433    HB3  LEU  59           1HB      LEU  59  -8.754 -14.119  -0.775
  434    HG   LEU  59           HG       LEU  59 -10.857 -13.098  -2.146
  435   HD11  LEU  59          1HD1      LEU  59  -8.590 -12.841  -4.114
  436   HD12  LEU  59          2HD1      LEU  59  -9.105 -11.451  -3.156
  437   HD13  LEU  59          3HD1      LEU  59 -10.243 -12.241  -4.248
  438   HD21  LEU  59          3HD2      LEU  59 -10.268 -14.861  -3.895
  439   HD22  LEU  59          1HD2      LEU  59 -10.286 -15.425  -2.224
  440   HD23  LEU  59          2HD2      LEU  59  -8.750 -15.088  -3.025
  441    H    GLU  60           H        GLU  60  -7.147 -13.047  -0.015
  442    HA   GLU  60           HA       GLU  60  -6.621 -13.199   2.636
  443    HB2  GLU  60           2HB      GLU  60  -4.275 -12.799   2.131
  444    HB3  GLU  60           1HB      GLU  60  -5.002 -13.748   0.834
  445    HG2  GLU  60           2HG      GLU  60  -5.479 -11.291  -0.140
  446    HG3  GLU  60           1HG      GLU  60  -4.040 -10.928   0.811
  447    H    LYS  61           H        LYS  61  -5.860 -11.835   4.272
  448    HA   LYS  61           HA       LYS  61  -6.798  -9.090   4.069
  449    HB2  LYS  61           2HB      LYS  61  -7.074 -10.712   6.090
  450    HB3  LYS  61           1HB      LYS  61  -5.417 -10.241   6.475
  451    HG2  LYS  61           2HG      LYS  61  -6.541  -8.582   7.620
  452    HG3  LYS  61           1HG      LYS  61  -6.413  -7.798   6.045
  453    HD2  LYS  61           2HD      LYS  61  -8.658  -8.716   5.450
  454    HD3  LYS  61           1HD      LYS  61  -8.790  -9.369   7.084
  455    HE2  LYS  61           2HE      LYS  61  -9.786  -7.363   7.525
  456    HE3  LYS  61           1HE      LYS  61  -8.121  -6.792   7.641
  457    HZ1  LYS  61           3HZ      LYS  61  -8.377  -5.565   5.828
  458    HZ2  LYS  61           1HZ      LYS  61 -10.039  -5.899   5.897
  459    HZ3  LYS  61           2HZ      LYS  61  -9.019  -6.864   4.941
  460    H    ASP  62           H        ASP  62  -3.951 -10.715   3.433
  461    HA   ASP  62           HA       ASP  62  -2.051  -8.805   4.411
  462    HB2  ASP  62           2HB      ASP  62  -0.668 -10.487   3.888
  463    HB3  ASP  62           1HB      ASP  62  -1.988 -11.342   3.092
  464    H    LEU  63           H        LEU  63  -4.055  -9.078   1.599
  465    HA   LEU  63           HA       LEU  63  -2.560  -6.972   0.203
  466    HB2  LEU  63           2HB      LEU  63  -4.463  -9.090  -0.585
  467    HB3  LEU  63           1HB      LEU  63  -4.655  -7.561  -1.437
  468    HG   LEU  63           HG       LEU  63  -2.008  -9.015  -1.137
  469   HD11  LEU  63          1HD1      LEU  63  -2.842  -9.025  -3.825
  470   HD12  LEU  63          2HD1      LEU  63  -4.254  -9.522  -2.891
  471   HD13  LEU  63          3HD1      LEU  63  -2.739 -10.412  -2.740
  472   HD21  LEU  63          3HD2      LEU  63  -1.916  -7.389  -3.379
  473   HD22  LEU  63          1HD2      LEU  63  -1.230  -6.989  -1.806
  474   HD23  LEU  63          2HD2      LEU  63  -2.838  -6.413  -2.236
  475    H    VAL  64           H        VAL  64  -5.256  -7.418   2.232
  476    HA   VAL  64           HA       VAL  64  -6.750  -5.121   1.281
  477    HB   VAL  64           HB       VAL  64  -7.079  -6.781   3.792
  478   HG11  VAL  64          1HG1      VAL  64  -8.209  -4.764   4.210
  479   HG12  VAL  64          2HG1      VAL  64  -9.468  -5.780   3.506
  480   HG13  VAL  64          3HG1      VAL  64  -8.663  -4.559   2.520
  481   HG21  VAL  64          3HG2      VAL  64  -8.394  -8.218   2.588
  482   HG22  VAL  64          1HG2      VAL  64  -7.420  -7.649   1.232
  483   HG23  VAL  64          2HG2      VAL  64  -9.003  -6.937   1.540
  484    H    GLU  65           H        GLU  65  -4.614  -5.935   3.982
  485    HA   GLU  65           HA       GLU  65  -4.892  -3.577   5.467
  486    HB2  GLU  65           2HB      GLU  65  -2.948  -5.778   5.313
  487    HB3  GLU  65           1HB      GLU  65  -2.267  -4.245   5.864
  488    HG2  GLU  65           2HG      GLU  65  -3.990  -4.067   7.589
  489    HG3  GLU  65           1HG      GLU  65  -4.747  -5.552   7.015
  490    HA   PRO  66           HA       PRO  66  -1.056  -1.727   3.126
  491    HB2  PRO  66           2HB      PRO  66  -0.693  -2.940   0.613
  492    HB3  PRO  66           1HB      PRO  66   0.346  -3.143   2.033
  493    HG2  PRO  66           2HG      PRO  66  -1.771  -4.910   0.970
  494    HG3  PRO  66           1HG      PRO  66  -0.282  -5.318   1.837
  495    HD2  PRO  66           2HD      PRO  66  -2.715  -5.428   3.016
  496    HD3  PRO  66           1HD      PRO  66  -1.248  -4.997   3.918
  497    H    LEU  67           H        LEU  67  -3.753  -3.111   1.316
  498    HA   LEU  67           HA       LEU  67  -4.014  -1.126  -0.665
  499    HB2  LEU  67           2HB      LEU  67  -5.209  -3.177  -0.940
  500    HB3  LEU  67           1HB      LEU  67  -6.010  -2.999   0.618
  501    HG   LEU  67           HG       LEU  67  -6.465  -0.734  -1.218
  502   HD11  LEU  67          1HD1      LEU  67  -8.054  -1.970  -2.635
  503   HD12  LEU  67          2HD1      LEU  67  -7.569  -3.479  -1.865
  504   HD13  LEU  67          3HD1      LEU  67  -6.415  -2.582  -2.852
  505   HD21  LEU  67          3HD2      LEU  67  -8.296  -2.601   0.330
  506   HD22  LEU  67          1HD2      LEU  67  -8.776  -1.078  -0.415
  507   HD23  LEU  67          2HD2      LEU  67  -7.650  -1.080   0.942
  508    H    CYS  68           H        CYS  68  -5.220  -1.336   2.649
  509    HA   CYS  68           HA       CYS  68  -6.849   1.016   2.476
  510    HB2  CYS  68           2HB      CYS  68  -7.418  -0.595   4.149
  511    HB3  CYS  68           1HB      CYS  68  -5.783  -0.579   4.810
  512    HG   CYS  68           HG       CYS  68  -7.748   1.848   5.048
  513    H    ARG  69           H        ARG  69  -3.494   0.451   2.848
  514    HA   ARG  69           HA       ARG  69  -2.912   2.895   4.275
  515    HB2  ARG  69           2HB      ARG  69  -1.419   0.577   3.298
  516    HB3  ARG  69           1HB      ARG  69  -0.546   2.095   3.110
  517    HG2  ARG  69           2HG      ARG  69  -0.118   1.050   5.319
  518    HG3  ARG  69           1HG      ARG  69  -0.901   2.624   5.473
  519    HD2  ARG  69           2HD      ARG  69  -2.778   0.375   5.215
  520    HD3  ARG  69           1HD      ARG  69  -1.783   0.315   6.665
  521    HE   ARG  69           HE       ARG  69  -2.689   2.906   6.565
  522   HH11  ARG  69          1HH2      ARG  69  -4.112  -0.247   6.518
  523   HH12  ARG  69          2HH2      ARG  69  -5.579   0.252   7.289
  524   HH21  ARG  69          1HH1      ARG  69  -4.612   3.569   7.573
  525   HH22  ARG  69          2HH1      ARG  69  -5.863   2.413   7.886
  526    H    ARG  70           H        ARG  70  -2.838   1.796   0.912
  527    HA   ARG  70           HA       ARG  70  -1.660   4.224  -0.081
  528    HB2  ARG  70           2HB      ARG  70  -3.273   2.227  -1.675
  529    HB3  ARG  70           1HB      ARG  70  -2.036   3.329  -2.266
  530    HG2  ARG  70           2HG      ARG  70  -1.682   0.850  -0.590
  531    HG3  ARG  70           1HG      ARG  70  -0.949   1.228  -2.141
  532    HD2  ARG  70           2HD      ARG  70   0.218   3.173  -0.942
  533    HD3  ARG  70           1HD      ARG  70  -0.302   2.418   0.560
  534    HE   ARG  70           HE       ARG  70   0.973   0.470  -1.025
  535   HH11  ARG  70          1HH2      ARG  70   1.635   3.391   0.708
  536   HH12  ARG  70          2HH2      ARG  70   3.280   2.974   1.055
  537   HH21  ARG  70          1HH1      ARG  70   3.129  -0.082  -0.576
  538   HH22  ARG  70          2HH1      ARG  70   4.127   1.009   0.328
  539    H    LEU  71           H        LEU  71  -4.962   2.862  -0.263
  540    HA   LEU  71           HA       LEU  71  -6.205   4.998  -1.512
  541    HB2  LEU  71           2HB      LEU  71  -7.256   3.133   0.619
  542    HB3  LEU  71           1HB      LEU  71  -8.276   4.254  -0.281
  543    HG   LEU  71           HG       LEU  71  -6.445   2.391  -1.773
  544   HD11  LEU  71          1HD1      LEU  71  -9.203   1.676  -0.738
  545   HD12  LEU  71          2HD1      LEU  71  -7.685   0.977  -0.172
  546   HD13  LEU  71          3HD1      LEU  71  -8.222   0.698  -1.830
  547   HD21  LEU  71          3HD2      LEU  71  -9.205   2.926  -2.681
  548   HD22  LEU  71          1HD2      LEU  71  -7.692   2.994  -3.585
  549   HD23  LEU  71          2HD2      LEU  71  -8.184   4.359  -2.580
  550    H    ASN  72           H        ASN  72  -5.922   4.465   2.005
  551    HA   ASN  72           HA       ASN  72  -7.039   6.836   2.894
  552    HB2  ASN  72           2HB      ASN  72  -6.220   4.906   4.305
  553    HB3  ASN  72           1HB      ASN  72  -4.590   5.549   4.111
  554   HD21  ASN  72          1HD2      ASN  72  -4.291   6.229   6.307
  555   HD22  ASN  72          2HD2      ASN  72  -5.221   7.459   7.017
  556    H    THR  73           H        THR  73  -3.735   6.218   1.772
  557    HA   THR  73           HA       THR  73  -2.721   8.810   2.363
  558    HB   THR  73           HB       THR  73  -1.762   6.880   0.236
  559    HG1  THR  73           1HG      THR  73  -0.259   6.497   2.163
  560   HG21  THR  73          3HG2      THR  73   0.448   7.994   0.879
  561   HG22  THR  73          1HG2      THR  73  -0.526   9.221   1.687
  562   HG23  THR  73          2HG2      THR  73  -0.682   8.976  -0.053
  563    H    LEU  74           H        LEU  74  -3.506   7.363  -0.808
  564    HA   LEU  74           HA       LEU  74  -3.338   9.666  -2.336
  565    HB2  LEU  74           2HB      LEU  74  -4.706   7.058  -2.582
  566    HB3  LEU  74           1HB      LEU  74  -5.359   8.350  -3.588
  567    HG   LEU  74           HG       LEU  74  -2.413   7.652  -3.466
  568   HD11  LEU  74          1HD1      LEU  74  -2.699   6.412  -5.505
  569   HD12  LEU  74          2HD1      LEU  74  -4.384   6.911  -5.642
  570   HD13  LEU  74          3HD1      LEU  74  -3.896   5.797  -4.366
  571   HD21  LEU  74          3HD2      LEU  74  -3.258   8.860  -5.914
  572   HD22  LEU  74          1HD2      LEU  74  -2.170   9.522  -4.696
  573   HD23  LEU  74          2HD2      LEU  74  -3.900   9.833  -4.592
  574    H    ASN  75           H        ASN  75  -6.013   8.487  -0.359
  575    HA   ASN  75           HA       ASN  75  -8.019  10.247  -1.218
  576    HB2  ASN  75           2HB      ASN  75  -7.533   9.042   1.517
  577    HB3  ASN  75           1HB      ASN  75  -9.015   9.870   1.043
  578   HD21  ASN  75          1HD2      ASN  75  -8.819   7.036   1.794
  579   HD22  ASN  75          2HD2      ASN  75  -9.294   6.143   0.434
  580    H    LYS  76           H        LYS  76  -5.361  10.673   1.043
  581    HA   LYS  76           HA       LYS  76  -6.260  13.251   1.979
  582    HB2  LYS  76           2HB      LYS  76  -3.675  11.714   2.269
  583    HB3  LYS  76           1HB      LYS  76  -3.918  13.317   2.956
  584    HG2  LYS  76           2HG      LYS  76  -5.878  12.484   4.204
  585    HG3  LYS  76           1HG      LYS  76  -5.617  10.878   3.527
  586    HD2  LYS  76           2HD      LYS  76  -3.125  11.522   4.544
  587    HD3  LYS  76           1HD      LYS  76  -4.227  12.214   5.736
  588    HE2  LYS  76           2HE      LYS  76  -3.871   9.972   6.451
  589    HE3  LYS  76           1HE      LYS  76  -5.456   9.962   5.677
  590    HZ1  LYS  76           3HZ      LYS  76  -2.902   8.885   4.700
  591    HZ2  LYS  76           1HZ      LYS  76  -4.064   9.399   3.577
  592    HZ3  LYS  76           2HZ      LYS  76  -4.446   8.174   4.692
  593    H    CYS  77           H        CYS  77  -4.540  12.048  -0.721
  594    HA   CYS  77           HA       CYS  77  -3.280  14.632  -1.295
  595    HB2  CYS  77           2HB      CYS  77  -1.691  13.305  -2.142
  596    HB3  CYS  77           1HB      CYS  77  -2.705  11.882  -1.906
  597    HG   CYS  77           HG       CYS  77  -2.943  11.844  -4.368
  598    H    ALA  78           H        ALA  78  -5.935  12.606  -2.286
  599    HA   ALA  78           HA       ALA  78  -6.412  14.044  -4.755
  600    HB1  ALA  78           1HB      ALA  78  -7.697  11.777  -3.301
  601    HB2  ALA  78           2HB      ALA  78  -7.194  11.892  -4.988
  602    HB3  ALA  78           3HB      ALA  78  -8.677  12.684  -4.454
  603    H    SER  79           H        SER  79  -6.549  15.189  -1.836
  604    HA   SER  79           HA       SER  79  -9.266  16.290  -1.896
  605    HB2  SER  79           2HB      SER  79  -8.569  15.541   0.272
  606    HB3  SER  79           1HB      SER  79  -7.042  16.408   0.147
  607    HG   SER  79           HG       SER  79  -9.273  17.966  -0.234
  608    H    MET  80           H        MET  80  -5.941  17.176  -2.442
  609    HA   MET  80           HA       MET  80  -6.787  19.953  -3.025
  610    HB2  MET  80           2HB      MET  80  -4.121  18.902  -2.055
  611    HB3  MET  80           1HB      MET  80  -4.394  20.557  -2.598
  612    HG2  MET  80           2HG      MET  80  -5.290  21.122  -0.611
  613    HG3  MET  80           1HG      MET  80  -6.435  19.784  -0.702
  614    HE1  MET  80           3HE      MET  80  -4.710  20.996   2.031
  615    HE2  MET  80           1HE      MET  80  -4.960  19.437   2.829
  616    HE3  MET  80           2HE      MET  80  -6.223  20.122   1.809
  617    H    LYS  81           H        LYS  81  -7.135  17.966  -4.937
  618    HA   LYS  81           HA       LYS  81  -5.165  18.812  -6.956
  619    HB2  LYS  81           2HB      LYS  81  -4.345  16.659  -6.469
  620    HB3  LYS  81           1HB      LYS  81  -5.965  15.990  -6.269
  621    HG2  LYS  81           2HG      LYS  81  -6.381  15.985  -8.587
  622    HG3  LYS  81           1HG      LYS  81  -5.091  17.142  -8.914
  623    HD2  LYS  81           2HD      LYS  81  -3.403  15.465  -8.313
  624    HD3  LYS  81           1HD      LYS  81  -4.675  14.305  -7.925
  625    HE2  LYS  81           2HE      LYS  81  -5.165  13.896 -10.127
  626    HE3  LYS  81           1HE      LYS  81  -4.797  15.548 -10.624
  627    HZ1  LYS  81           3HZ      LYS  81  -2.961  14.585 -11.451
  628    HZ2  LYS  81           1HZ      LYS  81  -3.051  13.243 -10.416
  629    HZ3  LYS  81           2HZ      LYS  81  -2.394  14.704  -9.854
  Start of MODEL   11
    1    H1   MET   1           1HT      MET   1   1.230  -3.102  40.407
    2    H2   MET   1           2HT      MET   1   0.858  -3.334  38.765
    3    H3   MET   1           3HT      MET   1  -0.303  -3.673  39.957
    4    HA   MET   1           HA       MET   1  -0.449  -1.474  38.627
    5    HB2  MET   1           2HB      MET   1  -1.259  -0.353  40.789
    6    HB3  MET   1           1HB      MET   1  -1.999  -1.903  40.385
    7    HG2  MET   1           2HG      MET   1  -0.929  -3.019  42.094
    8    HG3  MET   1           1HG      MET   1   0.480  -1.959  42.044
    9    HE1  MET   1           2HE      MET   1   0.373  -1.033  45.107
   10    HE2  MET   1           3HE      MET   1   0.273  -2.594  44.296
   11    HE3  MET   1           1HE      MET   1  -0.959  -2.127  45.475
   12    H    HIS   2           H        HIS   2   1.875  -1.113  37.998
   13    HA   HIS   2           HA       HIS   2   2.994   1.033  39.675
   14    HB2  HIS   2           2HB      HIS   2   4.838  -0.912  38.327
   15    HB3  HIS   2           1HB      HIS   2   5.150   0.151  39.699
   16    HD2  HIS   2           2HD      HIS   2   4.449  -3.504  39.169
   17    HE1  HIS   2           1HE      HIS   2   2.978  -2.683  43.040
   18    HE2  HIS   2           2HE      HIS   2   3.597  -4.531  41.415
   19    H    HIS   3           H        HIS   3   3.385  -0.687  36.571
   20    HA   HIS   3           HA       HIS   3   4.378   1.676  35.246
   21    HB2  HIS   3           2HB      HIS   3   3.944  -1.163  34.564
   22    HB3  HIS   3           1HB      HIS   3   3.738  -0.033  33.225
   23    HD2  HIS   3           2HD      HIS   3   6.110   1.475  32.571
   24    HE1  HIS   3           1HE      HIS   3   8.697  -0.871  34.944
   25    HE2  HIS   3           2HE      HIS   3   8.596   0.924  33.150
   26    H    HIS   4           H        HIS   4   3.311   3.007  33.831
   27    HA   HIS   4           HA       HIS   4   0.636   2.478  32.922
   28    HB2  HIS   4           2HB      HIS   4   0.315   3.192  35.333
   29    HB3  HIS   4           1HB      HIS   4   0.955   4.768  34.866
   30    HD2  HIS   4           2HD      HIS   4  -1.856   2.506  33.141
   31    HE1  HIS   4           1HE      HIS   4  -3.232   6.486  33.439
   32    HE2  HIS   4           2HE      HIS   4  -3.817   4.152  32.625
   33    H    HIS   5           H        HIS   5   3.426   3.408  32.113
   34    HA   HIS   5           HA       HIS   5   2.760   6.003  30.897
   35    HB2  HIS   5           2HB      HIS   5   5.210   4.720  31.812
   36    HB3  HIS   5           1HB      HIS   5   5.364   5.348  30.171
   37    HD2  HIS   5           2HD      HIS   5   5.714   6.694  33.665
   38    HE1  HIS   5           1HE      HIS   5   4.583  10.031  31.340
   39    HE2  HIS   5           2HE      HIS   5   5.504   9.296  33.589
   40    H    HIS   6           H        HIS   6   2.783   6.326  28.684
   41    HA   HIS   6           HA       HIS   6   3.505   4.239  26.839
   42    HB2  HIS   6           2HB      HIS   6   1.096   3.762  27.845
   43    HB3  HIS   6           1HB      HIS   6   0.617   4.973  26.658
   44    HD2  HIS   6           2HD      HIS   6   0.502   4.023  24.044
   45    HE1  HIS   6           1HE      HIS   6   2.394   0.310  24.717
   46    HE2  HIS   6           2HE      HIS   6   1.180   1.728  22.997
   47    H    HIS   7           H        HIS   7   1.119   6.896  26.887
   48    HA   HIS   7           HA       HIS   7   0.812   8.629  25.385
   49    HB2  HIS   7           2HB      HIS   7   3.771   8.793  25.992
   50    HB3  HIS   7           1HB      HIS   7   2.860  10.064  25.175
   51    HD2  HIS   7           2HD      HIS   7   1.040  11.492  26.847
   52    HE1  HIS   7           1HE      HIS   7   2.253   9.660  30.453
   53    HE2  HIS   7           2HE      HIS   7   0.871  11.541  29.453
   54    H    SER   8           H        SER   8   0.244   7.376  23.545
   55    HA   SER   8           HA       SER   8   2.109   6.254  21.743
   56    HB2  SER   8           2HB      SER   8  -0.777   7.022  21.603
   57    HB3  SER   8           1HB      SER   8   0.074   6.645  20.107
   58    HG   SER   8           HG       SER   8  -0.005   4.624  20.652
   59    H    SER   9           H        SER   9   2.510   7.006  19.517
   60    HA   SER   9           HA       SER   9   2.159   9.746  18.805
   61    HB2  SER   9           2HB      SER   9   4.277   9.296  20.569
   62    HB3  SER   9           1HB      SER   9   5.035   9.396  18.982
   63    HG   SER   9           HG       SER   9   3.333  11.272  20.255
   64    H    GLY  10           H        GLY  10   2.208   9.850  16.649
   65    HA2  GLY  10           2HA      GLY  10   4.134   8.537  15.017
   66    HA3  GLY  10           1HA      GLY  10   2.607   7.661  14.987
   67    H    LEU  11           H        LEU  11   3.774  11.030  14.766
   68    HA   LEU  11           HA       LEU  11   1.542  11.788  13.086
   69    HB2  LEU  11           2HB      LEU  11   3.783  13.151  14.444
   70    HB3  LEU  11           1HB      LEU  11   3.269  13.880  12.921
   71    HG   LEU  11           HG       LEU  11   0.953  13.972  13.718
   72   HD11  LEU  11          1HD1      LEU  11   0.441  12.330  15.209
   73   HD12  LEU  11          2HD1      LEU  11   0.995  13.492  16.414
   74   HD13  LEU  11          3HD1      LEU  11   2.091  12.242  15.823
   75   HD21  LEU  11          3HD2      LEU  11   1.563  15.979  14.541
   76   HD22  LEU  11          1HD2      LEU  11   3.183  15.378  14.889
   77   HD23  LEU  11          2HD2      LEU  11   1.902  15.206  16.089
   78    H    VAL  12           H        VAL  12   1.683  12.484  10.921
   79    HA   VAL  12           HA       VAL  12   4.130  11.710   9.462
   80    HB   VAL  12           HB       VAL  12   2.494  10.901   7.634
   81   HG11  VAL  12          1HG1      VAL  12   3.958   9.391   8.888
   82   HG12  VAL  12          2HG1      VAL  12   2.366   8.655   8.706
   83   HG13  VAL  12          3HG1      VAL  12   2.830   9.386  10.243
   84   HG21  VAL  12          3HG2      VAL  12   0.544  11.896   9.084
   85   HG22  VAL  12          1HG2      VAL  12   0.675  10.380   9.975
   86   HG23  VAL  12          2HG2      VAL  12   0.299  10.361   8.253
   87    HA   PRO  13           HA       PRO  13   2.735  16.086   8.556
   88    HB2  PRO  13           2HB      PRO  13   5.659  16.177   7.973
   89    HB3  PRO  13           1HB      PRO  13   4.647  17.332   8.860
   90    HG2  PRO  13           2HG      PRO  13   6.321  15.680  10.118
   91    HG3  PRO  13           1HG      PRO  13   4.757  16.140  10.813
   92    HD2  PRO  13           2HD      PRO  13   5.577  13.551   9.579
   93    HD3  PRO  13           1HD      PRO  13   4.391  13.864  10.864
   94    H    ARG  14           H        ARG  14   2.230  16.859   6.548
   95    HA   ARG  14           HA       ARG  14   2.429  15.173   4.288
   96    HB2  ARG  14           2HB      ARG  14   1.990  18.138   4.060
   97    HB3  ARG  14           1HB      ARG  14   1.253  16.830   3.135
   98    HG2  ARG  14           2HG      ARG  14   0.362  16.127   5.555
   99    HG3  ARG  14           1HG      ARG  14   0.560  17.855   5.852
  100    HD2  ARG  14           2HD      ARG  14  -1.214  16.480   3.848
  101    HD3  ARG  14           1HD      ARG  14  -1.639  17.706   5.038
  102    HE   ARG  14           HE       ARG  14   0.240  18.624   3.038
  103   HH11  ARG  14          1HH2      ARG  14  -3.075  18.129   3.895
  104   HH12  ARG  14          2HH2      ARG  14  -3.679  19.347   2.824
  105   HH21  ARG  14          1HH1      ARG  14  -0.543  20.224   1.629
  106   HH22  ARG  14          2HH1      ARG  14  -2.245  20.534   1.539
  107    H    GLY  15           H        GLY  15   3.339  16.049   2.146
  108    HA2  GLY  15           2HA      GLY  15   5.198  17.678   1.414
  109    HA3  GLY  15           1HA      GLY  15   6.146  16.824   2.629
  110    H    SER  16           H        SER  16   6.544  14.542   2.319
  111    HA   SER  16           HA       SER  16   7.163  13.905  -0.403
  112    HB2  SER  16           2HB      SER  16   7.338  11.573   1.193
  113    HB3  SER  16           1HB      SER  16   8.652  12.616   0.657
  114    HG   SER  16           HG       SER  16   8.570  12.487   2.927
  115    H    GLN  17           H        GLN  17   4.270  13.959   1.036
  116    HA   GLN  17           HA       GLN  17   3.029  11.516   0.706
  117    HB2  GLN  17           2HB      GLN  17   2.137  14.346   0.563
  118    HB3  GLN  17           1HB      GLN  17   1.044  13.131  -0.100
  119    HG2  GLN  17           2HG      GLN  17   2.303  12.781   2.617
  120    HG3  GLN  17           1HG      GLN  17   0.815  13.703   2.413
  121   HE21  GLN  17          1HE2      GLN  17   2.098  10.519   2.722
  122   HE22  GLN  17          2HE2      GLN  17   0.667   9.674   2.367
  123    H    GLU  18           H        GLU  18   4.194  13.713  -1.720
  124    HA   GLU  18           HA       GLU  18   2.682  12.930  -3.937
  125    HB2  GLU  18           2HB      GLU  18   5.290  14.230  -3.483
  126    HB3  GLU  18           1HB      GLU  18   5.126  13.410  -5.037
  127    HG2  GLU  18           2HG      GLU  18   2.998  15.279  -3.989
  128    HG3  GLU  18           1HG      GLU  18   4.361  15.863  -4.940
  129    H    ILE  19           H        ILE  19   6.037  11.872  -3.348
  130    HA   ILE  19           HA       ILE  19   6.162   9.784  -5.107
  131    HB   ILE  19           HB       ILE  19   7.395  10.172  -2.393
  132   HG12  ILE  19          2HG1      ILE  19   8.792   9.822  -5.035
  133   HG13  ILE  19          1HG1      ILE  19   8.027  11.363  -4.649
  134   HG21  ILE  19          1HG2      ILE  19   7.319   7.825  -2.412
  135   HG22  ILE  19          2HG2      ILE  19   8.872   8.165  -3.176
  136   HG23  ILE  19          3HG2      ILE  19   7.476   7.740  -4.168
  137   HD11  ILE  19          3HD1      ILE  19  10.395  11.367  -3.961
  138   HD12  ILE  19          1HD1      ILE  19  10.105   9.952  -2.948
  139   HD13  ILE  19          2HD1      ILE  19   9.334  11.489  -2.558
  140    H    GLU  20           H        GLU  20   4.734   9.767  -1.871
  141    HA   GLU  20           HA       GLU  20   4.187   6.993  -1.749
  142    HB2  GLU  20           2HB      GLU  20   3.419   9.410  -0.254
  143    HB3  GLU  20           1HB      GLU  20   2.215   8.121  -0.228
  144    HG2  GLU  20           2HG      GLU  20   3.851   7.917   1.634
  145    HG3  GLU  20           1HG      GLU  20   3.890   6.525   0.553
  146    H    ALA  21           H        ALA  21   2.213   9.770  -2.772
  147    HA   ALA  21           HA       ALA  21  -0.152   8.403  -3.329
  148    HB1  ALA  21           1HB      ALA  21   1.077  10.914  -4.425
  149    HB2  ALA  21           2HB      ALA  21  -0.342  10.729  -3.395
  150    HB3  ALA  21           3HB      ALA  21  -0.428  10.291  -5.100
  151    H    LYS  22           H        LYS  22   2.485   9.245  -5.589
  152    HA   LYS  22           HA       LYS  22   1.480   7.992  -7.859
  153    HB2  LYS  22           2HB      LYS  22   4.333   8.389  -6.947
  154    HB3  LYS  22           1HB      LYS  22   3.898   7.806  -8.551
  155    HG2  LYS  22           2HG      LYS  22   2.383  10.190  -7.792
  156    HG3  LYS  22           1HG      LYS  22   4.119  10.478  -7.774
  157    HD2  LYS  22           2HD      LYS  22   3.333  10.984  -9.994
  158    HD3  LYS  22           1HD      LYS  22   4.232   9.475 -10.095
  159    HE2  LYS  22           2HE      LYS  22   1.244   9.452  -9.668
  160    HE3  LYS  22           1HE      LYS  22   1.920   9.627 -11.284
  161    HZ1  LYS  22           3HZ      LYS  22   3.330   7.593 -10.586
  162    HZ2  LYS  22           1HZ      LYS  22   1.728   7.366 -11.092
  163    HZ3  LYS  22           2HZ      LYS  22   2.104   7.351  -9.436
  164    H    GLU  23           H        GLU  23   3.601   6.629  -5.341
  165    HA   GLU  23           HA       GLU  23   3.824   4.055  -6.486
  166    HB2  GLU  23           2HB      GLU  23   4.450   5.331  -3.912
  167    HB3  GLU  23           1HB      GLU  23   4.035   3.622  -3.780
  168    HG2  GLU  23           2HG      GLU  23   6.001   4.630  -5.839
  169    HG3  GLU  23           1HG      GLU  23   6.505   4.179  -4.210
  170    H    ALA  24           H        ALA  24   1.722   5.335  -3.936
  171    HA   ALA  24           HA       ALA  24   0.240   3.181  -3.243
  172    HB1  ALA  24           1HB      ALA  24  -0.229   6.070  -3.419
  173    HB2  ALA  24           2HB      ALA  24  -0.591   4.951  -2.107
  174    HB3  ALA  24           3HB      ALA  24  -1.704   5.106  -3.465
  175    H    CYS  25           H        CYS  25  -0.326   5.226  -6.091
  176    HA   CYS  25           HA       CYS  25  -2.515   3.625  -7.042
  177    HB2  CYS  25           2HB      CYS  25  -2.853   5.592  -8.070
  178    HB3  CYS  25           1HB      CYS  25  -1.189   6.105  -7.787
  179    HG   CYS  25           HG       CYS  25  -1.366   4.037 -10.017
  180    H    ASP  26           H        ASP  26   0.923   3.927  -7.851
  181    HA   ASP  26           HA       ASP  26   0.788   2.071 -10.044
  182    HB2  ASP  26           2HB      ASP  26   3.208   3.007  -8.490
  183    HB3  ASP  26           1HB      ASP  26   3.206   2.258 -10.084
  184    H    TRP  27           H        TRP  27   0.784   1.741  -6.691
  185    HA   TRP  27           HA       TRP  27   2.095  -0.876  -6.688
  186    HB2  TRP  27           2HB      TRP  27   2.577   0.685  -4.849
  187    HB3  TRP  27           1HB      TRP  27   0.864   0.725  -4.432
  188    HD1  TRP  27           HD       TRP  27   3.947  -1.492  -4.269
  189    HE1  TRP  27           1HE      TRP  27   3.458  -3.496  -2.720
  190    HE3  TRP  27           3HE      TRP  27  -1.057  -0.819  -3.508
  191    HZ2  TRP  27           2HZ      TRP  27   1.238  -4.657  -1.341
  192    HZ3  TRP  27           3HZ      TRP  27  -2.334  -2.386  -2.075
  193    HH2  TRP  27           HH       TRP  27  -1.192  -4.302  -0.992
  194    H    LEU  28           H        LEU  28  -1.090   0.588  -6.268
  195    HA   LEU  28           HA       LEU  28  -2.495  -1.677  -5.398
  196    HB2  LEU  28           2HB      LEU  28  -3.269   0.816  -6.876
  197    HB3  LEU  28           1HB      LEU  28  -4.450  -0.474  -6.657
  198    HG   LEU  28           HG       LEU  28  -2.875   0.431  -4.276
  199   HD11  LEU  28          1HD1      LEU  28  -5.290   1.878  -5.400
  200   HD12  LEU  28          2HD1      LEU  28  -3.655   2.527  -5.321
  201   HD13  LEU  28          3HD1      LEU  28  -4.543   2.196  -3.835
  202   HD21  LEU  28          3HD2      LEU  28  -4.993  -0.145  -3.142
  203   HD22  LEU  28          1HD2      LEU  28  -4.429  -1.490  -4.132
  204   HD23  LEU  28          2HD2      LEU  28  -5.744  -0.467  -4.704
  205    H    ARG  29           H        ARG  29  -1.275  -0.795  -8.526
  206    HA   ARG  29           HA       ARG  29  -2.927  -2.620 -10.018
  207    HB2  ARG  29           2HB      ARG  29  -0.758  -0.709 -10.582
  208    HB3  ARG  29           1HB      ARG  29  -0.780  -2.127 -11.631
  209    HG2  ARG  29           2HG      ARG  29  -3.142  -1.719 -12.169
  210    HG3  ARG  29           1HG      ARG  29  -3.155  -0.321 -11.092
  211    HD2  ARG  29           2HD      ARG  29  -0.951   0.090 -12.775
  212    HD3  ARG  29           1HD      ARG  29  -2.220  -0.515 -13.835
  213    HE   ARG  29           HE       ARG  29  -2.113   2.078 -12.790
  214   HH11  ARG  29          1HH2      ARG  29  -4.305  -0.590 -13.023
  215   HH12  ARG  29          2HH2      ARG  29  -5.726   0.402 -13.053
  216   HH21  ARG  29          1HH1      ARG  29  -3.971   3.384 -12.831
  217   HH22  ARG  29          2HH1      ARG  29  -5.536   2.652 -12.943
  218    H    ALA  30           H        ALA  30   0.322  -2.686  -8.627
  219    HA   ALA  30           HA       ALA  30   0.879  -5.313  -9.743
  220    HB1  ALA  30           1HB      ALA  30   2.407  -3.166  -8.583
  221    HB2  ALA  30           2HB      ALA  30   2.973  -4.557  -9.507
  222    HB3  ALA  30           3HB      ALA  30   2.781  -4.680  -7.758
  223    H    ALA  31           H        ALA  31  -0.876  -4.178  -7.153
  224    HA   ALA  31           HA       ALA  31  -0.201  -6.423  -5.385
  225    HB1  ALA  31           1HB      ALA  31  -0.411  -4.566  -4.038
  226    HB2  ALA  31           2HB      ALA  31  -2.069  -5.165  -3.988
  227    HB3  ALA  31           3HB      ALA  31  -1.644  -3.831  -5.060
  228    H    GLY  32           H        GLY  32  -2.363  -5.650  -7.852
  229    HA2  GLY  32           2HA      GLY  32  -3.831  -7.350  -8.723
  230    HA3  GLY  32           1HA      GLY  32  -4.110  -7.898  -7.073
  231    H    PHE  33           H        PHE  33  -4.040  -4.504  -7.709
  232    HA   PHE  33           HA       PHE  33  -6.991  -4.377  -7.677
  233    HB2  PHE  33           2HB      PHE  33  -5.123  -2.641  -6.051
  234    HB3  PHE  33           1HB      PHE  33  -6.863  -2.493  -6.119
  235    HD1  PHE  33           1HD      PHE  33  -8.279  -4.541  -5.441
  236    HD2  PHE  33           2HD      PHE  33  -4.104  -4.121  -4.521
  237    HE1  PHE  33           1HE      PHE  33  -8.498  -6.254  -3.659
  238    HE2  PHE  33           2HE      PHE  33  -4.323  -5.835  -2.741
  239    HZ   PHE  33           HZ       PHE  33  -6.520  -6.900  -2.310
  240    HA   PRO  34           HA       PRO  34  -5.200  -1.665 -10.961
  241    HB2  PRO  34           2HB      PRO  34  -6.483  -2.763 -13.086
  242    HB3  PRO  34           1HB      PRO  34  -4.969  -3.419 -12.438
  243    HG2  PRO  34           2HG      PRO  34  -7.740  -4.416 -12.150
  244    HG3  PRO  34           1HG      PRO  34  -6.213  -5.310 -12.211
  245    HD2  PRO  34           2HD      PRO  34  -7.667  -4.696  -9.881
  246    HD3  PRO  34           1HD      PRO  34  -5.984  -5.261  -9.938
  247    H    GLN  35           H        GLN  35  -8.552  -2.780 -10.527
  248    HA   GLN  35           HA       GLN  35  -9.835  -0.714 -11.942
  249    HB2  GLN  35           2HB      GLN  35 -11.147  -2.595 -11.396
  250    HB3  GLN  35           1HB      GLN  35 -10.682  -2.533  -9.697
  251    HG2  GLN  35           2HG      GLN  35 -12.090  -0.168 -10.872
  252    HG3  GLN  35           1HG      GLN  35 -13.031  -1.607 -10.494
  253   HE21  GLN  35          1HE2      GLN  35 -12.068  -2.549  -8.146
  254   HE22  GLN  35          2HE2      GLN  35 -12.109  -1.366  -6.929
  255    H    TYR  36           H        TYR  36  -8.630  -0.918  -8.641
  256    HA   TYR  36           HA       TYR  36  -9.900   1.356  -7.575
  257    HB2  TYR  36           2HB      TYR  36  -7.536  -0.297  -6.904
  258    HB3  TYR  36           1HB      TYR  36  -7.553   1.336  -6.238
  259    HD1  TYR  36           2HD      TYR  36  -9.484   2.092  -4.840
  260    HD2  TYR  36           1HD      TYR  36  -9.040  -1.986  -6.105
  261    HE1  TYR  36           2HE      TYR  36 -11.093   1.374  -3.090
  262    HE2  TYR  36           1HE      TYR  36 -10.647  -2.704  -4.359
  263    HH   TYR  36           HH       TYR  36 -11.776  -2.060  -2.526
  264    H    ALA  37           H        ALA  37  -6.457   1.183  -8.508
  265    HA   ALA  37           HA       ALA  37  -5.730   3.773  -8.521
  266    HB1  ALA  37           1HB      ALA  37  -4.123   2.158  -9.189
  267    HB2  ALA  37           2HB      ALA  37  -4.320   3.236 -10.571
  268    HB3  ALA  37           3HB      ALA  37  -5.097   1.652 -10.569
  269    H    GLN  38           H        GLN  38  -7.625   2.211 -11.070
  270    HA   GLN  38           HA       GLN  38  -7.735   4.161 -12.988
  271    HB2  GLN  38           2HB      GLN  38  -9.191   1.844 -12.330
  272    HB3  GLN  38           1HB      GLN  38 -10.386   3.123 -12.547
  273    HG2  GLN  38           2HG      GLN  38  -8.178   2.463 -14.518
  274    HG3  GLN  38           1HG      GLN  38  -9.857   1.960 -14.678
  275   HE21  GLN  38          1HE2      GLN  38  -7.648   4.601 -15.169
  276   HE22  GLN  38          2HE2      GLN  38  -8.796   5.725 -15.718
  277    H    LEU  39           H        LEU  39  -9.563   4.038  -9.950
  278    HA   LEU  39           HA       LEU  39 -11.274   6.207 -10.418
  279    HB2  LEU  39           2HB      LEU  39 -10.162   4.955  -7.923
  280    HB3  LEU  39           1HB      LEU  39 -11.149   6.406  -7.825
  281    HG   LEU  39           HG       LEU  39 -12.150   4.150  -9.510
  282   HD11  LEU  39          1HD1      LEU  39 -11.861   4.132  -6.527
  283   HD12  LEU  39          2HD1      LEU  39 -11.744   2.795  -7.671
  284   HD13  LEU  39          3HD1      LEU  39 -13.323   3.448  -7.238
  285   HD21  LEU  39          3HD2      LEU  39 -14.313   4.998  -8.668
  286   HD22  LEU  39          1HD2      LEU  39 -13.363   6.302  -9.376
  287   HD23  LEU  39          2HD2      LEU  39 -13.464   6.135  -7.623
  288    H    TYR  40           H        TYR  40  -7.905   6.103  -9.433
  289    HA   TYR  40           HA       TYR  40  -7.552   8.666  -8.416
  290    HB2  TYR  40           2HB      TYR  40  -5.802   6.884  -8.505
  291    HB3  TYR  40           1HB      TYR  40  -5.619   7.207 -10.229
  292    HD1  TYR  40           2HD      TYR  40  -5.729   9.075  -6.972
  293    HD2  TYR  40           1HD      TYR  40  -3.988   8.744 -10.885
  294    HE1  TYR  40           2HE      TYR  40  -4.204  10.958  -6.451
  295    HE2  TYR  40           1HE      TYR  40  -2.462  10.626 -10.364
  296    HH   TYR  40           HH       TYR  40  -1.700  11.634  -7.497
  297    H    GLU  41           H        GLU  41  -7.022   7.663 -11.807
  298    HA   GLU  41           HA       GLU  41  -6.496  10.031 -13.007
  299    HB2  GLU  41           2HB      GLU  41  -8.222   7.744 -13.935
  300    HB3  GLU  41           1HB      GLU  41  -7.897   9.134 -14.970
  301    HG2  GLU  41           2HG      GLU  41  -5.688   8.592 -15.244
  302    HG3  GLU  41           1HG      GLU  41  -5.547   7.912 -13.623
  303    H    ASP  42           H        ASP  42  -9.728   8.882 -12.066
  304    HA   ASP  42           HA       ASP  42 -11.032  11.259 -13.055
  305    HB2  ASP  42           2HB      ASP  42 -12.031   8.888 -12.823
  306    HB3  ASP  42           1HB      ASP  42 -12.235   9.294 -11.120
  307    H    SER  43           H        SER  43  -9.530  10.256 -10.110
  308    HA   SER  43           HA       SER  43  -8.983  11.532  -8.256
  309    HB2  SER  43           2HB      SER  43  -9.232  13.812  -8.300
  310    HB3  SER  43           1HB      SER  43  -9.463  13.484 -10.015
  311    HG   SER  43           HG       SER  43 -11.794  13.123  -8.892
  312    H    GLN  44           H        GLN  44 -11.267   9.687  -8.574
  313    HA   GLN  44           HA       GLN  44 -13.107  10.762  -6.523
  314    HB2  GLN  44           2HB      GLN  44 -13.491   8.448  -8.439
  315    HB3  GLN  44           1HB      GLN  44 -14.682   9.036  -7.281
  316    HG2  GLN  44           2HG      GLN  44 -13.666  11.224  -8.881
  317    HG3  GLN  44           1HG      GLN  44 -14.297   9.945  -9.917
  318   HE21  GLN  44          1HE2      GLN  44 -16.510   8.983  -8.814
  319   HE22  GLN  44          2HE2      GLN  44 -17.625  10.193  -8.396
  320    H    PHE  45           H        PHE  45 -10.412   9.608  -6.080
  321    HA   PHE  45           HA       PHE  45 -10.608   6.970  -5.082
  322    HB2  PHE  45           2HB      PHE  45  -8.621   9.026  -5.217
  323    HB3  PHE  45           1HB      PHE  45  -8.666   8.379  -3.577
  324    HD1  PHE  45           1HD      PHE  45  -8.804   7.178  -7.130
  325    HD2  PHE  45           2HD      PHE  45  -7.428   6.447  -3.128
  326    HE1  PHE  45           1HE      PHE  45  -7.604   5.154  -7.912
  327    HE2  PHE  45           2HE      PHE  45  -6.230   4.422  -3.910
  328    HZ   PHE  45           HZ       PHE  45  -6.322   3.774  -6.296
  329    HA   PRO  46           HA       PRO  46 -11.328   9.100  -0.823
  330    HB2  PRO  46           2HB      PRO  46 -12.926  11.462  -1.579
  331    HB3  PRO  46           1HB      PRO  46 -11.560  11.343  -0.456
  332    HG2  PRO  46           2HG      PRO  46 -11.386  12.556  -2.858
  333    HG3  PRO  46           1HG      PRO  46 -10.017  11.748  -2.076
  334    HD2  PRO  46           2HD      PRO  46 -11.699  10.811  -4.364
  335    HD3  PRO  46           1HD      PRO  46  -9.973  10.527  -4.035
  336    H    ILE  47           H        ILE  47 -12.775   7.639  -0.230
  337    HA   ILE  47           HA       ILE  47 -15.588   8.065  -0.416
  338    HB   ILE  47           HB       ILE  47 -15.929   5.776  -1.632
  339   HG12  ILE  47          2HG1      ILE  47 -13.552   6.409  -3.258
  340   HG13  ILE  47          1HG1      ILE  47 -13.194   5.783  -1.649
  341   HG21  ILE  47          1HG2      ILE  47 -16.235   8.313  -2.537
  342   HG22  ILE  47          2HG2      ILE  47 -16.512   6.898  -3.541
  343   HG23  ILE  47          3HG2      ILE  47 -14.978   7.753  -3.639
  344   HD11  ILE  47          3HD1      ILE  47 -13.512   4.062  -3.547
  345   HD12  ILE  47          1HD1      ILE  47 -15.230   4.446  -3.427
  346   HD13  ILE  47          2HD1      ILE  47 -14.376   3.778  -2.037
  347    H    ASN  48           H        ASN  48 -16.702   5.830   0.272
  348    HA   ASN  48           HA       ASN  48 -15.818   5.245   2.862
  349    HB2  ASN  48           2HB      ASN  48 -18.111   4.794   1.780
  350    HB3  ASN  48           1HB      ASN  48 -17.390   3.305   1.171
  351   HD21  ASN  48          1HD2      ASN  48 -19.537   3.195   3.025
  352   HD22  ASN  48          2HD2      ASN  48 -18.954   2.600   4.504
  353    H    ILE  49           H        ILE  49 -13.533   4.866   2.623
  354    HA   ILE  49           HA       ILE  49 -12.406   2.818   1.060
  355    HB   ILE  49           HB       ILE  49 -11.488   4.206   3.571
  356   HG12  ILE  49          2HG1      ILE  49 -10.349   4.222   0.764
  357   HG13  ILE  49          1HG1      ILE  49 -11.579   5.368   1.297
  358   HG21  ILE  49          1HG2      ILE  49 -10.311   2.228   3.841
  359   HG22  ILE  49          2HG2      ILE  49  -9.228   3.079   2.743
  360   HG23  ILE  49          3HG2      ILE  49 -10.333   1.855   2.118
  361   HD11  ILE  49          3HD1      ILE  49  -9.304   5.107   3.149
  362   HD12  ILE  49          1HD1      ILE  49 -10.102   6.559   2.545
  363   HD13  ILE  49          2HD1      ILE  49  -8.873   5.757   1.567
  364    H    VAL  50           H        VAL  50 -13.599   2.819   4.393
  365    HA   VAL  50           HA       VAL  50 -12.747   0.308   5.218
  366    HB   VAL  50           HB       VAL  50 -15.449   1.417   5.944
  367   HG11  VAL  50          1HG1      VAL  50 -14.971   0.390   8.078
  368   HG12  VAL  50          2HG1      VAL  50 -13.309   0.050   7.598
  369   HG13  VAL  50          3HG1      VAL  50 -14.643  -0.809   6.827
  370   HG21  VAL  50          3HG2      VAL  50 -14.147   3.357   6.168
  371   HG22  VAL  50          1HG2      VAL  50 -12.692   2.448   6.575
  372   HG23  VAL  50          2HG2      VAL  50 -13.985   2.616   7.761
  373    H    ALA  51           H        ALA  51 -15.729   1.136   3.452
  374    HA   ALA  51           HA       ALA  51 -16.699  -1.559   3.446
  375    HB1  ALA  51           1HB      ALA  51 -17.505   0.841   1.797
  376    HB2  ALA  51           2HB      ALA  51 -18.242   0.310   3.308
  377    HB3  ALA  51           3HB      ALA  51 -18.385  -0.686   1.860
  378    H    VAL  52           H        VAL  52 -15.737   0.484   0.676
  379    HA   VAL  52           HA       VAL  52 -15.737  -1.368  -1.309
  380    HB   VAL  52           HB       VAL  52 -13.960  -0.071  -2.424
  381   HG11  VAL  52          1HG1      VAL  52 -16.457   0.759  -1.852
  382   HG12  VAL  52          2HG1      VAL  52 -15.316   1.756  -2.748
  383   HG13  VAL  52          3HG1      VAL  52 -15.549   2.022  -1.020
  384   HG21  VAL  52          3HG2      VAL  52 -12.378   0.434  -0.761
  385   HG22  VAL  52          1HG2      VAL  52 -13.615   0.970   0.374
  386   HG23  VAL  52          2HG2      VAL  52 -13.187   1.984  -1.002
  387    H    LYS  53           H        LYS  53 -12.912  -0.781   0.819
  388    HA   LYS  53           HA       LYS  53 -11.323  -2.818  -0.307
  389    HB2  LYS  53           2HB      LYS  53  -9.866  -2.519   1.517
  390    HB3  LYS  53           1HB      LYS  53 -10.594  -0.938   1.250
  391    HG2  LYS  53           2HG      LYS  53 -12.311  -1.577   3.022
  392    HG3  LYS  53           1HG      LYS  53 -11.266  -2.946   3.407
  393    HD2  LYS  53           2HD      LYS  53  -9.432  -0.965   3.400
  394    HD3  LYS  53           1HD      LYS  53 -10.853  -0.049   3.900
  395    HE2  LYS  53           2HE      LYS  53 -11.272  -1.757   5.678
  396    HE3  LYS  53           1HE      LYS  53  -9.761  -2.547   5.225
  397    HZ1  LYS  53           3HZ      LYS  53  -8.551  -0.984   6.234
  398    HZ2  LYS  53           1HZ      LYS  53  -9.981  -0.584   7.053
  399    HZ3  LYS  53           2HZ      LYS  53  -9.523   0.290   5.670
  400    H    ASN  54           H        ASN  54 -13.457  -2.838   2.513
  401    HA   ASN  54           HA       ASN  54 -13.021  -5.451   3.383
  402    HB2  ASN  54           2HB      ASN  54 -15.365  -3.592   3.500
  403    HB3  ASN  54           1HB      ASN  54 -15.605  -5.279   3.948
  404   HD21  ASN  54          1HD2      ASN  54 -12.714  -3.203   4.479
  405   HD22  ASN  54          2HD2      ASN  54 -12.736  -3.355   6.169
  406    H    ASP  55           H        ASP  55 -15.368  -4.227   1.033
  407    HA   ASP  55           HA       ASP  55 -16.400  -6.746   0.263
  408    HB2  ASP  55           2HB      ASP  55 -16.297  -4.336  -1.539
  409    HB3  ASP  55           1HB      ASP  55 -17.529  -5.594  -1.458
  410    H    HIS  56           H        HIS  56 -13.835  -4.717  -1.137
  411    HA   HIS  56           HA       HIS  56 -13.310  -6.511  -3.310
  412    HB2  HIS  56           2HB      HIS  56 -11.857  -4.148  -2.142
  413    HB3  HIS  56           1HB      HIS  56 -11.136  -5.124  -3.421
  414    HD2  HIS  56           2HD      HIS  56 -12.496  -4.968  -5.946
  415    HE1  HIS  56           1HE      HIS  56 -15.010  -1.766  -4.830
  416    HE2  HIS  56           2HE      HIS  56 -14.187  -3.163  -6.784
  417    H    ASP  57           H        ASP  57 -13.259  -7.623  -0.533
  418    HA   ASP  57           HA       ASP  57 -10.526  -8.267   0.065
  419    HB2  ASP  57           2HB      ASP  57 -13.206  -9.123   1.086
  420    HB3  ASP  57           1HB      ASP  57 -11.792 -10.105   1.470
  421    H    PHE  58           H        PHE  58 -12.506  -9.198  -2.402
  422    HA   PHE  58           HA       PHE  58 -12.442 -11.903  -2.708
  423    HB2  PHE  58           2HB      PHE  58 -12.575 -11.574  -5.033
  424    HB3  PHE  58           1HB      PHE  58 -13.225 -10.079  -4.360
  425    HD1  PHE  58           2HD      PHE  58 -11.780  -8.035  -4.228
  426    HD2  PHE  58           1HD      PHE  58 -10.533 -11.594  -6.285
  427    HE1  PHE  58           2HE      PHE  58 -10.024  -6.739  -5.406
  428    HE2  PHE  58           1HE      PHE  58  -8.778 -10.299  -7.463
  429    HZ   PHE  58           HZ       PHE  58  -8.523  -7.871  -7.024
  430    H    LEU  59           H        LEU  59  -9.723  -9.776  -2.573
  431    HA   LEU  59           HA       LEU  59  -7.899 -11.777  -3.671
  432    HB2  LEU  59           2HB      LEU  59  -7.845  -9.107  -3.888
  433    HB3  LEU  59           1HB      LEU  59  -6.886  -9.275  -2.417
  434    HG   LEU  59           HG       LEU  59  -5.663 -11.164  -3.822
  435   HD11  LEU  59          1HD1      LEU  59  -7.278 -10.885  -5.738
  436   HD12  LEU  59          2HD1      LEU  59  -5.588 -10.682  -6.195
  437   HD13  LEU  59          3HD1      LEU  59  -6.620  -9.268  -5.985
  438   HD21  LEU  59          3HD2      LEU  59  -4.576  -9.154  -2.936
  439   HD22  LEU  59          1HD2      LEU  59  -5.259  -8.186  -4.244
  440   HD23  LEU  59          2HD2      LEU  59  -4.057  -9.428  -4.599
  441    H    GLU  60           H        GLU  60  -5.670 -11.031  -2.011
  442    HA   GLU  60           HA       GLU  60  -6.109 -12.873   0.160
  443    HB2  GLU  60           2HB      GLU  60  -3.804 -11.430  -1.022
  444    HB3  GLU  60           1HB      GLU  60  -3.672 -11.842   0.689
  445    HG2  GLU  60           2HG      GLU  60  -3.979 -14.166   0.254
  446    HG3  GLU  60           1HG      GLU  60  -4.517 -13.860  -1.395
  447    H    LYS  61           H        LYS  61  -5.871 -12.418   2.394
  448    HA   LYS  61           HA       LYS  61  -7.147 -10.011   3.242
  449    HB2  LYS  61           2HB      LYS  61  -6.584 -12.535   4.360
  450    HB3  LYS  61           1HB      LYS  61  -5.753 -11.366   5.382
  451    HG2  LYS  61           2HG      LYS  61  -8.667 -11.115   4.567
  452    HG3  LYS  61           1HG      LYS  61  -8.128 -11.836   6.081
  453    HD2  LYS  61           2HD      LYS  61  -7.541  -9.826   6.996
  454    HD3  LYS  61           1HD      LYS  61  -6.994  -9.162   5.458
  455    HE2  LYS  61           2HE      LYS  61  -9.917  -9.639   6.078
  456    HE3  LYS  61           1HE      LYS  61  -9.106  -8.110   6.424
  457    HZ1  LYS  61           3HZ      LYS  61  -8.482  -8.925   3.805
  458    HZ2  LYS  61           1HZ      LYS  61  -9.311  -7.535   4.311
  459    HZ3  LYS  61           2HZ      LYS  61 -10.169  -8.968   4.001
  460    H    ASP  62           H        ASP  62  -3.814 -11.228   3.464
  461    HA   ASP  62           HA       ASP  62  -2.760  -9.020   4.886
  462    HB2  ASP  62           2HB      ASP  62  -1.489 -11.051   4.796
  463    HB3  ASP  62           1HB      ASP  62  -1.473 -11.032   3.032
  464    H    LEU  63           H        LEU  63  -4.036  -9.188   1.805
  465    HA   LEU  63           HA       LEU  63  -2.321  -7.054   0.733
  466    HB2  LEU  63           2HB      LEU  63  -4.003  -9.173  -0.420
  467    HB3  LEU  63           1HB      LEU  63  -4.177  -7.613  -1.218
  468    HG   LEU  63           HG       LEU  63  -2.356  -9.059  -2.188
  469   HD11  LEU  63          1HD1      LEU  63  -1.447  -7.107  -2.830
  470   HD12  LEU  63          2HD1      LEU  63  -0.663  -6.932  -1.260
  471   HD13  LEU  63          3HD1      LEU  63  -2.289  -6.298  -1.508
  472   HD21  LEU  63          3HD2      LEU  63  -0.535  -8.406   0.046
  473   HD22  LEU  63          1HD2      LEU  63  -0.650  -9.876  -0.921
  474   HD23  LEU  63          2HD2      LEU  63  -1.761  -9.618   0.424
  475    H    VAL  64           H        VAL  64  -5.318  -7.557   2.275
  476    HA   VAL  64           HA       VAL  64  -6.695  -5.288   1.147
  477    HB   VAL  64           HB       VAL  64  -7.231  -7.051   3.543
  478   HG11  VAL  64          1HG1      VAL  64  -8.190  -4.990   4.190
  479   HG12  VAL  64          2HG1      VAL  64  -9.521  -5.844   3.411
  480   HG13  VAL  64          3HG1      VAL  64  -8.650  -4.585   2.535
  481   HG21  VAL  64          3HG2      VAL  64  -8.490  -8.274   2.107
  482   HG22  VAL  64          1HG2      VAL  64  -7.634  -7.424   0.821
  483   HG23  VAL  64          2HG2      VAL  64  -9.199  -6.831   1.380
  484    H    GLU  65           H        GLU  65  -4.846  -5.969   4.088
  485    HA   GLU  65           HA       GLU  65  -5.308  -3.619   5.500
  486    HB2  GLU  65           2HB      GLU  65  -3.226  -5.691   5.469
  487    HB3  GLU  65           1HB      GLU  65  -2.660  -4.115   6.022
  488    HG2  GLU  65           2HG      GLU  65  -5.199  -5.372   7.070
  489    HG3  GLU  65           1HG      GLU  65  -3.629  -5.653   7.821
  490    HA   PRO  66           HA       PRO  66  -1.452  -1.562   3.340
  491    HB2  PRO  66           2HB      PRO  66  -0.985  -2.744   0.819
  492    HB3  PRO  66           1HB      PRO  66   0.043  -2.883   2.254
  493    HG2  PRO  66           2HG      PRO  66  -1.939  -4.779   1.162
  494    HG3  PRO  66           1HG      PRO  66  -0.457  -5.089   2.078
  495    HD2  PRO  66           2HD      PRO  66  -2.911  -5.337   3.182
  496    HD3  PRO  66           1HD      PRO  66  -1.505  -4.813   4.127
  497    H    LEU  67           H        LEU  67  -4.115  -2.983   1.529
  498    HA   LEU  67           HA       LEU  67  -4.386  -1.123  -0.536
  499    HB2  LEU  67           2HB      LEU  67  -5.710  -3.313  -0.072
  500    HB3  LEU  67           1HB      LEU  67  -6.777  -2.280   0.877
  501    HG   LEU  67           HG       LEU  67  -6.531  -0.803  -1.405
  502   HD11  LEU  67          1HD1      LEU  67  -6.741  -3.673  -2.334
  503   HD12  LEU  67          2HD1      LEU  67  -5.213  -2.792  -2.354
  504   HD13  LEU  67          3HD1      LEU  67  -6.573  -2.221  -3.321
  505   HD21  LEU  67          3HD2      LEU  67  -8.771  -1.727  -1.979
  506   HD22  LEU  67          1HD2      LEU  67  -8.627  -1.364  -0.259
  507   HD23  LEU  67          2HD2      LEU  67  -8.507  -3.032  -0.821
  508    H    CYS  68           H        CYS  68  -5.751  -1.089   2.745
  509    HA   CYS  68           HA       CYS  68  -7.108   1.396   2.466
  510    HB2  CYS  68           2HB      CYS  68  -7.968   0.589   4.373
  511    HB3  CYS  68           1HB      CYS  68  -6.644  -0.564   4.546
  512    HG   CYS  68           HG       CYS  68  -6.577   2.357   5.657
  513    H    ARG  69           H        ARG  69  -3.810   0.559   2.953
  514    HA   ARG  69           HA       ARG  69  -3.012   3.001   4.247
  515    HB2  ARG  69           2HB      ARG  69  -1.800   0.678   4.170
  516    HB3  ARG  69           1HB      ARG  69  -1.130   1.291   2.657
  517    HG2  ARG  69           2HG      ARG  69  -0.702   3.455   4.175
  518    HG3  ARG  69           1HG      ARG  69  -0.678   2.237   5.450
  519    HD2  ARG  69           2HD      ARG  69   1.583   2.512   4.627
  520    HD3  ARG  69           1HD      ARG  69   0.989   0.941   4.103
  521    HE   ARG  69           HE       ARG  69   1.121   1.685   1.908
  522   HH11  ARG  69          1HH2      ARG  69   1.206   4.340   4.128
  523   HH12  ARG  69          2HH2      ARG  69   1.557   5.523   2.912
  524   HH21  ARG  69          1HH1      ARG  69   1.580   3.231   0.310
  525   HH22  ARG  69          2HH1      ARG  69   1.768   4.896   0.752
  526    H    ARG  70           H        ARG  70  -2.794   1.722   0.932
  527    HA   ARG  70           HA       ARG  70  -1.650   4.105  -0.156
  528    HB2  ARG  70           2HB      ARG  70  -3.222   2.002  -1.658
  529    HB3  ARG  70           1HB      ARG  70  -1.994   3.081  -2.304
  530    HG2  ARG  70           2HG      ARG  70  -1.625   0.716  -0.473
  531    HG3  ARG  70           1HG      ARG  70  -0.880   1.008  -2.038
  532    HD2  ARG  70           2HD      ARG  70   0.248   3.038  -0.948
  533    HD3  ARG  70           1HD      ARG  70  -0.277   2.366   0.593
  534    HE   ARG  70           HE       ARG  70   1.897   1.425  -1.016
  535   HH11  ARG  70          1HH2      ARG  70  -0.653   0.472   1.119
  536   HH12  ARG  70          2HH2      ARG  70   0.153  -0.961   1.666
  537   HH21  ARG  70          1HH1      ARG  70   2.960  -0.453  -0.308
  538   HH22  ARG  70          2HH1      ARG  70   2.199  -1.484   0.857
  539    H    LEU  71           H        LEU  71  -4.951   2.768  -0.118
  540    HA   LEU  71           HA       LEU  71  -6.193   4.772  -1.607
  541    HB2  LEU  71           2HB      LEU  71  -7.243   3.101   0.685
  542    HB3  LEU  71           1HB      LEU  71  -8.264   4.148  -0.298
  543    HG   LEU  71           HG       LEU  71  -6.471   2.113  -1.612
  544   HD11  LEU  71          1HD1      LEU  71  -8.436   0.557  -1.584
  545   HD12  LEU  71          2HD1      LEU  71  -9.230   1.643  -0.443
  546   HD13  LEU  71          3HD1      LEU  71  -7.739   0.821   0.014
  547   HD21  LEU  71          3HD2      LEU  71  -8.147   4.068  -2.607
  548   HD22  LEU  71          1HD2      LEU  71  -9.190   2.651  -2.611
  549   HD23  LEU  71          2HD2      LEU  71  -7.660   2.621  -3.489
  550    H    ASN  72           H        ASN  72  -5.751   4.583   1.926
  551    HA   ASN  72           HA       ASN  72  -6.961   7.001   2.607
  552    HB2  ASN  72           2HB      ASN  72  -6.222   5.319   4.257
  553    HB3  ASN  72           1HB      ASN  72  -4.542   5.717   3.901
  554   HD21  ASN  72          1HD2      ASN  72  -6.242   8.578   3.602
  555   HD22  ASN  72          2HD2      ASN  72  -6.033   9.179   5.175
  556    H    THR  73           H        THR  73  -3.712   6.328   1.410
  557    HA   THR  73           HA       THR  73  -2.657   8.938   1.827
  558    HB   THR  73           HB       THR  73  -1.804   6.925  -0.264
  559    HG1  THR  73           1HG      THR  73  -1.886   6.013   1.827
  560   HG21  THR  73          3HG2      THR  73  -0.929   9.530   0.350
  561   HG22  THR  73          1HG2      THR  73  -0.107   8.344  -0.664
  562   HG23  THR  73          2HG2      THR  73   0.270   8.445   1.055
  563    H    LEU  74           H        LEU  74  -3.497   7.356  -1.264
  564    HA   LEU  74           HA       LEU  74  -3.422   9.511  -2.943
  565    HB2  LEU  74           2HB      LEU  74  -4.584   6.907  -2.995
  566    HB3  LEU  74           1HB      LEU  74  -5.778   8.050  -3.609
  567    HG   LEU  74           HG       LEU  74  -4.059   8.972  -5.158
  568   HD11  LEU  74          1HD1      LEU  74  -2.309   7.498  -3.476
  569   HD12  LEU  74          2HD1      LEU  74  -1.885   8.466  -4.888
  570   HD13  LEU  74          3HD1      LEU  74  -2.234   6.748  -5.068
  571   HD21  LEU  74          3HD2      LEU  74  -5.630   7.073  -5.773
  572   HD22  LEU  74          1HD2      LEU  74  -4.303   5.965  -5.434
  573   HD23  LEU  74          2HD2      LEU  74  -4.151   7.151  -6.730
  574    H    ASN  75           H        ASN  75  -6.253   8.479  -1.031
  575    HA   ASN  75           HA       ASN  75  -8.098  10.372  -1.772
  576    HB2  ASN  75           2HB      ASN  75  -7.574   9.331   1.022
  577    HB3  ASN  75           1HB      ASN  75  -9.046  10.152   0.507
  578   HD21  ASN  75          1HD2      ASN  75 -10.163   8.059   1.095
  579   HD22  ASN  75          2HD2      ASN  75 -10.143   6.789  -0.027
  580    H    LYS  76           H        LYS  76  -5.808  10.719   0.949
  581    HA   LYS  76           HA       LYS  76  -6.395  13.383   1.560
  582    HB2  LYS  76           2HB      LYS  76  -5.059  11.958   3.035
  583    HB3  LYS  76           1HB      LYS  76  -3.763  11.912   1.839
  584    HG2  LYS  76           2HG      LYS  76  -3.200  14.159   2.164
  585    HG3  LYS  76           1HG      LYS  76  -4.783  14.559   2.833
  586    HD2  LYS  76           2HD      LYS  76  -2.983  14.476   4.569
  587    HD3  LYS  76           1HD      LYS  76  -4.286  13.325   4.872
  588    HE2  LYS  76           2HE      LYS  76  -1.912  12.444   3.263
  589    HE3  LYS  76           1HE      LYS  76  -1.772  12.536   5.020
  590    HZ1  LYS  76           3HZ      LYS  76  -2.635  10.481   4.916
  591    HZ2  LYS  76           1HZ      LYS  76  -3.308  10.709   3.377
  592    HZ3  LYS  76           2HZ      LYS  76  -4.117  11.295   4.750
  593    H    CYS  77           H        CYS  77  -4.625  12.016  -1.071
  594    HA   CYS  77           HA       CYS  77  -3.362  14.570  -1.749
  595    HB2  CYS  77           2HB      CYS  77  -3.225  11.878  -3.129
  596    HB3  CYS  77           1HB      CYS  77  -2.270  13.300  -3.549
  597    HG   CYS  77           HG       CYS  77  -1.507  11.372  -1.429
  598    H    ALA  78           H        ALA  78  -6.073  12.583  -2.621
  599    HA   ALA  78           HA       ALA  78  -6.542  13.788  -5.187
  600    HB1  ALA  78           1HB      ALA  78  -8.054  12.139  -5.388
  601    HB2  ALA  78           2HB      ALA  78  -8.901  12.652  -3.929
  602    HB3  ALA  78           3HB      ALA  78  -7.518  11.564  -3.810
  603    H    SER  79           H        SER  79  -6.474  15.269  -2.385
  604    HA   SER  79           HA       SER  79  -9.024  16.709  -2.632
  605    HB2  SER  79           2HB      SER  79  -8.243  15.880  -0.390
  606    HB3  SER  79           1HB      SER  79  -6.894  17.005  -0.506
  607    HG   SER  79           HG       SER  79  -8.256  18.401   0.267
  608    H    MET  80           H        MET  80  -6.072  16.886  -3.992
  609    HA   MET  80           HA       MET  80  -4.727  18.576  -4.820
  610    HB2  MET  80           2HB      MET  80  -7.556  19.490  -5.263
  611    HB3  MET  80           1HB      MET  80  -6.196  20.481  -5.797
  612    HG2  MET  80           2HG      MET  80  -5.335  18.651  -7.152
  613    HG3  MET  80           1HG      MET  80  -6.582  17.565  -6.540
  614    HE1  MET  80           3HE      MET  80  -7.969  17.184  -9.379
  615    HE2  MET  80           1HE      MET  80  -6.252  17.284  -8.963
  616    HE3  MET  80           2HE      MET  80  -6.909  18.283 -10.257
  617    H    LYS  81           H        LYS  81  -6.970  21.070  -4.067
  618    HA   LYS  81           HA       LYS  81  -6.782  22.950  -2.759
  619    HB2  LYS  81           2HB      LYS  81  -7.229  21.086  -1.055
  620    HB3  LYS  81           1HB      LYS  81  -5.502  21.159  -0.696
  621    HG2  LYS  81           2HG      LYS  81  -5.724  23.586  -0.221
  622    HG3  LYS  81           1HG      LYS  81  -7.459  23.470  -0.515
  623    HD2  LYS  81           2HD      LYS  81  -7.545  23.107   1.739
  624    HD3  LYS  81           1HD      LYS  81  -7.141  21.453   1.277
  625    HE2  LYS  81           2HE      LYS  81  -5.630  22.223   3.051
  626    HE3  LYS  81           1HE      LYS  81  -4.732  21.983   1.553
  627    HZ1  LYS  81           3HZ      LYS  81  -4.404  24.190   1.281
  628    HZ2  LYS  81           1HZ      LYS  81  -4.540  24.189   2.972
  629    HZ3  LYS  81           2HZ      LYS  81  -5.872  24.628   2.013
  Start of MODEL   12
    1    H1   MET   1           1HT      MET   1  12.990 -10.840 -16.068
    2    H2   MET   1           2HT      MET   1  14.303  -9.785 -15.837
    3    H3   MET   1           3HT      MET   1  12.787  -9.420 -15.163
    4    HA   MET   1           HA       MET   1  13.063 -10.764 -13.408
    5    HB2  MET   1           2HB      MET   1  13.020 -12.748 -14.961
    6    HB3  MET   1           1HB      MET   1  14.769 -12.593 -15.120
    7    HG2  MET   1           2HG      MET   1  14.966 -12.803 -12.634
    8    HG3  MET   1           1HG      MET   1  13.231 -13.101 -12.559
    9    HE1  MET   1           2HE      MET   1  13.964 -16.686 -11.960
   10    HE2  MET   1           3HE      MET   1  12.857 -15.333 -11.756
   11    HE3  MET   1           1HE      MET   1  14.521 -15.213 -11.170
   12    H    HIS   2           H        HIS   2  14.496 -10.454 -11.762
   13    HA   HIS   2           HA       HIS   2  17.336 -10.183 -12.245
   14    HB2  HIS   2           2HB      HIS   2  15.686  -7.785 -11.414
   15    HB3  HIS   2           1HB      HIS   2  17.445  -7.865 -11.340
   16    HD2  HIS   2           2HD      HIS   2  18.754  -7.725 -13.860
   17    HE1  HIS   2           1HE      HIS   2  15.258  -7.082 -16.138
   18    HE2  HIS   2           2HE      HIS   2  17.797  -7.093 -16.206
   19    H    HIS   3           H        HIS   3  16.565  -8.217  -9.711
   20    HA   HIS   3           HA       HIS   3  16.892 -10.423  -7.775
   21    HB2  HIS   3           2HB      HIS   3  17.296  -7.632  -6.888
   22    HB3  HIS   3           1HB      HIS   3  18.248  -9.077  -6.544
   23    HD2  HIS   3           2HD      HIS   3  18.492  -5.983  -8.759
   24    HE1  HIS   3           1HE      HIS   3  21.126  -8.816 -10.453
   25    HE2  HIS   3           2HE      HIS   3  20.416  -6.376 -10.480
   26    H    HIS   4           H        HIS   4  15.613 -10.502  -5.918
   27    HA   HIS   4           HA       HIS   4  13.657 -10.333  -4.724
   28    HB2  HIS   4           2HB      HIS   4  13.486  -7.475  -5.664
   29    HB3  HIS   4           1HB      HIS   4  12.951  -8.162  -4.130
   30    HD2  HIS   4           2HD      HIS   4  15.906  -9.768  -3.563
   31    HE1  HIS   4           1HE      HIS   4  17.414  -5.825  -3.484
   32    HE2  HIS   4           2HE      HIS   4  17.896  -8.236  -2.846
   33    H    HIS   5           H        HIS   5  11.579  -8.269  -5.556
   34    HA   HIS   5           HA       HIS   5  10.304  -9.960  -7.597
   35    HB2  HIS   5           2HB      HIS   5   9.359  -8.412  -5.297
   36    HB3  HIS   5           1HB      HIS   5   8.399  -8.158  -6.754
   37    HD2  HIS   5           2HD      HIS   5   9.970 -11.598  -5.486
   38    HE1  HIS   5           1HE      HIS   5   5.811 -12.080  -6.035
   39    HE2  HIS   5           2HE      HIS   5   7.968 -13.274  -5.422
   40    H    HIS   6           H        HIS   6  10.137  -6.489  -6.789
   41    HA   HIS   6           HA       HIS   6  10.816  -5.819  -9.561
   42    HB2  HIS   6           2HB      HIS   6   8.856  -4.209  -9.596
   43    HB3  HIS   6           1HB      HIS   6   8.434  -5.917  -9.713
   44    HD2  HIS   6           2HD      HIS   6   9.325  -5.024  -6.102
   45    HE1  HIS   6           1HE      HIS   6   5.118  -4.762  -6.362
   46    HE2  HIS   6           2HE      HIS   6   7.093  -4.806  -4.764
   47    H    HIS   7           H        HIS   7   9.248  -3.294  -8.057
   48    HA   HIS   7           HA       HIS   7  11.737  -1.886  -7.603
   49    HB2  HIS   7           2HB      HIS   7   9.158  -0.682  -6.763
   50    HB3  HIS   7           1HB      HIS   7  10.485   0.022  -7.686
   51    HD2  HIS   7           2HD      HIS   7   7.324  -2.258  -8.348
   52    HE1  HIS   7           1HE      HIS   7   8.810  -0.904 -12.061
   53    HE2  HIS   7           2HE      HIS   7   6.921  -2.168 -10.927
   54    H    SER   8           H        SER   8   9.127  -3.252  -5.668
   55    HA   SER   8           HA       SER   8   9.084  -3.844  -3.441
   56    HB2  SER   8           2HB      SER   8  11.065  -4.214  -2.332
   57    HB3  SER   8           1HB      SER   8  11.674  -4.124  -3.983
   58    HG   SER   8           HG       SER   8  12.830  -2.773  -2.517
   59    H    SER   9           H        SER   9   8.068  -1.381  -4.341
   60    HA   SER   9           HA       SER   9   7.466   0.734  -3.637
   61    HB2  SER   9           2HB      SER   9   7.805  -0.390  -0.861
   62    HB3  SER   9           1HB      SER   9   6.636   0.801  -1.422
   63    HG   SER   9           HG       SER   9   6.620  -1.956  -1.606
   64    H    GLY  10           H        GLY  10   8.337   1.573  -0.807
   65    HA2  GLY  10           2HA      GLY  10  10.828   1.942  -0.140
   66    HA3  GLY  10           1HA      GLY  10  10.864   2.804  -1.676
   67    H    LEU  11           H        LEU  11   9.223   2.699   1.469
   68    HA   LEU  11           HA       LEU  11   8.068   5.323   1.155
   69    HB2  LEU  11           2HB      LEU  11   8.396   3.843   3.761
   70    HB3  LEU  11           1HB      LEU  11   7.145   5.001   3.306
   71    HG   LEU  11           HG       LEU  11   7.529   2.223   2.151
   72   HD11  LEU  11          1HD1      LEU  11   5.484   3.483   3.991
   73   HD12  LEU  11          2HD1      LEU  11   6.478   2.055   4.287
   74   HD13  LEU  11          3HD1      LEU  11   5.166   1.988   3.111
   75   HD21  LEU  11          3HD2      LEU  11   6.708   3.440   0.331
   76   HD22  LEU  11          1HD2      LEU  11   5.822   4.568   1.359
   77   HD23  LEU  11          2HD2      LEU  11   5.213   2.931   1.116
   78    H    VAL  12           H        VAL  12   8.773   7.243   1.986
   79    HA   VAL  12           HA       VAL  12  11.313   7.243   3.485
   80    HB   VAL  12           HB       VAL  12  11.568   9.499   1.991
   81   HG11  VAL  12          1HG1      VAL  12  13.307   7.814   2.318
   82   HG12  VAL  12          2HG1      VAL  12  13.140   8.149   0.594
   83   HG13  VAL  12          3HG1      VAL  12  12.443   6.681   1.281
   84   HG21  VAL  12          3HG2      VAL  12   9.456   8.677   0.745
   85   HG22  VAL  12          1HG2      VAL  12  10.506   7.444   0.048
   86   HG23  VAL  12          2HG2      VAL  12  10.839   9.152  -0.238
   87    HA   PRO  13           HA       PRO  13   9.253  10.168   6.075
   88    HB2  PRO  13           2HB      PRO  13  11.311  11.791   6.867
   89    HB3  PRO  13           1HB      PRO  13  11.076  10.141   7.478
   90    HG2  PRO  13           2HG      PRO  13  12.950  11.143   5.395
   91    HG3  PRO  13           1HG      PRO  13  13.200   9.912   6.645
   92    HD2  PRO  13           2HD      PRO  13  12.688   9.292   4.028
   93    HD3  PRO  13           1HD      PRO  13  12.234   8.238   5.384
   94    H    ARG  14           H        ARG  14   9.609  12.806   6.551
   95    HA   ARG  14           HA       ARG  14   9.056  14.889   5.757
   96    HB2  ARG  14           2HB      ARG  14  11.369  14.157   4.489
   97    HB3  ARG  14           1HB      ARG  14  10.311  14.508   3.122
   98    HG2  ARG  14           2HG      ARG  14  11.295  16.596   3.635
   99    HG3  ARG  14           1HG      ARG  14   9.701  16.676   4.385
  100    HD2  ARG  14           2HD      ARG  14  11.222  15.527   6.377
  101    HD3  ARG  14           1HD      ARG  14  12.362  16.646   5.637
  102    HE   ARG  14           HE       ARG  14   9.939  18.012   6.016
  103   HH11  ARG  14          1HH2      ARG  14  12.464  16.496   7.834
  104   HH12  ARG  14          2HH2      ARG  14  12.288  17.538   9.205
  105   HH21  ARG  14          1HH1      ARG  14   9.704  19.381   7.813
  106   HH22  ARG  14          2HH1      ARG  14  10.727  19.171   9.195
  107    H    GLY  15           H        GLY  15   8.007  16.058   3.832
  108    HA2  GLY  15           2HA      GLY  15   5.565  14.838   3.220
  109    HA3  GLY  15           1HA      GLY  15   6.218  16.251   2.399
  110    H    SER  16           H        SER  16   6.086  12.736   2.401
  111    HA   SER  16           HA       SER  16   7.267  12.672  -0.296
  112    HB2  SER  16           2HB      SER  16   6.548  10.218   1.265
  113    HB3  SER  16           1HB      SER  16   7.829  10.449   0.080
  114    HG   SER  16           HG       SER  16   8.089  10.546   2.643
  115    H    GLN  17           H        GLN  17   4.361  13.272   0.822
  116    HA   GLN  17           HA       GLN  17   2.493  11.464   0.033
  117    HB2  GLN  17           2HB      GLN  17   2.172  13.884   0.867
  118    HB3  GLN  17           1HB      GLN  17   2.239  14.335  -0.837
  119    HG2  GLN  17           2HG      GLN  17  -0.058  13.998  -0.471
  120    HG3  GLN  17           1HG      GLN  17   0.463  12.467  -1.171
  121   HE21  GLN  17          1HE2      GLN  17  -0.702  10.863  -0.087
  122   HE22  GLN  17          2HE2      GLN  17  -0.860  10.763   1.601
  123    H    GLU  18           H        GLU  18   4.604  13.336  -2.046
  124    HA   GLU  18           HA       GLU  18   3.282  12.917  -4.501
  125    HB2  GLU  18           2HB      GLU  18   6.042  13.649  -3.662
  126    HB3  GLU  18           1HB      GLU  18   5.824  13.068  -5.313
  127    HG2  GLU  18           2HG      GLU  18   3.983  15.167  -4.193
  128    HG3  GLU  18           1HG      GLU  18   5.559  15.623  -4.837
  129    H    ILE  19           H        ILE  19   6.307  11.306  -3.504
  130    HA   ILE  19           HA       ILE  19   6.173   9.213  -5.334
  131    HB   ILE  19           HB       ILE  19   7.397   9.309  -2.569
  132   HG12  ILE  19          2HG1      ILE  19   9.179   9.160  -4.856
  133   HG13  ILE  19          1HG1      ILE  19   8.085  10.537  -5.003
  134   HG21  ILE  19          1HG2      ILE  19   7.349   7.174  -4.677
  135   HG22  ILE  19          2HG2      ILE  19   7.262   7.011  -2.924
  136   HG23  ILE  19          3HG2      ILE  19   8.801   7.384  -3.698
  137   HD11  ILE  19          3HD1      ILE  19  10.204  11.060  -3.750
  138   HD12  ILE  19          1HD1      ILE  19   9.688   9.919  -2.508
  139   HD13  ILE  19          2HD1      ILE  19   8.735  11.367  -2.824
  140    H    GLU  20           H        GLU  20   4.700   9.574  -2.164
  141    HA   GLU  20           HA       GLU  20   3.810   6.913  -1.833
  142    HB2  GLU  20           2HB      GLU  20   3.528   9.430  -0.492
  143    HB3  GLU  20           1HB      GLU  20   1.942   8.673  -0.636
  144    HG2  GLU  20           2HG      GLU  20   4.413   7.259   0.400
  145    HG3  GLU  20           1HG      GLU  20   3.188   7.994   1.430
  146    H    ALA  21           H        ALA  21   2.252   9.786  -3.221
  147    HA   ALA  21           HA       ALA  21  -0.252   8.685  -3.765
  148    HB1  ALA  21           1HB      ALA  21  -0.197  10.377  -5.738
  149    HB2  ALA  21           2HB      ALA  21   1.354  10.870  -5.056
  150    HB3  ALA  21           3HB      ALA  21  -0.116  10.995  -4.088
  151    H    LYS  22           H        LYS  22   2.500   8.997  -6.024
  152    HA   LYS  22           HA       LYS  22   1.354   7.506  -8.106
  153    HB2  LYS  22           2HB      LYS  22   3.460   8.987  -8.144
  154    HB3  LYS  22           1HB      LYS  22   4.312   7.564  -7.547
  155    HG2  LYS  22           2HG      LYS  22   4.539   7.277  -9.845
  156    HG3  LYS  22           1HG      LYS  22   3.075   6.347  -9.528
  157    HD2  LYS  22           2HD      LYS  22   1.990   8.807  -9.932
  158    HD3  LYS  22           1HD      LYS  22   3.406   8.912 -10.979
  159    HE2  LYS  22           2HE      LYS  22   1.106   6.977 -11.111
  160    HE3  LYS  22           1HE      LYS  22   1.783   7.977 -12.395
  161    HZ1  LYS  22           3HZ      LYS  22   2.976   5.564 -11.159
  162    HZ2  LYS  22           1HZ      LYS  22   3.858   6.621 -12.150
  163    HZ3  LYS  22           2HZ      LYS  22   2.518   5.786 -12.780
  164    H    GLU  23           H        GLU  23   3.381   6.493  -5.385
  165    HA   GLU  23           HA       GLU  23   3.693   3.798  -6.182
  166    HB2  GLU  23           2HB      GLU  23   3.777   5.149  -3.479
  167    HB3  GLU  23           1HB      GLU  23   4.069   3.421  -3.684
  168    HG2  GLU  23           2HG      GLU  23   5.564   5.400  -5.381
  169    HG3  GLU  23           1HG      GLU  23   6.103   5.071  -3.734
  170    H    ALA  24           H        ALA  24   1.440   5.344  -3.927
  171    HA   ALA  24           HA       ALA  24  -0.087   3.257  -3.118
  172    HB1  ALA  24           1HB      ALA  24  -0.634   6.124  -3.675
  173    HB2  ALA  24           2HB      ALA  24  -0.794   5.222  -2.168
  174    HB3  ALA  24           3HB      ALA  24  -2.028   5.075  -3.418
  175    H    CYS  25           H        CYS  25  -0.558   5.105  -6.133
  176    HA   CYS  25           HA       CYS  25  -2.681   3.359  -7.019
  177    HB2  CYS  25           2HB      CYS  25  -3.137   5.108  -8.332
  178    HB3  CYS  25           1HB      CYS  25  -1.703   5.926  -7.713
  179    HG   CYS  25           HG       CYS  25  -1.949   4.852 -10.483
  180    H    ASP  26           H        ASP  26   0.722   3.876  -7.908
  181    HA   ASP  26           HA       ASP  26   0.746   1.975 -10.027
  182    HB2  ASP  26           2HB      ASP  26   2.426   3.852  -9.590
  183    HB3  ASP  26           1HB      ASP  26   3.142   2.787  -8.383
  184    H    TRP  27           H        TRP  27   0.807   1.679  -6.613
  185    HA   TRP  27           HA       TRP  27   2.053  -0.955  -6.625
  186    HB2  TRP  27           2HB      TRP  27   2.544   0.437  -4.721
  187    HB3  TRP  27           1HB      TRP  27   0.828   0.727  -4.427
  188    HD1  TRP  27           HD       TRP  27   3.533  -1.926  -4.049
  189    HE1  TRP  27           1HE      TRP  27   2.651  -3.803  -2.520
  190    HE3  TRP  27           3HE      TRP  27  -1.341  -0.480  -3.604
  191    HZ2  TRP  27           2HZ      TRP  27   0.198  -4.589  -1.273
  192    HZ3  TRP  27           3HZ      TRP  27  -2.929  -1.809  -2.244
  193    HH2  TRP  27           HH       TRP  27  -2.166  -3.857  -1.077
  194    H    LEU  28           H        LEU  28  -1.137   0.506  -6.315
  195    HA   LEU  28           HA       LEU  28  -2.651  -1.661  -5.474
  196    HB2  LEU  28           2HB      LEU  28  -3.188   0.716  -7.206
  197    HB3  LEU  28           1HB      LEU  28  -4.408  -0.555  -7.126
  198    HG   LEU  28           HG       LEU  28  -3.202   0.515  -4.589
  199   HD11  LEU  28          1HD1      LEU  28  -5.017   1.933  -6.454
  200   HD12  LEU  28          2HD1      LEU  28  -3.948   2.580  -5.209
  201   HD13  LEU  28          3HD1      LEU  28  -5.519   1.917  -4.765
  202   HD21  LEU  28          3HD2      LEU  28  -4.959  -0.555  -3.582
  203   HD22  LEU  28          1HD2      LEU  28  -4.947  -1.509  -5.065
  204   HD23  LEU  28          2HD2      LEU  28  -6.077  -0.166  -4.888
  205    H    ARG  29           H        ARG  29  -2.220  -0.654  -8.871
  206    HA   ARG  29           HA       ARG  29  -3.299  -2.920 -10.071
  207    HB2  ARG  29           2HB      ARG  29  -1.830  -2.298 -12.034
  208    HB3  ARG  29           1HB      ARG  29  -2.834  -0.989 -11.413
  209    HG2  ARG  29           2HG      ARG  29  -0.929  -0.137 -10.103
  210    HG3  ARG  29           1HG      ARG  29   0.081  -1.447 -10.714
  211    HD2  ARG  29           2HD      ARG  29   0.625  -0.049 -12.401
  212    HD3  ARG  29           1HD      ARG  29  -0.992  -0.350 -13.025
  213    HE   ARG  29           HE       ARG  29  -0.083   2.044 -11.627
  214   HH11  ARG  29          1HH2      ARG  29  -2.705   0.128 -12.822
  215   HH12  ARG  29          2HH2      ARG  29  -3.833   1.441 -12.846
  216   HH21  ARG  29          1HH1      ARG  29  -1.557   3.769 -11.656
  217   HH22  ARG  29          2HH1      ARG  29  -3.184   3.502 -12.186
  218    H    ALA  30           H        ALA  30  -0.084  -2.365  -8.766
  219    HA   ALA  30           HA       ALA  30   1.031  -4.799  -9.830
  220    HB1  ALA  30           1HB      ALA  30   2.013  -2.472  -8.526
  221    HB2  ALA  30           2HB      ALA  30   2.941  -3.786  -9.249
  222    HB3  ALA  30           3HB      ALA  30   2.482  -3.863  -7.548
  223    H    ALA  31           H        ALA  31  -0.977  -3.996  -7.203
  224    HA   ALA  31           HA       ALA  31  -0.169  -6.254  -5.547
  225    HB1  ALA  31           1HB      ALA  31  -2.603  -5.192  -4.611
  226    HB2  ALA  31           2HB      ALA  31  -1.658  -3.813  -5.171
  227    HB3  ALA  31           3HB      ALA  31  -0.991  -4.906  -3.958
  228    H    GLY  32           H        GLY  32  -2.247  -5.662  -8.160
  229    HA2  GLY  32           2HA      GLY  32  -3.267  -7.570  -9.261
  230    HA3  GLY  32           1HA      GLY  32  -3.642  -8.223  -7.670
  231    H    PHE  33           H        PHE  33  -4.074  -4.842  -8.042
  232    HA   PHE  33           HA       PHE  33  -6.921  -5.124  -8.692
  233    HB2  PHE  33           2HB      PHE  33  -6.144  -3.428  -6.342
  234    HB3  PHE  33           1HB      PHE  33  -7.710  -4.134  -6.741
  235    HD1  PHE  33           2HD      PHE  33  -7.742  -6.782  -6.872
  236    HD2  PHE  33           1HD      PHE  33  -4.830  -4.470  -4.719
  237    HE1  PHE  33           2HE      PHE  33  -7.212  -8.755  -5.468
  238    HE2  PHE  33           1HE      PHE  33  -4.301  -6.443  -3.317
  239    HZ   PHE  33           HZ       PHE  33  -5.493  -8.586  -3.690
  240    HA   PRO  34           HA       PRO  34  -4.991  -1.389 -10.591
  241    HB2  PRO  34           2HB      PRO  34  -5.656  -1.906 -13.171
  242    HB3  PRO  34           1HB      PRO  34  -4.221  -2.602 -12.395
  243    HG2  PRO  34           2HG      PRO  34  -6.820  -3.860 -13.035
  244    HG3  PRO  34           1HG      PRO  34  -5.198  -4.569 -12.983
  245    HD2  PRO  34           2HD      PRO  34  -7.159  -4.791 -10.978
  246    HD3  PRO  34           1HD      PRO  34  -5.436  -5.180 -10.795
  247    H    GLN  35           H        GLN  35  -8.153  -2.682 -10.445
  248    HA   GLN  35           HA       GLN  35  -9.516  -0.619 -11.884
  249    HB2  GLN  35           2HB      GLN  35 -11.541  -1.567 -11.030
  250    HB3  GLN  35           1HB      GLN  35 -10.459  -2.905 -11.401
  251    HG2  GLN  35           2HG      GLN  35 -11.018  -1.725  -8.662
  252    HG3  GLN  35           1HG      GLN  35 -11.473  -3.323  -9.242
  253   HE21  GLN  35          1HE2      GLN  35  -8.846  -1.432  -7.906
  254   HE22  GLN  35          2HE2      GLN  35  -7.721  -2.701  -7.830
  255    H    TYR  36           H        TYR  36  -7.832  -0.552  -9.013
  256    HA   TYR  36           HA       TYR  36  -9.588   1.326  -7.632
  257    HB2  TYR  36           2HB      TYR  36  -7.081  -0.136  -7.006
  258    HB3  TYR  36           1HB      TYR  36  -7.289   1.430  -6.229
  259    HD1  TYR  36           2HD      TYR  36  -9.818   1.831  -5.348
  260    HD2  TYR  36           1HD      TYR  36  -7.910  -1.983  -5.849
  261    HE1  TYR  36           2HE      TYR  36 -11.391   0.829  -3.717
  262    HE2  TYR  36           1HE      TYR  36  -9.484  -2.987  -4.220
  263    HH   TYR  36           HH       TYR  36 -10.982  -1.724  -2.098
  264    H    ALA  37           H        ALA  37  -6.113   1.522  -8.498
  265    HA   ALA  37           HA       ALA  37  -5.743   4.206  -8.325
  266    HB1  ALA  37           1HB      ALA  37  -4.687   2.344 -10.463
  267    HB2  ALA  37           2HB      ALA  37  -3.920   2.732  -8.923
  268    HB3  ALA  37           3HB      ALA  37  -4.071   3.969 -10.171
  269    H    GLN  38           H        GLN  38  -7.490   2.482 -10.822
  270    HA   GLN  38           HA       GLN  38  -7.672   4.377 -12.829
  271    HB2  GLN  38           2HB      GLN  38  -9.191   2.052 -11.974
  272    HB3  GLN  38           1HB      GLN  38 -10.236   3.294 -12.667
  273    HG2  GLN  38           2HG      GLN  38  -7.691   2.321 -13.989
  274    HG3  GLN  38           1HG      GLN  38  -9.289   1.673 -14.357
  275   HE21  GLN  38          1HE2      GLN  38 -10.906   3.902 -14.475
  276   HE22  GLN  38          2HE2      GLN  38 -10.350   4.983 -15.660
  277    H    LEU  39           H        LEU  39  -9.433   4.191  -9.780
  278    HA   LEU  39           HA       LEU  39 -11.302   6.241 -10.297
  279    HB2  LEU  39           2HB      LEU  39 -10.284   4.827  -7.888
  280    HB3  LEU  39           1HB      LEU  39 -11.065   6.376  -7.621
  281    HG   LEU  39           HG       LEU  39 -13.035   5.578  -8.924
  282   HD11  LEU  39          1HD1      LEU  39 -11.865   3.939 -10.333
  283   HD12  LEU  39          2HD1      LEU  39 -13.174   3.160  -9.446
  284   HD13  LEU  39          3HD1      LEU  39 -11.504   2.959  -8.912
  285   HD21  LEU  39          3HD2      LEU  39 -13.563   3.636  -7.210
  286   HD22  LEU  39          1HD2      LEU  39 -13.406   5.301  -6.647
  287   HD23  LEU  39          2HD2      LEU  39 -12.060   4.176  -6.460
  288    H    TYR  40           H        TYR  40  -7.962   6.303  -9.202
  289    HA   TYR  40           HA       TYR  40  -7.863   8.924  -8.192
  290    HB2  TYR  40           2HB      TYR  40  -6.021   7.256  -7.978
  291    HB3  TYR  40           1HB      TYR  40  -5.672   7.467  -9.691
  292    HD1  TYR  40           1HD      TYR  40  -6.251   9.588  -6.642
  293    HD2  TYR  40           2HD      TYR  40  -4.006   8.996 -10.258
  294    HE1  TYR  40           1HE      TYR  40  -4.874  11.580  -6.115
  295    HE2  TYR  40           2HE      TYR  40  -2.629  10.987  -9.728
  296    HH   TYR  40           HH       TYR  40  -2.270  12.275  -6.907
  297    H    GLU  41           H        GLU  41  -6.759   7.842 -11.411
  298    HA   GLU  41           HA       GLU  41  -6.348  10.278 -12.595
  299    HB2  GLU  41           2HB      GLU  41  -7.737   8.141 -14.172
  300    HB3  GLU  41           1HB      GLU  41  -6.386   9.175 -14.637
  301    HG2  GLU  41           2HG      GLU  41  -5.087   7.941 -12.750
  302    HG3  GLU  41           1HG      GLU  41  -6.366   6.733 -12.872
  303    H    ASP  42           H        ASP  42  -9.439   8.622 -12.099
  304    HA   ASP  42           HA       ASP  42 -10.958  10.526 -13.623
  305    HB2  ASP  42           2HB      ASP  42 -11.605   8.234 -11.802
  306    HB3  ASP  42           1HB      ASP  42 -12.873   9.373 -12.254
  307    H    SER  43           H        SER  43  -9.676  10.419 -10.446
  308    HA   SER  43           HA       SER  43  -9.631  12.098  -8.849
  309    HB2  SER  43           2HB      SER  43 -11.901  13.595 -10.071
  310    HB3  SER  43           1HB      SER  43 -10.427  14.198  -9.319
  311    HG   SER  43           HG       SER  43  -9.492  12.971 -11.306
  312    H    GLN  44           H        GLN  44 -10.930   9.776  -8.389
  313    HA   GLN  44           HA       GLN  44 -13.091  10.642  -6.613
  314    HB2  GLN  44           2HB      GLN  44 -14.312   8.448  -7.415
  315    HB3  GLN  44           1HB      GLN  44 -14.507   9.950  -8.316
  316    HG2  GLN  44           2HG      GLN  44 -12.808   9.280  -9.912
  317    HG3  GLN  44           1HG      GLN  44 -12.436   7.839  -8.967
  318   HE21  GLN  44          1HE2      GLN  44 -14.858   6.714  -8.397
  319   HE22  GLN  44          2HE2      GLN  44 -15.729   6.378  -9.815
  320    H    PHE  45           H        PHE  45 -10.746  10.146  -5.597
  321    HA   PHE  45           HA       PHE  45 -10.523   7.309  -4.919
  322    HB2  PHE  45           2HB      PHE  45  -8.670   9.436  -5.215
  323    HB3  PHE  45           1HB      PHE  45  -8.615   8.911  -3.532
  324    HD1  PHE  45           1HD      PHE  45  -8.999   7.319  -6.912
  325    HD2  PHE  45           2HD      PHE  45  -7.094   7.208  -3.062
  326    HE1  PHE  45           1HE      PHE  45  -7.727   5.303  -7.595
  327    HE2  PHE  45           2HE      PHE  45  -5.822   5.195  -3.750
  328    HZ   PHE  45           HZ       PHE  45  -6.143   4.237  -6.014
  329    HA   PRO  46           HA       PRO  46 -11.130   9.365  -0.617
  330    HB2  PRO  46           2HB      PRO  46 -12.873  11.657  -1.241
  331    HB3  PRO  46           1HB      PRO  46 -11.436  11.591  -0.206
  332    HG2  PRO  46           2HG      PRO  46 -11.479  12.835  -2.607
  333    HG3  PRO  46           1HG      PRO  46 -10.024  12.108  -1.910
  334    HD2  PRO  46           2HD      PRO  46 -11.765  11.095  -4.116
  335    HD3  PRO  46           1HD      PRO  46 -10.014  10.892  -3.871
  336    H    ILE  47           H        ILE  47 -12.464   7.814   0.005
  337    HA   ILE  47           HA       ILE  47 -15.325   8.129  -0.153
  338    HB   ILE  47           HB       ILE  47 -15.695   5.878  -1.207
  339   HG12  ILE  47          2HG1      ILE  47 -12.723   6.042  -1.398
  340   HG13  ILE  47          1HG1      ILE  47 -13.764   4.640  -1.202
  341   HG21  ILE  47          1HG2      ILE  47 -14.270   7.721  -3.133
  342   HG22  ILE  47          2HG2      ILE  47 -15.828   8.141  -2.419
  343   HG23  ILE  47          3HG2      ILE  47 -15.679   6.703  -3.423
  344   HD11  ILE  47          3HD1      ILE  47 -13.146   6.144  -3.755
  345   HD12  ILE  47          1HD1      ILE  47 -14.482   4.997  -3.630
  346   HD13  ILE  47          2HD1      ILE  47 -12.823   4.456  -3.388
  347    H    ASN  48           H        ASN  48 -16.323   5.934   0.735
  348    HA   ASN  48           HA       ASN  48 -15.352   5.639   3.371
  349    HB2  ASN  48           2HB      ASN  48 -16.953   3.615   3.342
  350    HB3  ASN  48           1HB      ASN  48 -17.642   5.216   3.071
  351   HD21  ASN  48          1HD2      ASN  48 -15.718   3.860   0.490
  352   HD22  ASN  48          2HD2      ASN  48 -17.014   3.463  -0.530
  353    H    ILE  49           H        ILE  49 -13.185   5.004   3.341
  354    HA   ILE  49           HA       ILE  49 -12.020   2.982   1.856
  355    HB   ILE  49           HB       ILE  49 -11.402   3.843   4.682
  356   HG12  ILE  49          2HG1      ILE  49 -10.094   4.555   2.034
  357   HG13  ILE  49          1HG1      ILE  49 -11.291   5.568   2.840
  358   HG21  ILE  49          1HG2      ILE  49  -9.074   2.896   3.899
  359   HG22  ILE  49          2HG2      ILE  49 -10.045   1.963   2.761
  360   HG23  ILE  49          3HG2      ILE  49 -10.300   1.779   4.496
  361   HD11  ILE  49          3HD1      ILE  49  -9.573   6.516   3.957
  362   HD12  ILE  49          1HD1      ILE  49  -8.449   5.283   3.390
  363   HD13  ILE  49          2HD1      ILE  49  -9.411   4.996   4.837
  364    H    VAL  50           H        VAL  50 -14.515   2.654   4.011
  365    HA   VAL  50           HA       VAL  50 -13.814  -0.004   4.985
  366    HB   VAL  50           HB       VAL  50 -16.434   1.480   5.262
  367   HG11  VAL  50          1HG1      VAL  50 -15.190  -0.833   6.784
  368   HG12  VAL  50          2HG1      VAL  50 -16.562  -0.942   5.681
  369   HG13  VAL  50          3HG1      VAL  50 -16.716  -0.050   7.196
  370   HG21  VAL  50          3HG2      VAL  50 -13.872   1.530   6.855
  371   HG22  VAL  50          1HG2      VAL  50 -15.421   1.866   7.628
  372   HG23  VAL  50          2HG2      VAL  50 -14.853   2.889   6.308
  373    H    ALA  51           H        ALA  51 -16.170   1.451   2.761
  374    HA   ALA  51           HA       ALA  51 -17.446  -0.977   2.048
  375    HB1  ALA  51           1HB      ALA  51 -18.586   0.267   0.427
  376    HB2  ALA  51           2HB      ALA  51 -17.239   1.383   0.198
  377    HB3  ALA  51           3HB      ALA  51 -18.213   1.466   1.665
  378    H    VAL  52           H        VAL  52 -15.025   0.954   0.260
  379    HA   VAL  52           HA       VAL  52 -14.672  -0.635  -1.938
  380    HB   VAL  52           HB       VAL  52 -12.141   0.100  -1.637
  381   HG11  VAL  52          1HG1      VAL  52 -13.692   0.976  -3.320
  382   HG12  VAL  52          2HG1      VAL  52 -12.800   2.299  -2.572
  383   HG13  VAL  52          3HG1      VAL  52 -14.468   1.985  -2.099
  384   HG21  VAL  52          3HG2      VAL  52 -13.365   2.297  -0.051
  385   HG22  VAL  52          1HG2      VAL  52 -11.713   1.685  -0.041
  386   HG23  VAL  52          2HG2      VAL  52 -12.979   0.821   0.828
  387    H    LYS  53           H        LYS  53 -12.410  -0.863   0.826
  388    HA   LYS  53           HA       LYS  53 -11.090  -3.135   0.151
  389    HB2  LYS  53           2HB      LYS  53 -10.410  -3.295   2.349
  390    HB3  LYS  53           1HB      LYS  53 -11.002  -1.636   2.315
  391    HG2  LYS  53           2HG      LYS  53 -13.281  -2.658   3.006
  392    HG3  LYS  53           1HG      LYS  53 -12.343  -4.085   3.449
  393    HD2  LYS  53           2HD      LYS  53 -11.832  -1.278   4.476
  394    HD3  LYS  53           1HD      LYS  53 -12.652  -2.553   5.377
  395    HE2  LYS  53           2HE      LYS  53 -10.422  -2.676   6.138
  396    HE3  LYS  53           1HE      LYS  53 -10.528  -3.961   4.932
  397    HZ1  LYS  53           3HZ      LYS  53  -9.012  -2.953   3.692
  398    HZ2  LYS  53           1HZ      LYS  53  -8.756  -1.852   4.955
  399    HZ3  LYS  53           2HZ      LYS  53  -9.862  -1.483   3.720
  400    H    ASN  54           H        ASN  54 -14.405  -2.886   1.158
  401    HA   ASN  54           HA       ASN  54 -14.665  -5.792   1.452
  402    HB2  ASN  54           2HB      ASN  54 -15.848  -3.742   2.802
  403    HB3  ASN  54           1HB      ASN  54 -17.077  -4.097   1.590
  404   HD21  ASN  54          1HD2      ASN  54 -17.053  -4.694   4.572
  405   HD22  ASN  54          2HD2      ASN  54 -17.320  -6.368   4.675
  406    H    ASP  55           H        ASP  55 -15.270  -3.230  -0.771
  407    HA   ASP  55           HA       ASP  55 -17.261  -4.499  -2.368
  408    HB2  ASP  55           2HB      ASP  55 -16.696  -2.039  -2.388
  409    HB3  ASP  55           1HB      ASP  55 -15.239  -2.454  -3.292
  410    H    HIS  56           H        HIS  56 -13.763  -4.034  -2.959
  411    HA   HIS  56           HA       HIS  56 -13.741  -5.865  -5.164
  412    HB2  HIS  56           2HB      HIS  56 -11.509  -5.297  -5.415
  413    HB3  HIS  56           1HB      HIS  56 -12.121  -3.873  -4.574
  414    HD2  HIS  56           2HD      HIS  56 -11.999  -4.714  -1.494
  415    HE1  HIS  56           1HE      HIS  56  -8.090  -6.130  -2.225
  416    HE2  HIS  56           2HE      HIS  56  -9.733  -5.439  -0.418
  417    H    ASP  57           H        ASP  57 -14.725  -6.889  -2.559
  418    HA   ASP  57           HA       ASP  57 -14.766  -8.979  -1.619
  419    HB2  ASP  57           2HB      ASP  57 -13.463  -9.525  -3.875
  420    HB3  ASP  57           1HB      ASP  57 -12.125  -9.714  -2.750
  421    H    PHE  58           H        PHE  58 -12.331 -10.356  -0.832
  422    HA   PHE  58           HA       PHE  58 -10.956  -8.477   0.935
  423    HB2  PHE  58           2HB      PHE  58 -13.114 -10.156   1.807
  424    HB3  PHE  58           1HB      PHE  58 -11.614 -10.678   2.571
  425    HD1  PHE  58           1HD      PHE  58 -10.324  -9.157   4.004
  426    HD2  PHE  58           2HD      PHE  58 -14.019  -7.929   2.193
  427    HE1  PHE  58           1HE      PHE  58 -10.412  -7.194   5.518
  428    HE2  PHE  58           2HE      PHE  58 -14.107  -5.965   3.710
  429    HZ   PHE  58           HZ       PHE  58 -12.303  -5.598   5.370
  430    H    LEU  59           H        LEU  59 -10.918 -11.103  -1.080
  431    HA   LEU  59           HA       LEU  59  -9.322 -13.055  -0.141
  432    HB2  LEU  59           2HB      LEU  59  -8.369 -13.288  -2.356
  433    HB3  LEU  59           1HB      LEU  59 -10.081 -12.880  -2.467
  434    HG   LEU  59           HG       LEU  59  -8.901 -10.395  -2.405
  435   HD11  LEU  59          1HD1      LEU  59  -6.980 -10.392  -3.805
  436   HD12  LEU  59          2HD1      LEU  59  -7.220 -12.075  -4.271
  437   HD13  LEU  59          3HD1      LEU  59  -6.686 -11.680  -2.639
  438   HD21  LEU  59          3HD2      LEU  59 -10.702 -11.154  -3.905
  439   HD22  LEU  59          1HD2      LEU  59  -9.542 -12.119  -4.817
  440   HD23  LEU  59          2HD2      LEU  59  -9.426 -10.359  -4.825
  441    H    GLU  60           H        GLU  60  -7.231 -13.395   0.450
  442    HA   GLU  60           HA       GLU  60  -5.158 -12.884   1.294
  443    HB2  GLU  60           2HB      GLU  60  -5.210 -10.848  -0.947
  444    HB3  GLU  60           1HB      GLU  60  -3.776 -11.354  -0.056
  445    HG2  GLU  60           2HG      GLU  60  -3.877 -13.559  -0.918
  446    HG3  GLU  60           1HG      GLU  60  -5.533 -13.353  -1.480
  447    H    LYS  61           H        LYS  61  -5.470 -12.087   3.307
  448    HA   LYS  61           HA       LYS  61  -6.562  -9.473   3.796
  449    HB2  LYS  61           2HB      LYS  61  -6.728 -11.506   5.335
  450    HB3  LYS  61           1HB      LYS  61  -5.055 -11.173   5.784
  451    HG2  LYS  61           2HG      LYS  61  -6.110  -9.898   7.387
  452    HG3  LYS  61           1HG      LYS  61  -6.037  -8.703   6.094
  453    HD2  LYS  61           2HD      LYS  61  -8.319  -9.526   5.346
  454    HD3  LYS  61           1HD      LYS  61  -8.385 -10.463   6.839
  455    HE2  LYS  61           2HE      LYS  61  -9.499  -8.400   7.312
  456    HE3  LYS  61           1HE      LYS  61  -7.914  -8.282   8.076
  457    HZ1  LYS  61           3HZ      LYS  61  -8.194  -7.353   5.315
  458    HZ2  LYS  61           1HZ      LYS  61  -7.182  -6.782   6.548
  459    HZ3  LYS  61           2HZ      LYS  61  -8.833  -6.378   6.552
  460    H    ASP  62           H        ASP  62  -3.357 -10.861   3.531
  461    HA   ASP  62           HA       ASP  62  -1.909  -8.724   4.714
  462    HB2  ASP  62           2HB      ASP  62  -0.348 -10.317   4.441
  463    HB3  ASP  62           1HB      ASP  62  -1.316 -11.151   3.227
  464    H    LEU  63           H        LEU  63  -3.617  -9.017   1.781
  465    HA   LEU  63           HA       LEU  63  -2.130  -6.821   0.514
  466    HB2  LEU  63           2HB      LEU  63  -3.798  -9.044  -0.438
  467    HB3  LEU  63           1HB      LEU  63  -4.121  -7.509  -1.242
  468    HG   LEU  63           HG       LEU  63  -1.313  -8.558  -0.850
  469   HD11  LEU  63          1HD1      LEU  63  -1.603  -9.133  -3.374
  470   HD12  LEU  63          2HD1      LEU  63  -3.327  -9.151  -3.007
  471   HD13  LEU  63          3HD1      LEU  63  -2.238 -10.262  -2.175
  472   HD21  LEU  63          3HD2      LEU  63  -0.690  -6.688  -1.961
  473   HD22  LEU  63          1HD2      LEU  63  -2.331  -6.100  -1.702
  474   HD23  LEU  63          2HD2      LEU  63  -1.921  -6.935  -3.200
  475    H    VAL  64           H        VAL  64  -5.145  -7.594   2.070
  476    HA   VAL  64           HA       VAL  64  -6.600  -5.300   1.156
  477    HB   VAL  64           HB       VAL  64  -7.019  -7.141   3.522
  478   HG11  VAL  64          1HG1      VAL  64  -8.165  -5.174   4.125
  479   HG12  VAL  64          2HG1      VAL  64  -9.401  -6.120   3.294
  480   HG13  VAL  64          3HG1      VAL  64  -8.588  -4.799   2.454
  481   HG21  VAL  64          3HG2      VAL  64  -8.304  -8.426   2.125
  482   HG22  VAL  64          1HG2      VAL  64  -7.261  -7.728   0.886
  483   HG23  VAL  64          2HG2      VAL  64  -8.855  -7.037   1.188
  484    H    GLU  65           H        GLU  65  -4.648  -6.068   4.003
  485    HA   GLU  65           HA       GLU  65  -5.181  -3.815   5.554
  486    HB2  GLU  65           2HB      GLU  65  -3.061  -5.835   5.408
  487    HB3  GLU  65           1HB      GLU  65  -2.509  -4.274   6.017
  488    HG2  GLU  65           2HG      GLU  65  -3.337  -5.750   7.838
  489    HG3  GLU  65           1HG      GLU  65  -4.268  -4.260   7.703
  490    HA   PRO  66           HA       PRO  66  -1.462  -1.505   3.474
  491    HB2  PRO  66           2HB      PRO  66  -0.787  -2.542   0.964
  492    HB3  PRO  66           1HB      PRO  66   0.136  -2.772   2.459
  493    HG2  PRO  66           2HG      PRO  66  -1.773  -4.591   1.112
  494    HG3  PRO  66           1HG      PRO  66  -0.307  -4.967   2.030
  495    HD2  PRO  66           2HD      PRO  66  -2.778  -5.334   3.064
  496    HD3  PRO  66           1HD      PRO  66  -1.398  -4.863   4.074
  497    H    LEU  67           H        LEU  67  -3.976  -3.036   1.538
  498    HA   LEU  67           HA       LEU  67  -4.272  -1.101  -0.470
  499    HB2  LEU  67           2HB      LEU  67  -5.409  -3.361  -0.360
  500    HB3  LEU  67           1HB      LEU  67  -6.538  -2.650   0.793
  501    HG   LEU  67           HG       LEU  67  -6.442  -0.802  -1.298
  502   HD11  LEU  67          1HD1      LEU  67  -6.770  -2.048  -3.323
  503   HD12  LEU  67          2HD1      LEU  67  -6.784  -3.580  -2.452
  504   HD13  LEU  67          3HD1      LEU  67  -5.285  -2.661  -2.595
  505   HD21  LEU  67          3HD2      LEU  67  -8.427  -1.434   0.003
  506   HD22  LEU  67          1HD2      LEU  67  -8.419  -3.036  -0.733
  507   HD23  LEU  67          2HD2      LEU  67  -8.757  -1.614  -1.721
  508    H    CYS  68           H        CYS  68  -5.647  -1.300   2.786
  509    HA   CYS  68           HA       CYS  68  -7.214   1.090   2.513
  510    HB2  CYS  68           2HB      CYS  68  -8.079  -0.274   4.169
  511    HB3  CYS  68           1HB      CYS  68  -6.486  -0.757   4.751
  512    HG   CYS  68           HG       CYS  68  -6.368   1.911   5.559
  513    H    ARG  69           H        ARG  69  -3.918   0.415   3.127
  514    HA   ARG  69           HA       ARG  69  -3.344   2.820   4.613
  515    HB2  ARG  69           2HB      ARG  69  -2.005   0.687   4.760
  516    HB3  ARG  69           1HB      ARG  69  -1.400   1.036   3.141
  517    HG2  ARG  69           2HG      ARG  69  -0.593   3.251   3.972
  518    HG3  ARG  69           1HG      ARG  69  -1.087   2.781   5.598
  519    HD2  ARG  69           2HD      ARG  69   0.974   1.888   5.814
  520    HD3  ARG  69           1HD      ARG  69   0.408   0.609   4.746
  521    HE   ARG  69           HE       ARG  69   2.148   2.845   4.021
  522   HH11  ARG  69          1HH2      ARG  69   0.177   0.172   3.043
  523   HH12  ARG  69          2HH2      ARG  69   0.912   0.027   1.483
  524   HH21  ARG  69          1HH1      ARG  69   3.113   2.659   1.977
  525   HH22  ARG  69          2HH1      ARG  69   2.574   1.432   0.879
  526    H    ARG  70           H        ARG  70  -3.072   1.741   1.254
  527    HA   ARG  70           HA       ARG  70  -1.805   4.178   0.378
  528    HB2  ARG  70           2HB      ARG  70  -3.155   2.026  -1.270
  529    HB3  ARG  70           1HB      ARG  70  -2.056   3.266  -1.867
  530    HG2  ARG  70           2HG      ARG  70  -1.359   1.078   0.110
  531    HG3  ARG  70           1HG      ARG  70  -0.858   1.143  -1.575
  532    HD2  ARG  70           2HD      ARG  70   0.077   3.523  -0.830
  533    HD3  ARG  70           1HD      ARG  70   0.093   2.756   0.753
  534    HE   ARG  70           HE       ARG  70   1.338   0.905  -0.743
  535   HH11  ARG  70          1HH2      ARG  70   1.660   4.345  -0.547
  536   HH12  ARG  70          2HH2      ARG  70   3.342   4.349  -0.960
  537   HH21  ARG  70          1HH1      ARG  70   3.543   0.903  -1.284
  538   HH22  ARG  70          2HH1      ARG  70   4.408   2.400  -1.376
  539    H    LEU  71           H        LEU  71  -5.065   2.764   0.003
  540    HA   LEU  71           HA       LEU  71  -6.235   4.768  -1.496
  541    HB2  LEU  71           2HB      LEU  71  -7.402   3.077   0.719
  542    HB3  LEU  71           1HB      LEU  71  -8.379   4.127  -0.303
  543    HG   LEU  71           HG       LEU  71  -6.553   1.940  -1.352
  544   HD11  LEU  71          1HD1      LEU  71  -8.692   0.734  -1.827
  545   HD12  LEU  71          2HD1      LEU  71  -9.552   1.973  -0.912
  546   HD13  LEU  71          3HD1      LEU  71  -8.381   0.933  -0.102
  547   HD21  LEU  71          3HD2      LEU  71  -8.182   4.066  -2.600
  548   HD22  LEU  71          1HD2      LEU  71  -8.465   2.458  -3.264
  549   HD23  LEU  71          2HD2      LEU  71  -6.840   3.139  -3.268
  550    H    ASN  72           H        ASN  72  -5.913   4.617   2.049
  551    HA   ASN  72           HA       ASN  72  -7.190   7.079   2.586
  552    HB2  ASN  72           2HB      ASN  72  -6.246   5.089   4.147
  553    HB3  ASN  72           1HB      ASN  72  -4.951   6.266   4.350
  554   HD21  ASN  72          1HD2      ASN  72  -7.533   5.319   5.998
  555   HD22  ASN  72          2HD2      ASN  72  -8.130   6.802   6.570
  556    H    THR  73           H        THR  73  -3.898   6.266   1.660
  557    HA   THR  73           HA       THR  73  -2.712   8.759   2.293
  558    HB   THR  73           HB       THR  73  -1.872   6.905   0.059
  559    HG1  THR  73           1HG      THR  73  -0.605   5.936   1.754
  560   HG21  THR  73          3HG2      THR  73  -0.612   8.938   0.053
  561   HG22  THR  73          1HG2      THR  73   0.401   7.723   0.830
  562   HG23  THR  73          2HG2      THR  73  -0.447   8.917   1.809
  563    H    LEU  74           H        LEU  74  -3.769   7.460  -0.864
  564    HA   LEU  74           HA       LEU  74  -3.457   9.882  -2.271
  565    HB2  LEU  74           2HB      LEU  74  -4.780   7.273  -2.750
  566    HB3  LEU  74           1HB      LEU  74  -5.370   8.627  -3.713
  567    HG   LEU  74           HG       LEU  74  -2.438   7.916  -3.445
  568   HD11  LEU  74          1HD1      LEU  74  -4.298   7.291  -5.753
  569   HD12  LEU  74          2HD1      LEU  74  -3.810   6.109  -4.539
  570   HD13  LEU  74          3HD1      LEU  74  -2.602   6.832  -5.601
  571   HD21  LEU  74          3HD2      LEU  74  -2.131   9.872  -4.516
  572   HD22  LEU  74          1HD2      LEU  74  -3.869  10.154  -4.556
  573   HD23  LEU  74          2HD2      LEU  74  -3.089   9.267  -5.865
  574    H    ASN  75           H        ASN  75  -6.354   8.375  -0.838
  575    HA   ASN  75           HA       ASN  75  -8.334  10.106  -1.532
  576    HB2  ASN  75           2HB      ASN  75  -7.795   8.873   1.174
  577    HB3  ASN  75           1HB      ASN  75  -9.289   9.718   0.778
  578   HD21  ASN  75          1HD2      ASN  75  -9.377   6.981   1.456
  579   HD22  ASN  75          2HD2      ASN  75  -9.766   6.080   0.074
  580    H    LYS  76           H        LYS  76  -5.626  10.748   0.554
  581    HA   LYS  76           HA       LYS  76  -6.731  13.268   1.513
  582    HB2  LYS  76           2HB      LYS  76  -4.710  11.449   2.380
  583    HB3  LYS  76           1HB      LYS  76  -3.947  13.014   2.100
  584    HG2  LYS  76           2HG      LYS  76  -4.746  12.965   4.385
  585    HG3  LYS  76           1HG      LYS  76  -5.770  14.073   3.473
  586    HD2  LYS  76           2HD      LYS  76  -7.531  12.873   4.227
  587    HD3  LYS  76           1HD      LYS  76  -7.002  11.589   3.140
  588    HE2  LYS  76           2HE      LYS  76  -7.173  10.595   5.311
  589    HE3  LYS  76           1HE      LYS  76  -5.451  10.813   5.002
  590    HZ1  LYS  76           3HZ      LYS  76  -7.208  12.550   6.643
  591    HZ2  LYS  76           1HZ      LYS  76  -5.615  12.948   6.223
  592    HZ3  LYS  76           2HZ      LYS  76  -5.921  11.585   7.189
  593    H    CYS  77           H        CYS  77  -4.387  12.086  -0.818
  594    HA   CYS  77           HA       CYS  77  -3.468  14.776  -1.459
  595    HB2  CYS  77           2HB      CYS  77  -1.877  12.887  -1.448
  596    HB3  CYS  77           1HB      CYS  77  -2.794  12.119  -2.742
  597    HG   CYS  77           HG       CYS  77  -0.979  13.472  -3.968
  598    H    ALA  78           H        ALA  78  -6.016  12.753  -2.341
  599    HA   ALA  78           HA       ALA  78  -6.225  13.442  -5.114
  600    HB1  ALA  78           1HB      ALA  78  -8.000  12.122  -3.095
  601    HB2  ALA  78           2HB      ALA  78  -7.390  11.497  -4.628
  602    HB3  ALA  78           3HB      ALA  78  -8.696  12.682  -4.617
  603    H    SER  79           H        SER  79  -6.597  15.254  -2.351
  604    HA   SER  79           HA       SER  79  -8.899  16.748  -2.648
  605    HB2  SER  79           2HB      SER  79  -6.190  17.294  -1.547
  606    HB3  SER  79           1HB      SER  79  -7.235  18.683  -1.839
  607    HG   SER  79           HG       SER  79  -8.574  16.619  -0.694
  608    H    MET  80           H        MET  80  -5.825  17.077  -4.367
  609    HA   MET  80           HA       MET  80  -7.199  18.646  -6.427
  610    HB2  MET  80           2HB      MET  80  -4.900  20.025  -6.390
  611    HB3  MET  80           1HB      MET  80  -6.309  20.515  -5.446
  612    HG2  MET  80           2HG      MET  80  -5.434  19.622  -3.449
  613    HG3  MET  80           1HG      MET  80  -4.274  18.607  -4.305
  614    HE1  MET  80           3HE      MET  80  -3.551  20.598  -1.790
  615    HE2  MET  80           1HE      MET  80  -1.922  20.939  -2.391
  616    HE3  MET  80           2HE      MET  80  -2.617  19.332  -2.583
  617    H    LYS  81           H        LYS  81  -3.727  18.399  -6.079
  618    HA   LYS  81           HA       LYS  81  -3.635  16.799  -8.540
  619    HB2  LYS  81           2HB      LYS  81  -2.036  18.916  -7.426
  620    HB3  LYS  81           1HB      LYS  81  -1.026  17.497  -7.713
  621    HG2  LYS  81           2HG      LYS  81  -1.810  17.365 -10.026
  622    HG3  LYS  81           1HG      LYS  81  -2.909  18.719  -9.753
  623    HD2  LYS  81           2HD      LYS  81  -0.982  20.183  -9.258
  624    HD3  LYS  81           1HD      LYS  81   0.116  18.831  -9.541
  625    HE2  LYS  81           2HE      LYS  81  -0.912  18.640 -11.863
  626    HE3  LYS  81           1HE      LYS  81  -1.700  20.186 -11.547
  627    HZ1  LYS  81           3HZ      LYS  81   0.263  20.785 -12.583
  628    HZ2  LYS  81           1HZ      LYS  81   1.178  19.593 -11.796
  629    HZ3  LYS  81           2HZ      LYS  81   0.652  20.962 -10.939
  Start of MODEL   13
    1    H1   MET   1           1HT      MET   1  -5.684  30.474  -2.564
    2    H2   MET   1           2HT      MET   1  -4.928  28.998  -2.937
    3    H3   MET   1           3HT      MET   1  -5.967  29.108  -1.596
    4    HA   MET   1           HA       MET   1  -7.594  28.385  -2.893
    5    HB2  MET   1           2HB      MET   1  -7.486  31.120  -3.111
    6    HB3  MET   1           1HB      MET   1  -7.485  30.625  -4.805
    7    HG2  MET   1           2HG      MET   1  -9.443  29.075  -4.172
    8    HG3  MET   1           1HG      MET   1  -9.544  30.014  -2.682
    9    HE1  MET   1           2HE      MET   1 -11.773  29.919  -3.526
   10    HE2  MET   1           3HE      MET   1 -12.503  30.906  -4.790
   11    HE3  MET   1           1HE      MET   1 -12.095  31.625  -3.226
   12    H    HIS   2           H        HIS   2  -7.234  26.639  -4.118
   13    HA   HIS   2           HA       HIS   2  -6.355  25.279  -5.768
   14    HB2  HIS   2           2HB      HIS   2  -8.215  26.527  -6.900
   15    HB3  HIS   2           1HB      HIS   2  -7.015  27.670  -7.500
   16    HD2  HIS   2           2HD      HIS   2  -7.150  23.672  -7.613
   17    HE1  HIS   2           1HE      HIS   2  -5.915  25.151 -11.369
   18    HE2  HIS   2           2HE      HIS   2  -6.407  23.047 -10.036
   19    H    HIS   3           H        HIS   3  -4.187  25.692  -4.710
   20    HA   HIS   3           HA       HIS   3  -2.393  27.323  -6.373
   21    HB2  HIS   3           2HB      HIS   3  -2.175  26.118  -3.627
   22    HB3  HIS   3           1HB      HIS   3  -0.736  26.643  -4.500
   23    HD2  HIS   3           2HD      HIS   3  -1.332  29.504  -5.587
   24    HE1  HIS   3           1HE      HIS   3  -3.270  30.421  -1.950
   25    HE2  HIS   3           2HE      HIS   3  -2.236  31.410  -4.048
   26    H    HIS   4           H        HIS   4  -0.557  26.457  -7.359
   27    HA   HIS   4           HA       HIS   4  -0.243  23.536  -7.335
   28    HB2  HIS   4           2HB      HIS   4  -0.325  23.329  -9.703
   29    HB3  HIS   4           1HB      HIS   4  -1.753  24.265  -9.256
   30    HD2  HIS   4           2HD      HIS   4   0.895  24.539 -11.851
   31    HE1  HIS   4           1HE      HIS   4   0.006  28.552 -10.891
   32    HE2  HIS   4           2HE      HIS   4   1.161  27.036 -12.570
   33    H    HIS   5           H        HIS   5   1.757  22.953  -8.724
   34    HA   HIS   5           HA       HIS   5   4.041  23.073  -8.937
   35    HB2  HIS   5           2HB      HIS   5   2.967  25.521  -9.942
   36    HB3  HIS   5           1HB      HIS   5   4.469  25.883  -9.095
   37    HD2  HIS   5           2HD      HIS   5   3.742  25.227 -12.582
   38    HE1  HIS   5           1HE      HIS   5   7.137  22.803 -11.934
   39    HE2  HIS   5           2HE      HIS   5   5.662  23.862 -13.709
   40    H    HIS   6           H        HIS   6   4.960  22.490  -7.049
   41    HA   HIS   6           HA       HIS   6   5.010  24.387  -4.813
   42    HB2  HIS   6           2HB      HIS   6   4.913  21.545  -5.035
   43    HB3  HIS   6           1HB      HIS   6   6.410  21.978  -4.211
   44    HD2  HIS   6           2HD      HIS   6   2.657  21.737  -3.427
   45    HE1  HIS   6           1HE      HIS   6   4.388  23.933  -0.266
   46    HE2  HIS   6           2HE      HIS   6   2.288  22.738  -1.045
   47    H    HIS   7           H        HIS   7   7.349  22.252  -6.471
   48    HA   HIS   7           HA       HIS   7   9.290  24.363  -6.689
   49    HB2  HIS   7           2HB      HIS   7   9.314  23.331  -4.232
   50    HB3  HIS   7           1HB      HIS   7  10.292  22.100  -5.030
   51    HD2  HIS   7           2HD      HIS   7  12.923  22.873  -5.486
   52    HE1  HIS   7           1HE      HIS   7  12.455  26.989  -4.675
   53    HE2  HIS   7           2HE      HIS   7  14.140  25.167  -5.214
   54    H    SER   8           H        SER   8  11.590  22.882  -6.965
   55    HA   SER   8           HA       SER   8  11.001  21.408  -9.420
   56    HB2  SER   8           2HB      SER   8  12.988  23.179  -8.773
   57    HB3  SER   8           1HB      SER   8  13.806  21.633  -8.555
   58    HG   SER   8           HG       SER   8  12.268  22.333 -10.838
   59    H    SER   9           H        SER   9  13.241  19.732  -9.473
   60    HA   SER   9           HA       SER   9  12.346  17.634  -7.630
   61    HB2  SER   9           2HB      SER   9  14.029  17.604 -10.136
   62    HB3  SER   9           1HB      SER   9  13.846  16.192  -9.097
   63    HG   SER   9           HG       SER   9  12.041  15.885 -10.115
   64    H    GLY  10           H        GLY  10  13.864  16.374  -6.428
   65    HA2  GLY  10           2HA      GLY  10  16.397  16.229  -5.988
   66    HA3  GLY  10           1HA      GLY  10  16.224  17.937  -5.598
   67    H    LEU  11           H        LEU  11  16.906  17.571  -3.445
   68    HA   LEU  11           HA       LEU  11  15.161  15.908  -1.764
   69    HB2  LEU  11           2HB      LEU  11  16.941  16.563  -0.002
   70    HB3  LEU  11           1HB      LEU  11  17.410  15.440  -1.278
   71    HG   LEU  11           HG       LEU  11  17.755  18.321  -1.901
   72   HD11  LEU  11          1HD1      LEU  11  18.586  18.460   0.323
   73   HD12  LEU  11          2HD1      LEU  11  20.016  18.212  -0.679
   74   HD13  LEU  11          3HD1      LEU  11  19.330  16.864   0.228
   75   HD21  LEU  11          3HD2      LEU  11  18.402  16.196  -3.270
   76   HD22  LEU  11          1HD2      LEU  11  19.764  16.086  -2.154
   77   HD23  LEU  11          2HD2      LEU  11  19.569  17.514  -3.170
   78    H    VAL  12           H        VAL  12  13.339  17.053  -1.334
   79    HA   VAL  12           HA       VAL  12  13.695  19.613   0.093
   80    HB   VAL  12           HB       VAL  12  11.575  19.041  -1.991
   81   HG11  VAL  12          1HG1      VAL  12  11.706  21.777  -1.355
   82   HG12  VAL  12          2HG1      VAL  12  11.761  20.939   0.195
   83   HG13  VAL  12          3HG1      VAL  12  10.421  20.652  -0.915
   84   HG21  VAL  12          3HG2      VAL  12  12.717  20.745  -3.312
   85   HG22  VAL  12          1HG2      VAL  12  13.872  19.481  -2.892
   86   HG23  VAL  12          2HG2      VAL  12  13.883  21.012  -2.018
   87    HA   PRO  13           HA       PRO  13  11.314  16.325   2.489
   88    HB2  PRO  13           2HB      PRO  13  12.571  18.018   4.611
   89    HB3  PRO  13           1HB      PRO  13  12.400  16.254   4.527
   90    HG2  PRO  13           2HG      PRO  13  14.727  17.466   4.037
   91    HG3  PRO  13           1HG      PRO  13  14.225  16.005   3.168
   92    HD2  PRO  13           2HD      PRO  13  14.356  18.815   2.196
   93    HD3  PRO  13           1HD      PRO  13  14.503  17.297   1.286
   94    H    ARG  14           H        ARG  14   9.292  17.172   1.915
   95    HA   ARG  14           HA       ARG  14   7.955  18.736   3.857
   96    HB2  ARG  14           2HB      ARG  14   9.105  20.640   2.940
   97    HB3  ARG  14           1HB      ARG  14   8.708  20.151   1.292
   98    HG2  ARG  14           2HG      ARG  14   6.571  20.942   1.432
   99    HG3  ARG  14           1HG      ARG  14   6.395  20.456   3.119
  100    HD2  ARG  14           2HD      ARG  14   7.679  22.367   3.867
  101    HD3  ARG  14           1HD      ARG  14   8.081  22.802   2.208
  102    HE   ARG  14           HE       ARG  14   5.383  22.880   2.169
  103   HH11  ARG  14          1HH2      ARG  14   7.757  24.135   4.351
  104   HH12  ARG  14          2HH2      ARG  14   6.803  25.500   4.825
  105   HH21  ARG  14          1HH1      ARG  14   4.124  24.668   2.787
  106   HH22  ARG  14          2HH1      ARG  14   4.745  25.802   3.939
  107    H    GLY  15           H        GLY  15   6.763  16.715   3.491
  108    HA2  GLY  15           2HA      GLY  15   4.714  15.838   2.828
  109    HA3  GLY  15           1HA      GLY  15   4.558  17.152   1.667
  110    H    SER  16           H        SER  16   5.858  13.953   2.234
  111    HA   SER  16           HA       SER  16   6.872  13.723  -0.491
  112    HB2  SER  16           2HB      SER  16   6.842  11.206   0.831
  113    HB3  SER  16           1HB      SER  16   8.230  12.225   0.467
  114    HG   SER  16           HG       SER  16   6.533  12.733   2.668
  115    H    GLN  17           H        GLN  17   3.907  13.917   0.486
  116    HA   GLN  17           HA       GLN  17   2.499  11.600  -0.017
  117    HB2  GLN  17           2HB      GLN  17   1.937  14.472  -0.113
  118    HB3  GLN  17           1HB      GLN  17   0.932  13.530  -1.215
  119    HG2  GLN  17           2HG      GLN  17   1.342  12.738   1.675
  120    HG3  GLN  17           1HG      GLN  17   0.034  13.802   1.163
  121   HE21  GLN  17          1HE2      GLN  17  -1.182  11.752   2.124
  122   HE22  GLN  17          2HE2      GLN  17  -1.571  10.547   0.994
  123    H    GLU  18           H        GLU  18   3.814  13.913  -2.358
  124    HA   GLU  18           HA       GLU  18   2.675  13.009  -4.703
  125    HB2  GLU  18           2HB      GLU  18   5.272  14.281  -4.003
  126    HB3  GLU  18           1HB      GLU  18   5.137  13.556  -5.606
  127    HG2  GLU  18           2HG      GLU  18   3.047  15.442  -4.505
  128    HG3  GLU  18           1HG      GLU  18   4.440  16.010  -5.423
  129    H    ILE  19           H        ILE  19   5.968  12.029  -3.726
  130    HA   ILE  19           HA       ILE  19   6.338   9.917  -5.416
  131    HB   ILE  19           HB       ILE  19   7.113   9.899  -2.489
  132   HG12  ILE  19          2HG1      ILE  19   9.289  10.745  -3.987
  133   HG13  ILE  19          1HG1      ILE  19   7.935  11.585  -4.744
  134   HG21  ILE  19          1HG2      ILE  19   9.050   8.579  -3.395
  135   HG22  ILE  19          2HG2      ILE  19   8.237   8.549  -4.959
  136   HG23  ILE  19          3HG2      ILE  19   7.498   7.759  -3.566
  137   HD11  ILE  19          3HD1      ILE  19   8.764  11.667  -1.836
  138   HD12  ILE  19          1HD1      ILE  19   7.204  12.264  -2.401
  139   HD13  ILE  19          2HD1      ILE  19   8.693  13.010  -2.977
  140    H    GLU  20           H        GLU  20   4.524   9.930  -2.386
  141    HA   GLU  20           HA       GLU  20   3.962   7.157  -2.298
  142    HB2  GLU  20           2HB      GLU  20   3.216   9.525  -0.836
  143    HB3  GLU  20           1HB      GLU  20   1.788   8.537  -1.145
  144    HG2  GLU  20           2HG      GLU  20   4.380   7.449  -0.015
  145    HG3  GLU  20           1HG      GLU  20   3.006   7.938   0.973
  146    H    ALA  21           H        ALA  21   2.167   9.923  -3.628
  147    HA   ALA  21           HA       ALA  21  -0.148   8.667  -4.443
  148    HB1  ALA  21           1HB      ALA  21   0.374  11.117  -4.654
  149    HB2  ALA  21           2HB      ALA  21  -0.398  10.417  -6.076
  150    HB3  ALA  21           3HB      ALA  21   1.337  10.729  -6.079
  151    H    LYS  22           H        LYS  22   2.856   8.998  -6.327
  152    HA   LYS  22           HA       LYS  22   2.005   7.514  -8.555
  153    HB2  LYS  22           2HB      LYS  22   4.867   7.473  -7.657
  154    HB3  LYS  22           1HB      LYS  22   4.217   7.584  -9.290
  155    HG2  LYS  22           2HG      LYS  22   4.174   9.760  -7.173
  156    HG3  LYS  22           1HG      LYS  22   5.132   9.748  -8.649
  157    HD2  LYS  22           2HD      LYS  22   2.100   9.837  -8.502
  158    HD3  LYS  22           1HD      LYS  22   3.161  11.167  -8.949
  159    HE2  LYS  22           2HE      LYS  22   4.056   9.427 -10.737
  160    HE3  LYS  22           1HE      LYS  22   2.464   8.708 -10.504
  161    HZ1  LYS  22           3HZ      LYS  22   2.536  10.388 -12.289
  162    HZ2  LYS  22           1HZ      LYS  22   2.930  11.568 -11.136
  163    HZ3  LYS  22           2HZ      LYS  22   1.431  10.773 -11.056
  164    H    GLU  23           H        GLU  23   3.511   6.495  -5.527
  165    HA   GLU  23           HA       GLU  23   3.853   3.766  -6.351
  166    HB2  GLU  23           2HB      GLU  23   3.907   5.113  -3.642
  167    HB3  GLU  23           1HB      GLU  23   4.206   3.389  -3.874
  168    HG2  GLU  23           2HG      GLU  23   6.025   3.981  -5.495
  169    HG3  GLU  23           1HG      GLU  23   5.782   5.677  -5.085
  170    H    ALA  24           H        ALA  24   1.711   5.275  -3.951
  171    HA   ALA  24           HA       ALA  24   0.064   3.214  -3.330
  172    HB1  ALA  24           1HB      ALA  24  -0.280   6.146  -3.542
  173    HB2  ALA  24           2HB      ALA  24  -0.593   5.071  -2.180
  174    HB3  ALA  24           3HB      ALA  24  -1.767   5.200  -3.490
  175    H    CYS  25           H        CYS  25  -0.063   5.203  -6.245
  176    HA   CYS  25           HA       CYS  25  -2.398   3.820  -7.264
  177    HB2  CYS  25           2HB      CYS  25  -2.503   5.471  -8.830
  178    HB3  CYS  25           1HB      CYS  25  -1.469   6.312  -7.675
  179    HG   CYS  25           HG       CYS  25  -0.422   4.888 -10.255
  180    H    ASP  26           H        ASP  26   1.082   3.889  -7.936
  181    HA   ASP  26           HA       ASP  26   0.885   2.033 -10.136
  182    HB2  ASP  26           2HB      ASP  26   2.683   3.715 -10.007
  183    HB3  ASP  26           1HB      ASP  26   3.304   2.931  -8.557
  184    H    TRP  27           H        TRP  27   0.781   1.706  -6.785
  185    HA   TRP  27           HA       TRP  27   2.033  -0.934  -6.748
  186    HB2  TRP  27           2HB      TRP  27   2.491   0.595  -4.885
  187    HB3  TRP  27           1HB      TRP  27   0.764   0.704  -4.539
  188    HD1  TRP  27           HD       TRP  27   3.726  -1.696  -4.330
  189    HE1  TRP  27           1HE      TRP  27   3.098  -3.652  -2.769
  190    HE3  TRP  27           3HE      TRP  27  -1.220  -0.678  -3.579
  191    HZ2  TRP  27           2HZ      TRP  27   0.802  -4.649  -1.387
  192    HZ3  TRP  27           3HZ      TRP  27  -2.605  -2.144  -2.141
  193    HH2  TRP  27           HH       TRP  27  -1.597  -4.126  -1.048
  194    H    LEU  28           H        LEU  28  -1.146   0.565  -6.149
  195    HA   LEU  28           HA       LEU  28  -2.597  -1.680  -5.441
  196    HB2  LEU  28           2HB      LEU  28  -3.409   0.712  -7.102
  197    HB3  LEU  28           1HB      LEU  28  -4.554  -0.513  -6.567
  198    HG   LEU  28           HG       LEU  28  -2.751   0.778  -4.544
  199   HD11  LEU  28          1HD1      LEU  28  -4.355   2.565  -4.192
  200   HD12  LEU  28          2HD1      LEU  28  -5.396   1.933  -5.466
  201   HD13  LEU  28          3HD1      LEU  28  -3.826   2.619  -5.871
  202   HD21  LEU  28          3HD2      LEU  28  -5.628   0.182  -4.085
  203   HD22  LEU  28          1HD2      LEU  28  -4.245  -0.077  -3.025
  204   HD23  LEU  28          2HD2      LEU  28  -4.575  -1.207  -4.335
  205    H    ARG  29           H        ARG  29  -1.310  -0.779  -8.549
  206    HA   ARG  29           HA       ARG  29  -2.884  -2.740 -10.000
  207    HB2  ARG  29           2HB      ARG  29  -0.507  -1.709 -11.358
  208    HB3  ARG  29           1HB      ARG  29  -2.200  -1.647 -11.848
  209    HG2  ARG  29           2HG      ARG  29  -2.498   0.191 -10.097
  210    HG3  ARG  29           1HG      ARG  29  -0.737   0.238  -9.992
  211    HD2  ARG  29           2HD      ARG  29  -0.607   0.685 -12.415
  212    HD3  ARG  29           1HD      ARG  29  -2.364   0.648 -12.516
  213    HE   ARG  29           HE       ARG  29  -1.347   2.557 -10.594
  214   HH11  ARG  29          1HH2      ARG  29  -2.183   1.919 -13.891
  215   HH12  ARG  29          2HH2      ARG  29  -2.464   3.583 -14.285
  216   HH21  ARG  29          1HH1      ARG  29  -1.711   4.739 -11.104
  217   HH22  ARG  29          2HH1      ARG  29  -2.195   5.179 -12.707
  218    H    ALA  30           H        ALA  30   0.269  -2.499  -8.517
  219    HA   ALA  30           HA       ALA  30   1.169  -5.005  -9.721
  220    HB1  ALA  30           1HB      ALA  30   2.512  -2.745  -8.933
  221    HB2  ALA  30           2HB      ALA  30   3.261  -4.319  -9.204
  222    HB3  ALA  30           3HB      ALA  30   2.796  -3.832  -7.574
  223    H    ALA  31           H        ALA  31  -0.741  -4.114  -7.160
  224    HA   ALA  31           HA       ALA  31   0.145  -6.336  -5.441
  225    HB1  ALA  31           1HB      ALA  31  -0.316  -3.898  -4.619
  226    HB2  ALA  31           2HB      ALA  31  -0.882  -5.260  -3.652
  227    HB3  ALA  31           3HB      ALA  31  -2.006  -4.388  -4.692
  228    H    GLY  32           H        GLY  32  -2.115  -5.615  -7.828
  229    HA2  GLY  32           2HA      GLY  32  -3.517  -7.392  -8.681
  230    HA3  GLY  32           1HA      GLY  32  -3.764  -7.933  -7.024
  231    H    PHE  33           H        PHE  33  -3.826  -4.546  -7.723
  232    HA   PHE  33           HA       PHE  33  -6.777  -4.523  -7.709
  233    HB2  PHE  33           2HB      PHE  33  -4.988  -2.817  -5.966
  234    HB3  PHE  33           1HB      PHE  33  -6.723  -2.645  -6.097
  235    HD1  PHE  33           2HD      PHE  33  -4.096  -5.187  -5.315
  236    HD2  PHE  33           1HD      PHE  33  -8.133  -3.871  -4.681
  237    HE1  PHE  33           2HE      PHE  33  -4.400  -6.952  -3.603
  238    HE2  PHE  33           1HE      PHE  33  -8.440  -5.636  -2.966
  239    HZ   PHE  33           HZ       PHE  33  -6.574  -7.177  -2.426
  240    HA   PRO  34           HA       PRO  34  -4.785  -1.653 -10.831
  241    HB2  PRO  34           2HB      PRO  34  -5.858  -2.773 -13.078
  242    HB3  PRO  34           1HB      PRO  34  -4.320  -3.299 -12.366
  243    HG2  PRO  34           2HG      PRO  34  -7.005  -4.552 -12.210
  244    HG3  PRO  34           1HG      PRO  34  -5.406  -5.307 -12.303
  245    HD2  PRO  34           2HD      PRO  34  -6.876  -5.054  -9.970
  246    HD3  PRO  34           1HD      PRO  34  -5.111  -5.251 -10.024
  247    H    GLN  35           H        GLN  35  -8.061  -3.000 -10.687
  248    HA   GLN  35           HA       GLN  35  -9.342  -0.897 -12.106
  249    HB2  GLN  35           2HB      GLN  35 -11.382  -1.875 -11.407
  250    HB3  GLN  35           1HB      GLN  35 -10.261  -3.228 -11.574
  251    HG2  GLN  35           2HG      GLN  35 -11.117  -3.693  -9.478
  252    HG3  GLN  35           1HG      GLN  35  -9.754  -2.668  -9.028
  253   HE21  GLN  35          1HE2      GLN  35 -10.241  -0.806  -7.836
  254   HE22  GLN  35          2HE2      GLN  35 -11.807  -0.184  -7.626
  255    H    TYR  36           H        TYR  36  -7.800  -0.864  -9.144
  256    HA   TYR  36           HA       TYR  36  -9.622   0.991  -7.836
  257    HB2  TYR  36           2HB      TYR  36  -7.147  -0.458  -7.094
  258    HB3  TYR  36           1HB      TYR  36  -7.431   1.087  -6.294
  259    HD1  TYR  36           1HD      TYR  36  -8.789  -2.304  -6.890
  260    HD2  TYR  36           2HD      TYR  36  -9.265   1.390  -4.749
  261    HE1  TYR  36           1HE      TYR  36 -10.424  -3.389  -5.376
  262    HE2  TYR  36           2HE      TYR  36 -10.898   0.305  -3.239
  263    HH   TYR  36           HH       TYR  36 -11.302  -2.250  -2.492
  264    H    ALA  37           H        ALA  37  -6.103   1.215  -8.592
  265    HA   ALA  37           HA       ALA  37  -5.658   3.848  -8.291
  266    HB1  ALA  37           1HB      ALA  37  -4.032   2.123  -9.151
  267    HB2  ALA  37           2HB      ALA  37  -3.928   3.696  -9.944
  268    HB3  ALA  37           3HB      ALA  37  -4.739   2.353 -10.751
  269    H    GLN  38           H        GLN  38  -7.284   2.355 -11.054
  270    HA   GLN  38           HA       GLN  38  -7.546   4.438 -12.810
  271    HB2  GLN  38           2HB      GLN  38  -9.077   2.042 -12.154
  272    HB3  GLN  38           1HB      GLN  38 -10.095   3.338 -12.785
  273    HG2  GLN  38           2HG      GLN  38  -7.525   2.433 -14.104
  274    HG3  GLN  38           1HG      GLN  38  -9.116   1.822 -14.553
  275   HE21  GLN  38          1HE2      GLN  38  -7.113   3.613 -16.052
  276   HE22  GLN  38          2HE2      GLN  38  -8.039   4.953 -16.525
  277    H    LEU  39           H        LEU  39  -9.438   3.840  -9.881
  278    HA   LEU  39           HA       LEU  39 -11.335   5.844 -10.053
  279    HB2  LEU  39           2HB      LEU  39  -9.839   4.811  -7.632
  280    HB3  LEU  39           1HB      LEU  39 -11.261   5.843  -7.534
  281    HG   LEU  39           HG       LEU  39 -11.181   3.171  -8.969
  282   HD11  LEU  39          1HD1      LEU  39 -12.730   2.582  -6.951
  283   HD12  LEU  39          2HD1      LEU  39 -11.945   3.952  -6.165
  284   HD13  LEU  39          3HD1      LEU  39 -10.983   2.577  -6.710
  285   HD21  LEU  39          3HD2      LEU  39 -13.178   5.334  -8.698
  286   HD22  LEU  39          1HD2      LEU  39 -13.796   3.723  -8.337
  287   HD23  LEU  39          2HD2      LEU  39 -13.061   4.054  -9.902
  288    H    TYR  40           H        TYR  40  -7.933   6.064  -9.152
  289    HA   TYR  40           HA       TYR  40  -7.920   8.683  -8.134
  290    HB2  TYR  40           2HB      TYR  40  -6.006   7.059  -8.028
  291    HB3  TYR  40           1HB      TYR  40  -5.709   7.377  -9.735
  292    HD1  TYR  40           2HD      TYR  40  -6.301   9.270  -6.546
  293    HD2  TYR  40           1HD      TYR  40  -4.179   9.056 -10.276
  294    HE1  TYR  40           2HE      TYR  40  -5.030  11.310  -5.940
  295    HE2  TYR  40           1HE      TYR  40  -2.907  11.095  -9.668
  296    HH   TYR  40           HH       TYR  40  -3.304  12.628  -6.488
  297    H    GLU  41           H        GLU  41  -6.888   7.640 -11.382
  298    HA   GLU  41           HA       GLU  41  -6.579  10.025 -12.636
  299    HB2  GLU  41           2HB      GLU  41  -7.985   7.607 -13.795
  300    HB3  GLU  41           1HB      GLU  41  -7.267   8.919 -14.727
  301    HG2  GLU  41           2HG      GLU  41  -5.120   8.222 -14.316
  302    HG3  GLU  41           1HG      GLU  41  -5.514   7.613 -12.710
  303    H    ASP  42           H        ASP  42  -9.690   8.382 -12.057
  304    HA   ASP  42           HA       ASP  42 -11.237  10.410 -13.368
  305    HB2  ASP  42           2HB      ASP  42 -11.685   7.830 -12.213
  306    HB3  ASP  42           1HB      ASP  42 -12.837   8.970 -11.516
  307    H    SER  43           H        SER  43  -9.896  10.015 -10.217
  308    HA   SER  43           HA       SER  43  -9.752  11.575  -8.509
  309    HB2  SER  43           2HB      SER  43 -11.976  13.247  -9.568
  310    HB3  SER  43           1HB      SER  43 -10.468  13.733  -8.800
  311    HG   SER  43           HG       SER  43  -9.426  12.959 -10.761
  312    H    GLN  44           H        GLN  44 -11.292   9.248  -8.403
  313    HA   GLN  44           HA       GLN  44 -13.528  10.092  -6.652
  314    HB2  GLN  44           2HB      GLN  44 -13.343   7.666  -8.457
  315    HB3  GLN  44           1HB      GLN  44 -14.623   7.936  -7.274
  316    HG2  GLN  44           2HG      GLN  44 -14.066  10.159  -9.174
  317    HG3  GLN  44           1HG      GLN  44 -14.843   8.723  -9.839
  318   HE21  GLN  44          1HE2      GLN  44 -16.674   7.886  -8.103
  319   HE22  GLN  44          2HE2      GLN  44 -17.733   9.118  -7.611
  320    H    PHE  45           H        PHE  45 -10.628   9.487  -6.204
  321    HA   PHE  45           HA       PHE  45 -10.352   6.989  -4.926
  322    HB2  PHE  45           2HB      PHE  45  -8.720   9.256  -5.451
  323    HB3  PHE  45           1HB      PHE  45  -8.607   8.896  -3.728
  324    HD1  PHE  45           1HD      PHE  45  -8.959   6.833  -6.846
  325    HD2  PHE  45           2HD      PHE  45  -6.780   7.544  -3.218
  326    HE1  PHE  45           1HE      PHE  45  -7.494   4.899  -7.350
  327    HE2  PHE  45           2HE      PHE  45  -5.306   5.617  -3.725
  328    HZ   PHE  45           HZ       PHE  45  -5.666   4.288  -5.787
  329    HA   PRO  46           HA       PRO  46 -11.053   9.160  -0.762
  330    HB2  PRO  46           2HB      PRO  46 -12.692  11.417  -0.869
  331    HB3  PRO  46           1HB      PRO  46 -10.936  11.432  -0.640
  332    HG2  PRO  46           2HG      PRO  46 -12.530  12.013  -3.049
  333    HG3  PRO  46           1HG      PRO  46 -10.938  12.616  -2.568
  334    HD2  PRO  46           2HD      PRO  46 -11.345  10.716  -4.515
  335    HD3  PRO  46           1HD      PRO  46  -9.830  10.894  -3.607
  336    H    ILE  47           H        ILE  47 -12.409   7.666  -0.091
  337    HA   ILE  47           HA       ILE  47 -15.247   7.988  -0.167
  338    HB   ILE  47           HB       ILE  47 -15.558   5.673  -1.320
  339   HG12  ILE  47          2HG1      ILE  47 -13.253   6.293  -3.041
  340   HG13  ILE  47          1HG1      ILE  47 -12.810   5.763  -1.418
  341   HG21  ILE  47          1HG2      ILE  47 -14.689   7.650  -3.377
  342   HG22  ILE  47          2HG2      ILE  47 -15.971   8.156  -2.278
  343   HG23  ILE  47          3HG2      ILE  47 -16.177   6.719  -3.271
  344   HD11  ILE  47          3HD1      ILE  47 -14.252   3.773  -1.684
  345   HD12  ILE  47          1HD1      ILE  47 -13.011   3.835  -2.936
  346   HD13  ILE  47          2HD1      ILE  47 -14.671   4.300  -3.314
  347    H    ASN  48           H        ASN  48 -16.245   5.747   0.620
  348    HA   ASN  48           HA       ASN  48 -15.243   5.269   3.188
  349    HB2  ASN  48           2HB      ASN  48 -17.307   4.114   1.449
  350    HB3  ASN  48           1HB      ASN  48 -16.623   2.972   2.603
  351   HD21  ASN  48          1HD2      ASN  48 -18.508   2.943   3.984
  352   HD22  ASN  48          2HD2      ASN  48 -18.966   4.292   4.905
  353    H    ILE  49           H        ILE  49 -13.033   4.793   3.135
  354    HA   ILE  49           HA       ILE  49 -11.796   2.871   1.511
  355    HB   ILE  49           HB       ILE  49 -11.088   3.820   4.292
  356   HG12  ILE  49          2HG1      ILE  49  -9.887   4.579   1.614
  357   HG13  ILE  49          1HG1      ILE  49 -11.184   5.499   2.375
  358   HG21  ILE  49          1HG2      ILE  49  -8.746   3.031   3.435
  359   HG22  ILE  49          2HG2      ILE  49  -9.679   2.027   2.325
  360   HG23  ILE  49          3HG2      ILE  49  -9.867   1.825   4.067
  361   HD11  ILE  49          3HD1      ILE  49  -9.708   5.697   4.424
  362   HD12  ILE  49          1HD1      ILE  49  -9.113   6.553   3.002
  363   HD13  ILE  49          2HD1      ILE  49  -8.403   5.005   3.461
  364    H    VAL  50           H        VAL  50 -14.070   2.478   3.857
  365    HA   VAL  50           HA       VAL  50 -13.176  -0.194   4.679
  366    HB   VAL  50           HB       VAL  50 -14.045   0.810   6.554
  367   HG11  VAL  50          1HG1      VAL  50 -14.695   2.905   5.565
  368   HG12  VAL  50          2HG1      VAL  50 -16.080   2.294   6.470
  369   HG13  VAL  50          3HG1      VAL  50 -16.040   2.145   4.714
  370   HG21  VAL  50          3HG2      VAL  50 -15.385  -1.287   5.863
  371   HG22  VAL  50          1HG2      VAL  50 -16.672  -0.161   5.422
  372   HG23  VAL  50          2HG2      VAL  50 -16.100  -0.240   7.087
  373    H    ALA  51           H        ALA  51 -15.948   1.348   3.098
  374    HA   ALA  51           HA       ALA  51 -17.431  -0.945   2.536
  375    HB1  ALA  51           1HB      ALA  51 -17.215   1.552   0.845
  376    HB2  ALA  51           2HB      ALA  51 -18.268   1.358   2.245
  377    HB3  ALA  51           3HB      ALA  51 -18.528   0.375   0.804
  378    H    VAL  52           H        VAL  52 -14.663   0.417   0.834
  379    HA   VAL  52           HA       VAL  52 -14.913  -1.095  -1.539
  380    HB   VAL  52           HB       VAL  52 -12.504  -0.619  -1.855
  381   HG11  VAL  52          1HG1      VAL  52 -12.797   1.951  -1.552
  382   HG12  VAL  52          2HG1      VAL  52 -14.429   1.536  -1.025
  383   HG13  VAL  52          3HG1      VAL  52 -13.887   1.099  -2.647
  384   HG21  VAL  52          3HG2      VAL  52 -12.776   0.244   1.015
  385   HG22  VAL  52          1HG2      VAL  52 -11.597   1.032  -0.032
  386   HG23  VAL  52          2HG2      VAL  52 -11.495  -0.702   0.257
  387    H    LYS  53           H        LYS  53 -12.868  -1.662   1.318
  388    HA   LYS  53           HA       LYS  53 -11.632  -3.994   0.667
  389    HB2  LYS  53           2HB      LYS  53 -12.932  -3.510   3.356
  390    HB3  LYS  53           1HB      LYS  53 -11.543  -4.542   3.019
  391    HG2  LYS  53           2HG      LYS  53 -10.234  -2.598   2.312
  392    HG3  LYS  53           1HG      LYS  53 -11.625  -1.551   2.572
  393    HD2  LYS  53           2HD      LYS  53 -11.639  -2.245   4.976
  394    HD3  LYS  53           1HD      LYS  53 -10.144  -3.131   4.683
  395    HE2  LYS  53           2HE      LYS  53 -10.590  -0.225   4.945
  396    HE3  LYS  53           1HE      LYS  53  -9.142  -1.175   5.272
  397    HZ1  LYS  53           3HZ      LYS  53  -8.603  -1.222   2.986
  398    HZ2  LYS  53           1HZ      LYS  53  -8.977   0.391   3.352
  399    HZ3  LYS  53           2HZ      LYS  53 -10.107  -0.577   2.534
  400    H    ASN  54           H        ASN  54 -15.018  -3.577   1.528
  401    HA   ASN  54           HA       ASN  54 -15.491  -6.460   1.436
  402    HB2  ASN  54           2HB      ASN  54 -17.586  -4.321   1.762
  403    HB3  ASN  54           1HB      ASN  54 -17.633  -5.996   2.310
  404   HD21  ASN  54          1HD2      ASN  54 -16.752  -2.779   3.218
  405   HD22  ASN  54          2HD2      ASN  54 -16.007  -3.172   4.693
  406    H    ASP  55           H        ASP  55 -15.672  -3.707  -0.612
  407    HA   ASP  55           HA       ASP  55 -17.727  -4.594  -2.372
  408    HB2  ASP  55           2HB      ASP  55 -16.837  -2.241  -2.194
  409    HB3  ASP  55           1HB      ASP  55 -15.408  -2.790  -3.071
  410    H    HIS  56           H        HIS  56 -14.236  -4.351  -3.081
  411    HA   HIS  56           HA       HIS  56 -14.527  -6.688  -4.863
  412    HB2  HIS  56           2HB      HIS  56 -12.103  -4.948  -4.901
  413    HB3  HIS  56           1HB      HIS  56 -12.892  -5.803  -6.225
  414    HD2  HIS  56           2HD      HIS  56 -15.271  -4.471  -7.231
  415    HE1  HIS  56           1HE      HIS  56 -14.378  -0.784  -5.378
  416    HE2  HIS  56           2HE      HIS  56 -15.853  -1.930  -7.097
  417    H    ASP  57           H        ASP  57 -11.865  -5.242  -2.974
  418    HA   ASP  57           HA       ASP  57 -10.279  -6.181  -1.614
  419    HB2  ASP  57           2HB      ASP  57 -11.323  -7.217   0.063
  420    HB3  ASP  57           1HB      ASP  57 -12.740  -7.460  -0.955
  421    H    PHE  58           H        PHE  58 -11.238  -7.485  -4.486
  422    HA   PHE  58           HA       PHE  58 -10.436  -9.149  -5.882
  423    HB2  PHE  58           2HB      PHE  58  -8.060  -7.798  -4.662
  424    HB3  PHE  58           1HB      PHE  58  -7.813  -9.165  -5.747
  425    HD1  PHE  58           2HD      PHE  58  -9.524  -5.854  -5.487
  426    HD2  PHE  58           1HD      PHE  58  -7.959  -8.897  -8.083
  427    HE1  PHE  58           2HE      PHE  58  -9.897  -4.377  -7.443
  428    HE2  PHE  58           1HE      PHE  58  -8.332  -7.419 -10.040
  429    HZ   PHE  58           HZ       PHE  58  -9.300  -5.159  -9.719
  430    H    LEU  59           H        LEU  59  -7.687  -9.745  -3.886
  431    HA   LEU  59           HA       LEU  59  -8.875 -12.102  -2.636
  432    HB2  LEU  59           2HB      LEU  59  -7.110 -12.180  -4.982
  433    HB3  LEU  59           1HB      LEU  59  -6.558 -13.183  -3.643
  434    HG   LEU  59           HG       LEU  59  -9.422 -13.250  -4.600
  435   HD11  LEU  59          1HD1      LEU  59  -6.991 -14.669  -5.669
  436   HD12  LEU  59          2HD1      LEU  59  -8.305 -13.901  -6.560
  437   HD13  LEU  59          3HD1      LEU  59  -8.577 -15.437  -5.738
  438   HD21  LEU  59          3HD2      LEU  59  -9.660 -14.929  -3.087
  439   HD22  LEU  59          1HD2      LEU  59  -8.166 -14.317  -2.380
  440   HD23  LEU  59          2HD2      LEU  59  -8.115 -15.657  -3.525
  441    H    GLU  60           H        GLU  60  -7.071 -13.287  -1.354
  442    HA   GLU  60           HA       GLU  60  -5.573 -13.203   0.386
  443    HB2  GLU  60           2HB      GLU  60  -4.345 -11.945  -1.785
  444    HB3  GLU  60           1HB      GLU  60  -4.087 -10.851  -0.429
  445    HG2  GLU  60           2HG      GLU  60  -3.228 -12.748   0.919
  446    HG3  GLU  60           1HG      GLU  60  -3.440 -13.812  -0.470
  447    H    LYS  61           H        LYS  61  -5.995 -12.497   2.371
  448    HA   LYS  61           HA       LYS  61  -7.478 -10.058   2.779
  449    HB2  LYS  61           2HB      LYS  61  -6.656 -12.383   4.410
  450    HB3  LYS  61           1HB      LYS  61  -6.816 -10.860   5.286
  451    HG2  LYS  61           2HG      LYS  61  -8.960 -11.779   3.374
  452    HG3  LYS  61           1HG      LYS  61  -8.930 -12.349   5.043
  453    HD2  LYS  61           2HD      LYS  61  -9.578 -10.333   5.877
  454    HD3  LYS  61           1HD      LYS  61  -8.585  -9.429   4.732
  455    HE2  LYS  61           2HE      LYS  61 -11.229 -10.770   4.095
  456    HE3  LYS  61           1HE      LYS  61 -10.983  -9.037   4.311
  457    HZ1  LYS  61           3HZ      LYS  61  -9.207  -9.354   2.491
  458    HZ2  LYS  61           1HZ      LYS  61 -10.841  -9.290   2.040
  459    HZ3  LYS  61           2HZ      LYS  61 -10.046 -10.789   2.137
  460    H    ASP  62           H        ASP  62  -4.165 -11.137   3.170
  461    HA   ASP  62           HA       ASP  62  -3.229  -9.001   4.771
  462    HB2  ASP  62           2HB      ASP  62  -1.949 -11.083   4.401
  463    HB3  ASP  62           1HB      ASP  62  -1.714 -10.628   2.714
  464    H    LEU  63           H        LEU  63  -4.445  -9.019   1.654
  465    HA   LEU  63           HA       LEU  63  -2.814  -6.781   0.712
  466    HB2  LEU  63           2HB      LEU  63  -4.811  -8.630  -0.520
  467    HB3  LEU  63           1HB      LEU  63  -4.542  -7.061  -1.271
  468    HG   LEU  63           HG       LEU  63  -2.302  -8.983  -0.573
  469   HD11  LEU  63          1HD1      LEU  63  -2.883 -10.203  -2.370
  470   HD12  LEU  63          2HD1      LEU  63  -2.622  -8.779  -3.377
  471   HD13  LEU  63          3HD1      LEU  63  -4.223  -9.113  -2.719
  472   HD21  LEU  63          3HD2      LEU  63  -1.636  -7.284  -2.728
  473   HD22  LEU  63          1HD2      LEU  63  -1.006  -7.207  -1.085
  474   HD23  LEU  63          2HD2      LEU  63  -2.414  -6.250  -1.533
  475    H    VAL  64           H        VAL  64  -5.638  -7.322   2.475
  476    HA   VAL  64           HA       VAL  64  -7.131  -5.026   1.569
  477    HB   VAL  64           HB       VAL  64  -7.414  -6.846   3.967
  478   HG11  VAL  64          1HG1      VAL  64  -8.970  -4.408   3.105
  479   HG12  VAL  64          2HG1      VAL  64  -8.348  -4.803   4.707
  480   HG13  VAL  64          3HG1      VAL  64  -9.727  -5.686   4.054
  481   HG21  VAL  64          3HG2      VAL  64  -7.978  -7.911   1.859
  482   HG22  VAL  64          1HG2      VAL  64  -8.930  -6.512   1.358
  483   HG23  VAL  64          2HG2      VAL  64  -9.481  -7.522   2.694
  484    H    GLU  65           H        GLU  65  -4.895  -5.770   4.189
  485    HA   GLU  65           HA       GLU  65  -5.266  -3.451   5.733
  486    HB2  GLU  65           2HB      GLU  65  -3.227  -5.557   5.499
  487    HB3  GLU  65           1HB      GLU  65  -2.598  -4.001   6.045
  488    HG2  GLU  65           2HG      GLU  65  -4.233  -3.916   7.840
  489    HG3  GLU  65           1HG      GLU  65  -5.006  -5.387   7.252
  490    HA   PRO  66           HA       PRO  66  -1.612  -1.391   3.288
  491    HB2  PRO  66           2HB      PRO  66  -1.181  -2.570   0.787
  492    HB3  PRO  66           1HB      PRO  66  -0.152  -2.775   2.217
  493    HG2  PRO  66           2HG      PRO  66  -2.255  -4.559   1.128
  494    HG3  PRO  66           1HG      PRO  66  -0.726  -4.967   1.923
  495    HD2  PRO  66           2HD      PRO  66  -3.086  -5.179   3.199
  496    HD3  PRO  66           1HD      PRO  66  -1.610  -4.690   4.054
  497    H    LEU  67           H        LEU  67  -4.211  -2.968   1.471
  498    HA   LEU  67           HA       LEU  67  -4.643  -1.087  -0.533
  499    HB2  LEU  67           2HB      LEU  67  -5.833  -3.198  -0.535
  500    HB3  LEU  67           1HB      LEU  67  -6.630  -2.802   0.983
  501    HG   LEU  67           HG       LEU  67  -7.856  -0.982  -0.082
  502   HD11  LEU  67          1HD1      LEU  67  -7.601  -0.910  -2.688
  503   HD12  LEU  67          2HD1      LEU  67  -6.031  -1.650  -2.385
  504   HD13  LEU  67          3HD1      LEU  67  -6.408  -0.072  -1.697
  505   HD21  LEU  67          3HD2      LEU  67  -9.394  -2.401  -0.951
  506   HD22  LEU  67          1HD2      LEU  67  -8.239  -3.676  -0.559
  507   HD23  LEU  67          2HD2      LEU  67  -8.278  -2.991  -2.184
  508    H    CYS  68           H        CYS  68  -5.603  -1.083   2.851
  509    HA   CYS  68           HA       CYS  68  -7.238   1.275   2.633
  510    HB2  CYS  68           2HB      CYS  68  -7.872   0.761   4.734
  511    HB3  CYS  68           1HB      CYS  68  -6.975  -0.738   4.493
  512    HG   CYS  68           HG       CYS  68  -5.300   1.635   5.536
  513    H    ARG  69           H        ARG  69  -3.858   0.665   3.031
  514    HA   ARG  69           HA       ARG  69  -3.256   3.177   4.320
  515    HB2  ARG  69           2HB      ARG  69  -1.647   0.940   3.157
  516    HB3  ARG  69           1HB      ARG  69  -0.871   2.497   3.432
  517    HG2  ARG  69           2HG      ARG  69  -1.405   2.448   5.771
  518    HG3  ARG  69           1HG      ARG  69  -2.471   1.058   5.560
  519    HD2  ARG  69           2HD      ARG  69   0.123   0.860   6.357
  520    HD3  ARG  69           1HD      ARG  69  -0.747  -0.424   5.521
  521    HE   ARG  69           HE       ARG  69   0.593   1.505   3.798
  522   HH11  ARG  69          1HH2      ARG  69   0.695  -1.511   5.490
  523   HH12  ARG  69          2HH2      ARG  69   1.934  -2.188   4.489
  524   HH21  ARG  69          1HH1      ARG  69   2.216   0.624   2.479
  525   HH22  ARG  69          2HH1      ARG  69   2.796  -0.980   2.783
  526    H    ARG  70           H        ARG  70  -2.527   1.880   1.066
  527    HA   ARG  70           HA       ARG  70  -1.571   4.223  -0.076
  528    HB2  ARG  70           2HB      ARG  70  -3.318   2.221  -1.524
  529    HB3  ARG  70           1HB      ARG  70  -2.076   3.253  -2.221
  530    HG2  ARG  70           2HG      ARG  70  -1.706   0.873  -0.403
  531    HG3  ARG  70           1HG      ARG  70  -1.075   1.102  -2.028
  532    HD2  ARG  70           2HD      ARG  70   0.216   3.109  -1.044
  533    HD3  ARG  70           1HD      ARG  70  -0.187   2.433   0.531
  534    HE   ARG  70           HE       ARG  70   0.945   0.427  -1.136
  535   HH11  ARG  70          1HH2      ARG  70   1.699   3.276   0.676
  536   HH12  ARG  70          2HH2      ARG  70   3.339   2.813   0.986
  537   HH21  ARG  70          1HH1      ARG  70   3.095  -0.187  -0.736
  538   HH22  ARG  70          2HH1      ARG  70   4.131   0.852   0.186
  539    H    LEU  71           H        LEU  71  -4.918   3.001  -0.364
  540    HA   LEU  71           HA       LEU  71  -6.033   5.240  -1.547
  541    HB2  LEU  71           2HB      LEU  71  -7.321   3.446   0.524
  542    HB3  LEU  71           1HB      LEU  71  -8.179   4.502  -0.599
  543    HG   LEU  71           HG       LEU  71  -6.329   2.239  -1.413
  544   HD11  LEU  71          1HD1      LEU  71  -8.503   1.203  -2.204
  545   HD12  LEU  71          2HD1      LEU  71  -9.347   2.451  -1.289
  546   HD13  LEU  71          3HD1      LEU  71  -8.320   1.288  -0.452
  547   HD21  LEU  71          3HD2      LEU  71  -7.761   4.394  -2.879
  548   HD22  LEU  71          1HD2      LEU  71  -7.839   2.784  -3.587
  549   HD23  LEU  71          2HD2      LEU  71  -6.278   3.537  -3.294
  550    H    ASN  72           H        ASN  72  -5.621   4.571   1.923
  551    HA   ASN  72           HA       ASN  72  -6.799   6.927   2.897
  552    HB2  ASN  72           2HB      ASN  72  -6.312   5.223   4.480
  553    HB3  ASN  72           1HB      ASN  72  -4.619   5.152   3.994
  554   HD21  ASN  72          1HD2      ASN  72  -3.671   5.778   6.009
  555   HD22  ASN  72          2HD2      ASN  72  -3.935   7.299   6.716
  556    H    THR  73           H        THR  73  -3.621   6.272   1.578
  557    HA   THR  73           HA       THR  73  -2.405   8.719   2.407
  558    HB   THR  73           HB       THR  73  -1.592   7.096  -0.002
  559    HG1  THR  73           1HG      THR  73  -1.327   5.502   1.311
  560   HG21  THR  73          3HG2      THR  73  -0.096   8.751   2.049
  561   HG22  THR  73          1HG2      THR  73  -0.364   9.168   0.357
  562   HG23  THR  73          2HG2      THR  73   0.670   7.802   0.778
  563    H    LEU  74           H        LEU  74  -3.435   7.638  -0.845
  564    HA   LEU  74           HA       LEU  74  -3.216  10.179  -2.035
  565    HB2  LEU  74           2HB      LEU  74  -4.502   7.596  -2.751
  566    HB3  LEU  74           1HB      LEU  74  -5.049   9.028  -3.621
  567    HG   LEU  74           HG       LEU  74  -2.138   8.249  -3.318
  568   HD11  LEU  74          1HD1      LEU  74  -3.335   6.539  -4.610
  569   HD12  LEU  74          2HD1      LEU  74  -2.305   7.495  -5.676
  570   HD13  LEU  74          3HD1      LEU  74  -4.044   7.789  -5.633
  571   HD21  LEU  74          3HD2      LEU  74  -3.511  10.596  -4.315
  572   HD22  LEU  74          1HD2      LEU  74  -2.629   9.815  -5.625
  573   HD23  LEU  74          2HD2      LEU  74  -1.779  10.314  -4.164
  574    H    ASN  75           H        ASN  75  -6.051   8.483  -0.693
  575    HA   ASN  75           HA       ASN  75  -8.059  10.260  -1.281
  576    HB2  ASN  75           2HB      ASN  75  -7.568   8.712   1.269
  577    HB3  ASN  75           1HB      ASN  75  -9.054   9.603   0.955
  578   HD21  ASN  75          1HD2      ASN  75  -8.746   6.657   1.230
  579   HD22  ASN  75          2HD2      ASN  75  -9.290   5.999  -0.232
  580    H    LYS  76           H        LYS  76  -5.320  10.746   0.736
  581    HA   LYS  76           HA       LYS  76  -6.462  13.101   2.047
  582    HB2  LYS  76           2HB      LYS  76  -4.556  11.200   2.791
  583    HB3  LYS  76           1HB      LYS  76  -3.625  12.665   2.484
  584    HG2  LYS  76           2HG      LYS  76  -5.148  13.939   3.955
  585    HG3  LYS  76           1HG      LYS  76  -6.058  12.465   4.284
  586    HD2  LYS  76           2HD      LYS  76  -3.111  12.868   4.893
  587    HD3  LYS  76           1HD      LYS  76  -4.411  12.958   6.081
  588    HE2  LYS  76           2HE      LYS  76  -3.805  10.748   6.360
  589    HE3  LYS  76           1HE      LYS  76  -4.996  10.551   5.076
  590    HZ1  LYS  76           3HZ      LYS  76  -3.243   9.443   4.176
  591    HZ2  LYS  76           1HZ      LYS  76  -2.076  10.404   4.947
  592    HZ3  LYS  76           2HZ      LYS  76  -2.903  11.001   3.587
  593    H    CYS  77           H        CYS  77  -4.312  12.218  -0.542
  594    HA   CYS  77           HA       CYS  77  -3.381  14.982  -0.862
  595    HB2  CYS  77           2HB      CYS  77  -1.691  13.245  -1.076
  596    HB3  CYS  77           1HB      CYS  77  -2.642  12.434  -2.319
  597    HG   CYS  77           HG       CYS  77  -1.649  13.965  -3.984
  598    H    ALA  78           H        ALA  78  -5.860  12.950  -1.946
  599    HA   ALA  78           HA       ALA  78  -6.134  14.208  -4.561
  600    HB1  ALA  78           1HB      ALA  78  -6.650  11.804  -4.273
  601    HB2  ALA  78           2HB      ALA  78  -8.051  12.716  -4.839
  602    HB3  ALA  78           3HB      ALA  78  -7.940  12.231  -3.147
  603    H    SER  79           H        SER  79  -7.276  14.608  -1.335
  604    HA   SER  79           HA       SER  79  -9.451  16.385  -2.236
  605    HB2  SER  79           2HB      SER  79  -9.116  14.578   0.010
  606    HB3  SER  79           1HB      SER  79  -9.540  16.201   0.550
  607    HG   SER  79           HG       SER  79 -11.008  15.672  -1.575
  608    H    MET  80           H        MET  80  -6.710  16.248   0.033
  609    HA   MET  80           HA       MET  80  -6.833  19.147   0.404
  610    HB2  MET  80           2HB      MET  80  -6.261  17.200   2.166
  611    HB3  MET  80           1HB      MET  80  -4.630  17.547   1.590
  612    HG2  MET  80           2HG      MET  80  -6.598  19.556   2.725
  613    HG3  MET  80           1HG      MET  80  -5.130  18.974   3.509
  614    HE1  MET  80           3HE      MET  80  -4.414  21.512   3.866
  615    HE2  MET  80           1HE      MET  80  -5.941  21.948   3.087
  616    HE3  MET  80           2HE      MET  80  -4.437  22.711   2.577
  617    H    LYS  81           H        LYS  81  -6.048  20.192  -1.351
  618    HA   LYS  81           HA       LYS  81  -4.634  20.747  -3.098
  619    HB2  LYS  81           2HB      LYS  81  -3.518  21.450  -0.838
  620    HB3  LYS  81           1HB      LYS  81  -2.377  20.158  -1.211
  621    HG2  LYS  81           2HG      LYS  81  -1.938  21.187  -3.417
  622    HG3  LYS  81           1HG      LYS  81  -3.061  22.490  -3.025
  623    HD2  LYS  81           2HD      LYS  81  -1.672  23.226  -1.187
  624    HD3  LYS  81           1HD      LYS  81  -0.619  21.822  -1.360
  625    HE2  LYS  81           2HE      LYS  81   0.496  22.713  -3.139
  626    HE3  LYS  81           1HE      LYS  81  -0.961  23.442  -3.812
  627    HZ1  LYS  81           3HZ      LYS  81   0.859  24.952  -2.826
  628    HZ2  LYS  81           1HZ      LYS  81   0.209  24.500  -1.326
  629    HZ3  LYS  81           2HZ      LYS  81  -0.767  25.288  -2.470
  Start of MODEL   14
    1    H1   MET   1           1HT      MET   1  15.410 -17.878  17.500
    2    H2   MET   1           2HT      MET   1  14.948 -18.398  15.949
    3    H3   MET   1           3HT      MET   1  14.793 -19.442  17.279
    4    HA   MET   1           HA       MET   1  12.637 -18.600  16.724
    5    HB2  MET   1           2HB      MET   1  13.874 -17.385  19.210
    6    HB3  MET   1           1HB      MET   1  12.139 -17.406  18.894
    7    HG2  MET   1           2HG      MET   1  12.035 -19.770  18.984
    8    HG3  MET   1           1HG      MET   1  13.782 -19.936  18.809
    9    HE1  MET   1           2HE      MET   1  15.449 -18.715  20.599
   10    HE2  MET   1           3HE      MET   1  15.233 -20.464  20.591
   11    HE3  MET   1           1HE      MET   1  15.298 -19.582  22.125
   12    H    HIS   2           H        HIS   2  14.887 -16.800  15.543
   13    HA   HIS   2           HA       HIS   2  13.893 -14.118  15.886
   14    HB2  HIS   2           2HB      HIS   2  16.281 -14.713  15.327
   15    HB3  HIS   2           1HB      HIS   2  15.723 -15.146  13.711
   16    HD2  HIS   2           2HD      HIS   2  16.473 -12.957  12.184
   17    HE1  HIS   2           1HE      HIS   2  15.005  -9.936  14.742
   18    HE2  HIS   2           2HE      HIS   2  16.082 -10.392  12.489
   19    H    HIS   3           H        HIS   3  11.908 -16.043  15.033
   20    HA   HIS   3           HA       HIS   3  11.352 -15.228  12.260
   21    HB2  HIS   3           2HB      HIS   3  11.208 -17.684  13.271
   22    HB3  HIS   3           1HB      HIS   3   9.597 -17.135  13.736
   23    HD2  HIS   3           2HD      HIS   3   8.588 -15.550  11.139
   24    HE1  HIS   3           1HE      HIS   3   9.877 -18.866   8.865
   25    HE2  HIS   3           2HE      HIS   3   8.427 -16.780   8.842
   26    H    HIS   4           H        HIS   4   9.755 -13.846  11.762
   27    HA   HIS   4           HA       HIS   4   7.743 -13.192  13.813
   28    HB2  HIS   4           2HB      HIS   4   9.409 -11.185  12.277
   29    HB3  HIS   4           1HB      HIS   4   8.007 -10.779  13.265
   30    HD2  HIS   4           2HD      HIS   4  11.752 -11.140  13.735
   31    HE1  HIS   4           1HE      HIS   4  10.087 -11.677  17.578
   32    HE2  HIS   4           2HE      HIS   4  12.245 -11.288  16.295
   33    H    HIS   5           H        HIS   5   6.021 -14.058  12.756
   34    HA   HIS   5           HA       HIS   5   5.637 -13.734   9.917
   35    HB2  HIS   5           2HB      HIS   5   4.064 -14.970  12.155
   36    HB3  HIS   5           1HB      HIS   5   3.300 -14.686  10.591
   37    HD2  HIS   5           2HD      HIS   5   6.301 -16.818  12.051
   38    HE1  HIS   5           1HE      HIS   5   5.351 -18.272   8.202
   39    HE2  HIS   5           2HE      HIS   5   6.778 -18.664  10.267
   40    H    HIS   6           H        HIS   6   3.653 -12.763   9.020
   41    HA   HIS   6           HA       HIS   6   3.390 -10.062   9.685
   42    HB2  HIS   6           2HB      HIS   6   2.606 -11.539   7.582
   43    HB3  HIS   6           1HB      HIS   6   1.058 -11.397   8.418
   44    HD2  HIS   6           2HD      HIS   6   2.423  -9.536   5.668
   45    HE1  HIS   6           1HE      HIS   6   1.164  -6.417   8.221
   46    HE2  HIS   6           2HE      HIS   6   1.876  -6.990   5.851
   47    H    HIS   7           H        HIS   7   2.545  -9.179  11.446
   48    HA   HIS   7           HA       HIS   7   0.293 -10.549  12.794
   49    HB2  HIS   7           2HB      HIS   7   2.742  -9.807  13.851
   50    HB3  HIS   7           1HB      HIS   7   1.671  -8.499  14.351
   51    HD2  HIS   7           2HD      HIS   7  -0.689  -9.452  15.831
   52    HE1  HIS   7           1HE      HIS   7   1.120 -13.125  16.860
   53    HE2  HIS   7           2HE      HIS   7  -0.832 -11.575  17.344
   54    H    SER   8           H        SER   8   1.654  -7.306  12.182
   55    HA   SER   8           HA       SER   8  -0.749  -6.213  11.201
   56    HB2  SER   8           2HB      SER   8  -1.909  -5.833  13.085
   57    HB3  SER   8           1HB      SER   8  -0.562  -6.362  14.087
   58    HG   SER   8           HG       SER   8  -1.418  -3.866  13.538
   59    H    SER   9           H        SER   9  -0.607  -3.878  10.875
   60    HA   SER   9           HA       SER   9   2.205  -2.966  10.820
   61    HB2  SER   9           2HB      SER   9   0.272  -1.529   9.143
   62    HB3  SER   9           1HB      SER   9   1.866  -2.161   8.739
   63    HG   SER   9           HG       SER   9   0.228  -4.205   9.213
   64    H    GLY  10           H        GLY  10   2.737  -0.961  11.604
   65    HA2  GLY  10           2HA      GLY  10   0.825   0.251  13.434
   66    HA3  GLY  10           1HA      GLY  10   2.528   0.667  13.272
   67    H    LEU  11           H        LEU  11   1.836   2.905  13.316
   68    HA   LEU  11           HA       LEU  11   1.478   3.965  10.664
   69    HB2  LEU  11           2HB      LEU  11  -0.846   3.562  12.315
   70    HB3  LEU  11           1HB      LEU  11  -0.581   5.288  12.069
   71    HG   LEU  11           HG       LEU  11  -0.597   3.239   9.836
   72   HD11  LEU  11          1HD1      LEU  11  -2.833   3.304  10.622
   73   HD12  LEU  11          2HD1      LEU  11  -2.802   4.460   9.290
   74   HD13  LEU  11          3HD1      LEU  11  -2.751   5.034  10.956
   75   HD21  LEU  11          3HD2      LEU  11   0.342   5.907   9.996
   76   HD22  LEU  11          1HD2      LEU  11  -1.176   5.969   9.102
   77   HD23  LEU  11          2HD2      LEU  11   0.136   4.933   8.542
   78    H    VAL  12           H        VAL  12   2.975   5.508  10.685
   79    HA   VAL  12           HA       VAL  12   3.014   7.400  12.945
   80    HB   VAL  12           HB       VAL  12   5.634   7.367  12.217
   81   HG11  VAL  12          1HG1      VAL  12   5.921   5.848  14.233
   82   HG12  VAL  12          2HG1      VAL  12   4.165   5.686  14.265
   83   HG13  VAL  12          3HG1      VAL  12   4.909   7.265  14.510
   84   HG21  VAL  12          3HG2      VAL  12   5.109   5.427  10.673
   85   HG22  VAL  12          1HG2      VAL  12   4.714   4.481  12.109
   86   HG23  VAL  12          2HG2      VAL  12   6.353   5.088  11.876
   87    HA   PRO  13           HA       PRO  13   2.891  10.834  10.191
   88    HB2  PRO  13           2HB      PRO  13   5.707  11.434  11.019
   89    HB3  PRO  13           1HB      PRO  13   4.306  12.518  10.926
   90    HG2  PRO  13           2HG      PRO  13   5.214  11.487  13.248
   91    HG3  PRO  13           1HG      PRO  13   3.515  11.892  12.963
   92    HD2  PRO  13           2HD      PRO  13   4.744   9.247  13.271
   93    HD3  PRO  13           1HD      PRO  13   3.027   9.698  13.316
   94    H    ARG  14           H        ARG  14   3.714  11.559   8.141
   95    HA   ARG  14           HA       ARG  14   6.062  10.441   6.953
   96    HB2  ARG  14           2HB      ARG  14   4.218   8.558   7.002
   97    HB3  ARG  14           1HB      ARG  14   3.570   9.452   5.625
   98    HG2  ARG  14           2HG      ARG  14   5.032   8.009   4.542
   99    HG3  ARG  14           1HG      ARG  14   6.088   9.397   4.813
  100    HD2  ARG  14           2HD      ARG  14   6.527   8.147   7.126
  101    HD3  ARG  14           1HD      ARG  14   6.058   6.738   6.177
  102    HE   ARG  14           HE       ARG  14   8.503   8.250   5.917
  103   HH11  ARG  14          1HH2      ARG  14   6.169   6.251   4.324
  104   HH12  ARG  14          2HH2      ARG  14   7.276   5.681   3.121
  105   HH21  ARG  14          1HH1      ARG  14   9.960   7.505   4.342
  106   HH22  ARG  14          2HH1      ARG  14   9.421   6.390   3.131
  107    H    GLY  15           H        GLY  15   6.708  12.140   5.802
  108    HA2  GLY  15           2HA      GLY  15   4.717  13.900   4.556
  109    HA3  GLY  15           1HA      GLY  15   6.422  14.269   4.795
  110    H    SER  16           H        SER  16   5.611  11.151   3.562
  111    HA   SER  16           HA       SER  16   6.802  11.878   0.979
  112    HB2  SER  16           2HB      SER  16   7.365   9.789   2.568
  113    HB3  SER  16           1HB      SER  16   6.082   9.062   1.605
  114    HG   SER  16           HG       SER  16   8.097   8.787   0.602
  115    H    GLN  17           H        GLN  17   3.875  12.188   2.065
  116    HA   GLN  17           HA       GLN  17   2.027  10.652   0.805
  117    HB2  GLN  17           2HB      GLN  17   1.859  12.979   2.102
  118    HB3  GLN  17           1HB      GLN  17   1.684  13.592   0.457
  119    HG2  GLN  17           2HG      GLN  17  -0.532  13.116   1.068
  120    HG3  GLN  17           1HG      GLN  17  -0.054  11.675   0.171
  121   HE21  GLN  17          1HE2      GLN  17  -1.645  10.390   1.406
  122   HE22  GLN  17          2HE2      GLN  17  -1.325   9.943   3.012
  123    H    GLU  18           H        GLU  18   4.370  12.711  -0.711
  124    HA   GLU  18           HA       GLU  18   3.079  12.891  -3.264
  125    HB2  GLU  18           2HB      GLU  18   5.947  13.315  -2.403
  126    HB3  GLU  18           1HB      GLU  18   5.357  13.618  -4.037
  127    HG2  GLU  18           2HG      GLU  18   5.318  15.705  -2.783
  128    HG3  GLU  18           1HG      GLU  18   3.661  15.187  -3.091
  129    H    ILE  19           H        ILE  19   6.158  11.271  -2.470
  130    HA   ILE  19           HA       ILE  19   6.177   9.601  -4.722
  131    HB   ILE  19           HB       ILE  19   7.527   9.484  -2.041
  132   HG12  ILE  19          2HG1      ILE  19   9.518   9.838  -3.425
  133   HG13  ILE  19          1HG1      ILE  19   8.549   9.685  -4.892
  134   HG21  ILE  19          1HG2      ILE  19   8.854   7.549  -3.175
  135   HG22  ILE  19          2HG2      ILE  19   7.411   7.357  -4.170
  136   HG23  ILE  19          3HG2      ILE  19   7.306   7.174  -2.419
  137   HD11  ILE  19          3HD1      ILE  19   9.058  12.074  -4.110
  138   HD12  ILE  19          1HD1      ILE  19   7.941  11.760  -2.783
  139   HD13  ILE  19          2HD1      ILE  19   7.367  11.702  -4.449
  140    H    GLU  20           H        GLU  20   4.624   9.271  -1.611
  141    HA   GLU  20           HA       GLU  20   4.036   6.491  -1.788
  142    HB2  GLU  20           2HB      GLU  20   3.096   8.779  -0.122
  143    HB3  GLU  20           1HB      GLU  20   2.084   7.337  -0.184
  144    HG2  GLU  20           2HG      GLU  20   5.049   7.217   0.387
  145    HG3  GLU  20           1HG      GLU  20   3.843   7.372   1.662
  146    H    ALA  21           H        ALA  21   2.430   9.419  -2.884
  147    HA   ALA  21           HA       ALA  21  -0.053   8.273  -3.575
  148    HB1  ALA  21           1HB      ALA  21   1.342  10.636  -4.842
  149    HB2  ALA  21           2HB      ALA  21   0.285  10.703  -3.433
  150    HB3  ALA  21           3HB      ALA  21  -0.368  10.237  -5.006
  151    H    LYS  22           H        LYS  22   2.604   9.207  -5.777
  152    HA   LYS  22           HA       LYS  22   1.657   8.014  -8.077
  153    HB2  LYS  22           2HB      LYS  22   4.000   9.284  -7.329
  154    HB3  LYS  22           1HB      LYS  22   4.540   7.663  -7.763
  155    HG2  LYS  22           2HG      LYS  22   4.590   8.904  -9.796
  156    HG3  LYS  22           1HG      LYS  22   3.130   7.921  -9.888
  157    HD2  LYS  22           2HD      LYS  22   2.260  10.218  -8.596
  158    HD3  LYS  22           1HD      LYS  22   3.409  10.835  -9.783
  159    HE2  LYS  22           2HE      LYS  22   1.311  10.757 -10.912
  160    HE3  LYS  22           1HE      LYS  22   2.212   9.358 -11.496
  161    HZ1  LYS  22           3HZ      LYS  22  -0.250   9.172 -10.596
  162    HZ2  LYS  22           1HZ      LYS  22   0.561   8.989  -9.119
  163    HZ3  LYS  22           2HZ      LYS  22   0.880   7.918 -10.399
  164    H    GLU  23           H        GLU  23   3.486   6.537  -5.437
  165    HA   GLU  23           HA       GLU  23   3.758   3.992  -6.709
  166    HB2  GLU  23           2HB      GLU  23   4.245   5.107  -3.992
  167    HB3  GLU  23           1HB      GLU  23   4.019   3.362  -4.115
  168    HG2  GLU  23           2HG      GLU  23   5.938   4.895  -5.882
  169    HG3  GLU  23           1HG      GLU  23   6.421   4.168  -4.351
  170    H    ALA  24           H        ALA  24   1.644   5.228  -4.139
  171    HA   ALA  24           HA       ALA  24   0.119   3.107  -3.495
  172    HB1  ALA  24           1HB      ALA  24  -1.842   4.978  -3.745
  173    HB2  ALA  24           2HB      ALA  24  -0.404   5.993  -3.753
  174    HB3  ALA  24           3HB      ALA  24  -0.706   4.912  -2.398
  175    H    CYS  25           H        CYS  25  -0.405   5.120  -6.406
  176    HA   CYS  25           HA       CYS  25  -2.535   3.431  -7.348
  177    HB2  CYS  25           2HB      CYS  25  -2.952   5.288  -8.522
  178    HB3  CYS  25           1HB      CYS  25  -1.408   5.981  -8.027
  179    HG   CYS  25           HG       CYS  25  -0.718   5.655 -10.381
  180    H    ASP  26           H        ASP  26   0.921   3.773  -7.985
  181    HA   ASP  26           HA       ASP  26   0.916   1.950 -10.214
  182    HB2  ASP  26           2HB      ASP  26   2.644   3.820  -9.565
  183    HB3  ASP  26           1HB      ASP  26   3.371   2.537  -8.602
  184    H    TRP  27           H        TRP  27   0.740   1.596  -6.856
  185    HA   TRP  27           HA       TRP  27   2.002  -1.042  -6.819
  186    HB2  TRP  27           2HB      TRP  27   2.425   0.420  -4.913
  187    HB3  TRP  27           1HB      TRP  27   0.693   0.591  -4.629
  188    HD1  TRP  27           HD       TRP  27   3.550  -1.927  -4.357
  189    HE1  TRP  27           1HE      TRP  27   2.796  -3.879  -2.850
  190    HE3  TRP  27           3HE      TRP  27  -1.373  -0.717  -3.742
  191    HZ2  TRP  27           2HZ      TRP  27   0.418  -4.804  -1.555
  192    HZ3  TRP  27           3HZ      TRP  27  -2.859  -2.149  -2.370
  193    HH2  TRP  27           HH       TRP  27  -1.970  -4.187  -1.275
  194    H    LEU  28           H        LEU  28  -1.183   0.460  -6.383
  195    HA   LEU  28           HA       LEU  28  -2.704  -1.728  -5.669
  196    HB2  LEU  28           2HB      LEU  28  -3.304   0.657  -7.407
  197    HB3  LEU  28           1HB      LEU  28  -4.529  -0.575  -7.105
  198    HG   LEU  28           HG       LEU  28  -3.026   0.575  -4.776
  199   HD11  LEU  28          1HD1      LEU  28  -4.974   2.003  -6.514
  200   HD12  LEU  28          2HD1      LEU  28  -3.700   2.650  -5.480
  201   HD13  LEU  28          3HD1      LEU  28  -5.229   2.133  -4.775
  202   HD21  LEU  28          3HD2      LEU  28  -4.786  -0.263  -3.547
  203   HD22  LEU  28          1HD2      LEU  28  -4.883  -1.361  -4.925
  204   HD23  LEU  28          2HD2      LEU  28  -5.959   0.032  -4.829
  205    H    ARG  29           H        ARG  29  -2.236  -0.583  -9.019
  206    HA   ARG  29           HA       ARG  29  -3.358  -2.805 -10.293
  207    HB2  ARG  29           2HB      ARG  29  -2.012  -2.085 -12.273
  208    HB3  ARG  29           1HB      ARG  29  -2.913  -0.767 -11.523
  209    HG2  ARG  29           2HG      ARG  29  -0.920  -0.011 -10.345
  210    HG3  ARG  29           1HG      ARG  29  -0.000  -1.386 -10.955
  211    HD2  ARG  29           2HD      ARG  29   0.202   0.910 -12.187
  212    HD3  ARG  29           1HD      ARG  29   0.042  -0.561 -13.141
  213    HE   ARG  29           HE       ARG  29  -2.081   0.147 -13.798
  214   HH11  ARG  29          1HH2      ARG  29  -0.856   2.043 -11.176
  215   HH12  ARG  29          2HH2      ARG  29  -2.113   3.232 -11.268
  216   HH21  ARG  29          1HH1      ARG  29  -3.732   1.700 -13.922
  217   HH22  ARG  29          2HH1      ARG  29  -3.742   3.037 -12.821
  218    H    ALA  30           H        ALA  30  -0.185  -2.301  -8.923
  219    HA   ALA  30           HA       ALA  30   0.993  -4.635 -10.143
  220    HB1  ALA  30           1HB      ALA  30   2.034  -3.221  -7.695
  221    HB2  ALA  30           2HB      ALA  30   2.216  -2.529  -9.308
  222    HB3  ALA  30           3HB      ALA  30   2.942  -4.092  -8.931
  223    H    ALA  31           H        ALA  31  -0.774  -3.891  -7.237
  224    HA   ALA  31           HA       ALA  31  -0.045  -6.283  -5.816
  225    HB1  ALA  31           1HB      ALA  31  -1.893  -5.637  -4.295
  226    HB2  ALA  31           2HB      ALA  31  -2.344  -4.352  -5.415
  227    HB3  ALA  31           3HB      ALA  31  -0.782  -4.300  -4.595
  228    H    GLY  32           H        GLY  32  -2.552  -5.334  -8.065
  229    HA2  GLY  32           2HA      GLY  32  -3.385  -7.307  -9.400
  230    HA3  GLY  32           1HA      GLY  32  -3.766  -8.026  -7.839
  231    H    PHE  33           H        PHE  33  -4.192  -4.621  -8.084
  232    HA   PHE  33           HA       PHE  33  -7.061  -4.919  -8.676
  233    HB2  PHE  33           2HB      PHE  33  -6.276  -3.097  -6.439
  234    HB3  PHE  33           1HB      PHE  33  -7.783  -3.974  -6.701
  235    HD1  PHE  33           2HD      PHE  33  -7.492  -6.636  -6.748
  236    HD2  PHE  33           1HD      PHE  33  -4.833  -3.888  -4.789
  237    HE1  PHE  33           2HE      PHE  33  -6.679  -8.464  -5.284
  238    HE2  PHE  33           1HE      PHE  33  -4.027  -5.716  -3.320
  239    HZ   PHE  33           HZ       PHE  33  -4.951  -8.004  -3.567
  240    HA   PRO  34           HA       PRO  34  -5.085  -1.317 -10.838
  241    HB2  PRO  34           2HB      PRO  34  -6.403  -2.256 -13.247
  242    HB3  PRO  34           1HB      PRO  34  -4.671  -2.091 -12.924
  243    HG2  PRO  34           2HG      PRO  34  -5.987  -4.476 -13.213
  244    HG3  PRO  34           1HG      PRO  34  -4.447  -4.264 -12.370
  245    HD2  PRO  34           2HD      PRO  34  -7.182  -4.632 -11.234
  246    HD3  PRO  34           1HD      PRO  34  -5.606  -5.130 -10.582
  247    H    GLN  35           H        GLN  35  -8.279  -2.528 -10.407
  248    HA   GLN  35           HA       GLN  35  -9.742  -0.524 -11.775
  249    HB2  GLN  35           2HB      GLN  35 -11.648  -1.319 -10.540
  250    HB3  GLN  35           1HB      GLN  35 -10.661  -2.717 -10.968
  251    HG2  GLN  35           2HG      GLN  35 -10.879  -3.208  -8.749
  252    HG3  GLN  35           1HG      GLN  35  -9.544  -2.067  -8.585
  253   HE21  GLN  35          1HE2      GLN  35  -9.926  -0.356  -7.174
  254   HE22  GLN  35          2HE2      GLN  35 -11.463   0.185  -6.696
  255    H    TYR  36           H        TYR  36  -8.176  -0.619  -8.652
  256    HA   TYR  36           HA       TYR  36  -9.572   1.586  -7.495
  257    HB2  TYR  36           2HB      TYR  36  -7.109   0.032  -6.877
  258    HB3  TYR  36           1HB      TYR  36  -7.262   1.633  -6.154
  259    HD1  TYR  36           2HD      TYR  36  -9.500   2.188  -4.971
  260    HD2  TYR  36           1HD      TYR  36  -8.234  -1.802  -5.929
  261    HE1  TYR  36           2HE      TYR  36 -11.076   1.283  -3.281
  262    HE2  TYR  36           1HE      TYR  36  -9.812  -2.709  -4.243
  263    HH   TYR  36           HH       TYR  36 -11.478  -0.646  -1.992
  264    H    ALA  37           H        ALA  37  -6.153   1.464  -8.496
  265    HA   ALA  37           HA       ALA  37  -5.513   4.095  -8.540
  266    HB1  ALA  37           1HB      ALA  37  -4.763   1.879 -10.426
  267    HB2  ALA  37           2HB      ALA  37  -3.791   2.636  -9.164
  268    HB3  ALA  37           3HB      ALA  37  -4.133   3.510 -10.657
  269    H    GLN  38           H        GLN  38  -7.442   2.400 -10.950
  270    HA   GLN  38           HA       GLN  38  -7.590   4.263 -12.976
  271    HB2  GLN  38           2HB      GLN  38  -9.194   2.035 -12.036
  272    HB3  GLN  38           1HB      GLN  38 -10.204   3.310 -12.718
  273    HG2  GLN  38           2HG      GLN  38  -7.758   2.166 -14.091
  274    HG3  GLN  38           1HG      GLN  38  -9.406   1.622 -14.403
  275   HE21  GLN  38          1HE2      GLN  38  -7.545   3.004 -16.287
  276   HE22  GLN  38          2HE2      GLN  38  -8.346   4.419 -16.770
  277    H    LEU  39           H        LEU  39  -9.335   4.217  -9.903
  278    HA   LEU  39           HA       LEU  39 -11.105   6.342 -10.426
  279    HB2  LEU  39           2HB      LEU  39  -9.966   5.177  -7.893
  280    HB3  LEU  39           1HB      LEU  39 -11.059   6.557  -7.854
  281    HG   LEU  39           HG       LEU  39 -11.837   4.162  -9.477
  282   HD11  LEU  39          1HD1      LEU  39 -11.629   4.305  -6.501
  283   HD12  LEU  39          2HD1      LEU  39 -11.491   2.912  -7.573
  284   HD13  LEU  39          3HD1      LEU  39 -13.079   3.566  -7.180
  285   HD21  LEU  39          3HD2      LEU  39 -13.616   5.772  -7.675
  286   HD22  LEU  39          1HD2      LEU  39 -13.991   5.006  -9.218
  287   HD23  LEU  39          2HD2      LEU  39 -13.053   6.497  -9.180
  288    H    TYR  40           H        TYR  40  -7.731   6.302  -9.485
  289    HA   TYR  40           HA       TYR  40  -7.443   8.898  -8.479
  290    HB2  TYR  40           2HB      TYR  40  -5.669   7.126  -8.499
  291    HB3  TYR  40           1HB      TYR  40  -5.446   7.436 -10.220
  292    HD1  TYR  40           2HD      TYR  40  -5.668   9.330  -6.981
  293    HD2  TYR  40           1HD      TYR  40  -3.827   8.996 -10.849
  294    HE1  TYR  40           2HE      TYR  40  -4.188  11.245  -6.442
  295    HE2  TYR  40           1HE      TYR  40  -2.346  10.907 -10.309
  296    HH   TYR  40           HH       TYR  40  -1.907  12.074  -7.207
  297    H    GLU  41           H        GLU  41  -6.827   7.819 -11.833
  298    HA   GLU  41           HA       GLU  41  -6.353  10.209 -13.053
  299    HB2  GLU  41           2HB      GLU  41  -8.114   7.999 -14.140
  300    HB3  GLU  41           1HB      GLU  41  -7.322   9.250 -15.097
  301    HG2  GLU  41           2HG      GLU  41  -5.550   7.866 -15.247
  302    HG3  GLU  41           1HG      GLU  41  -5.269   8.182 -13.536
  303    H    ASP  42           H        ASP  42  -9.449   8.974 -11.925
  304    HA   ASP  42           HA       ASP  42 -10.944  11.171 -13.095
  305    HB2  ASP  42           2HB      ASP  42 -11.596   8.607 -12.338
  306    HB3  ASP  42           1HB      ASP  42 -12.267   9.572 -11.025
  307    H    SER  43           H        SER  43  -9.405  10.376 -10.088
  308    HA   SER  43           HA       SER  43  -8.904  11.771  -8.308
  309    HB2  SER  43           2HB      SER  43 -10.862  13.857  -9.124
  310    HB3  SER  43           1HB      SER  43  -9.247  14.032  -8.446
  311    HG   SER  43           HG       SER  43  -9.662  14.489 -10.813
  312    H    GLN  44           H        GLN  44 -11.231   9.883  -8.646
  313    HA   GLN  44           HA       GLN  44 -13.004  10.949  -6.531
  314    HB2  GLN  44           2HB      GLN  44 -13.503   8.671  -8.460
  315    HB3  GLN  44           1HB      GLN  44 -14.654   9.325  -7.295
  316    HG2  GLN  44           2HG      GLN  44 -13.548  11.445  -8.930
  317    HG3  GLN  44           1HG      GLN  44 -14.256  10.187  -9.943
  318   HE21  GLN  44          1HE2      GLN  44 -16.520   9.379  -8.927
  319   HE22  GLN  44          2HE2      GLN  44 -17.558  10.635  -8.455
  320    H    PHE  45           H        PHE  45 -10.375   9.830  -6.038
  321    HA   PHE  45           HA       PHE  45 -10.534   7.134  -5.174
  322    HB2  PHE  45           2HB      PHE  45  -8.577   9.207  -5.223
  323    HB3  PHE  45           1HB      PHE  45  -8.643   8.541  -3.590
  324    HD1  PHE  45           1HD      PHE  45  -8.639   7.418  -7.167
  325    HD2  PHE  45           2HD      PHE  45  -7.448   6.584  -3.126
  326    HE1  PHE  45           1HE      PHE  45  -7.382   5.428  -7.947
  327    HE2  PHE  45           2HE      PHE  45  -6.196   4.589  -3.910
  328    HZ   PHE  45           HZ       PHE  45  -6.168   4.010  -6.314
  329    HA   PRO  46           HA       PRO  46 -11.273   9.143  -0.826
  330    HB2  PRO  46           2HB      PRO  46 -13.136  11.310  -1.614
  331    HB3  PRO  46           1HB      PRO  46 -11.823  11.330  -0.422
  332    HG2  PRO  46           2HG      PRO  46 -11.638  12.591  -2.782
  333    HG3  PRO  46           1HG      PRO  46 -10.240  11.872  -1.967
  334    HD2  PRO  46           2HD      PRO  46 -11.755  10.877  -4.340
  335    HD3  PRO  46           1HD      PRO  46 -10.029  10.703  -3.950
  336    H    ILE  47           H        ILE  47 -12.526   7.530  -0.198
  337    HA   ILE  47           HA       ILE  47 -15.394   7.613  -0.543
  338    HB   ILE  47           HB       ILE  47 -15.525   5.305  -1.491
  339   HG12  ILE  47          2HG1      ILE  47 -12.551   5.676  -1.497
  340   HG13  ILE  47          1HG1      ILE  47 -13.499   4.240  -1.136
  341   HG21  ILE  47          1HG2      ILE  47 -15.315   5.987  -3.752
  342   HG22  ILE  47          2HG2      ILE  47 -14.004   7.104  -3.380
  343   HG23  ILE  47          3HG2      ILE  47 -15.651   7.470  -2.865
  344   HD11  ILE  47          3HD1      ILE  47 -12.810   5.397  -3.835
  345   HD12  ILE  47          1HD1      ILE  47 -14.155   4.273  -3.636
  346   HD13  ILE  47          2HD1      ILE  47 -12.515   3.768  -3.232
  347    H    ASN  48           H        ASN  48 -16.271   5.385   0.428
  348    HA   ASN  48           HA       ASN  48 -15.358   5.304   3.125
  349    HB2  ASN  48           2HB      ASN  48 -17.704   4.793   2.291
  350    HB3  ASN  48           1HB      ASN  48 -17.081   3.233   1.757
  351   HD21  ASN  48          1HD2      ASN  48 -15.253   3.963   4.424
  352   HD22  ASN  48          2HD2      ASN  48 -16.192   3.213   5.623
  353    H    ILE  49           H        ILE  49 -13.205   4.699   3.229
  354    HA   ILE  49           HA       ILE  49 -11.947   2.653   1.814
  355    HB   ILE  49           HB       ILE  49 -11.410   3.713   4.592
  356   HG12  ILE  49          2HG1      ILE  49  -9.983   4.214   1.962
  357   HG13  ILE  49          1HG1      ILE  49 -11.247   5.269   2.592
  358   HG21  ILE  49          1HG2      ILE  49 -10.124   1.830   4.749
  359   HG22  ILE  49          2HG2      ILE  49  -9.033   2.718   3.686
  360   HG23  ILE  49          3HG2      ILE  49 -10.159   1.543   3.009
  361   HD11  ILE  49          3HD1      ILE  49  -9.341   4.766   4.683
  362   HD12  ILE  49          1HD1      ILE  49  -9.756   6.302   3.921
  363   HD13  ILE  49          2HD1      ILE  49  -8.480   5.294   3.240
  364    H    VAL  50           H        VAL  50 -13.570   2.528   4.967
  365    HA   VAL  50           HA       VAL  50 -13.052  -0.102   5.666
  366    HB   VAL  50           HB       VAL  50 -15.708   1.268   6.104
  367   HG11  VAL  50          1HG1      VAL  50 -14.480  -0.232   8.286
  368   HG12  VAL  50          2HG1      VAL  50 -14.731  -1.234   6.856
  369   HG13  VAL  50          3HG1      VAL  50 -16.094  -0.390   7.590
  370   HG21  VAL  50          3HG2      VAL  50 -13.018   2.018   6.958
  371   HG22  VAL  50          1HG2      VAL  50 -14.084   1.708   8.330
  372   HG23  VAL  50          2HG2      VAL  50 -14.530   2.911   7.120
  373    H    ALA  51           H        ALA  51 -15.722   1.139   3.660
  374    HA   ALA  51           HA       ALA  51 -16.872  -1.426   3.212
  375    HB1  ALA  51           1HB      ALA  51 -17.909   0.957   3.004
  376    HB2  ALA  51           2HB      ALA  51 -18.445  -0.321   1.915
  377    HB3  ALA  51           3HB      ALA  51 -17.287   0.887   1.355
  378    H    VAL  52           H        VAL  52 -15.421   0.736   0.767
  379    HA   VAL  52           HA       VAL  52 -15.293  -0.909  -1.363
  380    HB   VAL  52           HB       VAL  52 -13.236   0.237  -2.106
  381   HG11  VAL  52          1HG1      VAL  52 -14.929   2.281  -0.685
  382   HG12  VAL  52          2HG1      VAL  52 -15.624   1.305  -1.978
  383   HG13  VAL  52          3HG1      VAL  52 -14.241   2.346  -2.306
  384   HG21  VAL  52          3HG2      VAL  52 -13.180   0.988   0.796
  385   HG22  VAL  52          1HG2      VAL  52 -12.482   2.080  -0.397
  386   HG23  VAL  52          2HG2      VAL  52 -11.856   0.439  -0.228
  387    H    LYS  53           H        LYS  53 -12.696  -0.862   1.106
  388    HA   LYS  53           HA       LYS  53 -11.214  -2.964  -0.024
  389    HB2  LYS  53           2HB      LYS  53  -9.994  -3.003   1.989
  390    HB3  LYS  53           1HB      LYS  53 -10.521  -1.334   1.799
  391    HG2  LYS  53           2HG      LYS  53 -12.520  -1.946   3.250
  392    HG3  LYS  53           1HG      LYS  53 -11.667  -3.439   3.637
  393    HD2  LYS  53           2HD      LYS  53  -9.677  -1.727   4.119
  394    HD3  LYS  53           1HD      LYS  53 -11.025  -0.628   4.404
  395    HE2  LYS  53           2HE      LYS  53 -11.963  -2.648   5.827
  396    HE3  LYS  53           1HE      LYS  53 -10.264  -3.116   5.891
  397    HZ1  LYS  53           3HZ      LYS  53 -10.975  -0.328   6.455
  398    HZ2  LYS  53           1HZ      LYS  53  -9.698  -1.262   7.067
  399    HZ3  LYS  53           2HZ      LYS  53 -11.277  -1.495   7.652
  400    H    ASN  54           H        ASN  54 -13.727  -3.002   2.454
  401    HA   ASN  54           HA       ASN  54 -13.620  -5.796   2.964
  402    HB2  ASN  54           2HB      ASN  54 -15.674  -3.655   3.433
  403    HB3  ASN  54           1HB      ASN  54 -16.105  -5.348   3.676
  404   HD21  ASN  54          1HD2      ASN  54 -15.562  -3.017   5.658
  405   HD22  ASN  54          2HD2      ASN  54 -14.450  -3.685   6.754
  406    H    ASP  55           H        ASP  55 -15.742  -3.841   0.929
  407    HA   ASP  55           HA       ASP  55 -17.137  -6.018  -0.233
  408    HB2  ASP  55           2HB      ASP  55 -17.522  -3.348  -0.242
  409    HB3  ASP  55           1HB      ASP  55 -16.814  -3.553  -1.845
  410    H    HIS  56           H        HIS  56 -14.772  -3.857  -1.806
  411    HA   HIS  56           HA       HIS  56 -14.333  -5.561  -4.017
  412    HB2  HIS  56           2HB      HIS  56 -12.392  -3.515  -2.930
  413    HB3  HIS  56           1HB      HIS  56 -12.529  -4.091  -4.591
  414    HD2  HIS  56           2HD      HIS  56 -13.014  -0.959  -4.474
  415    HE1  HIS  56           1HE      HIS  56 -17.152  -1.757  -4.258
  416    HE2  HIS  56           2HE      HIS  56 -15.414   0.030  -4.740
  417    H    ASP  57           H        ASP  57 -13.666  -6.221  -0.908
  418    HA   ASP  57           HA       ASP  57 -11.116  -6.995  -0.513
  419    HB2  ASP  57           2HB      ASP  57 -12.711  -7.477   1.185
  420    HB3  ASP  57           1HB      ASP  57 -13.652  -8.509   0.108
  421    H    PHE  58           H        PHE  58  -9.692  -8.269  -1.426
  422    HA   PHE  58           HA       PHE  58 -10.607 -10.267  -3.408
  423    HB2  PHE  58           2HB      PHE  58  -8.157  -8.499  -3.493
  424    HB3  PHE  58           1HB      PHE  58  -8.488  -9.805  -4.630
  425    HD1  PHE  58           2HD      PHE  58 -10.991  -9.722  -5.640
  426    HD2  PHE  58           1HD      PHE  58  -8.795  -6.351  -4.132
  427    HE1  PHE  58           2HE      PHE  58 -12.413  -8.195  -6.978
  428    HE2  PHE  58           1HE      PHE  58 -10.217  -4.827  -5.472
  429    HZ   PHE  58           HZ       PHE  58 -12.026  -5.748  -6.895
  430    H    LEU  59           H        LEU  59  -7.254  -9.871  -2.725
  431    HA   LEU  59           HA       LEU  59  -6.868 -12.557  -2.009
  432    HB2  LEU  59           2HB      LEU  59  -5.228 -10.078  -1.989
  433    HB3  LEU  59           1HB      LEU  59  -4.657 -11.403  -0.980
  434    HG   LEU  59           HG       LEU  59  -3.739 -11.431  -3.325
  435   HD11  LEU  59          1HD1      LEU  59  -5.219 -13.903  -3.459
  436   HD12  LEU  59          2HD1      LEU  59  -4.774 -13.570  -1.786
  437   HD13  LEU  59          3HD1      LEU  59  -3.529 -13.650  -3.030
  438   HD21  LEU  59          3HD2      LEU  59  -6.164 -10.695  -4.151
  439   HD22  LEU  59          1HD2      LEU  59  -6.382 -12.439  -4.290
  440   HD23  LEU  59          2HD2      LEU  59  -5.091 -11.638  -5.184
  441    H    GLU  60           H        GLU  60  -5.406 -12.824   0.186
  442    HA   GLU  60           HA       GLU  60  -7.226 -13.031   2.277
  443    HB2  GLU  60           2HB      GLU  60  -4.344 -12.625   2.938
  444    HB3  GLU  60           1HB      GLU  60  -5.475 -13.840   3.534
  445    HG2  GLU  60           2HG      GLU  60  -5.460 -14.684   1.052
  446    HG3  GLU  60           1HG      GLU  60  -3.944 -13.790   0.948
  447    H    LYS  61           H        LYS  61  -6.061 -11.956   4.542
  448    HA   LYS  61           HA       LYS  61  -6.955  -9.197   4.339
  449    HB2  LYS  61           2HB      LYS  61  -7.473 -10.897   6.244
  450    HB3  LYS  61           1HB      LYS  61  -5.873 -10.451   6.842
  451    HG2  LYS  61           2HG      LYS  61  -7.094  -8.818   7.906
  452    HG3  LYS  61           1HG      LYS  61  -6.829  -7.987   6.372
  453    HD2  LYS  61           2HD      LYS  61  -9.010  -9.090   5.583
  454    HD3  LYS  61           1HD      LYS  61  -9.293  -9.478   7.280
  455    HE2  LYS  61           2HE      LYS  61 -10.394  -7.391   6.895
  456    HE3  LYS  61           1HE      LYS  61  -8.914  -7.003   7.773
  457    HZ1  LYS  61           3HZ      LYS  61  -9.163  -6.922   4.817
  458    HZ2  LYS  61           1HZ      LYS  61  -7.849  -6.385   5.748
  459    HZ3  LYS  61           2HZ      LYS  61  -9.334  -5.563   5.822
  460    H    ASP  62           H        ASP  62  -4.063 -10.785   3.916
  461    HA   ASP  62           HA       ASP  62  -2.312  -8.879   5.194
  462    HB2  ASP  62           2HB      ASP  62  -0.556 -10.202   4.425
  463    HB3  ASP  62           1HB      ASP  62  -1.858 -11.378   4.591
  464    H    LEU  63           H        LEU  63  -3.671  -9.385   1.997
  465    HA   LEU  63           HA       LEU  63  -2.083  -7.200   0.874
  466    HB2  LEU  63           2HB      LEU  63  -3.563  -9.491  -0.170
  467    HB3  LEU  63           1HB      LEU  63  -3.890  -8.010  -1.065
  468    HG   LEU  63           HG       LEU  63  -1.096  -8.964  -0.385
  469   HD11  LEU  63          1HD1      LEU  63  -1.003  -9.635  -2.801
  470   HD12  LEU  63          2HD1      LEU  63  -2.741  -9.351  -2.901
  471   HD13  LEU  63          3HD1      LEU  63  -2.114 -10.615  -1.844
  472   HD21  LEU  63          3HD2      LEU  63  -0.443  -6.995  -1.267
  473   HD22  LEU  63          1HD2      LEU  63  -2.136  -6.513  -1.364
  474   HD23  LEU  63          2HD2      LEU  63  -1.368  -7.312  -2.734
  475    H    VAL  64           H        VAL  64  -4.846  -7.462   2.655
  476    HA   VAL  64           HA       VAL  64  -6.379  -5.437   1.216
  477    HB   VAL  64           HB       VAL  64  -6.929  -6.925   3.789
  478   HG11  VAL  64          1HG1      VAL  64  -8.121  -4.926   4.055
  479   HG12  VAL  64          2HG1      VAL  64  -9.297  -5.953   3.234
  480   HG13  VAL  64          3HG1      VAL  64  -8.392  -4.744   2.322
  481   HG21  VAL  64          3HG2      VAL  64  -8.587  -7.155   1.318
  482   HG22  VAL  64          1HG2      VAL  64  -8.194  -8.382   2.522
  483   HG23  VAL  64          2HG2      VAL  64  -7.005  -7.936   1.299
  484    H    GLU  65           H        GLU  65  -4.554  -5.767   4.256
  485    HA   GLU  65           HA       GLU  65  -5.246  -3.279   5.356
  486    HB2  GLU  65           2HB      GLU  65  -3.417  -5.386   5.972
  487    HB3  GLU  65           1HB      GLU  65  -2.553  -3.850   6.071
  488    HG2  GLU  65           2HG      GLU  65  -5.224  -4.385   7.401
  489    HG3  GLU  65           1HG      GLU  65  -3.667  -4.503   8.217
  490    HA   PRO  66           HA       PRO  66  -1.242  -1.532   3.174
  491    HB2  PRO  66           2HB      PRO  66  -1.229  -3.187   0.719
  492    HB3  PRO  66           1HB      PRO  66   0.128  -2.669   1.734
  493    HG2  PRO  66           2HG      PRO  66  -0.784  -5.201   1.684
  494    HG3  PRO  66           1HG      PRO  66  -0.045  -4.466   3.115
  495    HD2  PRO  66           2HD      PRO  66  -2.911  -5.073   2.584
  496    HD3  PRO  66           1HD      PRO  66  -2.033  -5.009   4.120
  497    H    LEU  67           H        LEU  67  -3.861  -2.983   1.297
  498    HA   LEU  67           HA       LEU  67  -4.134  -1.061  -0.717
  499    HB2  LEU  67           2HB      LEU  67  -5.294  -3.297  -0.582
  500    HB3  LEU  67           1HB      LEU  67  -6.396  -2.580   0.593
  501    HG   LEU  67           HG       LEU  67  -6.380  -0.727  -1.470
  502   HD11  LEU  67          1HD1      LEU  67  -5.147  -2.463  -2.829
  503   HD12  LEU  67          2HD1      LEU  67  -6.689  -1.958  -3.522
  504   HD13  LEU  67          3HD1      LEU  67  -6.564  -3.500  -2.676
  505   HD21  LEU  67          3HD2      LEU  67  -8.373  -1.359  -0.281
  506   HD22  LEU  67          1HD2      LEU  67  -8.236  -3.033  -0.820
  507   HD23  LEU  67          2HD2      LEU  67  -8.649  -1.766  -1.975
  508    H    CYS  68           H        CYS  68  -5.551  -1.210   2.532
  509    HA   CYS  68           HA       CYS  68  -7.150   1.122   2.287
  510    HB2  CYS  68           2HB      CYS  68  -7.798   0.605   4.385
  511    HB3  CYS  68           1HB      CYS  68  -6.816  -0.848   4.192
  512    HG   CYS  68           HG       CYS  68  -5.926   0.357   6.319
  513    H    ARG  69           H        ARG  69  -3.785   0.627   2.708
  514    HA   ARG  69           HA       ARG  69  -3.230   3.187   3.932
  515    HB2  ARG  69           2HB      ARG  69  -1.805   0.771   3.426
  516    HB3  ARG  69           1HB      ARG  69  -0.920   2.094   2.663
  517    HG2  ARG  69           2HG      ARG  69  -1.056   3.371   4.804
  518    HG3  ARG  69           1HG      ARG  69  -1.830   1.974   5.555
  519    HD2  ARG  69           2HD      ARG  69   0.995   2.268   4.577
  520    HD3  ARG  69           1HD      ARG  69   0.414   1.647   6.119
  521    HE   ARG  69           HE       ARG  69  -0.554  -0.186   4.408
  522   HH11  ARG  69          1HH2      ARG  69   2.543   1.328   4.710
  523   HH12  ARG  69          2HH2      ARG  69   3.420  -0.025   4.076
  524   HH21  ARG  69          1HH1      ARG  69   0.587  -1.961   3.571
  525   HH22  ARG  69          2HH1      ARG  69   2.311  -1.887   3.431
  526    H    ARG  70           H        ARG  70  -2.843   1.741   0.703
  527    HA   ARG  70           HA       ARG  70  -1.803   4.109  -0.498
  528    HB2  ARG  70           2HB      ARG  70  -3.237   1.854  -1.910
  529    HB3  ARG  70           1HB      ARG  70  -2.043   2.952  -2.588
  530    HG2  ARG  70           2HG      ARG  70  -1.613   0.722  -0.607
  531    HG3  ARG  70           1HG      ARG  70  -0.847   0.948  -2.172
  532    HD2  ARG  70           2HD      ARG  70   0.162   3.093  -1.193
  533    HD3  ARG  70           1HD      ARG  70  -0.365   2.495   0.378
  534    HE   ARG  70           HE       ARG  70   1.868   1.536  -1.154
  535   HH11  ARG  70          1HH2      ARG  70  -0.624   0.689   1.093
  536   HH12  ARG  70          2HH2      ARG  70   0.255  -0.636   1.781
  537   HH21  ARG  70          1HH1      ARG  70   3.027  -0.200  -0.256
  538   HH22  ARG  70          2HH1      ARG  70   2.322  -1.138   1.017
  539    H    LEU  71           H        LEU  71  -5.002   3.003   0.242
  540    HA   LEU  71           HA       LEU  71  -6.279   4.826  -1.614
  541    HB2  LEU  71           2HB      LEU  71  -7.374   3.114   0.623
  542    HB3  LEU  71           1HB      LEU  71  -8.377   4.151  -0.389
  543    HG   LEU  71           HG       LEU  71  -6.493   2.182  -1.664
  544   HD11  LEU  71          1HD1      LEU  71  -9.277   1.598  -0.620
  545   HD12  LEU  71          2HD1      LEU  71  -7.776   0.879  -0.039
  546   HD13  LEU  71          3HD1      LEU  71  -8.345   0.532  -1.671
  547   HD21  LEU  71          3HD2      LEU  71  -7.675   2.635  -3.570
  548   HD22  LEU  71          1HD2      LEU  71  -8.170   4.091  -2.706
  549   HD23  LEU  71          2HD2      LEU  71  -9.217   2.675  -2.710
  550    H    ASN  72           H        ASN  72  -5.815   4.645   1.909
  551    HA   ASN  72           HA       ASN  72  -7.118   7.059   2.544
  552    HB2  ASN  72           2HB      ASN  72  -6.222   5.194   4.114
  553    HB3  ASN  72           1HB      ASN  72  -4.702   6.086   4.045
  554   HD21  ASN  72          1HD2      ASN  72  -8.108   7.261   4.149
  555   HD22  ASN  72          2HD2      ASN  72  -7.888   8.216   5.535
  556    H    THR  73           H        THR  73  -4.113   6.419   1.010
  557    HA   THR  73           HA       THR  73  -2.867   8.941   1.635
  558    HB   THR  73           HB       THR  73  -2.261   6.743  -0.342
  559    HG1  THR  73           1HG      THR  73  -0.302   6.868   1.071
  560   HG21  THR  73          3HG2      THR  73  -1.510   8.653  -1.508
  561   HG22  THR  73          1HG2      THR  73  -0.082   8.105  -0.632
  562   HG23  THR  73          2HG2      THR  73  -1.016   9.471  -0.026
  563    H    LEU  74           H        LEU  74  -4.048   7.555  -1.440
  564    HA   LEU  74           HA       LEU  74  -4.008   9.942  -2.904
  565    HB2  LEU  74           2HB      LEU  74  -5.201   7.271  -3.202
  566    HB3  LEU  74           1HB      LEU  74  -6.099   8.554  -4.014
  567    HG   LEU  74           HG       LEU  74  -4.123   9.251  -5.227
  568   HD11  LEU  74          1HD1      LEU  74  -2.197   9.012  -4.055
  569   HD12  LEU  74          2HD1      LEU  74  -2.140   7.412  -4.797
  570   HD13  LEU  74          3HD1      LEU  74  -2.795   7.608  -3.171
  571   HD21  LEU  74          3HD2      LEU  74  -4.139   6.228  -5.325
  572   HD22  LEU  74          1HD2      LEU  74  -3.845   7.355  -6.650
  573   HD23  LEU  74          2HD2      LEU  74  -5.465   7.195  -5.970
  574    H    ASN  75           H        ASN  75  -6.593   8.467  -0.973
  575    HA   ASN  75           HA       ASN  75  -8.699  10.155  -1.544
  576    HB2  ASN  75           2HB      ASN  75  -7.918   8.977   1.132
  577    HB3  ASN  75           1HB      ASN  75  -9.492   9.679   0.765
  578   HD21  ASN  75          1HD2      ASN  75  -8.948   6.852   1.473
  579   HD22  ASN  75          2HD2      ASN  75  -9.468   5.932   0.147
  580    H    LYS  76           H        LYS  76  -5.777  10.827   0.184
  581    HA   LYS  76           HA       LYS  76  -6.811  13.339   1.275
  582    HB2  LYS  76           2HB      LYS  76  -4.713  11.507   1.968
  583    HB3  LYS  76           1HB      LYS  76  -4.022  13.108   1.707
  584    HG2  LYS  76           2HG      LYS  76  -4.718  12.886   4.040
  585    HG3  LYS  76           1HG      LYS  76  -5.741  14.069   3.225
  586    HD2  LYS  76           2HD      LYS  76  -7.566  12.859   3.740
  587    HD3  LYS  76           1HD      LYS  76  -6.907  11.481   2.858
  588    HE2  LYS  76           2HE      LYS  76  -5.582  10.867   4.881
  589    HE3  LYS  76           1HE      LYS  76  -6.362  12.186   5.756
  590    HZ1  LYS  76           3HZ      LYS  76  -8.017  10.805   6.194
  591    HZ2  LYS  76           1HZ      LYS  76  -7.339   9.590   5.227
  592    HZ3  LYS  76           2HZ      LYS  76  -8.382  10.739   4.537
  593    H    CYS  77           H        CYS  77  -4.501  12.146  -1.109
  594    HA   CYS  77           HA       CYS  77  -3.645  14.822  -1.844
  595    HB2  CYS  77           2HB      CYS  77  -1.974  13.126  -1.987
  596    HB3  CYS  77           1HB      CYS  77  -3.027  12.075  -2.931
  597    HG   CYS  77           HG       CYS  77  -1.425  13.325  -4.597
  598    H    ALA  78           H        ALA  78  -6.253  12.829  -2.573
  599    HA   ALA  78           HA       ALA  78  -6.615  13.560  -5.330
  600    HB1  ALA  78           1HB      ALA  78  -7.642  11.531  -4.750
  601    HB2  ALA  78           2HB      ALA  78  -8.992  12.666  -4.817
  602    HB3  ALA  78           3HB      ALA  78  -8.316  12.193  -3.258
  603    H    SER  79           H        SER  79  -7.193  15.075  -2.325
  604    HA   SER  79           HA       SER  79  -9.359  16.765  -3.285
  605    HB2  SER  79           2HB      SER  79  -8.480  15.949  -0.765
  606    HB3  SER  79           1HB      SER  79  -8.071  17.660  -0.842
  607    HG   SER  79           HG       SER  79 -10.116  17.929  -0.432
  608    H    MET  80           H        MET  80  -6.181  16.685  -3.949
  609    HA   MET  80           HA       MET  80  -4.645  18.210  -4.722
  610    HB2  MET  80           2HB      MET  80  -7.028  20.055  -4.986
  611    HB3  MET  80           1HB      MET  80  -5.507  20.139  -5.878
  612    HG2  MET  80           2HG      MET  80  -6.042  17.779  -6.720
  613    HG3  MET  80           1HG      MET  80  -7.665  18.031  -6.078
  614    HE1  MET  80           3HE      MET  80  -5.856  19.431  -9.920
  615    HE2  MET  80           1HE      MET  80  -6.092  17.803  -9.266
  616    HE3  MET  80           2HE      MET  80  -4.959  18.910  -8.496
  617    H    LYS  81           H        LYS  81  -3.492  20.173  -4.180
  618    HA   LYS  81           HA       LYS  81  -3.517  20.710  -1.376
  619    HB2  LYS  81           2HB      LYS  81  -1.940  21.614  -3.731
  620    HB3  LYS  81           1HB      LYS  81  -1.928  22.655  -2.307
  621    HG2  LYS  81           2HG      LYS  81  -1.186  20.806  -0.904
  622    HG3  LYS  81           1HG      LYS  81  -1.311  19.687  -2.262
  623    HD2  LYS  81           2HD      LYS  81   0.329  22.038  -2.869
  624    HD3  LYS  81           1HD      LYS  81   0.973  21.072  -1.541
  625    HE2  LYS  81           2HE      LYS  81   1.050  19.099  -2.888
  626    HE3  LYS  81           1HE      LYS  81   0.080  19.845  -4.157
  627    HZ1  LYS  81           3HZ      LYS  81   2.353  21.430  -3.631
  628    HZ2  LYS  81           1HZ      LYS  81   1.904  20.662  -5.074
  629    HZ3  LYS  81           2HZ      LYS  81   2.843  19.832  -3.929
  Start of MODEL   15
    1    H1   MET   1           1HT      MET   1  23.306 -16.039 -22.444
    2    H2   MET   1           2HT      MET   1  23.362 -17.496 -21.571
    3    H3   MET   1           3HT      MET   1  22.679 -16.108 -20.869
    4    HA   MET   1           HA       MET   1  21.179 -16.303 -23.059
    5    HB2  MET   1           2HB      MET   1  22.468 -18.895 -22.600
    6    HB3  MET   1           1HB      MET   1  20.707 -18.998 -22.618
    7    HG2  MET   1           2HG      MET   1  21.718 -19.263 -24.890
    8    HG3  MET   1           1HG      MET   1  20.617 -17.890 -24.784
    9    HE1  MET   1           2HE      MET   1  21.980 -18.159 -26.948
   10    HE2  MET   1           3HE      MET   1  23.740 -18.137 -26.992
   11    HE3  MET   1           1HE      MET   1  22.826 -16.655 -27.301
   12    H    HIS   2           H        HIS   2  21.179 -18.727 -20.454
   13    HA   HIS   2           HA       HIS   2  18.668 -17.589 -19.454
   14    HB2  HIS   2           2HB      HIS   2  20.101 -20.175 -18.806
   15    HB3  HIS   2           1HB      HIS   2  18.561 -19.676 -18.104
   16    HD2  HIS   2           2HD      HIS   2  16.899 -18.733 -20.706
   17    HE1  HIS   2           1HE      HIS   2  18.039 -22.397 -22.465
   18    HE2  HIS   2           2HE      HIS   2  16.413 -20.452 -22.611
   19    H    HIS   3           H        HIS   3  18.879 -16.027 -17.980
   20    HA   HIS   3           HA       HIS   3  21.130 -16.134 -16.085
   21    HB2  HIS   3           2HB      HIS   3  20.626 -14.048 -17.476
   22    HB3  HIS   3           1HB      HIS   3  19.200 -13.845 -16.459
   23    HD2  HIS   3           2HD      HIS   3  23.120 -14.212 -15.797
   24    HE1  HIS   3           1HE      HIS   3  21.407 -11.810 -12.777
   25    HE2  HIS   3           2HE      HIS   3  23.582 -12.776 -13.665
   26    H    HIS   4           H        HIS   4  17.623 -15.462 -16.112
   27    HA   HIS   4           HA       HIS   4  16.019 -15.696 -14.479
   28    HB2  HIS   4           2HB      HIS   4  16.372 -18.048 -14.794
   29    HB3  HIS   4           1HB      HIS   4  17.844 -18.015 -13.823
   30    HD2  HIS   4           2HD      HIS   4  16.714 -19.713 -11.821
   31    HE1  HIS   4           1HE      HIS   4  13.738 -16.981 -10.593
   32    HE2  HIS   4           2HE      HIS   4  14.890 -19.173 -10.031
   33    H    HIS   5           H        HIS   5  16.221 -13.841 -13.279
   34    HA   HIS   5           HA       HIS   5  17.678 -14.127 -10.734
   35    HB2  HIS   5           2HB      HIS   5  18.550 -11.875 -10.884
   36    HB3  HIS   5           1HB      HIS   5  19.047 -12.765 -12.323
   37    HD2  HIS   5           2HD      HIS   5  16.303 -10.052 -11.376
   38    HE1  HIS   5           1HE      HIS   5  16.913  -9.988 -15.554
   39    HE2  HIS   5           2HE      HIS   5  15.707  -8.862 -13.623
   40    H    HIS   6           H        HIS   6  17.025 -12.212  -9.247
   41    HA   HIS   6           HA       HIS   6  14.242 -11.385  -9.669
   42    HB2  HIS   6           2HB      HIS   6  14.831 -13.595  -8.104
   43    HB3  HIS   6           1HB      HIS   6  14.695 -12.285  -6.931
   44    HD2  HIS   6           2HD      HIS   6  12.201 -10.589  -8.035
   45    HE1  HIS   6           1HE      HIS   6  10.134 -14.256  -8.370
   46    HE2  HIS   6           2HE      HIS   6   9.866 -11.732  -8.286
   47    H    HIS   7           H        HIS   7  13.917  -9.342  -9.038
   48    HA   HIS   7           HA       HIS   7  16.058  -8.018  -7.507
   49    HB2  HIS   7           2HB      HIS   7  14.058  -7.116  -9.532
   50    HB3  HIS   7           1HB      HIS   7  14.607  -5.952  -8.326
   51    HD2  HIS   7           2HD      HIS   7  17.493  -5.498  -8.373
   52    HE1  HIS   7           1HE      HIS   7  17.982  -7.121 -12.239
   53    HE2  HIS   7           2HE      HIS   7  19.106  -5.766 -10.409
   54    H    SER   8           H        SER   8  15.144  -6.077  -6.180
   55    HA   SER   8           HA       SER   8  12.564  -6.373  -4.986
   56    HB2  SER   8           2HB      SER   8  13.226  -7.121  -2.784
   57    HB3  SER   8           1HB      SER   8  13.776  -8.310  -3.964
   58    HG   SER   8           HG       SER   8  15.369  -6.173  -2.983
   59    H    SER   9           H        SER   9  12.421  -4.945  -2.962
   60    HA   SER   9           HA       SER   9  14.420  -2.866  -2.722
   61    HB2  SER   9           2HB      SER   9  13.484  -1.271  -3.994
   62    HB3  SER   9           1HB      SER   9  12.435  -2.518  -4.662
   63    HG   SER   9           HG       SER   9  11.167  -2.074  -2.624
   64    H    GLY  10           H        GLY  10  13.569  -1.103  -1.191
   65    HA2  GLY  10           2HA      GLY  10  11.369  -1.528   0.503
   66    HA3  GLY  10           1HA      GLY  10  12.772  -2.304   1.230
   67    H    LEU  11           H        LEU  11  11.117   0.624   0.756
   68    HA   LEU  11           HA       LEU  11  13.301   2.101   2.089
   69    HB2  LEU  11           2HB      LEU  11  11.482   3.278  -0.022
   70    HB3  LEU  11           1HB      LEU  11  12.870   4.049   0.746
   71    HG   LEU  11           HG       LEU  11  14.039   1.789  -0.212
   72   HD11  LEU  11          1HD1      LEU  11  11.922   2.581  -2.236
   73   HD12  LEU  11          2HD1      LEU  11  11.919   1.086  -1.303
   74   HD13  LEU  11          3HD1      LEU  11  13.197   1.387  -2.481
   75   HD21  LEU  11          3HD2      LEU  11  13.568   4.431  -1.626
   76   HD22  LEU  11          1HD2      LEU  11  14.769   3.246  -2.137
   77   HD23  LEU  11          2HD2      LEU  11  14.913   4.023  -0.561
   78    H    VAL  12           H        VAL  12  12.663   3.632   3.603
   79    HA   VAL  12           HA       VAL  12   9.775   3.823   4.175
   80    HB   VAL  12           HB       VAL  12  11.823   3.540   6.365
   81   HG11  VAL  12          1HG1      VAL  12   9.329   4.423   6.547
   82   HG12  VAL  12          2HG1      VAL  12   9.984   3.330   7.767
   83   HG13  VAL  12          3HG1      VAL  12   8.948   2.702   6.485
   84   HG21  VAL  12          3HG2      VAL  12  10.268   1.376   4.918
   85   HG22  VAL  12          1HG2      VAL  12  11.033   1.142   6.489
   86   HG23  VAL  12          2HG2      VAL  12  12.020   1.504   5.074
   87    HA   PRO  13           HA       PRO  13  11.962   7.931   4.331
   88    HB2  PRO  13           2HB      PRO  13  10.613   9.156   2.314
   89    HB3  PRO  13           1HB      PRO  13  12.055   8.161   2.037
   90    HG2  PRO  13           2HG      PRO  13   9.195   7.510   1.602
   91    HG3  PRO  13           1HG      PRO  13  10.622   7.018   0.677
   92    HD2  PRO  13           2HD      PRO  13   9.300   5.419   2.541
   93    HD3  PRO  13           1HD      PRO  13  10.967   5.165   1.980
   94    H    ARG  14           H        ARG  14  11.107   9.924   5.122
   95    HA   ARG  14           HA       ARG  14   8.445   9.648   6.320
   96    HB2  ARG  14           2HB      ARG  14  10.888  11.257   6.916
   97    HB3  ARG  14           1HB      ARG  14   9.328  11.904   7.417
   98    HG2  ARG  14           2HG      ARG  14  10.024   9.040   8.015
   99    HG3  ARG  14           1HG      ARG  14  10.640  10.327   9.050
  100    HD2  ARG  14           2HD      ARG  14   8.580  10.800   9.914
  101    HD3  ARG  14           1HD      ARG  14   7.754  10.490   8.389
  102    HE   ARG  14           HE       ARG  14   7.359   8.342   9.141
  103   HH11  ARG  14          1HH2      ARG  14  10.058   9.728  10.805
  104   HH12  ARG  14          2HH2      ARG  14  10.276   8.376  11.864
  105   HH21  ARG  14          1HH1      ARG  14   7.641   6.563  10.525
  106   HH22  ARG  14          2HH1      ARG  14   8.907   6.583  11.706
  107    H    GLY  15           H        GLY  15   7.021  11.556   6.366
  108    HA2  GLY  15           2HA      GLY  15   5.662  12.969   5.137
  109    HA3  GLY  15           1HA      GLY  15   7.167  13.845   4.875
  110    H    SER  16           H        SER  16   6.673  10.582   3.716
  111    HA   SER  16           HA       SER  16   7.167  11.455   0.992
  112    HB2  SER  16           2HB      SER  16   6.496   8.676   1.154
  113    HB3  SER  16           1HB      SER  16   8.059   9.412   0.812
  114    HG   SER  16           HG       SER  16   7.714   8.020   2.810
  115    H    GLN  17           H        GLN  17   4.530  11.787   2.668
  116    HA   GLN  17           HA       GLN  17   2.402  10.403   1.702
  117    HB2  GLN  17           2HB      GLN  17   2.394  12.428   3.257
  118    HB3  GLN  17           1HB      GLN  17   2.371  13.420   1.799
  119    HG2  GLN  17           2HG      GLN  17   0.084  13.125   2.445
  120    HG3  GLN  17           1HG      GLN  17   0.346  12.075   1.054
  121   HE21  GLN  17          1HE2      GLN  17  -1.431  10.660   1.812
  122   HE22  GLN  17          2HE2      GLN  17  -1.184   9.602   3.115
  123    H    GLU  18           H        GLU  18   4.482  12.521  -0.097
  124    HA   GLU  18           HA       GLU  18   2.709  12.847  -2.345
  125    HB2  GLU  18           2HB      GLU  18   5.512  13.590  -1.679
  126    HB3  GLU  18           1HB      GLU  18   5.092  13.467  -3.388
  127    HG2  GLU  18           2HG      GLU  18   3.330  14.991  -1.479
  128    HG3  GLU  18           1HG      GLU  18   4.746  15.754  -2.201
  129    H    ILE  19           H        ILE  19   5.920  11.292  -2.176
  130    HA   ILE  19           HA       ILE  19   5.730   9.826  -4.521
  131    HB   ILE  19           HB       ILE  19   7.170   9.161  -1.945
  132   HG12  ILE  19          2HG1      ILE  19   8.562   9.997  -4.435
  133   HG13  ILE  19          1HG1      ILE  19   7.604  11.240  -3.631
  134   HG21  ILE  19          1HG2      ILE  19   7.196   7.090  -2.979
  135   HG22  ILE  19          2HG2      ILE  19   8.583   7.838  -3.772
  136   HG23  ILE  19          3HG2      ILE  19   7.024   7.776  -4.593
  137   HD11  ILE  19          3HD1      ILE  19   9.943  11.206  -2.804
  138   HD12  ILE  19          1HD1      ILE  19   9.722   9.534  -2.288
  139   HD13  ILE  19          2HD1      ILE  19   8.791  10.823  -1.523
  140    H    GLU  20           H        GLU  20   3.976   9.443  -1.638
  141    HA   GLU  20           HA       GLU  20   3.484   6.621  -1.807
  142    HB2  GLU  20           2HB      GLU  20   2.241   8.898  -0.287
  143    HB3  GLU  20           1HB      GLU  20   1.485   7.304  -0.295
  144    HG2  GLU  20           2HG      GLU  20   3.590   6.300   0.514
  145    HG3  GLU  20           1HG      GLU  20   4.342   7.894   0.529
  146    H    ALA  21           H        ALA  21   2.078   9.490  -3.202
  147    HA   ALA  21           HA       ALA  21  -0.403   8.362  -4.000
  148    HB1  ALA  21           1HB      ALA  21   1.173  10.779  -4.775
  149    HB2  ALA  21           2HB      ALA  21  -0.455  10.669  -4.106
  150    HB3  ALA  21           3HB      ALA  21  -0.168  10.275  -5.800
  151    H    LYS  22           H        LYS  22   2.380   9.231  -6.062
  152    HA   LYS  22           HA       LYS  22   1.604   7.893  -8.345
  153    HB2  LYS  22           2HB      LYS  22   3.548   9.380  -8.278
  154    HB3  LYS  22           1HB      LYS  22   4.416   8.220  -7.273
  155    HG2  LYS  22           2HG      LYS  22   3.310   7.026  -9.714
  156    HG3  LYS  22           1HG      LYS  22   4.490   8.300 -10.035
  157    HD2  LYS  22           2HD      LYS  22   6.161   7.201  -8.700
  158    HD3  LYS  22           1HD      LYS  22   4.987   6.036  -8.087
  159    HE2  LYS  22           2HE      LYS  22   5.180   6.154 -11.031
  160    HE3  LYS  22           1HE      LYS  22   6.633   5.570 -10.219
  161    HZ1  LYS  22           3HZ      LYS  22   4.809   4.223  -8.879
  162    HZ2  LYS  22           1HZ      LYS  22   5.494   3.637 -10.317
  163    HZ3  LYS  22           2HZ      LYS  22   3.972   4.389 -10.349
  164    H    GLU  23           H        GLU  23   3.287   6.586  -5.512
  165    HA   GLU  23           HA       GLU  23   3.661   3.986  -6.661
  166    HB2  GLU  23           2HB      GLU  23   4.018   5.225  -3.971
  167    HB3  GLU  23           1HB      GLU  23   3.868   3.470  -4.052
  168    HG2  GLU  23           2HG      GLU  23   5.771   5.003  -5.829
  169    HG3  GLU  23           1HG      GLU  23   6.242   4.416  -4.235
  170    H    ALA  24           H        ALA  24   1.471   5.301  -4.190
  171    HA   ALA  24           HA       ALA  24  -0.058   3.210  -3.487
  172    HB1  ALA  24           1HB      ALA  24  -0.801   6.043  -4.127
  173    HB2  ALA  24           2HB      ALA  24  -0.749   5.235  -2.564
  174    HB3  ALA  24           3HB      ALA  24  -2.059   4.892  -3.691
  175    H    CYS  25           H        CYS  25  -0.520   5.059  -6.515
  176    HA   CYS  25           HA       CYS  25  -2.593   3.299  -7.443
  177    HB2  CYS  25           2HB      CYS  25  -2.949   4.943  -8.926
  178    HB3  CYS  25           1HB      CYS  25  -1.666   5.845  -8.121
  179    HG   CYS  25           HG       CYS  25  -0.165   5.427 -10.051
  180    H    ASP  26           H        ASP  26   0.893   3.603  -7.947
  181    HA   ASP  26           HA       ASP  26   0.976   1.677 -10.090
  182    HB2  ASP  26           2HB      ASP  26   2.712   3.552  -9.353
  183    HB3  ASP  26           1HB      ASP  26   3.385   2.220  -8.419
  184    H    TRP  27           H        TRP  27   0.669   1.484  -6.710
  185    HA   TRP  27           HA       TRP  27   1.842  -1.195  -6.549
  186    HB2  TRP  27           2HB      TRP  27   2.261   0.404  -4.710
  187    HB3  TRP  27           1HB      TRP  27   0.526   0.491  -4.404
  188    HD1  TRP  27           HD       TRP  27   3.541  -1.773  -3.976
  189    HE1  TRP  27           1HE      TRP  27   2.890  -3.774  -2.488
  190    HE3  TRP  27           3HE      TRP  27  -1.504  -1.043  -3.675
  191    HZ2  TRP  27           2HZ      TRP  27   0.538  -4.915  -1.324
  192    HZ3  TRP  27           3HZ      TRP  27  -2.925  -2.602  -2.373
  193    HH2  TRP  27           HH       TRP  27  -1.911  -4.533  -1.199
  194    H    LEU  28           H        LEU  28  -1.289   0.438  -6.174
  195    HA   LEU  28           HA       LEU  28  -2.873  -1.723  -5.442
  196    HB2  LEU  28           2HB      LEU  28  -3.365   0.812  -6.947
  197    HB3  LEU  28           1HB      LEU  28  -4.636  -0.411  -6.917
  198    HG   LEU  28           HG       LEU  28  -3.306   0.295  -4.333
  199   HD11  LEU  28          1HD1      LEU  28  -5.329   2.024  -4.223
  200   HD12  LEU  28          2HD1      LEU  28  -5.050   2.093  -5.961
  201   HD13  LEU  28          3HD1      LEU  28  -3.751   2.503  -4.844
  202   HD21  LEU  28          3HD2      LEU  28  -6.224  -0.175  -4.968
  203   HD22  LEU  28          1HD2      LEU  28  -5.402  -0.365  -3.419
  204   HD23  LEU  28          2HD2      LEU  28  -5.098  -1.510  -4.725
  205    H    ARG  29           H        ARG  29  -1.594  -0.834  -8.587
  206    HA   ARG  29           HA       ARG  29  -3.146  -2.810 -10.017
  207    HB2  ARG  29           2HB      ARG  29  -1.686  -2.181 -11.933
  208    HB3  ARG  29           1HB      ARG  29  -2.452  -0.783 -11.178
  209    HG2  ARG  29           2HG      ARG  29  -0.392  -0.387  -9.858
  210    HG3  ARG  29           1HG      ARG  29   0.377  -1.747 -10.675
  211    HD2  ARG  29           2HD      ARG  29   1.089   0.165 -11.886
  212    HD3  ARG  29           1HD      ARG  29  -0.193  -0.541 -12.868
  213    HE   ARG  29           HE       ARG  29  -1.492   1.268 -11.268
  214   HH11  ARG  29          1HH2      ARG  29   1.212   1.345 -13.426
  215   HH12  ARG  29          2HH2      ARG  29   0.966   2.992 -13.899
  216   HH21  ARG  29          1HH1      ARG  29  -1.823   3.430 -11.885
  217   HH22  ARG  29          2HH1      ARG  29  -0.753   4.173 -13.027
  218    H    ALA  30           H        ALA  30  -0.013  -2.603  -8.491
  219    HA   ALA  30           HA       ALA  30   0.976  -5.051  -9.685
  220    HB1  ALA  30           1HB      ALA  30   2.257  -2.917  -8.674
  221    HB2  ALA  30           2HB      ALA  30   2.983  -4.523  -8.725
  222    HB3  ALA  30           3HB      ALA  30   2.239  -3.940  -7.236
  223    H    ALA  31           H        ALA  31  -0.794  -4.090  -6.863
  224    HA   ALA  31           HA       ALA  31  -0.277  -6.508  -5.371
  225    HB1  ALA  31           1HB      ALA  31  -1.807  -5.626  -3.753
  226    HB2  ALA  31           2HB      ALA  31  -2.498  -4.505  -4.927
  227    HB3  ALA  31           3HB      ALA  31  -0.851  -4.267  -4.344
  228    H    GLY  32           H        GLY  32  -2.305  -5.624  -7.948
  229    HA2  GLY  32           2HA      GLY  32  -3.478  -7.399  -9.125
  230    HA3  GLY  32           1HA      GLY  32  -3.913  -8.076  -7.559
  231    H    PHE  33           H        PHE  33  -4.032  -4.650  -8.351
  232    HA   PHE  33           HA       PHE  33  -6.930  -4.720  -8.691
  233    HB2  PHE  33           2HB      PHE  33  -5.544  -3.422  -6.348
  234    HB3  PHE  33           1HB      PHE  33  -7.135  -2.898  -6.903
  235    HD1  PHE  33           1HD      PHE  33  -8.918  -4.786  -7.247
  236    HD2  PHE  33           2HD      PHE  33  -5.387  -5.211  -4.840
  237    HE1  PHE  33           1HE      PHE  33  -9.971  -6.677  -6.035
  238    HE2  PHE  33           2HE      PHE  33  -6.439  -7.100  -3.628
  239    HZ   PHE  33           HZ       PHE  33  -8.731  -7.834  -4.227
  240    HA   PRO  34           HA       PRO  34  -4.710  -1.371 -11.012
  241    HB2  PRO  34           2HB      PRO  34  -5.227  -2.242 -13.530
  242    HB3  PRO  34           1HB      PRO  34  -3.846  -2.825 -12.582
  243    HG2  PRO  34           2HG      PRO  34  -6.429  -4.149 -13.170
  244    HG3  PRO  34           1HG      PRO  34  -4.816  -4.850 -12.966
  245    HD2  PRO  34           2HD      PRO  34  -6.829  -4.839 -11.022
  246    HD3  PRO  34           1HD      PRO  34  -5.105  -5.131 -10.715
  247    H    GLN  35           H        GLN  35  -7.830  -2.438 -10.559
  248    HA   GLN  35           HA       GLN  35  -9.105  -0.600 -12.425
  249    HB2  GLN  35           2HB      GLN  35 -11.133  -1.606 -11.853
  250    HB3  GLN  35           1HB      GLN  35  -9.987  -2.937 -11.701
  251    HG2  GLN  35           2HG      GLN  35 -11.242  -1.291  -9.502
  252    HG3  GLN  35           1HG      GLN  35 -11.286  -3.038  -9.722
  253   HE21  GLN  35          1HE2      GLN  35  -9.952  -0.854  -7.705
  254   HE22  GLN  35          2HE2      GLN  35  -8.468  -1.608  -7.373
  255    H    TYR  36           H        TYR  36  -7.741  -0.423  -9.357
  256    HA   TYR  36           HA       TYR  36  -9.580   1.554  -8.288
  257    HB2  TYR  36           2HB      TYR  36  -7.401  -0.054  -7.265
  258    HB3  TYR  36           1HB      TYR  36  -7.167   1.638  -6.837
  259    HD1  TYR  36           2HD      TYR  36  -9.645   2.803  -6.277
  260    HD2  TYR  36           1HD      TYR  36  -8.481  -1.279  -5.601
  261    HE1  TYR  36           2HE      TYR  36 -11.379   2.597  -4.517
  262    HE2  TYR  36           1HE      TYR  36 -10.215  -1.482  -3.843
  263    HH   TYR  36           HH       TYR  36 -12.412  -0.338  -3.292
  264    H    ALA  37           H        ALA  37  -6.074   1.643  -8.907
  265    HA   ALA  37           HA       ALA  37  -5.523   4.280  -8.832
  266    HB1  ALA  37           1HB      ALA  37  -4.601   2.248 -10.864
  267    HB2  ALA  37           2HB      ALA  37  -3.767   2.777  -9.403
  268    HB3  ALA  37           3HB      ALA  37  -3.930   3.877 -10.772
  269    H    GLN  38           H        GLN  38  -7.330   2.651 -11.365
  270    HA   GLN  38           HA       GLN  38  -7.383   4.609 -13.334
  271    HB2  GLN  38           2HB      GLN  38  -8.957   2.284 -12.604
  272    HB3  GLN  38           1HB      GLN  38  -9.975   3.563 -13.271
  273    HG2  GLN  38           2HG      GLN  38  -7.414   2.611 -14.581
  274    HG3  GLN  38           1HG      GLN  38  -9.010   1.991 -15.001
  275   HE21  GLN  38          1HE2      GLN  38  -9.144   5.285 -14.076
  276   HE22  GLN  38          2HE2      GLN  38  -9.171   5.959 -15.634
  277    H    LEU  39           H        LEU  39  -9.365   4.307 -10.416
  278    HA   LEU  39           HA       LEU  39 -11.170   6.381 -10.871
  279    HB2  LEU  39           2HB      LEU  39 -10.036   5.126  -8.390
  280    HB3  LEU  39           1HB      LEU  39 -11.107   6.519  -8.266
  281    HG   LEU  39           HG       LEU  39 -11.950   4.270 -10.045
  282   HD11  LEU  39          1HD1      LEU  39 -11.701   4.155  -7.061
  283   HD12  LEU  39          2HD1      LEU  39 -11.508   2.870  -8.250
  284   HD13  LEU  39          3HD1      LEU  39 -13.121   3.428  -7.815
  285   HD21  LEU  39          3HD2      LEU  39 -13.415   6.086  -8.101
  286   HD22  LEU  39          1HD2      LEU  39 -14.169   4.970  -9.240
  287   HD23  LEU  39          2HD2      LEU  39 -13.269   6.365  -9.836
  288    H    TYR  40           H        TYR  40  -7.876   6.482  -9.563
  289    HA   TYR  40           HA       TYR  40  -7.712   9.023  -8.547
  290    HB2  TYR  40           2HB      TYR  40  -5.818   7.433  -8.609
  291    HB3  TYR  40           1HB      TYR  40  -5.646   7.727 -10.339
  292    HD1  TYR  40           2HD      TYR  40  -5.842   9.598  -7.094
  293    HD2  TYR  40           1HD      TYR  40  -4.214   9.424 -11.067
  294    HE1  TYR  40           2HE      TYR  40  -4.467  11.609  -6.620
  295    HE2  TYR  40           1HE      TYR  40  -2.840  11.433 -10.591
  296    HH   TYR  40           HH       TYR  40  -2.267  12.587  -7.534
  297    H    GLU  41           H        GLU  41  -7.176   8.159 -11.968
  298    HA   GLU  41           HA       GLU  41  -6.728  10.620 -13.063
  299    HB2  GLU  41           2HB      GLU  41  -8.645   8.698 -14.369
  300    HB3  GLU  41           1HB      GLU  41  -7.450   9.749 -15.131
  301    HG2  GLU  41           2HG      GLU  41  -6.975   7.226 -13.540
  302    HG3  GLU  41           1HG      GLU  41  -6.479   7.582 -15.193
  303    H    ASP  42           H        ASP  42  -9.757   9.373 -11.809
  304    HA   ASP  42           HA       ASP  42 -11.231  11.699 -12.807
  305    HB2  ASP  42           2HB      ASP  42 -11.945   9.059 -12.414
  306    HB3  ASP  42           1HB      ASP  42 -12.652   9.873 -11.019
  307    H    SER  43           H        SER  43  -9.599  10.608 -10.000
  308    HA   SER  43           HA       SER  43  -9.133  11.766  -8.048
  309    HB2  SER  43           2HB      SER  43  -9.898  13.803  -9.605
  310    HB3  SER  43           1HB      SER  43 -11.265  13.792  -8.495
  311    HG   SER  43           HG       SER  43  -9.740  13.880  -6.779
  312    H    GLN  44           H        GLN  44 -11.569   9.946  -8.766
  313    HA   GLN  44           HA       GLN  44 -13.366  10.568  -6.547
  314    HB2  GLN  44           2HB      GLN  44 -13.397   8.367  -8.624
  315    HB3  GLN  44           1HB      GLN  44 -14.635   8.593  -7.388
  316    HG2  GLN  44           2HG      GLN  44 -13.896  10.925  -9.113
  317    HG3  GLN  44           1HG      GLN  44 -14.919   9.663  -9.798
  318   HE21  GLN  44          1HE2      GLN  44 -16.890   9.065  -8.344
  319   HE22  GLN  44          2HE2      GLN  44 -17.647  10.346  -7.527
  320    H    PHE  45           H        PHE  45 -10.527   9.724  -6.160
  321    HA   PHE  45           HA       PHE  45 -10.477   7.052  -5.191
  322    HB2  PHE  45           2HB      PHE  45  -8.638   9.222  -5.455
  323    HB3  PHE  45           1HB      PHE  45  -8.550   8.601  -3.807
  324    HD1  PHE  45           1HD      PHE  45  -8.784   7.352  -7.335
  325    HD2  PHE  45           2HD      PHE  45  -7.206   6.737  -3.389
  326    HE1  PHE  45           1HE      PHE  45  -7.504   5.393  -8.152
  327    HE2  PHE  45           2HE      PHE  45  -5.928   4.776  -4.207
  328    HZ   PHE  45           HZ       PHE  45  -6.079   4.101  -6.585
  329    HA   PRO  46           HA       PRO  46 -11.164   9.087  -0.916
  330    HB2  PRO  46           2HB      PRO  46 -12.885  11.394  -1.455
  331    HB3  PRO  46           1HB      PRO  46 -11.383  11.318  -0.520
  332    HG2  PRO  46           2HG      PRO  46 -11.599  12.565  -2.921
  333    HG3  PRO  46           1HG      PRO  46 -10.093  11.871  -2.302
  334    HD2  PRO  46           2HD      PRO  46 -11.948  10.788  -4.385
  335    HD3  PRO  46           1HD      PRO  46 -10.178  10.655  -4.266
  336    H    ILE  47           H        ILE  47 -12.535   7.575  -0.260
  337    HA   ILE  47           HA       ILE  47 -15.379   7.947  -0.384
  338    HB   ILE  47           HB       ILE  47 -15.732   5.627  -1.450
  339   HG12  ILE  47          2HG1      ILE  47 -13.137   6.142  -2.852
  340   HG13  ILE  47          1HG1      ILE  47 -13.117   5.302  -1.304
  341   HG21  ILE  47          1HG2      ILE  47 -14.601   7.512  -3.493
  342   HG22  ILE  47          2HG2      ILE  47 -16.013   8.016  -2.562
  343   HG23  ILE  47          3HG2      ILE  47 -16.081   6.562  -3.552
  344   HD11  ILE  47          3HD1      ILE  47 -13.256   3.696  -3.168
  345   HD12  ILE  47          1HD1      ILE  47 -14.724   4.487  -3.745
  346   HD13  ILE  47          2HD1      ILE  47 -14.725   3.648  -2.195
  347    H    ASN  48           H        ASN  48 -16.410   5.742   0.515
  348    HA   ASN  48           HA       ASN  48 -15.421   5.415   3.114
  349    HB2  ASN  48           2HB      ASN  48 -17.750   4.833   2.163
  350    HB3  ASN  48           1HB      ASN  48 -17.025   3.290   1.709
  351   HD21  ASN  48          1HD2      ASN  48 -15.313   4.149   4.388
  352   HD22  ASN  48          2HD2      ASN  48 -16.262   3.417   5.589
  353    H    ILE  49           H        ILE  49 -13.262   4.874   3.222
  354    HA   ILE  49           HA       ILE  49 -12.048   2.843   1.664
  355    HB   ILE  49           HB       ILE  49 -11.207   4.124   4.264
  356   HG12  ILE  49          2HG1      ILE  49 -10.139   4.484   1.447
  357   HG13  ILE  49          1HG1      ILE  49 -11.377   5.527   2.145
  358   HG21  ILE  49          1HG2      ILE  49  -8.911   3.183   3.337
  359   HG22  ILE  49          2HG2      ILE  49  -9.955   2.009   2.540
  360   HG23  ILE  49          3HG2      ILE  49  -9.969   2.149   4.297
  361   HD11  ILE  49          3HD1      ILE  49  -9.758   5.937   4.076
  362   HD12  ILE  49          1HD1      ILE  49  -9.294   6.634   2.526
  363   HD13  ILE  49          2HD1      ILE  49  -8.527   5.150   3.089
  364    H    VAL  50           H        VAL  50 -13.541   2.877   4.838
  365    HA   VAL  50           HA       VAL  50 -12.709   0.342   5.726
  366    HB   VAL  50           HB       VAL  50 -15.052   2.099   6.397
  367   HG11  VAL  50          1HG1      VAL  50 -16.039   0.005   6.788
  368   HG12  VAL  50          2HG1      VAL  50 -15.298   0.374   8.345
  369   HG13  VAL  50          3HG1      VAL  50 -14.505  -0.742   7.232
  370   HG21  VAL  50          3HG2      VAL  50 -13.850   2.234   8.548
  371   HG22  VAL  50          1HG2      VAL  50 -12.791   2.697   7.215
  372   HG23  VAL  50          2HG2      VAL  50 -12.640   1.099   7.948
  373    H    ALA  51           H        ALA  51 -15.716   1.263   4.012
  374    HA   ALA  51           HA       ALA  51 -16.706  -1.421   3.966
  375    HB1  ALA  51           1HB      ALA  51 -17.570   0.759   2.078
  376    HB2  ALA  51           2HB      ALA  51 -18.030   0.791   3.781
  377    HB3  ALA  51           3HB      ALA  51 -18.530  -0.554   2.758
  378    H    VAL  52           H        VAL  52 -14.807   0.568   1.882
  379    HA   VAL  52           HA       VAL  52 -14.992  -0.664  -0.552
  380    HB   VAL  52           HB       VAL  52 -13.134   1.017   0.892
  381   HG11  VAL  52          1HG1      VAL  52 -11.404  -0.524   0.461
  382   HG12  VAL  52          2HG1      VAL  52 -11.289   0.677  -0.816
  383   HG13  VAL  52          3HG1      VAL  52 -12.012  -0.889  -1.157
  384   HG21  VAL  52          3HG2      VAL  52 -14.731   1.779  -0.794
  385   HG22  VAL  52          1HG2      VAL  52 -13.921   0.800  -2.018
  386   HG23  VAL  52          2HG2      VAL  52 -13.078   2.163  -1.281
  387    H    LYS  53           H        LYS  53 -12.497  -1.451   1.896
  388    HA   LYS  53           HA       LYS  53 -11.399  -3.657   0.659
  389    HB2  LYS  53           2HB      LYS  53 -10.681  -4.399   2.863
  390    HB3  LYS  53           1HB      LYS  53 -10.540  -2.645   2.744
  391    HG2  LYS  53           2HG      LYS  53 -13.139  -3.037   3.627
  392    HG3  LYS  53           1HG      LYS  53 -12.215  -4.247   4.515
  393    HD2  LYS  53           2HD      LYS  53 -11.564  -1.286   4.369
  394    HD3  LYS  53           1HD      LYS  53 -12.276  -2.111   5.755
  395    HE2  LYS  53           2HE      LYS  53 -10.116  -2.323   6.437
  396    HE3  LYS  53           1HE      LYS  53 -10.086  -3.673   5.304
  397    HZ1  LYS  53           3HZ      LYS  53  -8.959  -2.467   3.749
  398    HZ2  LYS  53           1HZ      LYS  53  -8.333  -1.761   5.159
  399    HZ3  LYS  53           2HZ      LYS  53  -9.562  -0.973   4.289
  400    H    ASN  54           H        ASN  54 -14.502  -3.362   2.183
  401    HA   ASN  54           HA       ASN  54 -14.926  -6.264   2.186
  402    HB2  ASN  54           2HB      ASN  54 -16.887  -4.101   2.966
  403    HB3  ASN  54           1HB      ASN  54 -16.947  -5.812   3.386
  404   HD21  ASN  54          1HD2      ASN  54 -16.446  -3.033   4.918
  405   HD22  ASN  54          2HD2      ASN  54 -15.196  -3.458   5.984
  406    H    ASP  55           H        ASP  55 -15.396  -3.561   0.200
  407    HA   ASP  55           HA       ASP  55 -17.593  -4.816  -1.305
  408    HB2  ASP  55           2HB      ASP  55 -16.303  -2.125  -1.775
  409    HB3  ASP  55           1HB      ASP  55 -17.796  -2.721  -2.486
  410    H    HIS  56           H        HIS  56 -14.600  -3.093  -2.217
  411    HA   HIS  56           HA       HIS  56 -14.336  -4.126  -4.773
  412    HB2  HIS  56           2HB      HIS  56 -12.603  -2.788  -2.846
  413    HB3  HIS  56           1HB      HIS  56 -11.717  -3.909  -3.879
  414    HD2  HIS  56           2HD      HIS  56 -11.158  -2.856  -6.375
  415    HE1  HIS  56           1HE      HIS  56 -14.041   0.228  -6.379
  416    HE2  HIS  56           2HE      HIS  56 -12.122  -0.812  -7.679
  417    H    ASP  57           H        ASP  57 -14.237  -5.823  -1.878
  418    HA   ASP  57           HA       ASP  57 -13.646  -7.964  -1.300
  419    HB2  ASP  57           2HB      ASP  57 -15.123  -8.342  -3.330
  420    HB3  ASP  57           1HB      ASP  57 -13.639  -8.510  -4.268
  421    H    PHE  58           H        PHE  58 -11.564  -7.307  -0.555
  422    HA   PHE  58           HA       PHE  58  -9.255  -7.040  -2.089
  423    HB2  PHE  58           2HB      PHE  58  -8.026  -7.399  -0.057
  424    HB3  PHE  58           1HB      PHE  58  -9.501  -6.527   0.364
  425    HD1  PHE  58           2HD      PHE  58  -7.774  -9.785   0.479
  426    HD2  PHE  58           1HD      PHE  58 -11.296  -7.601   1.604
  427    HE1  PHE  58           2HE      PHE  58  -8.412 -11.613   2.030
  428    HE2  PHE  58           1HE      PHE  58 -11.934  -9.430   3.154
  429    HZ   PHE  58           HZ       PHE  58 -10.492 -11.435   3.365
  430    H    LEU  59           H        LEU  59  -7.534  -8.492  -2.547
  431    HA   LEU  59           HA       LEU  59  -8.428 -11.122  -3.323
  432    HB2  LEU  59           2HB      LEU  59  -6.468  -9.369  -4.215
  433    HB3  LEU  59           1HB      LEU  59  -5.550 -10.668  -3.459
  434    HG   LEU  59           HG       LEU  59  -7.016 -12.293  -4.774
  435   HD11  LEU  59          1HD1      LEU  59  -8.621 -11.516  -6.163
  436   HD12  LEU  59          2HD1      LEU  59  -7.539 -10.301  -6.846
  437   HD13  LEU  59          3HD1      LEU  59  -8.425  -9.960  -5.359
  438   HD21  LEU  59          3HD2      LEU  59  -5.689 -11.998  -6.833
  439   HD22  LEU  59          1HD2      LEU  59  -4.686 -11.755  -5.403
  440   HD23  LEU  59          2HD2      LEU  59  -5.259 -10.365  -6.324
  441    H    GLU  60           H        GLU  60  -5.555 -10.133  -1.449
  442    HA   GLU  60           HA       GLU  60  -5.892 -12.574   0.191
  443    HB2  GLU  60           2HB      GLU  60  -3.290 -11.230   0.314
  444    HB3  GLU  60           1HB      GLU  60  -3.668 -12.934   0.055
  445    HG2  GLU  60           2HG      GLU  60  -4.349 -12.334  -2.302
  446    HG3  GLU  60           1HG      GLU  60  -3.712 -10.718  -2.007
  447    H    LYS  61           H        LYS  61  -5.683 -12.428   2.431
  448    HA   LYS  61           HA       LYS  61  -6.746 -10.233   3.724
  449    HB2  LYS  61           2HB      LYS  61  -6.067 -12.694   4.540
  450    HB3  LYS  61           1HB      LYS  61  -4.708 -11.798   5.223
  451    HG2  LYS  61           2HG      LYS  61  -7.646 -11.186   5.671
  452    HG3  LYS  61           1HG      LYS  61  -6.545 -11.904   6.848
  453    HD2  LYS  61           2HD      LYS  61  -5.091  -9.779   6.430
  454    HD3  LYS  61           1HD      LYS  61  -6.576  -9.094   5.768
  455    HE2  LYS  61           2HE      LYS  61  -7.620 -10.050   8.012
  456    HE3  LYS  61           1HE      LYS  61  -5.955  -9.914   8.580
  457    HZ1  LYS  61           3HZ      LYS  61  -6.033  -7.689   8.542
  458    HZ2  LYS  61           1HZ      LYS  61  -7.714  -7.904   8.599
  459    HZ3  LYS  61           2HZ      LYS  61  -6.946  -7.627   7.109
  460    H    ASP  62           H        ASP  62  -3.297 -11.062   3.371
  461    HA   ASP  62           HA       ASP  62  -2.303  -8.771   4.707
  462    HB2  ASP  62           2HB      ASP  62  -0.351  -9.820   4.373
  463    HB3  ASP  62           1HB      ASP  62  -1.220 -11.053   3.461
  464    H    LEU  63           H        LEU  63  -4.054  -8.965   1.913
  465    HA   LEU  63           HA       LEU  63  -2.705  -6.701   0.615
  466    HB2  LEU  63           2HB      LEU  63  -3.835  -8.984  -0.441
  467    HB3  LEU  63           1HB      LEU  63  -5.101  -7.780  -0.679
  468    HG   LEU  63           HG       LEU  63  -3.395  -6.267  -1.722
  469   HD11  LEU  63          1HD1      LEU  63  -1.213  -6.754  -1.449
  470   HD12  LEU  63          2HD1      LEU  63  -1.438  -8.180  -2.461
  471   HD13  LEU  63          3HD1      LEU  63  -1.619  -8.303  -0.712
  472   HD21  LEU  63          3HD2      LEU  63  -3.013  -8.520  -3.481
  473   HD22  LEU  63          1HD2      LEU  63  -4.093  -7.139  -3.679
  474   HD23  LEU  63          2HD2      LEU  63  -4.641  -8.572  -2.808
  475    H    VAL  64           H        VAL  64  -4.909  -7.107   2.966
  476    HA   VAL  64           HA       VAL  64  -6.846  -5.125   2.051
  477    HB   VAL  64           HB       VAL  64  -6.575  -6.653   4.650
  478   HG11  VAL  64          1HG1      VAL  64  -8.505  -4.533   3.715
  479   HG12  VAL  64          2HG1      VAL  64  -7.662  -4.649   5.260
  480   HG13  VAL  64          3HG1      VAL  64  -8.995  -5.746   4.898
  481   HG21  VAL  64          3HG2      VAL  64  -8.940  -6.937   2.899
  482   HG22  VAL  64          1HG2      VAL  64  -8.012  -8.176   3.745
  483   HG23  VAL  64          2HG2      VAL  64  -7.434  -7.538   2.207
  484    H    GLU  65           H        GLU  65  -4.360  -5.478   4.558
  485    HA   GLU  65           HA       GLU  65  -4.646  -2.985   5.783
  486    HB2  GLU  65           2HB      GLU  65  -2.585  -5.073   5.662
  487    HB3  GLU  65           1HB      GLU  65  -1.956  -3.453   5.969
  488    HG2  GLU  65           2HG      GLU  65  -3.504  -3.173   7.840
  489    HG3  GLU  65           1HG      GLU  65  -4.222  -4.750   7.509
  490    HA   PRO  66           HA       PRO  66  -1.175  -1.191   2.898
  491    HB2  PRO  66           2HB      PRO  66  -0.915  -2.634   0.507
  492    HB3  PRO  66           1HB      PRO  66   0.219  -2.664   1.870
  493    HG2  PRO  66           2HG      PRO  66  -1.916  -4.580   1.138
  494    HG3  PRO  66           1HG      PRO  66  -0.333  -4.877   1.876
  495    HD2  PRO  66           2HD      PRO  66  -2.609  -4.967   3.320
  496    HD3  PRO  66           1HD      PRO  66  -1.088  -4.372   4.015
  497    H    LEU  67           H        LEU  67  -3.865  -2.929   1.349
  498    HA   LEU  67           HA       LEU  67  -4.360  -1.113  -0.738
  499    HB2  LEU  67           2HB      LEU  67  -5.406  -3.300  -0.718
  500    HB3  LEU  67           1HB      LEU  67  -6.267  -2.917   0.773
  501    HG   LEU  67           HG       LEU  67  -6.689  -0.937  -1.355
  502   HD11  LEU  67          1HD1      LEU  67  -7.569  -3.812  -1.730
  503   HD12  LEU  67          2HD1      LEU  67  -6.548  -2.869  -2.816
  504   HD13  LEU  67          3HD1      LEU  67  -8.250  -2.449  -2.618
  505   HD21  LEU  67          3HD2      LEU  67  -7.940  -1.160   0.831
  506   HD22  LEU  67          1HD2      LEU  67  -8.634  -2.658   0.211
  507   HD23  LEU  67          2HD2      LEU  67  -8.979  -1.128  -0.593
  508    H    CYS  68           H        CYS  68  -5.715  -1.287   2.547
  509    HA   CYS  68           HA       CYS  68  -7.303   1.082   2.242
  510    HB2  CYS  68           2HB      CYS  68  -8.230   0.278   4.114
  511    HB3  CYS  68           1HB      CYS  68  -6.998  -0.982   4.174
  512    HG   CYS  68           HG       CYS  68  -5.549   1.181   5.331
  513    H    ARG  69           H        ARG  69  -3.998   0.477   2.881
  514    HA   ARG  69           HA       ARG  69  -3.494   2.917   4.345
  515    HB2  ARG  69           2HB      ARG  69  -2.133   0.803   4.569
  516    HB3  ARG  69           1HB      ARG  69  -1.491   1.129   2.958
  517    HG2  ARG  69           2HG      ARG  69  -1.245   3.560   4.333
  518    HG3  ARG  69           1HG      ARG  69  -0.753   2.327   5.497
  519    HD2  ARG  69           2HD      ARG  69   0.369   2.805   2.729
  520    HD3  ARG  69           1HD      ARG  69   1.217   2.929   4.268
  521    HE   ARG  69           HE       ARG  69   0.469   0.353   4.296
  522   HH11  ARG  69          1HH2      ARG  69   1.853   2.342   1.825
  523   HH12  ARG  69          2HH2      ARG  69   2.685   1.036   1.048
  524   HH21  ARG  69          1HH1      ARG  69   1.558  -1.363   3.281
  525   HH22  ARG  69          2HH1      ARG  69   2.518  -1.060   1.872
  526    H    ARG  70           H        ARG  70  -2.776   1.714   1.063
  527    HA   ARG  70           HA       ARG  70  -1.621   4.138   0.148
  528    HB2  ARG  70           2HB      ARG  70  -2.939   1.914  -1.429
  529    HB3  ARG  70           1HB      ARG  70  -1.931   3.185  -2.109
  530    HG2  ARG  70           2HG      ARG  70  -1.027   1.166  -0.039
  531    HG3  ARG  70           1HG      ARG  70  -0.646   1.095  -1.753
  532    HD2  ARG  70           2HD      ARG  70   0.194   3.603  -1.214
  533    HD3  ARG  70           1HD      ARG  70   0.448   2.870   0.365
  534    HE   ARG  70           HE       ARG  70   1.610   1.063  -1.240
  535   HH11  ARG  70          1HH2      ARG  70   1.744   4.520  -1.161
  536   HH12  ARG  70          2HH2      ARG  70   3.356   4.608  -1.787
  537   HH21  ARG  70          1HH1      ARG  70   3.724   1.172  -2.062
  538   HH22  ARG  70          2HH1      ARG  70   4.476   2.713  -2.296
  539    H    LEU  71           H        LEU  71  -4.886   2.757  -0.360
  540    HA   LEU  71           HA       LEU  71  -5.983   4.787  -1.875
  541    HB2  LEU  71           2HB      LEU  71  -7.203   3.018   0.238
  542    HB3  LEU  71           1HB      LEU  71  -8.173   4.183  -0.658
  543    HG   LEU  71           HG       LEU  71  -6.386   2.234  -2.115
  544   HD11  LEU  71          1HD1      LEU  71  -7.857   0.935  -0.576
  545   HD12  LEU  71          2HD1      LEU  71  -8.260   0.672  -2.272
  546   HD13  LEU  71          3HD1      LEU  71  -9.259   1.738  -1.282
  547   HD21  LEU  71          3HD2      LEU  71  -9.024   2.946  -3.196
  548   HD22  LEU  71          1HD2      LEU  71  -7.444   3.006  -3.975
  549   HD23  LEU  71          2HD2      LEU  71  -7.980   4.343  -2.956
  550    H    ASN  72           H        ASN  72  -5.612   4.622   1.645
  551    HA   ASN  72           HA       ASN  72  -6.987   6.945   2.350
  552    HB2  ASN  72           2HB      ASN  72  -6.364   5.998   4.299
  553    HB3  ASN  72           1HB      ASN  72  -4.964   5.214   3.568
  554   HD21  ASN  72          1HD2      ASN  72  -3.031   5.971   4.423
  555   HD22  ASN  72          2HD2      ASN  72  -2.766   7.548   4.993
  556    H    THR  73           H        THR  73  -3.623   6.511   1.315
  557    HA   THR  73           HA       THR  73  -2.788   9.179   1.673
  558    HB   THR  73           HB       THR  73  -1.794   7.227  -0.415
  559    HG1  THR  73           1HG      THR  73  -0.562   6.376   1.151
  560   HG21  THR  73          3HG2      THR  73   0.187   8.887   0.851
  561   HG22  THR  73          1HG2      THR  73  -1.105   9.900   0.205
  562   HG23  THR  73          2HG2      THR  73  -0.241   8.788  -0.857
  563    H    LEU  74           H        LEU  74  -3.584   7.545  -1.407
  564    HA   LEU  74           HA       LEU  74  -3.658   9.813  -3.004
  565    HB2  LEU  74           2HB      LEU  74  -4.926   7.114  -3.147
  566    HB3  LEU  74           1HB      LEU  74  -5.504   8.351  -4.261
  567    HG   LEU  74           HG       LEU  74  -2.589   7.590  -3.917
  568   HD11  LEU  74          1HD1      LEU  74  -2.838   6.431  -6.078
  569   HD12  LEU  74          2HD1      LEU  74  -4.561   6.810  -6.081
  570   HD13  LEU  74          3HD1      LEU  74  -3.899   5.728  -4.858
  571   HD21  LEU  74          3HD2      LEU  74  -3.984   9.731  -5.321
  572   HD22  LEU  74          1HD2      LEU  74  -3.049   8.736  -6.434
  573   HD23  LEU  74          2HD2      LEU  74  -2.256   9.511  -5.064
  574    H    ASN  75           H        ASN  75  -6.251   8.348  -1.077
  575    HA   ASN  75           HA       ASN  75  -8.407   9.896  -1.862
  576    HB2  ASN  75           2HB      ASN  75  -7.667   8.772   0.841
  577    HB3  ASN  75           1HB      ASN  75  -9.201   9.586   0.540
  578   HD21  ASN  75          1HD2      ASN  75 -10.113   7.353   1.081
  579   HD22  ASN  75          2HD2      ASN  75 -10.206   6.215  -0.172
  580    H    LYS  76           H        LYS  76  -5.624  10.784   0.011
  581    HA   LYS  76           HA       LYS  76  -6.825  13.317   0.857
  582    HB2  LYS  76           2HB      LYS  76  -4.972  11.641   2.034
  583    HB3  LYS  76           1HB      LYS  76  -3.970  12.940   1.383
  584    HG2  LYS  76           2HG      LYS  76  -5.603  14.574   2.450
  585    HG3  LYS  76           1HG      LYS  76  -6.309  13.192   3.287
  586    HD2  LYS  76           2HD      LYS  76  -3.414  14.083   3.452
  587    HD3  LYS  76           1HD      LYS  76  -4.630  14.270   4.716
  588    HE2  LYS  76           2HE      LYS  76  -3.614  12.303   5.411
  589    HE3  LYS  76           1HE      LYS  76  -4.896  11.652   4.392
  590    HZ1  LYS  76           3HZ      LYS  76  -2.557  12.332   2.898
  591    HZ2  LYS  76           1HZ      LYS  76  -3.422  10.874   2.944
  592    HZ3  LYS  76           2HZ      LYS  76  -2.224  11.188   4.108
  593    H    CYS  77           H        CYS  77  -4.431  12.036  -1.375
  594    HA   CYS  77           HA       CYS  77  -3.567  14.693  -2.196
  595    HB2  CYS  77           2HB      CYS  77  -1.740  13.614  -2.920
  596    HB3  CYS  77           1HB      CYS  77  -2.426  12.128  -2.261
  597    HG   CYS  77           HG       CYS  77  -2.074  12.633  -5.163
  598    H    ALA  78           H        ALA  78  -6.127  12.647  -2.899
  599    HA   ALA  78           HA       ALA  78  -6.389  12.966  -5.701
  600    HB1  ALA  78           1HB      ALA  78  -8.007  11.483  -5.255
  601    HB2  ALA  78           2HB      ALA  78  -8.975  12.804  -4.599
  602    HB3  ALA  78           3HB      ALA  78  -7.936  11.858  -3.533
  603    H    SER  79           H        SER  79  -6.854  15.126  -3.076
  604    HA   SER  79           HA       SER  79  -8.771  16.850  -4.342
  605    HB2  SER  79           2HB      SER  79  -8.791  17.903  -2.347
  606    HB3  SER  79           1HB      SER  79  -7.776  16.580  -1.782
  607    HG   SER  79           HG       SER  79  -7.106  19.017  -1.719
  608    H    MET  80           H        MET  80  -5.421  16.329  -4.698
  609    HA   MET  80           HA       MET  80  -3.738  17.485  -5.767
  610    HB2  MET  80           2HB      MET  80  -6.051  18.561  -7.396
  611    HB3  MET  80           1HB      MET  80  -4.367  18.425  -7.906
  612    HG2  MET  80           2HG      MET  80  -4.846  15.862  -7.147
  613    HG3  MET  80           1HG      MET  80  -6.452  16.332  -7.706
  614    HE1  MET  80           3HE      MET  80  -4.882  14.236 -10.569
  615    HE2  MET  80           1HE      MET  80  -6.475  14.670  -9.933
  616    HE3  MET  80           2HE      MET  80  -5.215  14.096  -8.845
  617    H    LYS  81           H        LYS  81  -4.819  20.133  -7.164
  618    HA   LYS  81           HA       LYS  81  -3.607  21.935  -5.380
  619    HB2  LYS  81           2HB      LYS  81  -5.255  22.146  -7.842
  620    HB3  LYS  81           1HB      LYS  81  -5.172  23.583  -6.820
  621    HG2  LYS  81           2HG      LYS  81  -3.362  23.549  -8.525
  622    HG3  LYS  81           1HG      LYS  81  -2.724  23.517  -6.880
  623    HD2  LYS  81           2HD      LYS  81  -2.020  21.323  -7.045
  624    HD3  LYS  81           1HD      LYS  81  -3.274  20.899  -8.212
  625    HE2  LYS  81           2HE      LYS  81  -2.108  21.997  -9.996
  626    HE3  LYS  81           1HE      LYS  81  -0.975  22.753  -8.874
  627    HZ1  LYS  81           3HZ      LYS  81  -1.095  19.876  -8.697
  628    HZ2  LYS  81           1HZ      LYS  81   0.252  20.905  -8.744
  629    HZ3  LYS  81           2HZ      LYS  81  -0.521  20.454 -10.187
  Start of MODEL   16
    1    H1   MET   1           1HT      MET   1   6.848 -22.224  23.019
    2    H2   MET   1           2HT      MET   1   7.791 -21.785  21.675
    3    H3   MET   1           3HT      MET   1   6.400 -20.893  22.069
    4    HA   MET   1           HA       MET   1   8.041 -20.927  24.328
    5    HB2  MET   1           2HB      MET   1   9.447 -20.715  21.725
    6    HB3  MET   1           1HB      MET   1   9.843 -19.469  22.908
    7    HG2  MET   1           2HG      MET   1  11.288 -21.550  23.033
    8    HG3  MET   1           1HG      MET   1  10.487 -21.111  24.542
    9    HE1  MET   1           2HE      MET   1  10.756 -23.480  21.557
   10    HE2  MET   1           3HE      MET   1  10.394 -24.982  22.405
   11    HE3  MET   1           1HE      MET   1  11.686 -23.923  22.984
   12    H    HIS   2           H        HIS   2   7.499 -19.039  21.340
   13    HA   HIS   2           HA       HIS   2   6.132 -16.995  22.957
   14    HB2  HIS   2           2HB      HIS   2   7.322 -15.207  21.766
   15    HB3  HIS   2           1HB      HIS   2   8.452 -16.229  22.651
   16    HD2  HIS   2           2HD      HIS   2   9.652 -14.735  19.995
   17    HE1  HIS   2           1HE      HIS   2   9.245 -18.483  18.096
   18    HE2  HIS   2           2HE      HIS   2  10.363 -16.208  17.960
   19    H    HIS   3           H        HIS   3   5.740 -15.169  20.874
   20    HA   HIS   3           HA       HIS   3   4.557 -16.563  18.621
   21    HB2  HIS   3           2HB      HIS   3   2.845 -16.736  20.456
   22    HB3  HIS   3           1HB      HIS   3   2.760 -14.975  20.463
   23    HD2  HIS   3           2HD      HIS   3   0.107 -16.657  19.409
   24    HE1  HIS   3           1HE      HIS   3   1.317 -15.399  15.564
   25    HE2  HIS   3           2HE      HIS   3  -0.619 -16.325  16.922
   26    H    HIS   4           H        HIS   4   5.669 -15.313  17.190
   27    HA   HIS   4           HA       HIS   4   5.778 -12.428  17.489
   28    HB2  HIS   4           2HB      HIS   4   7.359 -14.352  16.206
   29    HB3  HIS   4           1HB      HIS   4   6.634 -13.409  14.903
   30    HD2  HIS   4           2HD      HIS   4   7.492 -10.715  14.762
   31    HE1  HIS   4           1HE      HIS   4  10.225 -10.930  17.971
   32    HE2  HIS   4           2HE      HIS   4   9.401  -9.485  16.053
   33    H    HIS   5           H        HIS   5   5.580 -11.539  14.901
   34    HA   HIS   5           HA       HIS   5   3.990 -10.651  13.491
   35    HB2  HIS   5           2HB      HIS   5   3.648 -13.590  13.444
   36    HB3  HIS   5           1HB      HIS   5   2.310 -12.651  12.783
   37    HD2  HIS   5           2HD      HIS   5   6.170 -13.170  12.069
   38    HE1  HIS   5           1HE      HIS   5   4.418 -11.273   8.729
   39    HE2  HIS   5           2HE      HIS   5   6.549 -12.321   9.629
   40    H    HIS   6           H        HIS   6   3.044  -9.325  15.138
   41    HA   HIS   6           HA       HIS   6   0.605 -10.362  16.404
   42    HB2  HIS   6           2HB      HIS   6   2.361  -9.075  17.712
   43    HB3  HIS   6           1HB      HIS   6   1.868  -7.648  16.801
   44    HD2  HIS   6           2HD      HIS   6  -0.866  -6.810  17.311
   45    HE1  HIS   6           1HE      HIS   6  -1.286  -9.167  20.788
   46    HE2  HIS   6           2HE      HIS   6  -2.325  -7.295  19.422
   47    H    HIS   7           H        HIS   7   1.625  -8.475  13.745
   48    HA   HIS   7           HA       HIS   7   0.460  -7.345  12.118
   49    HB2  HIS   7           2HB      HIS   7  -1.179  -9.403  12.825
   50    HB3  HIS   7           1HB      HIS   7  -2.214  -8.016  13.169
   51    HD2  HIS   7           2HD      HIS   7  -3.010  -6.525  10.888
   52    HE1  HIS   7           1HE      HIS   7  -1.189  -9.057   8.042
   53    HE2  HIS   7           2HE      HIS   7  -2.770  -7.094   8.349
   54    H    SER   8           H        SER   8   1.131  -6.085  14.654
   55    HA   SER   8           HA       SER   8  -0.922  -4.495  15.702
   56    HB2  SER   8           2HB      SER   8   0.885  -4.181  17.029
   57    HB3  SER   8           1HB      SER   8   2.017  -4.477  15.714
   58    HG   SER   8           HG       SER   8   1.892  -2.392  15.123
   59    H    SER   9           H        SER   9  -1.960  -2.726  15.009
   60    HA   SER   9           HA       SER   9  -1.079  -1.519  12.455
   61    HB2  SER   9           2HB      SER   9  -3.657  -0.710  12.731
   62    HB3  SER   9           1HB      SER   9  -3.172  -2.163  11.861
   63    HG   SER   9           HG       SER   9  -3.999  -3.337  13.400
   64    H    GLY  10           H        GLY  10  -0.396   0.521  12.519
   65    HA2  GLY  10           2HA      GLY  10  -1.564   2.641  13.892
   66    HA3  GLY  10           1HA      GLY  10  -0.284   2.018  14.930
   67    H    LEU  11           H        LEU  11  -0.567   2.462  11.401
   68    HA   LEU  11           HA       LEU  11   2.086   3.733  11.413
   69    HB2  LEU  11           2HB      LEU  11   0.632   2.016   9.572
   70    HB3  LEU  11           1HB      LEU  11   1.244   3.461   8.768
   71    HG   LEU  11           HG       LEU  11   3.495   3.019   9.677
   72   HD11  LEU  11          1HD1      LEU  11   3.569   1.783  11.570
   73   HD12  LEU  11          2HD1      LEU  11   3.384   0.371  10.528
   74   HD13  LEU  11          3HD1      LEU  11   1.968   1.107  11.278
   75   HD21  LEU  11          3HD2      LEU  11   3.393   0.444   8.594
   76   HD22  LEU  11          1HD2      LEU  11   3.669   1.938   7.698
   77   HD23  LEU  11          2HD2      LEU  11   2.038   1.284   7.839
   78    H    VAL  12           H        VAL  12   2.122   5.880  11.507
   79    HA   VAL  12           HA       VAL  12   0.134   7.400   9.941
   80    HB   VAL  12           HB       VAL  12  -0.072   9.027  11.750
   81   HG11  VAL  12          1HG1      VAL  12  -1.659   7.811  12.857
   82   HG12  VAL  12          2HG1      VAL  12  -0.533   6.511  13.248
   83   HG13  VAL  12          3HG1      VAL  12  -1.267   6.589  11.647
   84   HG21  VAL  12          3HG2      VAL  12   1.700   9.129  13.162
   85   HG22  VAL  12          1HG2      VAL  12   2.188   7.474  12.798
   86   HG23  VAL  12          2HG2      VAL  12   0.940   7.778  14.006
   87    HA   PRO  13           HA       PRO  13   4.504   8.851   9.267
   88    HB2  PRO  13           2HB      PRO  13   4.701   8.273   6.620
   89    HB3  PRO  13           1HB      PRO  13   5.052   7.081   7.887
   90    HG2  PRO  13           2HG      PRO  13   2.653   7.361   6.166
   91    HG3  PRO  13           1HG      PRO  13   3.440   5.899   6.783
   92    HD2  PRO  13           2HD      PRO  13   1.136   7.045   7.859
   93    HD3  PRO  13           1HD      PRO  13   2.206   5.912   8.714
   94    H    ARG  14           H        ARG  14   5.226  10.661   7.907
   95    HA   ARG  14           HA       ARG  14   3.184  12.087   6.388
   96    HB2  ARG  14           2HB      ARG  14   3.334  14.120   7.688
   97    HB3  ARG  14           1HB      ARG  14   2.872  12.800   8.764
   98    HG2  ARG  14           2HG      ARG  14   4.603  13.474  10.059
   99    HG3  ARG  14           1HG      ARG  14   5.635  12.712   8.849
  100    HD2  ARG  14           2HD      ARG  14   6.457  14.940   9.096
  101    HD3  ARG  14           1HD      ARG  14   5.562  14.917   7.580
  102    HE   ARG  14           HE       ARG  14   3.769  15.680   9.586
  103   HH11  ARG  14          1HH2      ARG  14   6.691  16.786   8.098
  104   HH12  ARG  14          2HH2      ARG  14   6.341  18.465   8.341
  105   HH21  ARG  14          1HH1      ARG  14   3.303  17.879   9.906
  106   HH22  ARG  14          2HH1      ARG  14   4.424  19.084   9.365
  107    H    GLY  15           H        GLY  15   4.036  13.719   5.038
  108    HA2  GLY  15           2HA      GLY  15   5.806  15.049   4.156
  109    HA3  GLY  15           1HA      GLY  15   6.964  14.002   4.970
  110    H    SER  16           H        SER  16   6.174  11.504   4.183
  111    HA   SER  16           HA       SER  16   7.025  11.494   1.401
  112    HB2  SER  16           2HB      SER  16   6.558   8.868   2.122
  113    HB3  SER  16           1HB      SER  16   8.102   9.704   2.238
  114    HG   SER  16           HG       SER  16   7.912   9.602   4.318
  115    H    GLN  17           H        GLN  17   4.137  11.967   2.766
  116    HA   GLN  17           HA       GLN  17   2.332  10.131   1.763
  117    HB2  GLN  17           2HB      GLN  17   1.923  12.254   3.182
  118    HB3  GLN  17           1HB      GLN  17   1.783  13.088   1.633
  119    HG2  GLN  17           2HG      GLN  17   0.173  11.039   1.083
  120    HG3  GLN  17           1HG      GLN  17  -0.001  11.014   2.836
  121   HE21  GLN  17          1HE2      GLN  17  -1.420  12.298   0.123
  122   HE22  GLN  17          2HE2      GLN  17  -2.095  13.701   0.797
  123    H    GLU  18           H        GLU  18   4.351  12.312   0.037
  124    HA   GLU  18           HA       GLU  18   2.782  12.488  -2.355
  125    HB2  GLU  18           2HB      GLU  18   5.630  13.115  -1.635
  126    HB3  GLU  18           1HB      GLU  18   5.111  13.135  -3.321
  127    HG2  GLU  18           2HG      GLU  18   3.628  14.636  -1.157
  128    HG3  GLU  18           1HG      GLU  18   4.949  15.361  -2.071
  129    H    ILE  19           H        ILE  19   5.909  10.854  -1.788
  130    HA   ILE  19           HA       ILE  19   5.986   9.312  -4.074
  131    HB   ILE  19           HB       ILE  19   6.956   8.651  -1.287
  132   HG12  ILE  19          2HG1      ILE  19   8.766   9.292  -3.558
  133   HG13  ILE  19          1HG1      ILE  19   7.794  10.626  -2.938
  134   HG21  ILE  19          1HG2      ILE  19   7.121   7.165  -3.878
  135   HG22  ILE  19          2HG2      ILE  19   6.996   6.540  -2.235
  136   HG23  ILE  19          3HG2      ILE  19   8.537   7.162  -2.826
  137   HD11  ILE  19          3HD1      ILE  19  10.096  10.228  -1.837
  138   HD12  ILE  19          1HD1      ILE  19   9.346   8.822  -1.082
  139   HD13  ILE  19          2HD1      ILE  19   8.711  10.437  -0.765
  140    H    GLU  20           H        GLU  20   4.014   8.927  -1.243
  141    HA   GLU  20           HA       GLU  20   3.295   6.201  -1.595
  142    HB2  GLU  20           2HB      GLU  20   2.050   8.528  -0.147
  143    HB3  GLU  20           1HB      GLU  20   1.220   6.974  -0.249
  144    HG2  GLU  20           2HG      GLU  20   3.200   5.858   0.725
  145    HG3  GLU  20           1HG      GLU  20   4.013   7.416   0.847
  146    H    ALA  21           H        ALA  21   2.166   9.205  -2.976
  147    HA   ALA  21           HA       ALA  21  -0.264   8.204  -4.058
  148    HB1  ALA  21           1HB      ALA  21   0.496  10.668  -3.765
  149    HB2  ALA  21           2HB      ALA  21  -0.470  10.242  -5.180
  150    HB3  ALA  21           3HB      ALA  21   1.278  10.442  -5.331
  151    H    LYS  22           H        LYS  22   2.726   9.095  -5.803
  152    HA   LYS  22           HA       LYS  22   2.096   7.904  -8.222
  153    HB2  LYS  22           2HB      LYS  22   4.114   9.361  -7.681
  154    HB3  LYS  22           1HB      LYS  22   4.879   7.904  -7.050
  155    HG2  LYS  22           2HG      LYS  22   5.552   7.489  -9.164
  156    HG3  LYS  22           1HG      LYS  22   3.875   7.074  -9.503
  157    HD2  LYS  22           2HD      LYS  22   5.010   9.881  -9.743
  158    HD3  LYS  22           1HD      LYS  22   4.839   8.765 -11.094
  159    HE2  LYS  22           2HE      LYS  22   2.602   9.873  -9.372
  160    HE3  LYS  22           1HE      LYS  22   2.904  10.222 -11.073
  161    HZ1  LYS  22           3HZ      LYS  22   1.504   8.042  -9.921
  162    HZ2  LYS  22           1HZ      LYS  22   2.785   7.476 -10.878
  163    HZ3  LYS  22           2HZ      LYS  22   1.615   8.506 -11.552
  164    H    GLU  23           H        GLU  23   3.408   6.438  -5.299
  165    HA   GLU  23           HA       GLU  23   3.893   3.882  -6.511
  166    HB2  GLU  23           2HB      GLU  23   3.827   4.927  -3.697
  167    HB3  GLU  23           1HB      GLU  23   3.841   3.187  -3.985
  168    HG2  GLU  23           2HG      GLU  23   5.841   5.072  -5.250
  169    HG3  GLU  23           1HG      GLU  23   6.130   4.266  -3.711
  170    H    ALA  24           H        ALA  24   1.433   5.133  -4.272
  171    HA   ALA  24           HA       ALA  24  -0.220   3.048  -3.897
  172    HB1  ALA  24           1HB      ALA  24  -2.125   4.853  -4.286
  173    HB2  ALA  24           2HB      ALA  24  -0.748   5.946  -4.364
  174    HB3  ALA  24           3HB      ALA  24  -1.020   4.981  -2.918
  175    H    CYS  25           H        CYS  25  -0.332   5.123  -6.817
  176    HA   CYS  25           HA       CYS  25  -2.313   3.496  -8.089
  177    HB2  CYS  25           2HB      CYS  25  -2.319   5.105  -9.706
  178    HB3  CYS  25           1HB      CYS  25  -1.481   6.031  -8.461
  179    HG   CYS  25           HG       CYS  25   0.493   4.441 -10.126
  180    H    ASP  26           H        ASP  26   1.212   3.668  -8.179
  181    HA   ASP  26           HA       ASP  26   1.447   1.834 -10.400
  182    HB2  ASP  26           2HB      ASP  26   3.125   3.664  -9.580
  183    HB3  ASP  26           1HB      ASP  26   3.675   2.406  -8.476
  184    H    TRP  27           H        TRP  27   0.857   1.534  -7.076
  185    HA   TRP  27           HA       TRP  27   2.003  -1.153  -6.878
  186    HB2  TRP  27           2HB      TRP  27   2.262   0.415  -4.981
  187    HB3  TRP  27           1HB      TRP  27   0.508   0.493  -4.820
  188    HD1  TRP  27           HD       TRP  27   3.448  -1.935  -4.429
  189    HE1  TRP  27           1HE      TRP  27   2.703  -3.889  -2.921
  190    HE3  TRP  27           3HE      TRP  27  -1.510  -0.826  -3.934
  191    HZ2  TRP  27           2HZ      TRP  27   0.317  -4.853  -1.671
  192    HZ3  TRP  27           3HZ      TRP  27  -2.996  -2.276  -2.582
  193    HH2  TRP  27           HH       TRP  27  -2.089  -4.285  -1.450
  194    H    LEU  28           H        LEU  28  -1.166   0.435  -6.424
  195    HA   LEU  28           HA       LEU  28  -2.782  -1.732  -5.994
  196    HB2  LEU  28           2HB      LEU  28  -3.246   0.769  -7.614
  197    HB3  LEU  28           1HB      LEU  28  -4.518  -0.430  -7.392
  198    HG   LEU  28           HG       LEU  28  -3.015   0.611  -5.004
  199   HD11  LEU  28          1HD1      LEU  28  -5.205   2.176  -4.962
  200   HD12  LEU  28          2HD1      LEU  28  -4.966   2.078  -6.706
  201   HD13  LEU  28          3HD1      LEU  28  -3.681   2.703  -5.675
  202   HD21  LEU  28          3HD2      LEU  28  -4.717  -0.349  -3.813
  203   HD22  LEU  28          1HD2      LEU  28  -4.951  -1.298  -5.280
  204   HD23  LEU  28          2HD2      LEU  28  -5.941   0.130  -4.989
  205    H    ARG  29           H        ARG  29  -1.096  -0.859  -8.896
  206    HA   ARG  29           HA       ARG  29  -2.576  -2.608 -10.650
  207    HB2  ARG  29           2HB      ARG  29  -0.273  -0.762 -10.858
  208    HB3  ARG  29           1HB      ARG  29  -0.243  -2.137 -11.962
  209    HG2  ARG  29           2HG      ARG  29  -2.220  -1.494 -13.028
  210    HG3  ARG  29           1HG      ARG  29  -2.767  -0.530 -11.653
  211    HD2  ARG  29           2HD      ARG  29  -0.221   0.300 -12.950
  212    HD3  ARG  29           1HD      ARG  29  -1.706   0.587 -13.854
  213    HE   ARG  29           HE       ARG  29  -1.838   1.473 -11.106
  214   HH11  ARG  29          1HH2      ARG  29  -0.896   2.232 -14.347
  215   HH12  ARG  29          2HH2      ARG  29  -1.014   3.946 -14.126
  216   HH21  ARG  29          1HH1      ARG  29  -1.996   3.717 -10.810
  217   HH22  ARG  29          2HH1      ARG  29  -1.635   4.787 -12.122
  218    H    ALA  30           H        ALA  30   0.351  -2.786  -8.717
  219    HA   ALA  30           HA       ALA  30   1.062  -5.392  -9.818
  220    HB1  ALA  30           1HB      ALA  30   2.859  -3.809  -9.295
  221    HB2  ALA  30           2HB      ALA  30   2.987  -5.245  -8.279
  222    HB3  ALA  30           3HB      ALA  30   2.332  -3.750  -7.613
  223    H    ALA  31           H        ALA  31  -1.071  -4.260  -7.545
  224    HA   ALA  31           HA       ALA  31  -0.709  -6.463  -5.656
  225    HB1  ALA  31           1HB      ALA  31  -1.741  -5.122  -4.178
  226    HB2  ALA  31           2HB      ALA  31  -3.083  -4.820  -5.282
  227    HB3  ALA  31           3HB      ALA  31  -1.615  -3.849  -5.391
  228    H    GLY  32           H        GLY  32  -2.404  -5.785  -8.512
  229    HA2  GLY  32           2HA      GLY  32  -3.644  -7.437  -9.686
  230    HA3  GLY  32           1HA      GLY  32  -4.029  -8.205  -8.150
  231    H    PHE  33           H        PHE  33  -4.328  -4.829  -8.060
  232    HA   PHE  33           HA       PHE  33  -7.201  -4.922  -8.717
  233    HB2  PHE  33           2HB      PHE  33  -6.150  -3.518  -6.263
  234    HB3  PHE  33           1HB      PHE  33  -7.827  -3.858  -6.691
  235    HD1  PHE  33           2HD      PHE  33  -8.146  -6.529  -7.311
  236    HD2  PHE  33           1HD      PHE  33  -5.308  -4.860  -4.551
  237    HE1  PHE  33           2HE      PHE  33  -8.019  -8.702  -6.127
  238    HE2  PHE  33           1HE      PHE  33  -5.182  -7.034  -3.367
  239    HZ   PHE  33           HZ       PHE  33  -6.537  -8.956  -4.157
  240    HA   PRO  34           HA       PRO  34  -5.097  -1.165 -10.412
  241    HB2  PRO  34           2HB      PRO  34  -5.679  -1.574 -13.035
  242    HB3  PRO  34           1HB      PRO  34  -4.269  -2.297 -12.242
  243    HG2  PRO  34           2HG      PRO  34  -6.845  -3.532 -13.008
  244    HG3  PRO  34           1HG      PRO  34  -5.222  -4.236 -12.950
  245    HD2  PRO  34           2HD      PRO  34  -7.215  -4.579 -11.009
  246    HD3  PRO  34           1HD      PRO  34  -5.487  -4.927 -10.787
  247    H    GLN  35           H        GLN  35  -8.227  -2.428 -10.283
  248    HA   GLN  35           HA       GLN  35  -9.699  -0.539 -11.782
  249    HB2  GLN  35           2HB      GLN  35 -11.620  -1.360 -10.633
  250    HB3  GLN  35           1HB      GLN  35 -10.537  -2.739 -10.817
  251    HG2  GLN  35           2HG      GLN  35 -10.999  -2.956  -8.572
  252    HG3  GLN  35           1HG      GLN  35  -9.630  -1.851  -8.462
  253   HE21  GLN  35          1HE2      GLN  35 -13.078  -1.261  -9.352
  254   HE22  GLN  35          2HE2      GLN  35 -13.327  -0.070  -8.169
  255    H    TYR  36           H        TYR  36  -7.991  -0.273  -8.826
  256    HA   TYR  36           HA       TYR  36  -9.556   1.873  -7.711
  257    HB2  TYR  36           2HB      TYR  36  -6.845   0.721  -7.071
  258    HB3  TYR  36           1HB      TYR  36  -7.490   2.131  -6.230
  259    HD1  TYR  36           2HD      TYR  36 -10.017   1.856  -5.412
  260    HD2  TYR  36           1HD      TYR  36  -7.300  -1.385  -6.174
  261    HE1  TYR  36           2HE      TYR  36 -11.374   0.373  -3.957
  262    HE2  TYR  36           1HE      TYR  36  -8.657  -2.865  -4.722
  263    HH   TYR  36           HH       TYR  36 -10.559  -3.069  -3.575
  264    H    ALA  37           H        ALA  37  -6.156   1.834  -8.763
  265    HA   ALA  37           HA       ALA  37  -5.532   4.439  -8.913
  266    HB1  ALA  37           1HB      ALA  37  -4.957   2.359 -11.030
  267    HB2  ALA  37           2HB      ALA  37  -3.956   2.755  -9.633
  268    HB3  ALA  37           3HB      ALA  37  -4.154   3.925 -10.935
  269    H    GLN  38           H        GLN  38  -7.575   2.737 -11.231
  270    HA   GLN  38           HA       GLN  38  -7.872   4.614 -13.221
  271    HB2  GLN  38           2HB      GLN  38  -9.342   2.337 -12.235
  272    HB3  GLN  38           1HB      GLN  38 -10.457   3.607 -12.745
  273    HG2  GLN  38           2HG      GLN  38  -8.142   2.608 -14.427
  274    HG3  GLN  38           1HG      GLN  38  -9.803   2.044 -14.600
  275   HE21  GLN  38          1HE2      GLN  38 -11.062   4.649 -14.117
  276   HE22  GLN  38          2HE2      GLN  38 -10.718   5.619 -15.467
  277    H    LEU  39           H        LEU  39  -9.548   4.465 -10.101
  278    HA   LEU  39           HA       LEU  39 -11.321   6.594 -10.469
  279    HB2  LEU  39           2HB      LEU  39 -10.035   5.379  -8.036
  280    HB3  LEU  39           1HB      LEU  39 -11.104   6.770  -7.890
  281    HG   LEU  39           HG       LEU  39 -12.020   4.431  -9.524
  282   HD11  LEU  39          1HD1      LEU  39 -13.097   3.747  -7.179
  283   HD12  LEU  39          2HD1      LEU  39 -11.615   4.478  -6.564
  284   HD13  LEU  39          3HD1      LEU  39 -11.529   3.122  -7.689
  285   HD21  LEU  39          3HD2      LEU  39 -13.392   6.411  -7.672
  286   HD22  LEU  39          1HD2      LEU  39 -14.215   5.149  -8.588
  287   HD23  LEU  39          2HD2      LEU  39 -13.398   6.462  -9.435
  288    H    TYR  40           H        TYR  40  -7.896   6.589  -9.726
  289    HA   TYR  40           HA       TYR  40  -7.587   9.160  -8.676
  290    HB2  TYR  40           2HB      TYR  40  -5.797   7.388  -8.893
  291    HB3  TYR  40           1HB      TYR  40  -5.659   7.838 -10.592
  292    HD1  TYR  40           2HD      TYR  40  -5.774   9.470  -7.208
  293    HD2  TYR  40           1HD      TYR  40  -4.097   9.477 -11.162
  294    HE1  TYR  40           2HE      TYR  40  -4.310  11.370  -6.581
  295    HE2  TYR  40           1HE      TYR  40  -2.632  11.376 -10.536
  296    HH   TYR  40           HH       TYR  40  -1.797  12.200  -7.711
  297    H    GLU  41           H        GLU  41  -7.186   8.179 -12.091
  298    HA   GLU  41           HA       GLU  41  -6.804  10.586 -13.292
  299    HB2  GLU  41           2HB      GLU  41  -8.651   8.392 -14.268
  300    HB3  GLU  41           1HB      GLU  41  -7.983   9.682 -15.268
  301    HG2  GLU  41           2HG      GLU  41  -5.840   8.812 -15.210
  302    HG3  GLU  41           1HG      GLU  41  -6.086   8.034 -13.647
  303    H    ASP  42           H        ASP  42  -9.848   9.332 -12.025
  304    HA   ASP  42           HA       ASP  42 -11.329  11.663 -12.956
  305    HB2  ASP  42           2HB      ASP  42 -12.249   9.273 -12.859
  306    HB3  ASP  42           1HB      ASP  42 -12.343   9.503 -11.114
  307    H    SER  43           H        SER  43  -9.675  10.564 -10.131
  308    HA   SER  43           HA       SER  43  -9.115  11.748  -8.222
  309    HB2  SER  43           2HB      SER  43 -11.085  13.917  -8.738
  310    HB3  SER  43           1HB      SER  43  -9.436  14.015  -8.125
  311    HG   SER  43           HG       SER  43  -8.891  13.259 -10.369
  312    H    GLN  44           H        GLN  44 -11.504   9.943  -8.710
  313    HA   GLN  44           HA       GLN  44 -13.271  10.825  -6.530
  314    HB2  GLN  44           2HB      GLN  44 -13.564   8.640  -8.600
  315    HB3  GLN  44           1HB      GLN  44 -14.729   8.948  -7.313
  316    HG2  GLN  44           2HG      GLN  44 -13.934  11.321  -8.892
  317    HG3  GLN  44           1HG      GLN  44 -14.858  10.106  -9.774
  318   HE21  GLN  44          1HE2      GLN  44 -16.949   9.369  -8.621
  319   HE22  GLN  44          2HE2      GLN  44 -17.801  10.541  -7.737
  320    H    PHE  45           H        PHE  45 -10.530   9.773  -6.145
  321    HA   PHE  45           HA       PHE  45 -10.612   7.101  -5.209
  322    HB2  PHE  45           2HB      PHE  45  -8.703   9.246  -5.311
  323    HB3  PHE  45           1HB      PHE  45  -8.685   8.515  -3.707
  324    HD1  PHE  45           1HD      PHE  45  -8.691   7.611  -7.338
  325    HD2  PHE  45           2HD      PHE  45  -7.541   6.495  -3.356
  326    HE1  PHE  45           1HE      PHE  45  -7.432   5.677  -8.243
  327    HE2  PHE  45           2HE      PHE  45  -6.289   4.554  -4.261
  328    HZ   PHE  45           HZ       PHE  45  -6.238   4.143  -6.704
  329    HA   PRO  46           HA       PRO  46 -11.334   9.118  -0.902
  330    HB2  PRO  46           2HB      PRO  46 -13.050  11.418  -1.532
  331    HB3  PRO  46           1HB      PRO  46 -11.621  11.338  -0.486
  332    HG2  PRO  46           2HG      PRO  46 -11.653  12.599  -2.883
  333    HG3  PRO  46           1HG      PRO  46 -10.199  11.888  -2.168
  334    HD2  PRO  46           2HD      PRO  46 -11.894  10.861  -4.400
  335    HD3  PRO  46           1HD      PRO  46 -10.147  10.672  -4.127
  336    H    ILE  47           H        ILE  47 -12.694   7.601  -0.283
  337    HA   ILE  47           HA       ILE  47 -15.525   7.923  -0.362
  338    HB   ILE  47           HB       ILE  47 -15.860   5.650  -1.567
  339   HG12  ILE  47          2HG1      ILE  47 -13.466   6.323  -3.187
  340   HG13  ILE  47          1HG1      ILE  47 -13.161   5.589  -1.611
  341   HG21  ILE  47          1HG2      ILE  47 -16.459   6.734  -3.501
  342   HG22  ILE  47          2HG2      ILE  47 -14.957   7.644  -3.590
  343   HG23  ILE  47          3HG2      ILE  47 -16.234   8.150  -2.484
  344   HD11  ILE  47          3HD1      ILE  47 -14.670   3.728  -2.173
  345   HD12  ILE  47          1HD1      ILE  47 -13.392   3.870  -3.379
  346   HD13  ILE  47          2HD1      ILE  47 -15.012   4.467  -3.736
  347    H    ASN  48           H        ASN  48 -16.521   5.657   0.387
  348    HA   ASN  48           HA       ASN  48 -15.508   5.113   2.929
  349    HB2  ASN  48           2HB      ASN  48 -17.735   4.354   1.470
  350    HB3  ASN  48           1HB      ASN  48 -16.887   2.831   1.722
  351   HD21  ASN  48          1HD2      ASN  48 -15.997   2.677   4.165
  352   HD22  ASN  48          2HD2      ASN  48 -17.131   3.114   5.350
  353    H    ILE  49           H        ILE  49 -13.326   4.665   2.984
  354    HA   ILE  49           HA       ILE  49 -12.007   2.848   1.250
  355    HB   ILE  49           HB       ILE  49 -11.265   3.932   3.969
  356   HG12  ILE  49          2HG1      ILE  49 -10.143   4.538   1.215
  357   HG13  ILE  49          1HG1      ILE  49 -11.416   5.494   1.972
  358   HG21  ILE  49          1HG2      ILE  49  -9.981   1.897   2.217
  359   HG22  ILE  49          2HG2      ILE  49  -9.879   2.102   3.966
  360   HG23  ILE  49          3HG2      ILE  49  -8.915   3.123   2.902
  361   HD11  ILE  49          3HD1      ILE  49  -9.835   5.770   3.967
  362   HD12  ILE  49          1HD1      ILE  49  -9.367   6.615   2.493
  363   HD13  ILE  49          2HD1      ILE  49  -8.573   5.104   2.931
  364    H    VAL  50           H        VAL  50 -12.907   2.512   4.680
  365    HA   VAL  50           HA       VAL  50 -12.134  -0.078   5.125
  366    HB   VAL  50           HB       VAL  50 -12.916   1.143   6.977
  367   HG11  VAL  50          1HG1      VAL  50 -15.566   1.404   5.520
  368   HG12  VAL  50          2HG1      VAL  50 -14.380   2.695   5.727
  369   HG13  VAL  50          3HG1      VAL  50 -15.213   2.029   7.130
  370   HG21  VAL  50          3HG2      VAL  50 -13.641  -1.361   6.705
  371   HG22  VAL  50          1HG2      VAL  50 -15.262  -0.689   6.539
  372   HG23  VAL  50          2HG2      VAL  50 -14.337  -0.406   8.014
  373    H    ALA  51           H        ALA  51 -15.237   0.968   3.698
  374    HA   ALA  51           HA       ALA  51 -16.281  -1.685   3.517
  375    HB1  ALA  51           1HB      ALA  51 -18.173  -0.699   2.642
  376    HB2  ALA  51           2HB      ALA  51 -17.256   0.511   1.742
  377    HB3  ALA  51           3HB      ALA  51 -17.471   0.682   3.485
  378    H    VAL  52           H        VAL  52 -14.218   0.251   1.596
  379    HA   VAL  52           HA       VAL  52 -14.689  -1.049  -0.898
  380    HB   VAL  52           HB       VAL  52 -13.109   1.107   0.157
  381   HG11  VAL  52          1HG1      VAL  52 -11.190   0.899  -1.401
  382   HG12  VAL  52          2HG1      VAL  52 -11.659  -0.766  -1.723
  383   HG13  VAL  52          3HG1      VAL  52 -11.157  -0.281  -0.099
  384   HG21  VAL  52          3HG2      VAL  52 -13.860   0.265  -2.645
  385   HG22  VAL  52          1HG2      VAL  52 -13.263   1.858  -2.181
  386   HG23  VAL  52          2HG2      VAL  52 -14.817   1.285  -1.568
  387    H    LYS  53           H        LYS  53 -12.128  -1.327   1.557
  388    HA   LYS  53           HA       LYS  53 -10.621  -3.350   0.353
  389    HB2  LYS  53           2HB      LYS  53 -10.797  -3.678   3.231
  390    HB3  LYS  53           1HB      LYS  53  -9.417  -3.222   2.234
  391    HG2  LYS  53           2HG      LYS  53 -10.402  -0.902   2.083
  392    HG3  LYS  53           1HG      LYS  53 -11.588  -1.398   3.288
  393    HD2  LYS  53           2HD      LYS  53  -8.594  -1.585   3.708
  394    HD3  LYS  53           1HD      LYS  53  -9.562  -0.210   4.230
  395    HE2  LYS  53           2HE      LYS  53 -10.935  -2.457   5.213
  396    HE3  LYS  53           1HE      LYS  53  -9.231  -2.803   5.497
  397    HZ1  LYS  53           3HZ      LYS  53  -9.183  -1.321   7.117
  398    HZ2  LYS  53           1HZ      LYS  53 -10.860  -1.123   6.957
  399    HZ3  LYS  53           2HZ      LYS  53  -9.802  -0.104   6.106
  400    H    ASN  54           H        ASN  54 -13.596  -3.485   2.142
  401    HA   ASN  54           HA       ASN  54 -13.549  -6.405   2.286
  402    HB2  ASN  54           2HB      ASN  54 -15.687  -4.456   3.169
  403    HB3  ASN  54           1HB      ASN  54 -15.633  -6.179   3.537
  404   HD21  ASN  54          1HD2      ASN  54 -13.131  -3.572   3.660
  405   HD22  ASN  54          2HD2      ASN  54 -12.678  -3.894   5.264
  406    H    ASP  55           H        ASP  55 -15.521  -3.846   0.840
  407    HA   ASP  55           HA       ASP  55 -17.305  -5.553  -0.539
  408    HB2  ASP  55           2HB      ASP  55 -17.781  -3.177  -0.127
  409    HB3  ASP  55           1HB      ASP  55 -16.478  -2.725  -1.226
  410    H    HIS  56           H        HIS  56 -14.775  -3.514  -2.017
  411    HA   HIS  56           HA       HIS  56 -14.804  -4.880  -4.485
  412    HB2  HIS  56           2HB      HIS  56 -13.088  -2.847  -3.180
  413    HB3  HIS  56           1HB      HIS  56 -12.372  -3.744  -4.518
  414    HD2  HIS  56           2HD      HIS  56 -15.250  -1.145  -3.903
  415    HE1  HIS  56           1HE      HIS  56 -14.920  -1.776  -8.066
  416    HE2  HIS  56           2HE      HIS  56 -16.034  -0.365  -6.270
  417    H    ASP  57           H        ASP  57 -11.975  -4.760  -2.323
  418    HA   ASP  57           HA       ASP  57 -10.860  -7.138  -3.421
  419    HB2  ASP  57           2HB      ASP  57 -10.100  -5.956  -0.759
  420    HB3  ASP  57           1HB      ASP  57  -9.082  -6.823  -1.906
  421    H    PHE  58           H        PHE  58 -13.518  -7.631  -2.461
  422    HA   PHE  58           HA       PHE  58 -14.734  -8.952  -0.978
  423    HB2  PHE  58           2HB      PHE  58 -13.347 -11.277  -0.872
  424    HB3  PHE  58           1HB      PHE  58 -14.302 -10.772  -2.263
  425    HD1  PHE  58           2HD      PHE  58 -13.077  -9.260  -4.019
  426    HD2  PHE  58           1HD      PHE  58 -11.065 -11.734  -1.141
  427    HE1  PHE  58           2HE      PHE  58 -11.025  -9.213  -5.413
  428    HE2  PHE  58           1HE      PHE  58  -9.015 -11.689  -2.535
  429    HZ   PHE  58           HZ       PHE  58  -8.994 -10.427  -4.670
  430    H    LEU  59           H        LEU  59 -11.677 -10.426  -0.056
  431    HA   LEU  59           HA       LEU  59 -11.482  -9.028   2.449
  432    HB2  LEU  59           2HB      LEU  59 -13.163 -11.343   2.314
  433    HB3  LEU  59           1HB      LEU  59 -11.760 -11.706   3.313
  434    HG   LEU  59           HG       LEU  59 -13.495  -9.240   3.637
  435   HD11  LEU  59          1HD1      LEU  59 -14.358 -10.375   5.656
  436   HD12  LEU  59          2HD1      LEU  59 -13.418 -11.810   5.248
  437   HD13  LEU  59          3HD1      LEU  59 -14.738 -11.295   4.200
  438   HD21  LEU  59          3HD2      LEU  59 -11.873  -8.529   5.031
  439   HD22  LEU  59          1HD2      LEU  59 -10.891  -9.919   4.566
  440   HD23  LEU  59          2HD2      LEU  59 -11.978 -10.030   5.951
  441    H    GLU  60           H        GLU  60  -9.361  -8.802   2.521
  442    HA   GLU  60           HA       GLU  60  -7.669 -11.188   2.405
  443    HB2  GLU  60           2HB      GLU  60  -6.780  -8.764   0.869
  444    HB3  GLU  60           1HB      GLU  60  -6.258 -10.440   0.711
  445    HG2  GLU  60           2HG      GLU  60  -8.520 -11.022  -0.155
  446    HG3  GLU  60           1HG      GLU  60  -8.952  -9.315  -0.093
  447    H    LYS  61           H        LYS  61  -8.035 -10.346   4.741
  448    HA   LYS  61           HA       LYS  61  -7.109  -8.152   5.950
  449    HB2  LYS  61           2HB      LYS  61  -7.338 -10.905   6.696
  450    HB3  LYS  61           1HB      LYS  61  -5.850 -10.254   7.383
  451    HG2  LYS  61           2HG      LYS  61  -8.549  -8.889   7.617
  452    HG3  LYS  61           1HG      LYS  61  -7.875  -9.950   8.853
  453    HD2  LYS  61           2HD      LYS  61  -6.471  -8.350   9.608
  454    HD3  LYS  61           1HD      LYS  61  -5.963  -7.919   7.977
  455    HE2  LYS  61           2HE      LYS  61  -8.640  -7.086   9.112
  456    HE3  LYS  61           1HE      LYS  61  -7.191  -6.095   9.278
  457    HZ1  LYS  61           3HZ      LYS  61  -8.293  -5.356   7.351
  458    HZ2  LYS  61           1HZ      LYS  61  -8.538  -6.934   6.778
  459    HZ3  LYS  61           2HZ      LYS  61  -6.972  -6.275   6.802
  460    H    ASP  62           H        ASP  62  -5.117 -10.366   4.154
  461    HA   ASP  62           HA       ASP  62  -2.626  -9.246   5.168
  462    HB2  ASP  62           2HB      ASP  62  -1.798 -11.192   4.436
  463    HB3  ASP  62           1HB      ASP  62  -3.392 -11.629   3.821
  464    H    LEU  63           H        LEU  63  -4.376  -9.344   2.075
  465    HA   LEU  63           HA       LEU  63  -2.608  -7.335   0.921
  466    HB2  LEU  63           2HB      LEU  63  -4.329  -9.375  -0.078
  467    HB3  LEU  63           1HB      LEU  63  -4.886  -7.834  -0.728
  468    HG   LEU  63           HG       LEU  63  -2.018  -8.825  -0.816
  469   HD11  LEU  63          1HD1      LEU  63  -4.327  -9.316  -2.524
  470   HD12  LEU  63          2HD1      LEU  63  -2.727 -10.057  -2.568
  471   HD13  LEU  63          3HD1      LEU  63  -3.017  -8.534  -3.410
  472   HD21  LEU  63          3HD2      LEU  63  -2.280  -6.863  -2.707
  473   HD22  LEU  63          1HD2      LEU  63  -1.658  -6.587  -1.082
  474   HD23  LEU  63          2HD2      LEU  63  -3.350  -6.257  -1.446
  475    H    VAL  64           H        VAL  64  -5.156  -7.208   2.987
  476    HA   VAL  64           HA       VAL  64  -6.485  -4.897   1.799
  477    HB   VAL  64           HB       VAL  64  -6.977  -6.675   4.151
  478   HG11  VAL  64          1HG1      VAL  64  -7.884  -3.813   3.855
  479   HG12  VAL  64          2HG1      VAL  64  -7.233  -4.617   5.282
  480   HG13  VAL  64          3HG1      VAL  64  -8.863  -4.994   4.723
  481   HG21  VAL  64          3HG2      VAL  64  -7.967  -6.996   1.835
  482   HG22  VAL  64          1HG2      VAL  64  -8.852  -5.492   2.088
  483   HG23  VAL  64          2HG2      VAL  64  -9.150  -6.877   3.137
  484    H    GLU  65           H        GLU  65  -4.120  -5.659   4.254
  485    HA   GLU  65           HA       GLU  65  -4.203  -3.288   5.750
  486    HB2  GLU  65           2HB      GLU  65  -2.317  -5.502   5.374
  487    HB3  GLU  65           1HB      GLU  65  -1.547  -3.970   5.790
  488    HG2  GLU  65           2HG      GLU  65  -3.938  -5.037   7.297
  489    HG3  GLU  65           1HG      GLU  65  -2.282  -5.425   7.758
  490    HA   PRO  66           HA       PRO  66  -0.779  -1.410   2.907
  491    HB2  PRO  66           2HB      PRO  66  -0.478  -2.658   0.446
  492    HB3  PRO  66           1HB      PRO  66   0.576  -2.920   1.848
  493    HG2  PRO  66           2HG      PRO  66  -1.684  -4.570   0.844
  494    HG3  PRO  66           1HG      PRO  66  -0.134  -5.076   1.538
  495    HD2  PRO  66           2HD      PRO  66  -2.414  -5.152   2.978
  496    HD3  PRO  66           1HD      PRO  66  -0.851  -4.761   3.724
  497    H    LEU  67           H        LEU  67  -3.471  -3.024   1.254
  498    HA   LEU  67           HA       LEU  67  -3.971  -1.165  -0.763
  499    HB2  LEU  67           2HB      LEU  67  -5.059  -3.418  -0.496
  500    HB3  LEU  67           1HB      LEU  67  -6.074  -2.713   0.762
  501    HG   LEU  67           HG       LEU  67  -6.211  -0.924  -1.411
  502   HD11  LEU  67          1HD1      LEU  67  -6.687  -3.776  -2.320
  503   HD12  LEU  67          2HD1      LEU  67  -5.270  -2.826  -2.769
  504   HD13  LEU  67          3HD1      LEU  67  -6.876  -2.310  -3.283
  505   HD21  LEU  67          3HD2      LEU  67  -8.001  -1.505   0.219
  506   HD22  LEU  67          1HD2      LEU  67  -8.163  -3.084  -0.548
  507   HD23  LEU  67          2HD2      LEU  67  -8.567  -1.622  -1.447
  508    H    CYS  68           H        CYS  68  -5.241  -1.272   2.560
  509    HA   CYS  68           HA       CYS  68  -6.874   1.026   2.350
  510    HB2  CYS  68           2HB      CYS  68  -7.376   0.588   4.509
  511    HB3  CYS  68           1HB      CYS  68  -6.429  -0.881   4.273
  512    HG   CYS  68           HG       CYS  68  -5.255   1.736   5.527
  513    H    ARG  69           H        ARG  69  -3.459   0.605   2.776
  514    HA   ARG  69           HA       ARG  69  -2.903   3.176   3.897
  515    HB2  ARG  69           2HB      ARG  69  -1.434   0.837   3.215
  516    HB3  ARG  69           1HB      ARG  69  -0.680   2.200   2.389
  517    HG2  ARG  69           2HG      ARG  69   0.304   1.976   4.606
  518    HG3  ARG  69           1HG      ARG  69  -0.665   3.450   4.551
  519    HD2  ARG  69           2HD      ARG  69  -1.911   2.704   6.259
  520    HD3  ARG  69           1HD      ARG  69  -2.380   1.298   5.310
  521    HE   ARG  69           HE       ARG  69   0.237   1.093   6.548
  522   HH11  ARG  69          1HH2      ARG  69  -3.175   0.584   6.818
  523   HH12  ARG  69          2HH2      ARG  69  -3.035  -0.657   8.016
  524   HH21  ARG  69          1HH1      ARG  69   0.429  -0.535   8.118
  525   HH22  ARG  69          2HH1      ARG  69  -0.994  -1.291   8.753
  526    H    ARG  70           H        ARG  70  -2.796   1.848   0.600
  527    HA   ARG  70           HA       ARG  70  -1.873   4.217  -0.649
  528    HB2  ARG  70           2HB      ARG  70  -3.615   2.107  -1.930
  529    HB3  ARG  70           1HB      ARG  70  -2.453   3.163  -2.721
  530    HG2  ARG  70           2HG      ARG  70  -1.913   0.819  -0.905
  531    HG3  ARG  70           1HG      ARG  70  -1.335   1.083  -2.544
  532    HD2  ARG  70           2HD      ARG  70  -0.084   3.119  -1.606
  533    HD3  ARG  70           1HD      ARG  70  -0.443   2.467  -0.011
  534    HE   ARG  70           HE       ARG  70   1.424   1.374  -1.958
  535   HH11  ARG  70          1HH2      ARG  70  -0.466   0.905   0.903
  536   HH12  ARG  70          2HH2      ARG  70   0.492  -0.413   1.487
  537   HH21  ARG  70          1HH1      ARG  70   2.681  -0.360  -1.203
  538   HH22  ARG  70          2HH1      ARG  70   2.275  -1.131   0.295
  539    H    LEU  71           H        LEU  71  -5.165   2.823  -0.843
  540    HA   LEU  71           HA       LEU  71  -6.465   4.944  -1.969
  541    HB2  LEU  71           2HB      LEU  71  -7.522   3.223   0.288
  542    HB3  LEU  71           1HB      LEU  71  -8.505   4.182  -0.816
  543    HG   LEU  71           HG       LEU  71  -6.556   2.178  -1.926
  544   HD11  LEU  71          1HD1      LEU  71  -9.146   1.637  -0.520
  545   HD12  LEU  71          2HD1      LEU  71  -7.662   0.689  -0.529
  546   HD13  LEU  71          3HD1      LEU  71  -8.728   0.669  -1.933
  547   HD21  LEU  71          3HD2      LEU  71  -8.245   3.975  -3.111
  548   HD22  LEU  71          1HD2      LEU  71  -9.278   2.550  -3.035
  549   HD23  LEU  71          2HD2      LEU  71  -7.727   2.471  -3.870
  550    H    ASN  72           H        ASN  72  -5.806   4.496   1.496
  551    HA   ASN  72           HA       ASN  72  -7.032   6.809   2.456
  552    HB2  ASN  72           2HB      ASN  72  -6.228   5.162   4.006
  553    HB3  ASN  72           1HB      ASN  72  -4.575   5.340   3.424
  554   HD21  ASN  72          1HD2      ASN  72  -7.161   7.569   4.628
  555   HD22  ASN  72          2HD2      ASN  72  -6.121   8.444   5.647
  556    H    THR  73           H        THR  73  -3.930   6.357   0.876
  557    HA   THR  73           HA       THR  73  -2.884   8.948   1.475
  558    HB   THR  73           HB       THR  73  -2.149   7.232  -0.900
  559    HG1  THR  73           1HG      THR  73  -1.143   5.930   0.416
  560   HG21  THR  73          3HG2      THR  73  -0.306   8.558  -1.063
  561   HG22  THR  73          1HG2      THR  73  -0.140   8.709   0.685
  562   HG23  THR  73          2HG2      THR  73  -1.296   9.720  -0.180
  563    H    LEU  74           H        LEU  74  -4.025   7.609  -1.634
  564    HA   LEU  74           HA       LEU  74  -4.164  10.014  -3.029
  565    HB2  LEU  74           2HB      LEU  74  -5.269   7.310  -3.337
  566    HB3  LEU  74           1HB      LEU  74  -6.249   8.571  -4.084
  567    HG   LEU  74           HG       LEU  74  -4.348   9.379  -5.352
  568   HD11  LEU  74          1HD1      LEU  74  -2.364   9.174  -4.273
  569   HD12  LEU  74          2HD1      LEU  74  -2.293   7.590  -5.046
  570   HD13  LEU  74          3HD1      LEU  74  -2.884   7.739  -3.390
  571   HD21  LEU  74          3HD2      LEU  74  -4.368   6.351  -5.486
  572   HD22  LEU  74          1HD2      LEU  74  -3.972   7.469  -6.792
  573   HD23  LEU  74          2HD2      LEU  74  -5.622   7.374  -6.182
  574    H    ASN  75           H        ASN  75  -6.786   8.342  -1.280
  575    HA   ASN  75           HA       ASN  75  -8.892  10.011  -1.679
  576    HB2  ASN  75           2HB      ASN  75  -8.024   8.773   0.941
  577    HB3  ASN  75           1HB      ASN  75  -9.619   9.459   0.644
  578   HD21  ASN  75          1HD2      ASN  75 -10.370   7.151   1.089
  579   HD22  ASN  75          2HD2      ASN  75 -10.330   6.043  -0.191
  580    H    LYS  76           H        LYS  76  -5.973  10.713   0.059
  581    HA   LYS  76           HA       LYS  76  -7.066  13.179   1.196
  582    HB2  LYS  76           2HB      LYS  76  -4.935  11.377   1.865
  583    HB3  LYS  76           1HB      LYS  76  -4.276  12.998   1.647
  584    HG2  LYS  76           2HG      LYS  76  -4.976  12.721   3.965
  585    HG3  LYS  76           1HG      LYS  76  -6.042  13.880   3.173
  586    HD2  LYS  76           2HD      LYS  76  -7.809  12.599   3.721
  587    HD3  LYS  76           1HD      LYS  76  -7.148  11.296   2.733
  588    HE2  LYS  76           2HE      LYS  76  -5.724  10.619   4.686
  589    HE3  LYS  76           1HE      LYS  76  -6.562  11.827   5.659
  590    HZ1  LYS  76           3HZ      LYS  76  -8.259  10.008   4.165
  591    HZ2  LYS  76           1HZ      LYS  76  -8.426  10.597   5.747
  592    HZ3  LYS  76           2HZ      LYS  76  -7.368   9.305   5.430
  593    H    CYS  77           H        CYS  77  -4.705  12.095  -1.198
  594    HA   CYS  77           HA       CYS  77  -3.890  14.802  -1.843
  595    HB2  CYS  77           2HB      CYS  77  -2.372  12.782  -1.940
  596    HB3  CYS  77           1HB      CYS  77  -3.267  12.273  -3.371
  597    HG   CYS  77           HG       CYS  77  -2.522  14.995  -4.033
  598    H    ALA  78           H        ALA  78  -6.468  12.803  -2.692
  599    HA   ALA  78           HA       ALA  78  -6.775  13.669  -5.424
  600    HB1  ALA  78           1HB      ALA  78  -7.882  11.685  -5.218
  601    HB2  ALA  78           2HB      ALA  78  -9.223  12.739  -4.771
  602    HB3  ALA  78           3HB      ALA  78  -8.264  11.953  -3.517
  603    H    SER  79           H        SER  79  -7.084  15.261  -2.560
  604    HA   SER  79           HA       SER  79  -9.529  16.713  -3.098
  605    HB2  SER  79           2HB      SER  79  -7.443  17.658  -1.167
  606    HB3  SER  79           1HB      SER  79  -9.197  17.745  -1.045
  607    HG   SER  79           HG       SER  79  -8.956  16.008   0.119
  608    H    MET  80           H        MET  80  -6.058  17.238  -3.471
  609    HA   MET  80           HA       MET  80  -4.871  19.010  -4.373
  610    HB2  MET  80           2HB      MET  80  -7.138  19.022  -6.370
  611    HB3  MET  80           1HB      MET  80  -5.448  19.444  -6.648
  612    HG2  MET  80           2HG      MET  80  -5.168  16.922  -5.670
  613    HG3  MET  80           1HG      MET  80  -6.725  16.777  -6.486
  614    HE1  MET  80           3HE      MET  80  -3.348  15.644  -7.296
  615    HE2  MET  80           1HE      MET  80  -4.101  15.164  -8.822
  616    HE3  MET  80           2HE      MET  80  -4.978  14.974  -7.306
  617    H    LYS  81           H        LYS  81  -5.374  20.426  -2.553
  618    HA   LYS  81           HA       LYS  81  -7.568  22.283  -2.756
  619    HB2  LYS  81           2HB      LYS  81  -5.206  22.815  -1.007
  620    HB3  LYS  81           1HB      LYS  81  -6.925  23.028  -0.672
  621    HG2  LYS  81           2HG      LYS  81  -7.004  20.408  -0.896
  622    HG3  LYS  81           1HG      LYS  81  -5.274  20.521  -0.567
  623    HD2  LYS  81           2HD      LYS  81  -7.486  21.658   1.171
  624    HD3  LYS  81           1HD      LYS  81  -6.522  20.226   1.531
  625    HE2  LYS  81           2HE      LYS  81  -5.315  21.802   2.713
  626    HE3  LYS  81           1HE      LYS  81  -4.506  21.927   1.151
  627    HZ1  LYS  81           3HZ      LYS  81  -5.608  23.870   0.639
  628    HZ2  LYS  81           1HZ      LYS  81  -5.348  24.054   2.305
  629    HZ3  LYS  81           2HZ      LYS  81  -6.876  23.579   1.732